USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 901 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 111 LYS NZ :NH3+ -149:sc= -1.03 (180deg=-1.42) USER MOD Set 1.2: A 124 CYS SG : rot 180:sc= -0.753 USER MOD Set 2.1: A 41 GLN : amide:sc= -1.93 K(o=-0.95,f=-16!) USER MOD Set 2.2: A 42 THR OG1 : rot -27:sc= 0.973 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 164:sc= 0.0942 (180deg=-0.138) USER MOD Set 3.2: A 30 THR OG1 : rot -9:sc= 0.743 USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 10 SER OG : rot -170:sc= -1.45 USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= 0.58 (180deg=0.0368) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0337) USER MOD Single : A 22 SER OG : rot 117:sc= 1.88 USER MOD Single : A 25 CYS SG : rot -105:sc= -4.76! USER MOD Single : A 29 TYR OH : rot -120:sc= 0.742 USER MOD Single : A 37 HIS :FLIP no HD1:sc= -5.99! C(o=-6.5!,f=-6!) USER MOD Single : A 45 GLN : amide:sc= -2.86 K(o=-2.9,f=-3.6) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.14 F(o=-1.2,f=-0.14) USER MOD Single : A 48 CYS SG : rot -140:sc= -0.282 USER MOD Single : A 53 SER OG : rot 68:sc= 1.01! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -3.44! C(o=-3.4!,f=-7.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.105 K(o=-0.1,f=-2.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.0653 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 173:sc=-0.00159 (180deg=-0.0352) USER MOD Single : A 104 ASN : amide:sc= -0.45 K(o=-0.45,f=-3.8!) USER MOD Single : A 107 CYS SG : rot -136:sc= -1.37 USER MOD Single : A 117 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.075) USER MOD Single : A 122 MET CE :methyl -129:sc= -2.87 (180deg=-6.96!) USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.727 2.589 -19.829 1.00 0.00 N ATOM 59 CA VAL A 4 2.237 3.721 -19.075 1.00 0.00 C ATOM 60 C VAL A 4 2.141 5.003 -19.893 1.00 0.00 C ATOM 61 O VAL A 4 2.367 5.002 -21.103 1.00 0.00 O ATOM 62 CB VAL A 4 3.703 3.506 -18.650 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.776 2.702 -17.362 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.495 2.825 -19.759 1.00 0.00 C ATOM 0 HA VAL A 4 1.621 3.810 -18.180 1.00 0.00 H new ATOM 0 HB VAL A 4 4.151 4.483 -18.467 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.819 2.561 -17.079 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.254 3.237 -16.569 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.307 1.730 -17.513 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.526 2.684 -19.436 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.049 1.856 -19.982 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.477 3.447 -20.654 1.00 0.00 H new ATOM 74 N VAL A 5 1.803 6.093 -19.220 1.00 0.00 N ATOM 75 CA VAL A 5 1.673 7.391 -19.872 1.00 0.00 C ATOM 76 C VAL A 5 3.029 8.080 -19.999 1.00 0.00 C ATOM 77 O VAL A 5 3.920 7.862 -19.178 1.00 0.00 O ATOM 78 CB VAL A 5 0.710 8.316 -19.102 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.724 7.826 -19.237 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.115 8.413 -17.639 1.00 0.00 C ATOM 0 H VAL A 5 1.613 6.106 -18.218 1.00 0.00 H new ATOM 0 HA VAL A 5 1.267 7.205 -20.866 1.00 0.00 H new ATOM 0 HB VAL A 5 0.770 9.314 -19.536 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.389 8.492 -18.687 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.008 7.818 -20.289 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.804 6.817 -18.832 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.423 9.070 -17.113 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.088 7.421 -17.187 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.125 8.817 -17.567 1.00 0.00 H new ATOM 90 N PRO A 6 3.204 8.921 -21.039 1.00 0.00 N ATOM 91 CA PRO A 6 4.448 9.649 -21.292 1.00 0.00 C ATOM 92 C PRO A 6 5.152 10.076 -20.006 1.00 0.00 C ATOM 93 O PRO A 6 6.339 9.811 -19.822 1.00 0.00 O ATOM 94 CB PRO A 6 3.988 10.876 -22.094 1.00 0.00 C ATOM 95 CG PRO A 6 2.533 10.666 -22.404 1.00 0.00 C ATOM 96 CD PRO A 6 2.205 9.238 -22.058 1.00 0.00 C ATOM 0 HA PRO A 6 5.179 9.032 -21.815 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.134 11.791 -21.520 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.568 10.979 -23.011 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.914 11.353 -21.828 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.332 10.863 -23.457 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.189 9.136 -21.676 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.287 8.582 -22.924 1.00 0.00 H new ATOM 104 N ASP A 7 4.409 10.722 -19.113 1.00 0.00 N ATOM 105 CA ASP A 7 4.956 11.165 -17.846 1.00 0.00 C ATOM 106 C ASP A 7 4.072 10.672 -16.709 1.00 0.00 C ATOM 107 O ASP A 7 3.154 11.357 -16.265 1.00 0.00 O ATOM 108 CB ASP A 7 5.081 12.688 -17.818 1.00 0.00 C ATOM 109 CG ASP A 7 6.187 13.194 -18.724 1.00 0.00 C ATOM 110 OD1 ASP A 7 7.259 12.556 -18.765 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.980 14.229 -19.393 1.00 0.00 O ATOM 0 H ASP A 7 3.424 10.949 -19.249 1.00 0.00 H new ATOM 0 HA ASP A 7 5.955 10.747 -17.722 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.134 13.133 -18.122 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.274 13.015 -16.796 1.00 0.00 H new ATOM 116 N GLN A 8 4.358 9.465 -16.252 1.00 0.00 N ATOM 117 CA GLN A 8 3.599 8.849 -15.171 1.00 0.00 C ATOM 118 C GLN A 8 3.667 9.723 -13.933 1.00 0.00 C ATOM 119 O GLN A 8 2.656 9.975 -13.277 1.00 0.00 O ATOM 120 CB GLN A 8 4.120 7.439 -14.862 1.00 0.00 C ATOM 121 CG GLN A 8 5.636 7.305 -14.901 1.00 0.00 C ATOM 122 CD GLN A 8 6.094 5.869 -14.736 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.463 5.145 -13.817 1.00 0.00 O flip ATOM 124 NE2 GLN A 8 7.004 5.413 -15.429 1.00 0.00 N flip ATOM 0 H GLN A 8 5.116 8.886 -16.614 1.00 0.00 H new ATOM 0 HA GLN A 8 2.560 8.757 -15.488 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.767 7.143 -13.874 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.687 6.740 -15.578 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.008 7.696 -15.848 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.072 7.916 -14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.462 6.004 -16.123 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.300 4.444 -15.309 1.00 0.00 H new ATOM 133 N ARG A 9 4.862 10.212 -13.640 1.00 0.00 N ATOM 134 CA ARG A 9 5.059 11.094 -12.505 1.00 0.00 C ATOM 135 C ARG A 9 4.313 12.393 -12.738 1.00 0.00 C ATOM 136 O ARG A 9 3.939 13.078 -11.790 1.00 0.00 O ATOM 137 CB ARG A 9 6.547 11.368 -12.285 1.00 0.00 C ATOM 138 CG ARG A 9 7.221 12.055 -13.461 1.00 0.00 C ATOM 139 CD ARG A 9 8.703 11.721 -13.527 1.00 0.00 C ATOM 140 NE ARG A 9 9.509 12.880 -13.905 1.00 0.00 N ATOM 141 CZ ARG A 9 9.852 13.851 -13.061 1.00 0.00 C ATOM 142 NH1 ARG A 9 9.459 13.809 -11.794 1.00 0.00 N ATOM 143 NH2 ARG A 9 10.589 14.869 -13.486 1.00 0.00 N ATOM 0 H ARG A 9 5.708 10.012 -14.173 1.00 0.00 H new ATOM 0 HA ARG A 9 4.669 10.610 -11.610 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.666 11.988 -11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.056 10.425 -12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.737 11.750 -14.388 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.094 13.134 -13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.034 11.350 -12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.862 10.918 -14.247 1.00 0.00 H new ATOM 0 HE ARG A 9 9.827 12.949 -14.872 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.891 13.030 -11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.725 14.556 -11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.893 14.908 -14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.852 15.613 -12.840 1.00 0.00 H new ATOM 157 N SER A 10 4.077 12.723 -14.005 1.00 0.00 N ATOM 158 CA SER A 10 3.348 13.943 -14.327 1.00 0.00 C ATOM 159 C SER A 10 1.920 13.843 -13.812 1.00 0.00 C ATOM 160 O SER A 10 1.323 14.841 -13.410 1.00 0.00 O ATOM 161 CB SER A 10 3.345 14.213 -15.835 1.00 0.00 C ATOM 162 OG SER A 10 4.492 14.951 -16.225 1.00 0.00 O ATOM 0 H SER A 10 4.374 12.173 -14.811 1.00 0.00 H new ATOM 0 HA SER A 10 3.853 14.777 -13.840 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.316 13.268 -16.377 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.445 14.764 -16.107 1.00 0.00 H new ATOM 0 HG SER A 10 4.391 15.246 -17.154 1.00 0.00 H new ATOM 168 N LYS A 11 1.383 12.627 -13.817 1.00 0.00 N ATOM 169 CA LYS A 11 0.028 12.397 -13.338 1.00 0.00 C ATOM 170 C LYS A 11 0.017 12.218 -11.836 1.00 0.00 C ATOM 171 O LYS A 11 -0.808 12.798 -11.142 1.00 0.00 O ATOM 172 CB LYS A 11 -0.594 11.182 -14.027 1.00 0.00 C ATOM 173 CG LYS A 11 -0.503 11.230 -15.544 1.00 0.00 C ATOM 174 CD LYS A 11 -1.416 12.299 -16.123 1.00 0.00 C ATOM 175 CE LYS A 11 -2.875 11.874 -16.068 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.794 13.046 -16.047 1.00 0.00 N ATOM 0 H LYS A 11 1.864 11.790 -14.146 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.572 13.273 -13.585 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.099 10.279 -13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.642 11.107 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.527 11.429 -15.842 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.772 10.258 -15.957 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.286 13.229 -15.570 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.133 12.500 -17.156 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.104 11.249 -16.931 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.043 11.265 -15.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.595 12.870 -16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.148 13.192 -15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.281 13.895 -16.360 1.00 0.00 H new ATOM 190 N PHE A 12 0.949 11.437 -11.329 1.00 0.00 N ATOM 191 CA PHE A 12 1.038 11.223 -9.908 1.00 0.00 C ATOM 192 C PHE A 12 1.418 12.534 -9.220 1.00 0.00 C ATOM 193 O PHE A 12 1.198 12.708 -8.021 1.00 0.00 O ATOM 194 CB PHE A 12 2.038 10.096 -9.616 1.00 0.00 C ATOM 195 CG PHE A 12 2.783 10.240 -8.325 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.899 11.047 -8.259 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.372 9.564 -7.188 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.600 11.186 -7.075 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.066 9.694 -5.999 1.00 0.00 C ATOM 200 CZ PHE A 12 4.184 10.508 -5.943 1.00 0.00 C ATOM 0 H PHE A 12 1.651 10.944 -11.881 1.00 0.00 H new ATOM 0 HA PHE A 12 0.073 10.910 -9.509 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.502 9.147 -9.607 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.759 10.048 -10.432 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.229 11.576 -9.141 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.500 8.928 -7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.471 11.823 -7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.737 9.163 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.731 10.614 -5.018 1.00 0.00 H new ATOM 210 N GLU A 13 1.995 13.458 -9.996 1.00 0.00 N ATOM 211 CA GLU A 13 2.409 14.755 -9.459 1.00 0.00 C ATOM 212 C GLU A 13 1.403 15.867 -9.764 1.00 0.00 C ATOM 213 O GLU A 13 1.293 16.831 -9.007 1.00 0.00 O ATOM 214 CB GLU A 13 3.783 15.149 -10.008 1.00 0.00 C ATOM 215 CG GLU A 13 4.916 14.275 -9.497 1.00 0.00 C ATOM 216 CD GLU A 13 5.919 15.047 -8.662 1.00 0.00 C ATOM 217 OE1 GLU A 13 6.545 15.983 -9.200 1.00 0.00 O ATOM 218 OE2 GLU A 13 6.078 14.715 -7.468 1.00 0.00 O ATOM 0 H GLU A 13 2.184 13.332 -10.990 1.00 0.00 H new ATOM 0 HA GLU A 13 2.459 14.640 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.758 15.098 -11.097 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.987 16.186 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.502 13.462 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.429 13.819 -10.344 1.00 0.00 H new ATOM 225 N ASN A 14 0.703 15.760 -10.892 1.00 0.00 N ATOM 226 CA ASN A 14 -0.248 16.798 -11.294 1.00 0.00 C ATOM 227 C ASN A 14 -1.700 16.443 -10.971 1.00 0.00 C ATOM 228 O ASN A 14 -2.524 17.333 -10.760 1.00 0.00 O ATOM 229 CB ASN A 14 -0.113 17.079 -12.791 1.00 0.00 C ATOM 230 CG ASN A 14 -0.797 18.368 -13.203 1.00 0.00 C ATOM 231 OD1 ASN A 14 -2.000 18.391 -13.460 1.00 0.00 O ATOM 232 ND2 ASN A 14 -0.030 19.451 -13.266 1.00 0.00 N ATOM 0 H ASN A 14 0.774 14.974 -11.539 1.00 0.00 H new ATOM 0 HA ASN A 14 0.000 17.687 -10.715 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.944 17.132 -13.054 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.540 16.249 -13.353 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.435 20.348 -13.536 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.963 19.386 -13.044 1.00 0.00 H new ATOM 239 N GLU A 15 -2.022 15.157 -10.947 1.00 0.00 N ATOM 240 CA GLU A 15 -3.393 14.732 -10.664 1.00 0.00 C ATOM 241 C GLU A 15 -3.814 15.136 -9.249 1.00 0.00 C ATOM 242 O GLU A 15 -3.041 15.007 -8.302 1.00 0.00 O ATOM 243 CB GLU A 15 -3.539 13.225 -10.865 1.00 0.00 C ATOM 244 CG GLU A 15 -3.831 12.835 -12.303 1.00 0.00 C ATOM 245 CD GLU A 15 -5.209 13.274 -12.760 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.204 12.851 -12.134 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.291 14.040 -13.743 1.00 0.00 O ATOM 0 H GLU A 15 -1.365 14.396 -11.117 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.056 15.238 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.622 12.732 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.342 12.857 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.078 13.278 -12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.746 11.753 -12.406 1.00 0.00 H new ATOM 254 N GLU A 16 -5.038 15.654 -9.128 1.00 0.00 N ATOM 255 CA GLU A 16 -5.568 16.118 -7.839 1.00 0.00 C ATOM 256 C GLU A 16 -5.682 14.995 -6.809 1.00 0.00 C ATOM 257 O GLU A 16 -4.838 14.885 -5.921 1.00 0.00 O ATOM 258 CB GLU A 16 -6.926 16.804 -8.025 1.00 0.00 C ATOM 259 CG GLU A 16 -7.849 16.101 -9.006 1.00 0.00 C ATOM 260 CD GLU A 16 -8.202 16.965 -10.202 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.877 17.998 -10.009 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.801 16.610 -11.330 1.00 0.00 O ATOM 0 H GLU A 16 -5.685 15.764 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.850 16.840 