USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 858 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 54 GLN :FLIP amide:sc= -0.7 F(o=-3.3!,f=-0.74) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0427 X(o=-0.74,f=-0.75) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -0.93 F(o=-6.8!,f=-0.82) USER MOD Set 2.2: A 84 CYS SG : rot 83:sc= 0.112 USER MOD Set 3.1: A 22 LYS NZ :NH3+ 154:sc= 0.399 (180deg=-0.0109) USER MOD Set 3.2: A 24 SER OG : rot -50:sc= 0.607 USER MOD Set 4.1: A 11 GLN : amide:sc= 0.593 X(o=0.69,f=0.21) USER MOD Set 4.2: A 20 TYR OH : rot 174:sc= 0.0967 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.157 F(o=-5.4!,f=-0.16) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0835 F(o=-0.78,f=-0.084) USER MOD Single : A 21 MET CE :methyl 144:sc= -1.31 (180deg=-5.82!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -100:sc= -0.0924 USER MOD Single : A 30 CYS SG : rot -53:sc= -0.148 USER MOD Single : A 33 SER OG : rot -121:sc= 1.43 USER MOD Single : A 38 GLN :FLIP amide:sc= -1 F(o=-3.8!,f=-1) USER MOD Single : A 43 CYS SG : rot -75:sc= -2.46! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000957) USER MOD Single : A 65 TYR OH : rot -61:sc= -1.88! USER MOD Single : A 67 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -1.92! C(o=-3.4!,f=-1.9!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00298 K(o=-0.003,f=-0.86) USER MOD Single : A 97 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.73) USER MOD Single : A 98 GLN : amide:sc= -0.0649 X(o=-0.065,f=-0.065) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc=-0.00988 (180deg=-0.196) USER MOD Single : A 103 THR OG1 : rot 85:sc= 0.615 USER MOD Single : A 106 LYS NZ :NH3+ -125:sc= -0.192 (180deg=-0.647) USER MOD Single : A 107 TYR OH : rot 180:sc= 1.2 USER MOD Single : A 108 LYS NZ :NH3+ -116:sc= 1.21 (180deg=-0.563) USER MOD Single : A 109 SER OG : rot 44:sc= 0.206 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.456 8.476 3.630 1.00 0.00 N ATOM 60 CA ILE A 5 12.068 8.716 3.998 1.00 0.00 C ATOM 61 C ILE A 5 11.551 10.069 3.521 1.00 0.00 C ATOM 62 O ILE A 5 10.361 10.209 3.239 1.00 0.00 O ATOM 63 CB ILE A 5 11.914 8.608 5.527 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.122 7.171 5.969 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.545 9.077 5.969 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.299 7.006 7.461 1.00 0.00 C ATOM 0 HA ILE A 5 11.468 7.955 3.500 1.00 0.00 H new ATOM 0 HB ILE A 5 12.667 9.247 5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.268 6.575 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.000 6.769 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.463 8.990 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.405 10.118 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.779 8.461 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.442 5.951 7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.171 7.572 7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.412 7.375 7.976 1.00 0.00 H new ATOM 78 N GLU A 6 12.403 11.083 3.571 1.00 0.00 N ATOM 79 CA GLU A 6 11.973 12.450 3.294 1.00 0.00 C ATOM 80 C GLU A 6 11.215 12.539 1.973 1.00 0.00 C ATOM 81 O GLU A 6 10.075 12.991 1.934 1.00 0.00 O ATOM 82 CB GLU A 6 13.182 13.388 3.247 1.00 0.00 C ATOM 83 CG GLU A 6 14.082 13.317 4.473 1.00 0.00 C ATOM 84 CD GLU A 6 13.388 13.689 5.770 1.00 0.00 C ATOM 85 OE1 GLU A 6 12.175 13.983 5.756 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.062 13.685 6.819 1.00 0.00 O ATOM 0 H GLU A 6 13.392 10.988 3.800 1.00 0.00 H new ATOM 0 HA GLU A 6 11.304 12.753 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.774 13.153 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.827 14.412 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.478 12.306 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.934 13.981 4.325 1.00 0.00 H new ATOM 93 N LYS A 7 11.829 12.048 0.906 1.00 0.00 N ATOM 94 CA LYS A 7 11.183 12.024 -0.403 1.00 0.00 C ATOM 95 C LYS A 7 9.997 11.068 -0.400 1.00 0.00 C ATOM 96 O LYS A 7 8.966 11.326 -1.021 1.00 0.00 O ATOM 97 CB LYS A 7 12.184 11.615 -1.487 1.00 0.00 C ATOM 98 CG LYS A 7 13.376 12.556 -1.609 1.00 0.00 C ATOM 99 CD LYS A 7 12.938 13.974 -1.951 1.00 0.00 C ATOM 100 CE LYS A 7 12.207 14.031 -3.285 1.00 0.00 C ATOM 101 NZ LYS A 7 11.776 15.412 -3.618 1.00 0.00 N ATOM 0 H LYS A 7 12.773 11.661 0.919 1.00 0.00 H new ATOM 0 HA LYS A 7 10.820 13.028 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.547 10.610 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.669 11.570 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.933 12.563 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.053 12.188 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.288 14.354 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.811 14.626 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.859 13.653 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.336 13.377 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.282 15.410 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.134 15.763 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.609 16.031 -3.676 1.00 0.00 H new ATOM 115 N ILE A 8 10.187 9.936 0.260 1.00 0.00 N ATOM 116 CA ILE A 8 9.183 8.885 0.308 1.00 0.00 C ATOM 117 C ILE A 8 7.865 9.358 0.925 1.00 0.00 C ATOM 118 O ILE A 8 6.801 9.102 0.371 1.00 0.00 O ATOM 119 CB ILE A 8 9.720 7.663 1.068 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.882 7.048 0.281 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.611 6.652 1.302 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.565 5.899 0.986 1.00 0.00 C ATOM 0 H ILE A 8 11.040 9.720 0.776 1.00 0.00 H new ATOM 0 HA ILE A 8 8.970 8.603 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 8 10.088 7.974 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.510 6.699 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.619 7.824 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.010 5.793 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.817 7.113 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.210 6.324 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.375 5.520 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.970 6.245 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.843 5.102 1.167 1.00 0.00 H new ATOM 134 N GLN A 9 7.916