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.424 16.868 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.761 17.826 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.372 15.184 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.764 15.809 -8.491 1.00 0.00 H new ATOM 269 N PHE A 17 -6.720 14.160 -6.913 1.00 0.00 N ATOM 270 CA PHE A 17 -6.899 13.065 -5.968 1.00 0.00 C ATOM 271 C PHE A 17 -5.615 12.259 -5.882 1.00 0.00 C ATOM 272 O PHE A 17 -5.209 11.819 -4.810 1.00 0.00 O ATOM 273 CB PHE A 17 -8.083 12.178 -6.393 1.00 0.00 C ATOM 274 CG PHE A 17 -7.827 10.701 -6.259 1.00 0.00 C ATOM 275 CD1 PHE A 17 -7.005 10.050 -7.162 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.398 9.972 -5.228 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.756 8.695 -7.042 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.153 8.617 -5.102 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.331 7.978 -6.010 1.00 0.00 C ATOM 0 H PHE A 17 -7.439 14.223 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.125 13.469 -4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.953 12.440 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.334 12.399 -7.430 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.553 10.606 -7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.041 10.467 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.113 8.198 -7.754 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.604 8.059 -4.295 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.138 6.920 -5.913 1.00 0.00 H new ATOM 289 N PHE A 18 -4.988 12.073 -7.030 1.00 0.00 N ATOM 290 CA PHE A 18 -3.755 11.328 -7.122 1.00 0.00 C ATOM 291 C PHE A 18 -2.683 12.034 -6.302 1.00 0.00 C ATOM 292 O PHE A 18 -1.796 11.397 -5.745 1.00 0.00 O ATOM 293 CB PHE A 18 -3.365 11.266 -8.587 1.00 0.00 C ATOM 294 CG PHE A 18 -2.714 9.995 -9.001 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.471 9.615 -8.538 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.384 9.178 -9.880 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.903 8.425 -8.960 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.833 7.990 -10.305 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.589 7.612 -9.847 1.00 0.00 C ATOM 0 H PHE A 18 -5.323 12.436 -7.922 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.870 10.317 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.258 11.416 -9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.689 12.093 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.939 10.248 -7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.358 9.472 -10.243 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.072 8.132 -8.599 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.373 7.357 -10.994 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.150 6.683 -10.179 1.00 0.00 H new ATOM 309 N ARG A 19 -2.804 13.359 -6.210 1.00 0.00 N ATOM 310 CA ARG A 19 -1.879 14.164 -5.424 1.00 0.00 C ATOM 311 C ARG A 19 -2.310 14.123 -3.965 1.00 0.00 C ATOM 312 O ARG A 19 -1.590 13.620 -3.099 1.00 0.00 O ATOM 313 CB ARG A 19 -1.863 15.613 -5.916 1.00 0.00 C ATOM 314 CG ARG A 19 -0.803 15.890 -6.970 1.00 0.00 C ATOM 315 CD ARG A 19 0.286 16.814 -6.441 1.00 0.00 C ATOM 316 NE ARG A 19 1.561 16.119 -6.276 1.00 0.00 N ATOM 317 CZ ARG A 19 1.850 15.340 -5.236 1.00 0.00 C ATOM 318 NH1 ARG A 19 0.959 15.151 -4.271 1.00 0.00 N ATOM 319 NH2 ARG A 19 3.034 14.747 -5.161 1.00 0.00 N ATOM 0 H ARG A 19 -3.538 13.895 -6.673 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.874 13.757 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.843 15.859 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.698 16.274 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.357 14.950 -7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.269 16.341 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.416 17.651 -7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.026 17.231 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 19 2.270 16.238 -6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.047 15.604 -4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.187 14.553 -3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.723 14.888 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.256 14.150 -4.364 1.00 0.00 H new ATOM 333 N LYS A 20 -3.520 14.630 -3.709 1.00 0.00 N ATOM 334 CA LYS A 20 -4.085 14.629 -2.363 1.00 0.00 C ATOM 335 C LYS A 20 -3.883 13.262 -1.718 1.00 0.00 C ATOM 336 O LYS A 20 -3.723 13.148 -0.503 1.00 0.00 O ATOM 337 CB LYS A 20 -5.575 14.978 -2.410 1.00 0.00 C ATOM 338 CG LYS A 20 -5.862 16.354 -2.998 1.00 0.00 C ATOM 339 CD LYS A 20 -6.774 16.270 -4.214 1.00 0.00 C ATOM 340 CE LYS A 20 -8.198 16.687 -3.877 1.00 0.00 C ATOM 341 NZ LYS A 20 -8.787 15.842 -2.802 1.00 0.00 N ATOM 0 H LYS A 20 -4.124 15.045 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.573 15.383 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.097 14.224 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.982 14.932 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.325 16.984 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.924 16.832 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.385 16.910 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.775 15.250 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.205 17.731 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.817 16.619 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.793 16.080 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.696 14.839 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.284 16.016 -1.909 1.00 0.00 H new ATOM 355 N LEU A 21 -3.863 12.231 -2.560 1.00 0.00 N ATOM 356 CA LEU A 21 -3.649 10.869 -2.102 1.00 0.00 C ATOM 357 C LEU A 21 -2.155 10.567 -2.101 1.00 0.00 C ATOM 358 O LEU A 21 -1.642 9.923 -1.187 1.00 0.00 O ATOM 359 CB LEU A 21 -4.385 9.873 -3.000 1.00 0.00 C ATOM 360 CG LEU A 21 -5.920 9.907 -2.929 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.467 8.547 -2.523 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.414 10.986 -1.971 1.00 0.00 C ATOM 0 H LEU A 21 -3.994 12.319 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.044 10.770 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.085 10.054 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.052 8.868 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.290 10.152 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.555 8.591 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.164 7.799 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.074 8.275 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.504 10.980 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.028 10.789 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.064 11.961 -2.310 1.00 0.00 H new ATOM 374 N SER A 22 -1.458 11.069 -3.129 1.00 0.00 N ATOM 375 CA SER A 22 -0.009 10.883 -3.250 1.00 0.00 C ATOM 376 C SER A 22 0.714 11.335 -1.984 1.00 0.00 C ATOM 377 O SER A 22 1.888 11.028 -1.787 1.00 0.00 O ATOM 378 CB SER A 22 0.538 11.662 -4.447 1.00 0.00 C ATOM 379 OG SER A 22 1.943 11.831 -4.352 1.00 0.00 O ATOM 0 H SER A 22 -1.876 11.607 -3.888 1.00 0.00 H new ATOM 0 HA SER A 22 0.170 9.818 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.294 11.135 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.055 12.638 -4.501 1.00 0.00 H new ATOM 0 HG SER A 22 2.379 11.376 -5.103 1.00 0.00 H new ATOM 385 N ARG A 23 0.013 12.075 -1.132 1.00 0.00 N ATOM 386 CA ARG A 23 0.599 12.572 0.103 1.00 0.00 C ATOM 387 C ARG A 23 0.210 11.676 1.275 1.00 0.00 C ATOM 388 O ARG A 23 -0.338 10.590 1.080 1.00 0.00 O ATOM 389 CB ARG A 23 0.133 14.006 0.357 1.00 0.00 C ATOM 390 CG ARG A 23 0.050 14.852 -0.905 1.00 0.00 C ATOM 391 CD ARG A 23 1.328 15.643 -1.132 1.00 0.00 C ATOM 392 NE ARG A 23 2.474 14.771 -1.376 1.00 0.00 N ATOM 393 CZ ARG A 23 3.740 15.180 -1.323 1.00 0.00 C ATOM 394 NH1 ARG A 23 4.025 16.444 -1.034 1.00 0.00 N ATOM 395 NH2 ARG A 23 4.724 14.322 -1.559 1.00 0.00 N ATOM 0 H ARG A 23 -0.961 12.343 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 23 1.685 12.562 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.847 13.982 0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.817 14.482 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.138 14.208 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.794 15.537 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.194 16.312 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.527 16.268 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 23 2.294 13.792 -1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.272 17.108 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.997 16.752 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.510 13.350 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.694 14.635 -1.519 1.00 0.00 H new ATOM 409 N GLU A 24 0.517 12.124 2.489 1.00 0.00 N ATOM 410 CA GLU A 24 0.213 11.347 3.687 1.00 0.00 C ATOM 411 C GLU A 24 -0.963 11.936 4.459 1.00 0.00 C ATOM 412 O GLU A 24 -1.058 13.151 4.639 1.00 0.00 O ATOM 413 CB GLU A 24 1.442 11.279 4.596 1.00 0.00 C ATOM 414 CG GLU A 24 2.014 12.643 4.949 1.00 0.00 C ATOM 415 CD GLU A 24 2.972 12.588 6.122 1.00 0.00 C ATOM 416 OE1 GLU A 24 2.800 11.706 6.989 1.00 0.00 O ATOM 417 OE2 GLU A 24 3.896 13.426 6.173 1.00 0.00 O ATOM 0 H GLU A 24 0.974 13.018 2.669 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.063 10.343 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.175 10.757 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.214 10.686 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.532 13.051 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.197 13.326 5.184 1.00 0.00 H new ATOM 424 N CYS A 25 -1.854 11.061 4.920 1.00 0.00 N ATOM 425 CA CYS A 25 -3.022 11.483 5.683 1.00 0.00 C ATOM 426 C CYS A 25 -3.450 10.403 6.668 1.00 0.00 C ATOM 427 O CYS A 25 -2.730 9.432 6.895 1.00 0.00 O ATOM 428 CB CYS A 25 -4.178 11.832 4.745 1.00 0.00 C ATOM 429 SG CYS A 25 -4.908 10.406 3.911 1.00 0.00 S ATOM 0 H CYS A 25 -1.787 10.053 4.777 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.750 12.373 6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.954 12.342 5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.822 12.536 3.993 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.523 10.385 2.669 1.00 0.00 H new ATOM 435 N GLU A 26 -4.626 10.584 7.256 1.00 0.00 N ATOM 436 CA GLU A 26 -5.149 9.630 8.224 1.00 0.00 C ATOM 437 C GLU A 26 -5.906 8.496 7.542 1.00 0.00 C ATOM 438 O GLU A 26 -6.801 8.726 6.727 1.00 0.00 O ATOM 439 CB GLU A 26 -6.066 10.339 9.222 1.00 0.00 C ATOM 440 CG GLU A 26 -5.421 11.538 9.898 1.00 0.00 C ATOM 441 CD GLU A 26 -5.669 11.570 11.394 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.843 11.706 11.797 1.00 0.00 O ATOM 443 OE2 GLU A 26 -4.689 11.456 12.160 1.00 0.00 O ATOM 0 H GLU A 26 -5.235 11.383 7.079 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.300 9.198 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.968 10.666 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.378 9.626 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.347 11.520 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.807 12.454 9.450 1.00 0.00 H new ATOM 450 N ILE A 27 -5.546 7.268 7.892 1.00 0.00 N ATOM 451 CA ILE A 27 -6.198 6.088 7.334 1.00 0.00 C ATOM 452 C ILE A 27 -6.832 5.251 8.438 1.00 0.00 C ATOM 453 O ILE A 27 -6.535 5.438 9.618 1.00 0.00 O ATOM 454 CB ILE A 27 -5.216 5.208 6.536 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.062 4.752 7.430 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.696 5.960 5.321 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.181 3.702 6.789 1.00 0.00 C ATOM 0 H ILE A 27 -4.804 7.062 8.561 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.969 6.448 6.653 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.746 4.322 6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.452 5.617 7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.468 4.355 8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.004 5.325 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.532 6.232 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.179 6.863 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.384 3.425 7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.778 2.821 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.746 4.102 5.873 1.00 0.00 H new ATOM 469 N LYS A 28 -7.710 4.334 8.052 1.00 0.00 N ATOM 470 CA LYS A 28 -8.390 3.476 9.026 1.00 0.00 C ATOM 471 C LYS A 28 -8.639 2.081 8.459 1.00 0.00 C ATOM 472 O LYS A 28 -8.440 1.844 7.270 1.00 0.00 O ATOM 473 CB LYS A 28 -9.717 4.107 9.451 1.00 0.00 C ATOM 474 CG LYS A 28 -10.619 4.475 8.284 1.00 0.00 C ATOM 475 CD LYS A 28 -11.776 5.355 8.729 1.00 0.00 C ATOM 476 CE LYS A 28 -12.937 5.286 7.752 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.662 3.988 7.842 1.00 0.00 N ATOM 0 H LYS A 28 -7.970 4.162 7.081 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.740 3.380 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.247 3.413 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.512 5.003 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.037 4.995 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.008 3.567 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.112 5.043 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.436 6.387 8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.630 6.103 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.566 5.425 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.587 4.074 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.105 3.246 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.801 3.737 8.842 1.00 0.00 H new ATOM 491 N TYR A 29 -9.079 1.159 9.316 1.00 0.00 N ATOM 492 CA TYR A 29 -9.356 -0.207 8.883 1.00 0.00 C ATOM 493 C TYR A 29 -10.726 -0.287 8.222 1.00 0.00 C ATOM 494 O TYR A 29 -11.697 0.289 8.712 1.00 0.00 O ATOM 495 CB TYR A 29 -9.283 -1.177 10.061 1.00 0.00 C ATOM 496 CG TYR A 29 -8.985 -2.599 9.638 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.917 -2.878 8.795 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.771 -3.656 10.074 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.641 -4.173 8.398 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.500 -4.954 9.683 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.435 -5.206 8.845 1.00 0.00 C ATOM 502 OH TYR A 29 -8.163 -6.497 8.453 1.00 0.00 O ATOM 0 H TYR A 29 -9.250 1.333 10.306 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.596 -0.492 8.155 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.512 -0.841 10.754 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.229 -1.155 10.602 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.292 -2.070 8.444 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.607 -3.462 10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.808 -4.374 7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.120 -5.767 10.032 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.936 -6.864 7.975 1.00 0.00 H new ATOM 512 N THR A 30 -10.791 -0.991 7.096 1.00 0.00 N ATOM 513 CA THR A 30 -12.036 -1.129 6.354 1.00 0.00 C ATOM 514 C THR A 30 -11.925 -2.222 5.293 1.00 0.00 C ATOM 515 O THR A 30 -11.333 -2.016 4.233 1.00 0.00 O ATOM 516 CB THR A 30 -12.391 0.204 5.696 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.767 1.161 6.672 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.516 0.111 4.688 1.00 0.00 C ATOM 0 H THR A 30 -9.995 -1.474 6.679 1.00 0.00 H new ATOM 0 HA THR A 30 -12.824 -1.414 7.051 1.00 0.00 H new ATOM 0 HB THR A 30 -11.486 0.505 5.168 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.863 0.720 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.708 1.097 4.266 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.234 -0.577 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.417 -0.255 5.181 1.00 0.00 H new ATOM 526 N GLY A 31 -12.503 -3.376 5.587 1.00 0.00 N ATOM 527 CA GLY A 31 -12.472 -4.487 4.654 1.00 0.00 C ATOM 528 C GLY A 31 -13.359 -5.627 5.104 1.00 0.00 C ATOM 529 O GLY A 31 -14.323 -5.984 4.426 1.00 0.00 O ATOM 0 H GLY A 31 -12.996 -3.566 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.793 -4.144 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.448 -4.844 4.549 1.00 0.00 H new ATOM 533 N PHE A 32 -13.034 -6.190 6.260 1.00 0.00 N ATOM 534 CA PHE A 32 -13.802 -7.292 6.825 1.00 0.00 C ATOM 535 C PHE A 32 -14.068 -7.052 8.313 1.00 0.00 C ATOM 536 O PHE A 32 -14.518 -7.947 9.028 1.00 0.00 O ATOM 537 CB PHE A 32 -13.062 -8.622 6.618 1.00 0.00 C ATOM 538 CG PHE A 32 -11.565 -8.482 6.534 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.973 -7.924 5.414 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.755 -8.902 7.576 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.600 -7.789 5.332 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.377 -8.768 7.502 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.801 -8.211 6.378 1.00 0.00 C ATOM 0 H PHE A 32 -12.238 -5.899 6.828 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.760 -7.346 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.308 -9.295 7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.425 -9.090 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.592 -7.590 4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.202 -9.339 8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.152 -7.354 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.756 -9.098 8.321 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.728 -8.105 6.316 1.00 0.00 H new ATOM 553 N ARG A 33 -13.786 -5.832 8.769 1.00 0.00 N ATOM 554 CA ARG A 33 -13.987 -5.451 10.165 1.00 0.00 C ATOM 555 C ARG A 33 -15.447 -5.176 10.468 1.00 0.00 C ATOM 556 O ARG A 33 -15.831 -5.006 11.625 1.00 0.00 O ATOM 557 CB ARG A 33 -13.134 -4.223 10.498 1.00 0.00 C ATOM 558 CG ARG A 33 -13.875 -2.896 10.399 1.00 0.00 C ATOM 559 CD ARG A 33 -12.935 -1.755 10.048 1.00 0.00 C ATOM 560 NE ARG A 33 -13.158 -0.582 10.890 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.142 0.293 10.697 1.00 0.00 C ATOM 562 NH1 ARG A 33 -14.999 0.130 9.696 1.00 0.00 N ATOM 563 NH2 ARG A 33 -14.271 1.336 11.507 1.00 0.00 N ATOM 0 H ARG A 33 -13.414 -5.084 8.184 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.676 -6.289 10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.742 -4.332 11.509 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.277 -4.198 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.656 -2.970 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.369 -2.683 11.347 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.903 -2.089 10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.072 -1.481 9.002 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.522 -0.424 11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.905 -0.669 9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.751 0.804 9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.616 1.467 12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.025 2.007 11.359 1.00 0.00 H new ATOM 577 N ASP A 34 -16.257 -5.120 9.426 1.00 0.00 N ATOM 578 CA ASP A 34 -17.676 -4.850 9.586 1.00 0.00 C ATOM 579 C ASP A 34 -18.311 -5.770 10.631 1.00 0.00 C ATOM 580 O ASP A 34 -19.424 -5.507 11.088 1.00 0.00 O ATOM 581 CB ASP A 34 -18.397 -5.007 8.245 1.00 0.00 C ATOM 582 CG ASP A 34 -19.451 -3.941 8.026 1.00 0.00 C ATOM 583 OD1 ASP A 34 -19.195 -2.771 8.383 1.00 0.00 O ATOM 584 OD2 ASP A 34 -20.534 -4.275 7.500 1.00 0.00 O ATOM 0 H ASP A 34 -15.958 -5.258 8.461 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.780 -3.823 9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.667 -4.964 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.865 -5.991 8.200 1.00 0.00 H new ATOM 589 N ARG A 35 -17.613 -6.843 11.023 1.00 0.00 N ATOM 590 CA ARG A 35 -18.162 -7.753 12.026 1.00 0.00 C ATOM 591 C ARG A 35 -17.282 -7.822 13.287 1.00 0.00 C ATOM 592 O ARG A 35 -17.690 -7.328 14.338 1.00 0.00 O ATOM 593 CB ARG A 35 -18.420 -9.150 11.439 1.00 0.00 C ATOM 594 CG ARG A 35 -18.557 -9.168 9.922 1.00 0.00 C ATOM 595 CD ARG A 35 -17.207 -9.076 9.221 1.00 0.00 C ATOM 596 NE ARG A 35 -16.739 -10.385 8.770 1.00 0.00 N ATOM 597 CZ ARG A 35 -16.060 -10.587 7.642 1.00 0.00 C ATOM 598 NH1 ARG A 35 -15.749 -9.569 6.848 1.00 0.00 N ATOM 599 NH2 ARG A 35 -15.684 -11.814 7.309 1.00 0.00 N ATOM 0 H ARG A 35 -16.690 -7.096 10.669 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.125 -7.344 12.333 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.603 -9.811 11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.330 -9.556 11.881 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.062 -10.084 9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.186 -8.336 9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.286 -8.404 8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.473 -8.642 9.901 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.945 -11.194 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.030 -8.621 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.229 -9.735 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.915 -12.601 7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.164 -11.971 6.446 1.00 0.00 H new ATOM 613 N PRO A 36 -16.077 -8.438 13.235 1.00 0.00 N ATOM 614 CA PRO A 36 -15.203 -8.557 14.392 1.00 0.00 C ATOM 615 C PRO A 36 -14.011 -7.600 14.338 1.00 0.00 C ATOM 616 O PRO A 36 -12.880 -8.024 14.108 1.00 0.00 O ATOM 617 CB PRO A 36 -14.726 -9.989 14.225 1.00 0.00 C ATOM 618 CG PRO A 36 -14.548 -10.135 12.744 1.00 0.00 C ATOM 619 CD PRO A 36 -15.448 -9.103 12.085 1.00 0.00 C ATOM 0 HA PRO A 36 -15.697 -8.321 15.335 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.792 -10.165 14.760 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.454 -10.701 14.613 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.507 -9.975 12.463 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.814 -11.141 12.421 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.880 -8.402 11.474 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.187 -9.568 11.433 1.00 0.00 H new ATOM 627 N HIS A 37 -14.262 -6.313 14.545 1.00 0.00 N ATOM 628 CA HIS A 37 -13.195 -5.315 14.510 1.00 0.00 C ATOM 629 C HIS A 37 -12.116 -5.619 15.556 1.00 0.00 C ATOM 630 O HIS A 37 -10.931 -5.751 15.231 1.00 0.00 O ATOM 631 CB HIS A 37 -13.775 -3.917 14.732 1.00 0.00 C ATOM 632 CG HIS A 37 -12.777 -2.816 14.553 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.238 -2.267 13.431 1.00 0.00 N flip ATOM 634 CD2 HIS A 37 -12.217 -2.137 15.615 1.00 0.00 C flip ATOM 635 CE1 HIS A 37 -11.377 -1.281 13.842 1.00 0.00 C flip ATOM 636 NE2 HIS A 37 -11.383 -1.223 15.162 1.00 0.00 N flip ATOM 0 H HIS A 37 -15.190 -5.935 14.738 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.727 -5.353 13.527 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.602 -3.762 14.039 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.188 -3.861 15.739 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.429 -2.325 16.657 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.788 -0.652 13.190 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.835 -0.580 15.733 1.00 0.00 H new ATOM 645 N GLU A 38 -12.527 -5.736 16.814 1.00 0.00 N ATOM 646 CA GLU A 38 -11.589 -6.029 17.894 1.00 0.00 C ATOM 647 C GLU A 38 -10.776 -7.283 17.584 1.00 0.00 C ATOM 648 O GLU A 38 -9.646 -7.434 18.048 1.00 0.00 O ATOM 649 CB GLU A 38 -12.333 -6.200 19.219 1.00 0.00 C ATOM 650 CG GLU A 38 -12.831 -4.891 19.809 1.00 0.00 C ATOM 651 CD GLU A 38 -14.333 -4.881 20.026 1.00 0.00 C ATOM 652 OE1 GLU A 38 -15.074 -4.732 19.033 1.00 0.00 O ATOM 653 OE2 GLU A 38 -14.765 -5.022 21.189 1.00 0.00 O ATOM 0 H GLU A 38 -13.497 -5.633 17.111 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.903 -5.186 17.982 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.182 -6.867 19.066 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.672 -6.685 19.938 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.329 -4.712 20.760 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.558 -4.071 19.145 1.00 0.00 H new ATOM 660 N GLU A 39 -11.341 -8.158 16.761 1.00 0.00 N ATOM 661 CA GLU A 39 -10.653 -9.371 16.347 1.00 0.00 C ATOM 662 C GLU A 39 -9.795 -9.030 15.154 1.00 0.00 C ATOM 663 O GLU A 39 -8.674 -9.516 14.996 1.00 0.00 O ATOM 664 CB GLU A 39 -11.648 -10.473 15.986 1.00 0.00 C ATOM 665 CG GLU A 39 -11.229 -11.853 16.465 1.00 0.00 C ATOM 666 CD GLU A 39 -12.235 -12.928 16.098 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.450 -12.649 16.160 1.00 0.00 O ATOM 668 OE2 GLU A 39 -11.805 -14.048 15.748 1.00 0.00 O ATOM 0 H GLU A 39 -12.276 -8.048 16.367 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.040 -9.745 17.167 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.620 -10.228 16.415 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.774 -10.496 14.904 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.260 -12.105 16.034 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.101 -11.835 17.547 1.00 0.00 H new ATOM 675 N ARG A 40 -10.350 -8.155 14.328 1.00 0.00 N ATOM 676 CA ARG A 40 -9.689 -7.675 13.140 1.00 0.00 C ATOM 677 C ARG A 40 -8.315 -7.133 13.482 1.00 0.00 C ATOM 678 O ARG A 40 -7.424 -7.105 12.639 1.00 0.00 O ATOM 679 CB ARG A 40 -10.536 -6.588 12.499 1.00 0.00 C ATOM 680 CG ARG A 40 -11.557 -7.102 11.500 1.00 0.00 C ATOM 681 CD ARG A 40 -10.990 -8.177 10.591 1.00 0.00 C ATOM 682 NE ARG A 40 -11.258 -9.531 11.085 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.205 -10.335 10.603 1.00 0.00 C ATOM 684 NH1 ARG A 40 -13.037 -9.909 9.663 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.337 -11.564 11.080 1.00 0.00 N ATOM 0 H ARG A 40 -11.279 -7.760 14.471 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.567 -8.501 12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.057 -6.039 13.284 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.878 -5.879 11.997 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.417 -7.501 12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.918 -6.271 10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.416 -8.067 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.914 -8.036 10.495 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.681 -9.881 11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.955 -8.958 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.759 -10.532 9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.714 -11.895 11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.062 -12.179 10.711 1.00 0.00 H new ATOM 699 N GLN A 41 -8.140 -6.713 14.731 1.00 0.00 N ATOM 700 CA GLN A 41 -6.847 -6.191 15.161 1.00 0.00 C ATOM 701 C GLN A 41 -5.768 -7.238 14.898 1.00 0.00 C ATOM 702 O GLN A 41 -4.697 -6.933 14.364 1.00 0.00 O ATOM 703 CB GLN A 41 -6.877 -5.793 16.642 1.00 0.00 C ATOM 704 CG GLN A 41 -6.984 -6.963 17.607 1.00 0.00 C ATOM 705 CD GLN A 41 -5.633 -7.414 18.128 1.00 0.00 C ATOM 706 OE1 GLN A 41 -4.762 -7.822 17.359 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.452 -7.342 19.441 1.00 0.00 N ATOM 0 H GLN A 41 -8.862 -6.723 15.451 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.619 -5.291 14.589 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.973 -5.230 16.872 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.721 -5.123 16.808 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.617 -6.679 18.448 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.474 -7.798 17.107 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.201 -6.997 20.041 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.563 -7.631 19.850 1.00 0.00 H new ATOM 716 N THR A 42 -6.084 -8.484 15.235 1.00 0.00 N ATOM 717 CA THR A 42 -5.172 -9.594 15.006 1.00 0.00 C ATOM 718 C THR A 42 -5.343 -10.114 13.590 1.00 0.00 C ATOM 719 O THR A 42 -4.390 -10.594 12.977 1.00 0.00 O ATOM 720 CB THR A 42 -5.423 -10.718 16.015 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.277 -10.244 17.342 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.489 -11.896 15.842 1.00 0.00 C ATOM 0 H THR A 42 -6.968 -8.749 15.669 1.00 0.00 H new ATOM 0 HA THR A 42 -4.150 -9.239 15.138 1.00 0.00 H new ATOM 0 HB THR A 42 -6.443 -11.053 15.826 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.656 -9.486 17.352 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.720 -12.656 16.588 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.615 -12.316 14.844 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.458 -11.565 15.969 1.00 0.00 H new ATOM 730 N ARG A 43 -6.560 -10.000 13.061 1.00 0.00 N ATOM 731 CA ARG A 43 -6.823 -10.449 11.701 1.00 0.00 C ATOM 732 C ARG A 43 -6.046 -9.585 10.717 1.00 0.00 C ATOM 733 O ARG A 43 -5.544 -10.072 9.705 1.00 0.00 O ATOM 734 CB ARG A 43 -8.316 -10.394 11.397 1.00 0.00 C ATOM 735 CG ARG A 43 -9.009 -11.740 11.516 1.00 0.00 C ATOM 736 CD ARG A 43 -9.517 -11.979 12.928 1.00 0.00 C ATOM 737 NE ARG A 43 -9.930 -13.365 13.137 1.00 0.00 N ATOM 738 CZ ARG A 43 -9.097 -14.347 13.479 1.00 0.00 C ATOM 739 NH1 ARG A 43 -7.803 -14.102 13.644 1.00 0.00 N ATOM 740 NH2 ARG A 43 -9.560 -15.577 13.654 1.00 0.00 N ATOM 0 H ARG A 43 -7.366 -9.607 13.547 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.496 -11.484 11.601 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.791 -9.688 12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.459 -10.009 10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.843 -11.785 10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.316 -12.534 11.238 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.735 -11.723 13.642 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.359 -11.316 13.127 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.916 -13.595 13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.441 -13.158 13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.170 -14.858 13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.553 -15.771 13.527 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.923 -16.329 13.916 1.00 0.00 H new ATOM 754 N PHE A 44 -5.926 -8.301 11.043 1.00 0.00 N ATOM 755 CA PHE A 44 -5.184 -7.371 10.213 1.00 0.00 C ATOM 756 C PHE A 44 -3.694 -7.662 10.362 1.00 0.00 C ATOM 757 O PHE A 44 -2.987 -7.872 9.375 1.00 0.00 O ATOM 758 CB PHE A 44 -5.502 -5.927 10.615 1.00 0.00 C ATOM 759 CG PHE A 44 -4.301 -5.033 10.646 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.738 -4.569 9.471 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.733 -4.670 11.852 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.625 -3.754 9.498 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.618 -3.855 11.888 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.064 -3.396 10.709 1.00 0.00 C ATOM 0 H PHE A 44 -6.336 -7.885 11.879 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.473 -7.495 9.169 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.231 -5.517 9.917 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.969 -5.928 11.600 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.174 -4.847 8.523 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.165 -5.027 12.775 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.193 -3.397 8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.181 -3.578 12.836 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.193 -2.758 10.734 1.00 0.00 H new ATOM 774 N GLN A 45 -3.229 -7.694 11.614 1.00 0.00 N ATOM 775 CA GLN A 45 -1.828 -7.987 11.899 1.00 0.00 C ATOM 776 C GLN A 45 -1.464 -9.363 11.350 1.00 0.00 C ATOM 777 O GLN A 45 -0.327 -9.608 10.946 1.00 0.00 O ATOM 778 CB GLN A 45 -1.566 -7.933 13.407 1.00 0.00 C ATOM 779 CG GLN A 45 -0.383 -7.060 13.789 1.00 0.00 C ATOM 780 CD GLN A 45 0.062 -7.276 15.221 1.00 0.00 C ATOM 781 OE1 GLN A 45 -0.745 -7.602 16.092 1.00 0.00 O ATOM 782 NE2 GLN A 45 1.354 -7.095 15.474 1.00 0.00 N ATOM 0 H GLN A 45 -3.801 -7.521 12.440 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.206 -7.235 11.414 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.459 -7.560 13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.393 -8.945 13.774 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.450 -7.269 13.118 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.649 -6.012 13.649 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.988 -6.825 14.722 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.712 -7.226 16.420 1.00 0.00 H new ATOM 791 N ASN A 46 -2.458 -10.247 11.315 1.00 0.00 N ATOM 792 CA ASN A 46 -2.279 -11.596 10.790 1.00 0.00 C ATOM 793 C ASN A 46 -2.296 -11.552 9.269 1.00 0.00 C ATOM 794 O ASN A 46 -1.701 -12.395 8.600 1.00 0.00 O ATOM 795 CB ASN A 46 -3.380 -12.526 11.303 1.00 0.00 C ATOM 796 CG ASN A 46 -3.171 -13.964 10.869 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.471 -14.251 9.608 1.00 0.00 O flip ATOM 798 ND2 ASN A 46 -2.745 -14.807 11.658 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.402 -10.050 11.647 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.320 -11.985 11.132 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.413 -12.479 12.391 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.346 -12.176 10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.527 -14.542 12.619 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.610 -15.770 11.351 1.00 0.00 H new ATOM 805 N ALA A 47 -2.954 -10.528 8.736 1.00 0.00 N ATOM 806 CA ALA A 47 -3.021 -10.323 7.304 1.00 0.00 C ATOM 807 C ALA A 47 -1.675 -9.803 6.835 1.00 0.00 C ATOM 808 O ALA A 47 -1.237 -10.078 5.718 1.00 0.00 O ATOM 809 CB ALA A 47 -4.134 -9.349 6.947 1.00 0.00 C ATOM 0 H ALA A 47 -3.450 -9.825 9.284 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.247 -11.266 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.164 -9.211 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.089 -9.747 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.947 -8.390 7.430 1.00 0.00 H new ATOM 815 N CYS A 48 -1.001 -9.083 7.733 1.00 0.00 N ATOM 816 CA CYS A 48 0.325 -8.562 7.442 1.00 0.00 C ATOM 817 C CYS A 48 1.279 -9.730 7.251 1.00 0.00 C ATOM 818 O CYS A 48 2.315 -9.607 6.596 1.00 0.00 O ATOM 819 CB CYS A 48 0.809 -7.654 8.576 1.00 0.00 C ATOM 820 SG CYS A 48 1.371 -6.025 8.027 1.00 0.00 S ATOM 0 H CYS A 48 -1.354 -8.851 8.662 1.00 0.00 H new ATOM 0 HA CYS A 48 0.289 -7.965 6.531 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.001 -7.524 9.294 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.625 -8.150 9.102 1.00 0.00 H new ATOM 0 HG CYS A 48 2.430 -5.682 8.699 1.00 0.00 H new ATOM 826 N ARG A 49 0.899 -10.879 7.808 1.00 0.00 N ATOM 827 CA ARG A 49 1.697 -12.088 7.677 1.00 0.00 C ATOM 828 C ARG A 49 1.511 -12.668 6.276 1.00 0.00 C ATOM 829 O ARG A 49 2.388 -13.354 5.752 1.00 0.00 O ATOM 830 CB ARG A 49 1.306 -13.104 8.762 1.00 0.00 C ATOM 831 CG ARG A 49 1.224 -14.546 8.282 1.00 0.00 C ATOM 832 CD ARG A 49 0.839 -15.485 9.413 1.00 0.00 C ATOM 833 NE ARG A 49 1.066 -16.886 9.063 1.00 0.00 N ATOM 834 CZ ARG A 49 2.273 -17.425 8.907 1.00 0.00 C ATOM 835 NH1 ARG A 49 3.364 -16.686 9.067 1.00 0.00 N ATOM 836 NH2 ARG A 49 2.389 -18.707 8.591 1.00 0.00 N ATOM 0 H ARG A 49 0.044 -10.994 8.353 1.00 0.00 H new ATOM 0 HA ARG A 49 2.752 -11.849 7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.031 -13.046 9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.340 -12.818 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.492 -14.623 7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.186 -14.848 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.416 -15.236 10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.212 -15.340 9.663 1.00 0.00 H new ATOM 0 HE ARG A 49 0.252 -17.486 8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.280 -15.699 9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.286 -17.105 8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.554 -19.279 8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.313 -19.121 8.471 1.00 0.00 H new ATOM 850 N ASP A 50 0.362 -12.366 5.670 1.00 0.00 N ATOM 851 CA ASP A 50 0.053 -12.831 4.325 1.00 0.00 C ATOM 852 C ASP A 50 0.330 -11.733 3.296 1.00 0.00 C ATOM 853 O ASP A 50 0.070 -11.906 2.105 1.00 0.00 O ATOM 854 CB ASP A 50 -1.409 -13.273 4.236 1.00 0.00 C ATOM 855 CG ASP A 50 -1.712 -14.452 5.139 1.00 0.00 C ATOM 856 OD1 ASP A 50 -2.020 -14.226 6.328 1.00 0.00 O ATOM 857 OD2 ASP A 50 -1.642 -15.603 4.657 1.00 0.00 O ATOM 0 H ASP A 50 -0.371 -11.798 6.095 1.00 0.00 H new ATOM 0 HA ASP A 50 0.695 -13.684 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.055 -12.437 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.643 -13.539 3.205 1.00 0.00 H new ATOM 862 N GLY A 51 0.870 -10.607 3.763 1.00 0.00 N ATOM 863 CA GLY A 51 1.186 -9.503 2.875 1.00 0.00 C ATOM 864 C GLY A 51 -0.034 -8.910 2.198 1.00 0.00 C ATOM 865 O GLY A 51 0.056 -8.413 1.078 1.00 0.00 O ATOM 0 H GLY A 51 1.094 -10.442 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.693 -8.723 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.885 -9.848 2.113 1.00 0.00 H new ATOM 869 N ARG A 52 -1.177 -8.959 2.875 1.00 0.00 N ATOM 870 CA ARG A 52 -2.409 -8.416 2.320 1.00 0.00 C ATOM 871 C ARG A 52 -3.356 -7.910 3.396 1.00 0.00 C ATOM 872 O ARG A 52 -3.698 -8.628 4.336 1.00 0.00 O ATOM 873 CB ARG A 52 -3.113 -9.473 1.482 1.00 0.00 C ATOM 874 CG ARG A 52 -2.565 -9.556 0.079 1.00 0.00 C ATOM 875 CD ARG A 52 -2.050 -10.949 -0.240 1.00 0.00 C ATOM 876 NE ARG A 52 -1.183 -10.959 -1.416 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.885 -12.056 -2.109 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.382 -13.233 -1.747 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.088 -11.977 -3.165 1.00 0.00 N ATOM 0 H ARG A 52 -1.274 -9.368 3.805 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.132 -7.566 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.011 -10.444 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.179 -9.248 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.344 -9.284 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.758 -8.833 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.501 -11.337 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.894 -11.618 -0.407 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.782 -10.073 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.995 -13.300 -0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.151 -14.070 -2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.297 -11.076 -3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.140 -12.818 -3.696 1.00 0.00 H new ATOM 893 N SER A 53 -3.794 -6.672 3.226 1.00 0.00 N ATOM 894 CA SER A 53 -4.733 -6.050 4.152 1.00 0.00 C ATOM 895 C SER A 53 -5.694 -5.124 3.414 1.00 0.00 C ATOM 896 O SER A 53 -5.465 -4.758 2.258 1.00 0.00 O ATOM 897 CB SER A 53 -4.000 -5.279 5.252 1.00 0.00 C ATOM 898 OG SER A 53 -2.810 -5.946 5.637 1.00 0.00 O ATOM 0 H SER A 53 -3.513 -6.073 2.450 1.00 0.00 H new ATOM 0 HA SER A 53 -5.308 -6.849 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.760 -4.276 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.653 -5.165 6.117 1.00 0.00 H new ATOM 0 HG SER A 53 -2.164 -5.914 4.901 1.00 0.00 H new ATOM 904 N GLU A 54 -6.758 -4.730 4.102 1.00 0.00 N ATOM 905 CA GLU A 54 -7.751 -3.822 3.541 1.00 0.00 C ATOM 906 C GLU A 54 -7.852 -2.581 4.417 1.00 0.00 C ATOM 907 O GLU A 54 -8.260 -2.663 5.576 1.00 0.00 O ATOM 908 CB GLU A 54 -9.114 -4.511 3.436 1.00 0.00 C ATOM 909 CG GLU A 54 -9.606 -4.666 2.005 1.00 0.00 C ATOM 910 CD GLU A 54 -10.293 -5.997 1.766 1.00 0.00 C ATOM 911 OE1 GLU A 54 -9.732 -7.036 2.171 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.392 -5.998 1.173 1.00 0.00 O ATOM 0 H GLU A 54 -6.956 -5.028 5.057 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.441 -3.532 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.051 -5.496 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.847 -3.938 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.299 -3.857 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.762 -4.569 1.322 1.00 0.00 H new ATOM 919 N ILE A 55 -7.449 -1.438 3.876 1.00 0.00 N ATOM 920 CA ILE A 55 -7.471 -0.197 4.640 1.00 0.00 C ATOM 921 C ILE A 55 -8.247 0.905 3.927 1.00 0.00 C ATOM 922 O ILE A 55 -8.088 1.114 2.724 1.00 0.00 O ATOM 923 CB ILE A 55 -6.034 0.312 4.923 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.999 -0.779 4.630 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.908 0.781 6.364 1.00 0.00 C ATOM 926 CD1 ILE A 55 -5.120 -1.986 5.535 1.00 0.00 C ATOM 0 H ILE A 55 -7.106 -1.344 2.920 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.973 -0.429 5.579 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.840 1.156 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.105 -1.100 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.999 -0.357 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.893 1.135 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.613 1.593 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.128 -0.048 7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.356 -2.717 5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.984 -1.678 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.107 -2.433 5.415 1.00 0.00 H new ATOM 938 N ALA A 56 -9.069 1.622 4.688 1.00 0.00 N ATOM 939 CA ALA A 56 -9.851 2.722 4.146 1.00 0.00 C ATOM 940 C ALA A 56 -9.056 4.016 4.236 1.00 0.00 C ATOM 941 O ALA A 56 -8.168 4.153 5.077 1.00 0.00 O ATOM 942 CB ALA A 56 -11.171 2.865 4.888 1.00 0.00 C ATOM 0 H ALA A 56 -9.209 1.458 5.685 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.070 2.508 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.738 3.694 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.746 1.944 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.976 3.060 5.943 1.00 0.00 H new ATOM 948 N PHE A 57 -9.365 4.953 3.356 1.00 0.00 N ATOM 949 CA PHE A 57 -8.665 6.228 3.325 1.00 0.00 C ATOM 950 C PHE A 57 -9.584 7.328 3.862 1.00 0.00 C ATOM 951 O PHE A 57 -10.691 7.509 3.362 1.00 0.00 O ATOM 952 CB PHE A 57 -8.269 6.514 1.874 1.00 0.00 C ATOM 953 CG PHE A 57 -6.989 7.276 1.693 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.769 6.644 1.877 1.00 0.00 C ATOM 955 CD2 PHE A 57 -7.002 8.604 1.307 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.584 7.327 1.685 1.00 0.00 C ATOM 957 CE2 PHE A 57 -5.820 9.289 1.109 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.609 8.651 1.298 1.00 0.00 C ATOM 0 H PHE A 57 -10.097 4.856 2.652 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.772 6.196 3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.185 5.565 1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.075 7.073 1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.745 5.606 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.945 9.109 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.640 6.826 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.842 10.325 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.684 9.187 1.143 1.00 0.00 H new ATOM 968 N VAL A 58 -9.138 8.044 4.894 1.00 0.00 N ATOM 969 CA VAL A 58 -9.957 9.098 5.494 1.00 0.00 C ATOM 970 C VAL A 58 -9.968 10.375 4.658 1.00 0.00 C ATOM 971 O VAL A 58 -10.976 11.079 4.603 1.00 0.00 O ATOM 972 CB VAL A 58 -9.484 9.444 6.920 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.483 10.365 7.603 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.268 8.179 7.738 1.00 0.00 C ATOM 0 H VAL A 58 -8.224 7.916 5.329 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.970 8.696 5.533 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.530 9.966 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.134 10.599 8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.580 11.286 7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.453 9.870 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.934 8.447 8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.204 7.624 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.511 7.560 7.257 1.00 0.00 H new ATOM 984 N ALA A 59 -8.842 10.680 4.023 1.00 0.00 N ATOM 985 CA ALA A 59 -8.722 11.886 3.206 1.00 0.00 C ATOM 986 C ALA A 59 -9.926 12.078 2.284 1.00 0.00 C ATOM 987 O ALA A 59 -10.576 13.124 2.313 1.00 0.00 O ATOM 988 CB ALA A 59 -7.438 11.843 2.395 1.00 0.00 C ATOM 0 H ALA A 59 -7.997 10.109 4.057 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.693 12.739 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.359 12.746 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.584 11.782 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.449 10.970 1.743 1.00 0.00 H new ATOM 994 N THR A 60 -10.212 11.076 1.461 1.00 0.00 N ATOM 995 CA THR A 60 -11.332 11.156 0.527 1.00 0.00 C ATOM 996 C THR A 60 -12.312 9.997 0.718 1.00 0.00 C ATOM 997 O THR A 60 -13.144 9.733 -0.151 1.00 0.00 O ATOM 998 CB THR A 60 -10.819 11.169 -0.914 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.086 9.991 -1.196 1.00 0.00 O ATOM 1000 CG2 THR A 60 -9.923 12.352 -1.221 1.00 0.00 C ATOM 0 H THR A 60 -9.688 10.202 1.420 1.00 0.00 H new ATOM 0 HA THR A 60 -11.865 12.084 0.732 1.00 0.00 H new ATOM 0 HB THR A 60 -11.711 11.238 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.768 10.018 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.594 12.300 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.475 13.278 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.054 12.330 -0.564 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.216 9.308 1.853 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.109 8.193 2.119 1.00 0.00 C ATOM 1010 C GLY A 61 -13.107 7.166 1.001 1.00 0.00 C ATOM 1011 O GLY A 61 -14.150 6.873 0.418 1.00 0.00 O ATOM 0 H GLY A 61 -11.538 9.501 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.815 7.711 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.122 8.569 2.260 1.00 0.00 H new ATOM 1015 N THR A 62 -11.931 6.622 0.698 1.00 0.00 N ATOM 1016 CA THR A 62 -11.801 5.628 -0.362 1.00 0.00 C ATOM 1017 C THR A 62 -11.233 4.316 0.174 1.00 0.00 C ATOM 1018 O THR A 62 -10.216 4.307 0.868 1.00 0.00 O ATOM 1019 CB THR A 62 -10.905 6.163 -1.480 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.614 5.144 -2.421 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.587 6.718 -0.984 1.00 0.00 C ATOM 0 H THR A 62 -11.057 6.852 1.171 1.00 0.00 H new ATOM 0 HA THR A 62 -12.797 5.431 -0.759 1.00 0.00 H new ATOM 0 HB THR A 62 -11.472 6.975 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.041 5.506 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.003 7.079 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.775 7.541 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.033 5.933 -0.469 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.888 3.208 -0.166 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.438 1.889 0.269 1.00 0.00 C ATOM 1031 C ASN A 63 -10.292 1.414 -0.616 1.00 0.00 C ATOM 1032 O ASN A 63 -10.273 1.692 -1.815 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.593 0.886 0.217 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.189 -0.488 0.716 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.193 -1.056 0.269 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.963 -1.030 1.650 1.00 0.00 N ATOM 0 H ASN A 63 -12.731 3.198 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.087 1.961 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.422 1.259 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.955 0.805 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.741 -1.952 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.780 -0.524 1.992 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.325 0.717 -0.027 1.00 0.00 N ATOM 1044 CA LEU A 64 -8.177 0.245 -0.792 1.00 0.00 C ATOM 1045 C LEU A 64 -7.696 -1.132 -0.344 1.00 0.00 C ATOM 1046 O LEU A 64 -7.298 -1.324 0.805 1.00 0.00 O ATOM 1047 CB LEU A 64 -7.020 1.238 -0.667 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.416 2.714 -0.725 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.363 3.575 -0.043 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -7.615 3.155 -2.168 1.00 0.00 C ATOM 0 H LEU A 64 -9.312 0.470 0.962 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.504 0.164 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.505 1.054 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.305 1.039 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.359 2.840 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.661 4.622 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.268 3.275 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.405 3.445 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.896 4.208 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.687 3.015 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.404 2.558 -2.625 1.00 0.00 H new ATOM 1062 N SER A 65 -7.684 -2.072 -1.285 1.00 0.00 N ATOM 1063 CA SER A 65 -7.193 -3.419 -1.026 1.00 0.00 C ATOM 1064 C SER A 65 -5.775 -3.507 -1.574 1.00 0.00 C ATOM 1065 O SER A 65 -5.557 -3.290 -2.766 1.00 0.00 O ATOM 1066 CB SER A 65 -8.090 -4.466 -1.690 1.00 0.00 C ATOM 1067 OG SER A 65 -9.432 -4.340 -1.251 1.00 0.00 O ATOM 0 H SER A 65 -8.011 -1.922 -2.239 1.00 0.00 H new ATOM 0 HA SER A 65 -7.202 -3.620 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.046 -4.353 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.721 -5.465 -1.459 1.00 0.00 H new ATOM 0 HG SER A 65 -9.985 -5.019 -1.691 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.801 -3.757 -0.706 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.410 -3.784 -1.147 1.00 0.00 C ATOM 1075 C LEU A 66 -2.709 -5.109 -0.884 1.00 0.00 C ATOM 1076 O LEU A 66 -3.011 -5.821 0.073 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.628 -2.661 -0.464 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.434 -1.390 -0.167 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.330 -1.017 1.305 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.965 -0.240 -1.044 1.00 0.00 C ATOM 0 H LEU A 66 -4.943 -3.940 0.287 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.432 -3.646 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.221 -3.041 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.780 -2.395 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.481 -1.591 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.909 -0.113 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.720 -1.831 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.286 -0.839 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.549 0.652 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.911 -0.042 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.098 -0.505 -2.093 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.732 -5.397 -1.741 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.918 -6.597 -1.627 1.00 0.00 C ATOM 1094 C GLN A 67 0.540 -6.187 -1.459 1.00 0.00 C ATOM 1095 O GLN A 67 1.188 -5.749 -2.410 1.00 0.00 O ATOM 1096 CB GLN A 67 -1.083 -7.482 -2.866 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.524 -7.875 -3.146 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.634 -9.049 -4.100 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.694 -9.829 -4.254 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.787 -9.180 -4.746 1.00 0.00 N ATOM 0 H GLN A 67 -1.485 -4.803 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.241 -7.173 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.684 -6.956 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.487 -8.386 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.017 -8.127 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.055 -7.020 -3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.539 -8.510 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.920 -9.951 -5.401 1.00 0.00 H new ATOM 1109 N PHE A 68 1.038 -6.301 -0.235 1.00 0.00 N ATOM 1110 CA PHE A 68 2.409 -5.912 0.080 1.00 0.00 C ATOM 1111 C PHE A 68 3.328 -7.094 0.351 1.00 0.00 C ATOM 1112 O PHE A 68 3.149 -7.852 1.304 1.00 0.00 O ATOM 1113 CB PHE A 68 2.431 -4.921 1.248 1.00 0.00 C ATOM 1114 CG PHE A 68 1.154 -4.882 2.036 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.739 -5.954 2.815 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.356 -3.753 1.974 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.449 -5.888 3.518 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.829 -3.684 2.668 1.00 0.00 C ATOM 1119 CZ PHE A 68 -1.232 -4.751 3.442 1.00 0.00 C ATOM 0 H PHE A 68 0.511 -6.661 0.561 1.00 0.00 H new ATOM 0 HA PHE A 68 2.804 -5.424 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.252 -5.181 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.639 -3.923 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.348 -6.844 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.669 -2.913 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.765 -6.723 4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.442 -2.797 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.161 -4.699 3.990 1.00 0.00 H new ATOM 1129 N PHE A 69 4.334 -7.203 -0.507 1.00 0.00 N ATOM 1130 CA PHE A 69 5.348 -8.243 -0.422 1.00 0.00 C ATOM 1131 C PHE A 69 6.593 -7.806 -1.187 1.00 0.00 C ATOM 1132 O PHE A 69 6.505 -6.988 -2.102 1.00 0.00 O ATOM 1133 CB PHE A 69 4.825 -9.570 -0.980 1.00 0.00 C ATOM 1134 CG PHE A 69 4.165 -10.446 0.051 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.678 -10.539 1.337 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.034 -11.177 -0.269 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.073 -11.346 2.282 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.425 -11.985 0.673 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.947 -12.070 1.949 1.00 0.00 C ATOM 0 H PHE A 69 4.469 -6.564 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 69 5.600 -8.396 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.111 -9.362 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.654 -10.116 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.560 -9.975 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.623 -11.115 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.481 -11.410 3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.542 -12.549 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.474 -12.703 2.685 1.00 0.00 H new ATOM 1149 N PRO A 70 7.771 -8.339 -0.832 1.00 0.00 N ATOM 1150 CA PRO A 70 9.024 -7.984 -1.505 1.00 0.00 C ATOM 1151 C PRO A 70 8.897 -8.030 -3.026 1.00 0.00 C ATOM 1152 O PRO A 70 8.563 -9.065 -3.602 1.00 0.00 O ATOM 1153 CB PRO A 70 10.000 -9.049 -1.009 1.00 0.00 C ATOM 1154 CG PRO A 70 9.478 -9.441 0.330 1.00 0.00 C ATOM 1155 CD PRO A 70 7.980 -9.325 0.246 1.00 0.00 C ATOM 0 HA PRO A 70 9.338 -6.964 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.034 -9.902 -1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.014 -8.656 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.776 -10.459 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.876 -8.790 1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.516 -10.283 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.550 -8.986 1.189 1.00 0.00 H new ATOM 1163 N ALA A 71 9.161 -6.895 -3.666 1.00 0.00 N ATOM 1164 CA ALA A 71 9.073 -6.792 -5.118 1.00 0.00 C ATOM 1165 C ALA A 71 10.068 -7.721 -5.812 1.00 0.00 C ATOM 1166 O ALA A 71 9.941 -7.994 -7.005 1.00 0.00 O ATOM 1167 CB ALA A 71 9.303 -5.353 -5.556 1.00 0.00 C ATOM 0 H ALA A 71 9.438 -6.031 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 71 8.071 -7.102 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.235 -5.288 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.546 -4.710 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.293 -5.029 -5.234 1.00 0.00 H new ATOM 1173 N SER A 72 11.059 -8.200 -5.065 1.00 0.00 N ATOM 1174 CA SER A 72 12.069 -9.092 -5.623 1.00 0.00 C ATOM 1175 C SER A 72 11.677 -10.556 -5.436 1.00 0.00 C ATOM 1176 O SER A 72 12.526 -11.405 -5.163 1.00 0.00 O ATOM 1177 CB SER A 72 13.427 -8.828 -4.969 1.00 0.00 C ATOM 1178 OG SER A 72 14.074 -7.718 -5.565 1.00 0.00 O ATOM 0 H SER A 72 11.183 -7.986 -4.075 1.00 0.00 H new ATOM 0 HA SER A 72 12.140 -8.892 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.291 -8.644 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.057 -9.713 -5.062 1.00 0.00 H new ATOM 0 HG SER A 72 14.938 -7.570 -5.128 1.00 0.00 H new ATOM 1319 N PRO A 81 6.332 -12.363 5.592 1.00 0.00 N ATOM 1320 CA PRO A 81 6.132 -10.950 5.912 1.00 0.00 C ATOM 1321 C PRO A 81 7.433 -10.268 6.320 1.00 0.00 C ATOM 1322 O PRO A 81 7.796 -10.257 7.496 1.00 0.00 O ATOM 1323 CB PRO A 81 5.162 -10.998 7.089 1.00 0.00 C ATOM 1324 CG PRO A 81 5.476 -12.281 7.778 1.00 0.00 C ATOM 1325 CD PRO A 81 5.913 -13.242 6.702 1.00 0.00 C ATOM 0 HA PRO A 81 5.764 -10.378 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.302 -10.146 7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.126 -10.972 6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.263 -12.142 8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.603 -12.662 8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.732 -13.876 7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.100 -13.904 6.403 1.00 0.00 H new ATOM 1333 N SER A 82 8.134 -9.703 5.342 1.00 0.00 N ATOM 1334 CA SER A 82 9.396 -9.026 5.607 1.00 0.00 C ATOM 1335 C SER A 82 9.156 -7.582 6.029 1.00 0.00 C ATOM 1336 O SER A 82 8.209 -6.942 5.575 1.00 0.00 O ATOM 1337 CB SER A 82 10.291 -9.069 4.369 1.00 0.00 C ATOM 1338 OG SER A 82 10.558 -10.405 3.978 1.00 0.00 O ATOM 0 H SER A 82 7.850 -9.701 4.362 1.00 0.00 H new ATOM 0 HA SER A 82 9.897 -9.546 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.809 -8.536 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.229 -8.553 4.576 1.00 0.00 H new ATOM 0 HG SER A 82 11.131 -10.405 3.183 1.00 0.00 H new ATOM 1344 N ARG A 83 10.022 -7.074 6.902 1.00 0.00 N ATOM 1345 CA ARG A 83 9.906 -5.704 7.392 1.00 0.00 C ATOM 1346 C ARG A 83 10.314 -4.688 6.317 1.00 0.00 C ATOM 1347 O ARG A 83 10.312 -3.483 6.566 1.00 0.00 O ATOM 1348 CB ARG A 83 10.732 -5.541 8.684 1.00 0.00 C ATOM 1349 CG ARG A 83 11.961 -4.638 8.581 1.00 0.00 C ATOM 1350 CD ARG A 83 11.802 -3.378 9.423 1.00 0.00 C ATOM 1351 NE ARG A 83 13.070 -2.674 9.597 1.00 0.00 N ATOM 1352 CZ ARG A 83 13.992 -3.017 10.493 1.00 0.00 C ATOM 1353 NH1 ARG A 83 13.792 -4.055 11.298 1.00 0.00 N ATOM 1354 NH2 ARG A 83 15.118 -2.323 10.586 1.00 0.00 N ATOM 0 H ARG A 83 10.813 -7.592 7.285 1.00 0.00 H new ATOM 0 HA ARG A 83 8.861 -5.501 7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.079 -5.146 9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.057 -6.529 9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.845 -5.186 8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.125 -4.362 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.080 -2.713 8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.397 -3.643 10.400 1.00 0.00 H new ATOM 0 HE ARG A 83 13.260 -1.872 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.928 -4.593 11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.502 -4.313 11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.278 -1.526 9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.824 -2.587 11.273 1.00 0.00 H new ATOM 1368 N GLU A 84 10.636 -5.174 5.117 1.00 0.00 N ATOM 1369 CA GLU A 84 11.011 -4.296 4.017 1.00 0.00 C ATOM 1370 C GLU A 84 9.768 -3.636 3.462 1.00 0.00 C ATOM 1371 O GLU A 84 9.778 -2.464 3.088 1.00 0.00 O ATOM 1372 CB GLU A 84 11.737 -5.074 2.918 1.00 0.00 C ATOM 1373 CG GLU A 84 11.032 -6.355 2.508 1.00 0.00 C ATOM 1374 CD GLU A 84 11.539 -6.901 1.187 1.00 0.00 C ATOM 1375 OE1 GLU A 84 11.165 -6.346 0.133 1.00 0.00 O ATOM 1376 OE2 GLU A 84 12.311 -7.883 1.207 1.00 0.00 O ATOM 0 H GLU A 84 10.644 -6.168 4.887 1.00 0.00 H new ATOM 0 HA GLU A 84 11.694 -3.533 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.845 -4.433 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.743 -5.317 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.171 -7.107 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.961 -6.168 2.433 1.00 0.00 H new ATOM 1383 N TYR A 85 8.691 -4.405 3.429 1.00 0.00 N ATOM 1384 CA TYR A 85 7.419 -3.917 2.943 1.00 0.00 C ATOM 1385 C TYR A 85 6.411 -3.907 4.080 1.00 0.00 C ATOM 1386 O TYR A 85 5.714 -2.923 4.290 1.00 0.00 O ATOM 1387 CB TYR A 85 6.928 -4.776 1.782 1.00 0.00 C ATOM 1388 CG TYR A 85 7.672 -4.504 0.496 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.058 -4.372 0.487 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.992 -4.374 -0.707 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.740 -4.120 -0.687 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.669 -4.123 -1.885 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.042 -3.997 -1.871 1.00 0.00 C ATOM 1394 OH TYR A 85 9.720 -3.746 -3.042 1.00 0.00 O ATOM 0 H TYR A 85 8.678 -5.377 3.737 1.00 0.00 H new ATOM 0 HA TYR A 85 7.540 -2.898 2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.037 -5.829 2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.865 -4.595 1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.608 -4.468 1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.916 -4.471 -0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.815 -4.020 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.125 -4.026 -2.813 1.00 0.00 H new ATOM 0 HH TYR A 85 10.617 -4.138 -2.991 1.00 0.00 H new ATOM 1404 N VAL A 86 6.366 -5.005 4.830 1.00 0.00 N ATOM 1405 CA VAL A 86 5.472 -5.117 5.967 1.00 0.00 C ATOM 1406 C VAL A 86 6.267 -5.349 7.250 1.00 0.00 C ATOM 1407 O VAL A 86 6.828 -6.422 7.464 1.00 0.00 O ATOM 1408 CB VAL A 86 4.468 -6.266 5.790 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.374 -5.881 4.808 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.168 -7.540 5.345 1.00 0.00 C ATOM 0 H VAL A 86 6.943 -5.830 4.666 1.00 0.00 H new ATOM 0 HA VAL A 86 4.921 -4.179 6.034 1.00 0.00 H new ATOM 0 HB VAL A 86 4.005 -6.458 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.675 -6.710 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.843 -5.005 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.819 -5.651 3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.433 -8.337 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.670 -7.366 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.903 -7.832 6.095 1.00 0.00 H new ATOM 1420 N ASP A 87 6.312 -4.331 8.098 1.00 0.00 N ATOM 1421 CA ASP A 87 7.046 -4.411 9.357 1.00 0.00 C ATOM 1422 C ASP A 87 6.111 -4.239 10.550 1.00 0.00 C ATOM 1423 O ASP A 87 5.129 -3.502 10.481 1.00 0.00 O ATOM 1424 CB ASP A 87 8.140 -3.338 9.391 1.00 0.00 C ATOM 1425 CG ASP A 87 8.963 -3.379 10.665 1.00 0.00 C ATOM 1426 OD1 ASP A 87 8.910 -4.405 11.375 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.666 -2.387 10.947 1.00 0.00 O ATOM 0 H ASP A 87 5.848 -3.437 7.938 1.00 0.00 H new ATOM 0 HA ASP A 87 7.503 -5.398 9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.799 -3.470 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.681 -2.354 9.292 1.00 0.00 H new ATOM 1515 N GLY A 93 4.107 2.359 18.119 1.00 0.00 N ATOM 1516 CA GLY A 93 3.482 1.092 18.455 1.00 0.00 C ATOM 1517 C GLY A 93 2.416 0.696 17.453 1.00 0.00 C ATOM 1518 O GLY A 93 1.307 0.315 17.826 1.00 0.00 O ATOM 0 HA2 GLY A 93 4.244 0.314 18.499 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.038 1.160 19.448 1.00 0.00 H new ATOM 1522 N LYS A 94 2.760 0.790 16.175 1.00 0.00 N ATOM 1523 CA LYS A 94 1.844 0.447 15.095 1.00 0.00 C ATOM 1524 C LYS A 94 2.590 -0.348 14.029 1.00 0.00 C ATOM 1525 O LYS A 94 3.795 -0.568 14.144 1.00 0.00 O ATOM 1526 CB LYS A 94 1.235 1.712 14.474 1.00 0.00 C ATOM 1527 CG LYS A 94 1.327 2.944 15.367 1.00 0.00 C ATOM 1528 CD LYS A 94 0.358 2.859 16.536 1.00 0.00 C ATOM 1529 CE LYS A 94 0.975 3.410 17.814 1.00 0.00 C ATOM 1530 NZ LYS A 94 0.076 4.387 18.488 1.00 0.00 N ATOM 0 H LYS A 94 3.677 1.105 15.859 1.00 0.00 H new ATOM 0 HA LYS A 94 1.034 -0.158 15.502 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.739 1.921 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.187 1.522 14.240 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.345 3.046 15.743 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.113 3.837 14.780 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.549 3.416 16.299 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.064 1.821 16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.194 2.588 18.495 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.925 3.892 17.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.532 4.739 19.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.113 5.184 17.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.821 3.921 18.734 1.00 0.00 H new ATOM 1544 N VAL A 95 1.880 -0.782 12.997 1.00 0.00 N ATOM 1545 CA VAL A 95 2.502 -1.556 11.926 1.00 0.00 C ATOM 1546 C VAL A 95 2.157 -0.981 10.551 1.00 0.00 C ATOM 1547 O VAL A 95 0.992 -0.950 10.157 1.00 0.00 O ATOM 1548 CB VAL A 95 2.077 -3.044 11.995 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.599 -3.164 12.335 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.394 -3.776 10.692 1.00 0.00 C ATOM 0 H VAL A 95 0.881 -0.614 12.877 1.00 0.00 H new ATOM 0 HA VAL A 95 3.581 -1.492 12.067 1.00 0.00 H new ATOM 0 HB VAL A 95 2.654 -3.518 12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.320 -4.217 12.379 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.409 -2.698 13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.007 -2.664 11.568 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.083 -4.817 10.775 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.859 -3.302 9.869 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.466 -3.732 10.501 1.00 0.00 H new ATOM 1560 N TYR A 96 3.183 -0.546 9.816 1.00 0.00 N ATOM 1561 CA TYR A 96 2.979 0.005 8.480 1.00 0.00 C ATOM 1562 C TYR A 96 3.521 -0.933 7.415 1.00 0.00 C ATOM 1563 O TYR A 96 4.470 -1.680 7.650 1.00 0.00 O ATOM 1564 CB TYR A 96 3.632 1.384 8.314 1.00 0.00 C ATOM 1565 CG TYR A 96 4.889 1.592 9.129 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.915 0.660 9.109 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.053 2.730 9.909 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.067 0.852 9.846 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.201 2.932 10.647 1.00 0.00 C ATOM 1570 CZ TYR A 96 7.207 1.990 10.613 1.00 0.00 C ATOM 1571 OH TYR A 96 8.354 2.186 11.347 1.00 0.00 O ATOM 0 H TYR A 96 4.156 -0.565 10.123 1.00 0.00 H new ATOM 0 HA TYR A 96 1.902 0.118 8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.870 1.534 7.261 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.907 2.150 8.589 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.812 -0.231 8.507 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.267 3.470 9.938 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.855 0.114 9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.311 3.823 11.248 1.00 0.00 H new ATOM 0 HH TYR A 96 8.292 3.037 11.830 1.00 0.00 H new ATOM 1581 N LEU A 97 2.917 -0.880 6.237 1.00 0.00 N ATOM 1582 CA LEU A 97 3.349 -1.716 5.130 1.00 0.00 C ATOM 1583 C LEU A 97 3.306 -0.938 3.820 1.00 0.00 C ATOM 1584 O LEU A 97 2.617 0.077 3.715 1.00 0.00 O ATOM 1585 CB LEU A 97 2.497 -2.987 5.030 1.00 0.00 C ATOM 1586 CG LEU A 97 0.996 -2.801 5.269 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.703 -2.495 6.731 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.452 -1.703 4.379 1.00 0.00 C ATOM 0 H LEU A 97 2.129 -0.268 6.025 1.00 0.00 H new ATOM 0 HA LEU A 97 4.379 -2.016 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.638 -3.419 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.874 -3.713 5.751 1.00 0.00 H new ATOM 0 HG LEU A 97 0.497 -3.737 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.371 -2.368 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.053 -3.319 7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.216 -1.578 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.616 -1.583 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.965 -0.767 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.615 -1.967 3.334 1.00 0.00 H new ATOM 1600 N LYS A 98 4.056 -1.418 2.832 1.00 0.00 N ATOM 1601 CA LYS A 98 4.119 -0.774 1.525 1.00 0.00 C ATOM 1602 C LYS A 98 3.754 -1.758 0.422 1.00 0.00 C ATOM 1603 O LYS A 98 4.360 -2.824 0.306 1.00 0.00 O ATOM 1604 CB LYS A 98 5.523 -0.223 1.277 1.00 0.00 C ATOM 1605 CG LYS A 98 5.591 0.791 0.146 1.00 0.00 C ATOM 1606 CD LYS A 98 6.983 0.854 -0.459 1.00 0.00 C ATOM 1607 CE LYS A 98 7.266 -0.355 -1.335 1.00 0.00 C ATOM 1608 NZ LYS A 98 8.412 -0.119 -2.256 1.00 0.00 N ATOM 0 H LYS A 98 4.632 -2.256 2.914 1.00 0.00 H new ATOM 0 HA LYS A 98 3.402 0.047 1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.888 0.242 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.194 -1.052 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.869 0.526 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.311 1.775 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.083 1.764 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.725 0.909 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.479 -1.218 -0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.377 -0.597 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.572 -0.968 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.199 0.689 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.267 0.087 -1.701 1.00 0.00 H new ATOM 1622 N ALA A 99 2.764 -1.399 -0.388 1.00 0.00 N ATOM 1623 CA ALA A 99 2.325 -2.260 -1.478 1.00 0.00 C ATOM 1624 C ALA A 99 2.380 -1.533 -2.820 1.00 0.00 C ATOM 1625 O ALA A 99 1.980 -0.373 -2.923 1.00 0.00 O ATOM 1626 CB ALA A 99 0.915 -2.767 -1.211 1.00 0.00 C ATOM 0 H ALA A 99 2.252 -0.520 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 99 3.006 -3.109 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.598 -3.409 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.903 -3.335 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.233 -1.920 -1.128 1.00 0.00 H new ATOM 1632 N PRO A 100 2.872 -2.210 -3.874 1.00 0.00 N ATOM 1633 CA PRO A 100 2.970 -1.634 -5.207 1.00 0.00 C ATOM 1634 C PRO A 100 1.721 -1.916 -6.036 1.00 0.00 C ATOM 1635 O PRO A 100 1.337 -3.071 -6.220 1.00 0.00 O ATOM 1636 CB PRO A 100 4.182 -2.360 -5.786 1.00 0.00 C ATOM 1637 CG PRO A 100 4.195 -3.704 -5.121 1.00 0.00 C ATOM 1638 CD PRO A 100 3.373 -3.594 -3.856 1.00 0.00 C ATOM 0 HA PRO A 100 3.065 -0.548 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.101 -2.458 -6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.102 -1.812 -5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.779 -4.463 -5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.216 -4.007 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.555 -4.314 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.977 -3.788 -2.970 1.00 0.00 H new ATOM 1646 N MET A 101 1.081 -0.856 -6.522 1.00 0.00 N ATOM 1647 CA MET A 101 -0.134 -1.002 -7.315 1.00 0.00 C ATOM 1648 C MET A 101 -0.061 -0.188 -8.600 1.00 0.00 C ATOM 1649 O MET A 101 0.840 0.630 -8.781 1.00 0.00 O ATOM 1650 CB MET A 101 -1.350 -0.560 -6.498 1.00 0.00 C ATOM 1651 CG MET A 101 -1.992 -1.684 -5.703 1.00 0.00 C ATOM 1652 SD MET A 101 -2.670 -1.124 -4.129 1.00 0.00 S ATOM 1653 CE MET A 101 -3.887 0.071 -4.681 1.00 0.00 C ATOM 0 H MET A 101 1.382 0.108 -6.381 1.00 0.00 H new ATOM 0 HA MET A 101 -0.233 -2.054 -7.582 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.048 0.232 -5.812 1.00 0.00 H new ATOM 0 HB3 MET A 101 -2.093 -0.132 -7.171 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.787 -2.135 -6.297 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.251 -2.462 -5.519 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.475 0.412 -3.829 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.381 0.922 -5.136 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.547 -0.393 -5.414 1.00 0.00 H new ATOM 1663 N ILE A 102 -1.028 -0.412 -9.483 1.00 0.00 N ATOM 1664 CA ILE A 102 -1.090 0.305 -10.746 1.00 0.00 C ATOM 1665 C ILE A 102 -2.243 1.303 -10.735 1.00 0.00 C ATOM 1666 O ILE A 102 -3.409 0.926 -10.846 1.00 0.00 O ATOM 1667 CB ILE A 102 -1.260 -0.661 -11.940 1.00 0.00 C ATOM 1668 CG1 ILE A 102 -0.062 -1.613 -12.026 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.435 0.111 -13.245 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.202 -0.959 -12.545 1.00 0.00 C ATOM 0 H ILE A 102 -1.780 -1.087 -9.344 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.146 0.837 -10.864 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.161 -1.252 -11.779 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.134 -2.026 -11.037 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.320 -2.449 -12.675 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.553 -0.591 -14.070 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.320 0.743 -13.178 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.557 0.733 -13.420 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.005 -1.695 -12.577 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.025 -0.570 -13.548 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.486 -0.141 -11.884 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.903 2.579 -10.605 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.899 3.643 -10.585 1.00 0.00 C ATOM 1684 C LEU A 103 -2.857 4.412 -11.895 1.00 0.00 C ATOM 1685 O LEU A 103 -1.815 4.493 -12.518 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.657 4.592 -9.409 1.00 0.00 C ATOM 1687 CG LEU A 103 -3.373 4.216 -8.111 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -3.009 5.191 -7.001 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.880 4.190 -8.322 1.00 0.00 C ATOM 0 H LEU A 103 -0.940 2.903 -10.511 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.885 3.194 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.586 4.637 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.971 5.594 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.049 3.218 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.527 4.909 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.932 5.165 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.306 6.199 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.374 3.921 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.220 5.175 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.127 3.455 -9.088 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.997 4.960 -12.306 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.115 5.721 -13.561 1.00 0.00 C ATOM 1703 C ASN A 104 -2.807 5.779 -14.368 1.00 0.00 C ATOM 1704 O ASN A 104 -2.096 6.781 -14.346 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.566 7.145 -13.245 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.023 7.897 -14.479 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -4.604 7.593 -15.595 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -5.890 8.883 -14.285 1.00 0.00 N ATOM 0 H ASN A 104 -4.870 4.893 -11.783 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.847 5.198 -14.177 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.380 7.112 -12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.745 7.687 -12.777 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.235 9.422 -15.079 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.211 9.101 -13.342 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.519 4.697 -15.097 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.319 4.631 -15.928 1.00 0.00 C ATOM 1717 C GLY A 105 -0.063 5.138 -15.236 1.00 0.00 C ATOM 1718 O GLY A 105 0.641 5.992 -15.772 1.00 0.00 O ATOM 0 H GLY A 105 -3.100 3.859 -15.127 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.160 3.598 -16.238 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.484 5.214 -16.834 1.00 0.00 H new ATOM 1722 N VAL A 106 0.209 4.609 -14.050 1.00 0.00 N ATOM 1723 CA VAL A 106 1.372 4.998 -13.266 1.00 0.00 C ATOM 1724 C VAL A 106 1.645 3.965 -12.177 1.00 0.00 C ATOM 1725 O VAL A 106 0.716 3.475 -11.533 1.00 0.00 O ATOM 1726 CB VAL A 106 1.163 6.374 -12.594 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.327 6.710 -11.674 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.972 7.466 -13.633 1.00 0.00 C ATOM 0 H VAL A 106 -0.371 3.898 -13.605 1.00 0.00 H new ATOM 0 HA VAL A 106 2.219 5.059 -13.950 1.00 0.00 H new ATOM 0 HB VAL A 106 0.256 6.316 -11.992 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.157 7.683 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.408 5.949 -10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.251 6.739 -12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.827 8.423 -13.132 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.854 7.520 -14.271 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.097 7.239 -14.243 1.00 0.00 H new ATOM 1738 N CYS A 107 2.915 3.651 -11.957 1.00 0.00 N ATOM 1739 CA CYS A 107 3.282 2.694 -10.923 1.00 0.00 C ATOM 1740 C CYS A 107 3.272 3.381 -9.564 1.00 0.00 C ATOM 1741 O CYS A 107 4.146 4.195 -9.261 1.00 0.00 O ATOM 1742 CB CYS A 107 4.659 2.092 -11.213 1.00 0.00 C ATOM 1743 SG CYS A 107 4.846 0.380 -10.662 1.00 0.00 S ATOM 0 H CYS A 107 3.702 4.041 -12.476 1.00 0.00 H new ATOM 0 HA CYS A 107 2.554 1.882 -10.915 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.846 2.140 -12.286 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.420 2.704 -10.729 1.00 0.00 H new ATOM 0 HG CYS A 107 6.000 0.234 -10.082 1.00 0.00 H new ATOM 1749 N VAL A 108 2.258 3.078 -8.760 1.00 0.00 N ATOM 1750 CA VAL A 108 2.114 3.696 -7.451 1.00 0.00 C ATOM 1751 C VAL A 108 2.513 2.760 -6.319 1.00 0.00 C ATOM 1752 O VAL A 108 2.757 1.572 -6.527 1.00 0.00 O ATOM 1753 CB VAL A 108 0.668 4.169 -7.225 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.380 5.406 -8.064 1.00 0.00 C ATOM 1755 CG2 VAL A 108 -0.314 3.052 -7.551 1.00 0.00 C ATOM 0 H VAL A 108 1.525 2.408 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 108 2.790 4.551 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 108 0.546 4.432 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.647 5.730 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.064 6.206 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.516 5.170 -9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.333 3.403 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.197 2.757 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.117 2.195 -6.907 1.00 0.00 H new ATOM 1765 N ILE A 109 2.580 3.321 -5.116 1.00 0.00 N ATOM 1766 CA ILE A 109 2.951 2.570 -3.925 1.00 0.00 C ATOM 1767 C ILE A 109 2.214 3.106 -2.701 1.00 0.00 C ATOM 1768 O ILE A 109 2.553 4.169 -2.182 1.00 0.00 O ATOM 1769 CB ILE A 109 4.472 2.638 -3.639 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.261 3.131 -4.861 1.00 0.00 C ATOM 1771 CG2 ILE A 109 4.986 1.278 -3.193 1.00 0.00 C ATOM 1772 CD1 ILE A 109 6.629 3.675 -4.510 1.00 0.00 C ATOM 0 H ILE A 109 2.379 4.306 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 109 2.673 1.534 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 109 4.624 3.359 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.375 2.309 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.687 3.908 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.056 1.340 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.467 0.973 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.804 0.545 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.133 4.006 -5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.521 4.518 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.219 2.894 -4.032 1.00 0.00 H new ATOM 1784 N TRP A 110 1.215 2.365 -2.232 1.00 0.00 N ATOM 1785 CA TRP A 110 0.457 2.781 -1.057 1.00 0.00 C ATOM 1786 C TRP A 110 1.049 2.158 0.200 1.00 0.00 C ATOM 1787 O TRP A 110 1.312 0.957 0.242 1.00 0.00 O ATOM 1788 CB TRP A 110 -1.018 2.388 -1.189 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.850 2.806 -0.010 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.712 3.864 0.056 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.899 2.171 1.275 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -3.287 3.929 1.302 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.805 2.901 2.068 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -1.265 1.058 1.832 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -3.090 2.553 3.387 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.549 0.716 3.138 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.452 1.458 3.904 1.00 0.00 C ATOM 0 H TRP A 110 0.913 1.481 -2.643 1.00 0.00 H new ATOM 0 HA TRP A 110 0.519 3.867 -0.982 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.428 2.839 -2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.090 1.307 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.912 4.550 -0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.963 4.629 1.607 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.565 0.476 1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.788 3.126 3.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -1.063 -0.143 3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.650 1.162 4.923 1.00 0.00 H new ATOM 1808 N LYS A 111 1.259 2.979 1.221 1.00 0.00 N ATOM 1809 CA LYS A 111 1.821 2.496 2.473 1.00 0.00 C ATOM 1810 C LYS A 111 1.282 3.287 3.658 1.00 0.00 C ATOM 1811 O LYS A 111 0.791 4.405 3.500 1.00 0.00 O ATOM 1812 CB LYS A 111 3.348 2.579 2.442 1.00 0.00 C ATOM 1813 CG LYS A 111 3.877 3.998 2.316 1.00 0.00 C ATOM 1814 CD LYS A 111 3.861 4.472 0.871 1.00 0.00 C ATOM 1815 CE LYS A 111 5.210 5.033 0.452 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.354 6.468 0.819 1.00 0.00 N ATOM 0 H LYS A 111 1.050 3.977 1.206 1.00 0.00 H new ATOM 0 HA LYS A 111 1.524 1.454 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 111 3.747 2.131 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 111 3.719 1.986 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.272 4.668 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 111 4.895 4.044 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.593 3.642 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.094 5.236 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.005 4.456 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.331 4.920 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.965 6.944 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.418 6.921 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.781 6.543 1.765 1.00 0.00 H new ATOM 1830 N GLY A 112 1.378 2.697 4.843 1.00 0.00 N ATOM 1831 CA GLY A 112 0.894 3.361 6.040 1.00 0.00 C ATOM 1832 C GLY A 112 0.800 2.422 7.221 1.00 0.00 C ATOM 1833 O GLY A 112 0.767 1.204 7.045 1.00 0.00 O ATOM 0 H GLY A 112 1.781 1.773 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.560 4.187 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.088 3.791 5.842 1.00 0.00 H new ATOM 1837 N TRP A 113 0.757 2.984 8.428 1.00 0.00 N ATOM 1838 CA TRP A 113 0.668 2.175 9.639 1.00 0.00 C ATOM 1839 C TRP A 113 -0.715 2.243 10.263 1.00 0.00 C ATOM 1840 O TRP A 113 -1.425 3.244 10.143 1.00 0.00 O ATOM 1841 CB TRP A 113 1.706 2.612 10.677 1.00 0.00 C ATOM 1842 CG TRP A 113 1.585 4.046 11.091 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.336 5.097 10.648 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.666 4.584 12.047 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.933 6.257 11.265 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.910 5.968 12.130 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.343 4.030 12.839 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.182 6.803 12.973 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.063 4.859 13.677 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.798 6.233 13.739 1.00 0.00 C ATOM 0 H TRP A 113 0.782 3.990 8.591 1.00 0.00 H new ATOM 0 HA TRP A 113 0.868 1.147 9.338 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.611 1.980 11.560 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.704 2.444 10.271 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.130 5.027 9.920 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.331 7.183 11.105 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.556 2.972 12.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.384 7.863 13.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.844 4.441 14.295 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.379 6.855 14.404 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.066 1.172 10.959 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.340 1.078 11.655 1.00 0.00 C ATOM 1863 C ILE A 114 -2.075 0.777 13.118 1.00 0.00 C ATOM 1864 O ILE A 114 -1.145 0.037 13.441 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.269 -0.025 11.077 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.702 -0.630 9.788 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.659 0.536 10.826 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.582 0.364 8.653 1.00 0.00 C ATOM 0 H ILE A 114 -0.477 0.345 11.057 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.852 2.032 11.526 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.331 -0.823 11.817 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.718 -1.051 9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.341 -1.454 9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.300 -0.247 10.421 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.079 0.900 11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.596 1.358 10.113 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.174 -0.135 7.774 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.567 0.767 8.417 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.919 1.177 8.950 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.881 1.338 14.006 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.687 1.098 15.425 1.00 0.00 C ATOM 1882 C ASP A 115 -3.411 -0.184 15.825 1.00 0.00 C ATOM 1883 O ASP A 115 -4.541 -0.433 15.406 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.158 2.302 16.251 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.610 2.214 16.659 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.482 2.632 15.867 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -4.873 1.723 17.775 1.00 0.00 O ATOM 0 H ASP A 115 -3.662 1.952 13.774 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.624 0.971 15.630 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.541 2.384 17.145 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.005 3.213 15.673 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.725 -1.012 16.598 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.258 -2.302 17.021 1.00 0.00 C ATOM 1894 C LEU A 116 -4.348 -2.191 18.091 1.00 0.00 C ATOM 1895 O LEU A 116 -4.736 -3.199 18.681 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.110 -3.176 17.525 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.860 -3.156 16.635 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.395 -2.926 17.466 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.748 -4.447 15.833 1.00 0.00 C ATOM 0 H LEU A 116 -1.788 -0.812 16.949 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.735 -2.755 16.152 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.833 -2.848 18.527 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.463 -4.204 17.612 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.957 -2.327 15.934 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.267 -2.916 16.813 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.318 -1.970 17.984 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.499 -3.727 18.198 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.145 -4.411 15.209 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.680 -5.294 16.515 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.628 -4.560 15.200 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.856 -0.986 18.335 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.911 -0.807 19.329 1.00 0.00 C ATOM 1913 C HIS A 117 -7.211 -0.374 18.658 1.00 0.00 C ATOM 1914 O HIS A 117 -8.222 -1.075 18.714 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.490 0.231 20.373 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.060 0.109 20.801 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.682 -0.328 22.053 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -2.912 0.369 20.133 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.364 -0.331 22.137 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -1.873 0.087 20.985 1.00 0.00 N ATOM 0 H HIS A 117 -4.560 -0.130 17.866 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.076 -1.762 19.828 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.655 1.229 19.967 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.132 0.133 21.249 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -2.829 0.731 19.119 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.786 -0.625 23.001 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.882 0.185 20.764 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.162 0.788 18.027 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.312 1.353 17.329 1.00 0.00 C ATOM 1931 C ARG A 118 -8.369 0.879 15.876 1.00 0.00 C ATOM 1932 O ARG A 118 -9.386 1.043 15.203 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.261 2.885 17.372 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.406 3.441 18.503 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.015 3.132 19.861 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.118 3.491 20.958 1.00 0.00 N ATOM 1937 CZ ARG A 118 -6.977 4.728 21.427 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -7.669 5.729 20.897 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -6.142 4.965 22.429 1.00 0.00 N ATOM 0 H ARG A 118 -6.325 1.369 17.983 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.212 1.007 17.838 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.874 3.253 16.422 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.276 3.270 17.473 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.404 3.016 18.447 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.302 4.520 18.386 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.955 3.674 19.969 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.252 2.070 19.919 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.567 2.749 21.390 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.313 5.552 20.126 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.557 6.675 21.261 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.608 4.199 22.840 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.033 5.913 22.789 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.267 0.301 15.398 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.185 -0.193 14.023 1.00 0.00 C ATOM 1955 C LEU A 119 -7.237 0.952 13.024 1.00 0.00 C ATOM 1956 O LEU A 119 -7.892 0.874 11.982 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.308 -1.176 13.738 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.008 -2.635 14.092 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.097 -3.548 13.550 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.644 -3.045 13.552 1.00 0.00 C ATOM 0 H LEU A 119 -6.417 0.163 15.944 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.229 -0.705 13.913 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.193 -0.860 14.290 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.557 -1.121 12.678 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.989 -2.731 15.178 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.868 -4.581 13.810 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.056 -3.268 13.985 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.148 -3.450 12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.447 -4.085 13.813 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.634 -2.935 12.468 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.874 -2.409 13.989 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.529 2.008 13.359 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.452 3.195 12.518 1.00 0.00 C ATOM 1974 C ASP A 120 -5.115 3.898 12.723 1.00 0.00 C ATOM 1975 O ASP A 120 -4.572 3.900 13.828 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.604 4.153 12.831 1.00 0.00 C ATOM 1977 CG ASP A 120 -7.684 4.503 14.304 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -6.626 4.773 14.908 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -8.806 4.508 14.853 1.00 0.00 O ATOM 0 H ASP A 120 -5.988 2.074 14.221 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.533 2.885 11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.480 5.067 12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.544 3.700 12.517 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.579 4.483 11.658 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.304 5.162 11.766 1.00 0.00 C ATOM 1986 C GLY A 121 -3.114 6.254 10.731 1.00 0.00 C ATOM 1987 O GLY A 121 -3.963 7.133 10.581 1.00 0.00 O ATOM 0 H GLY A 121 -5.001 4.499 10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.215 5.596 12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.502 4.431 11.664 1.00 0.00 H new ATOM 1991 N MET A 122 -1.989 6.202 10.027 1.00 0.00 N ATOM 1992 CA MET A 122 -1.677 7.201 9.011 1.00 0.00 C ATOM 1993 C MET A 122 -1.166 6.547 7.730 1.00 0.00 C ATOM 1994 O MET A 122 -0.208 5.776 7.754 1.00 0.00 O ATOM 1995 CB MET A 122 -0.633 8.185 9.551 1.00 0.00 C ATOM 1996 CG MET A 122 -0.116 9.170 8.511 1.00 0.00 C ATOM 1997 SD MET A 122 -0.228 10.886 9.053 1.00 0.00 S ATOM 1998 CE MET A 122 -1.929 10.956 9.609 1.00 0.00 C ATOM 0 H MET A 122 -1.278 5.479 10.141 1.00 0.00 H new ATOM 0 HA MET A 122 -2.594 7.740 8.771 1.00 0.00 H new ATOM 0 HB2 MET A 122 -1.069 8.743 10.380 1.00 0.00 H new ATOM 0 HB3 MET A 122 0.209 7.622 9.953 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.923 8.934 8.280 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.684 9.048 7.589 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.428 11.809 9.148 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.443 10.038 9.325 1.00 0.00 H new ATOM 0 HE3 MET A 122 -1.953 11.064 10.693 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.810 6.869 6.613 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.404 6.312 5.337 1.00 0.00 C ATOM 2010 C GLY A 123 -0.804 7.357 4.419 1.00 0.00 C ATOM 2011 O GLY A 123 -0.760 8.539 4.761 1.00 0.00 O ATOM 0 H GLY A 123 -2.606 7.506 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.676 5.518 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.267 5.857 4.851 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.339 6.924 3.253 1.00 0.00 N ATOM 2016 CA CYS A 124 0.263 7.837 2.289 1.00 0.00 C ATOM 2017 C CYS A 124 0.615 7.114 0.994 1.00 0.00 C ATOM 2018 O CYS A 124 1.008 5.948 1.010 1.00 0.00 O ATOM 2019 CB CYS A 124 1.518 8.480 2.885 1.00 0.00 C ATOM 2020 SG CYS A 124 2.876 7.322 3.178 1.00 0.00 S ATOM 0 H CYS A 124 -0.367 5.950 2.953 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.466 8.615 2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.864 9.266 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.254 8.959 3.828 1.00 0.00 H new ATOM 0 HG CYS A 124 3.891 7.961 3.680 1.00 0.00 H new ATOM 2026 N LEU A 125 0.478 7.816 -0.126 1.00 0.00 N ATOM 2027 CA LEU A 125 0.792 7.239 -1.428 1.00 0.00 C ATOM 2028 C LEU A 125 2.158 7.718 -1.914 1.00 0.00 C ATOM 2029 O LEU A 125 2.648 8.761 -1.486 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.283 7.607 -2.455 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.575 6.793 -2.376 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.499 7.148 -3.532 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.269 5.306 -2.373 1.00 0.00 C ATOM 0 H LEU A 125 0.153 8.782 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 125 0.818 6.155 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.531 8.662 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.138 7.491 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.082 7.040 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.414 6.560 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.746 8.209 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.000 6.930 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.201 4.743 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.740 5.041 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.646 5.064 -1.512 1.00 0.00 H new ATOM 2045 N GLU A 126 2.765 6.947 -2.807 1.00 0.00 N ATOM 2046 CA GLU A 126 4.069 7.288 -3.355 1.00 0.00 C ATOM 2047 C GLU A 126 4.204 6.735 -4.766 1.00 0.00 C ATOM 2048 O GLU A 126 3.514 5.790 -5.133 1.00 0.00 O ATOM 2049 CB GLU A 126 5.184 6.734 -2.466 1.00 0.00 C ATOM 2050 CG GLU A 126 6.445 7.583 -2.471 1.00 0.00 C ATOM 2051 CD GLU A 126 6.237 8.940 -1.826 1.00 0.00 C ATOM 2052 OE1 GLU A 126 5.661 8.989 -0.719 1.00 0.00 O ATOM 2053 OE2 GLU A 126 6.653 9.953 -2.427 1.00 0.00 O ATOM 0 H GLU A 126 2.372 6.078 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 126 4.158 8.374 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.815 6.652 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.434 5.726 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.238 7.052 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.782 7.721 -3.498 1.00 0.00 H new ATOM 2060 N PHE A 127 5.091 7.320 -5.555 1.00 0.00 N ATOM 2061 CA PHE A 127 5.302 6.866 -6.916 1.00 0.00 C ATOM 2062 C PHE A 127 6.658 6.172 -7.018 1.00 0.00 C ATOM 2063 O PHE A 127 7.676 6.717 -6.592 1.00 0.00 O ATOM 2064 CB PHE A 127 5.191 8.057 -7.872 1.00 0.00 C ATOM 2065 CG PHE A 127 5.957 7.911 -9.148 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.317 8.127 -9.171 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.311 7.570 -10.323 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.028 8.003 -10.347 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.017 7.444 -11.504 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.381 7.662 -11.512 1.00 0.00 C ATOM 0 H PHE A 127 5.674 8.109 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 127 4.538 6.141 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.140 8.215 -8.112 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.539 8.952 -7.356 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.832 8.396 -8.260 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.244 7.401 -10.317 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.094 8.174 -10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.505 7.176 -12.416 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.939 7.565 -12.432 1.00 0.00 H new ATOM 2080 N ASP A 128 6.662 4.955 -7.554 1.00 0.00 N ATOM 2081 CA ASP A 128 7.894 4.182 -7.673 1.00 0.00 C ATOM 2082 C ASP A 128 8.610 4.461 -8.990 1.00 0.00 C ATOM 2083 O ASP A 128 8.175 4.016 -10.052 1.00 0.00 O ATOM 2084 CB ASP A 128 7.599 2.687 -7.549 1.00 0.00 C ATOM 2085 CG ASP A 128 6.686 2.184 -8.650 1.00 0.00 C ATOM 2086 OD1 ASP A 128 7.205 1.786 -9.714 1.00 0.00 O ATOM 2087 OD2 ASP A 128 5.455 2.185 -8.446 1.00 0.00 O ATOM 0 H ASP A 128 5.830 4.485 -7.911 1.00 0.00 H new ATOM 0 HA ASP A 128 8.552 4.489 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 128 8.536 2.131 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.139 2.489 -6.581 1.00 0.00 H new ATOM 2092 N GLU A 129 9.715 5.195 -8.907 1.00 0.00 N ATOM 2093 CA GLU A 129 10.506 5.533 -10.083 1.00 0.00 C ATOM 2094 C GLU A 129 11.304 4.323 -10.569 1.00 0.00 C ATOM 2095 O GLU A 129 11.628 4.218 -11.752 1.00 0.00 O ATOM 2096 CB GLU A 129 11.459 6.688 -9.766 1.00 0.00 C ATOM 2097 CG GLU A 129 10.817 7.803 -8.954 1.00 0.00 C ATOM 2098 CD GLU A 129 11.582 8.117 -7.683 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.680 8.705 -7.781 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.083 7.776 -6.590 1.00 0.00 O ATOM 0 H GLU A 129 10.084 5.568 -8.032 1.00 0.00 H new ATOM 0 HA GLU A 129 9.822 5.839 -10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.318 6.299 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.838 7.102 -10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.753 8.702 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.796 7.519 -8.698 1.00 0.00 H new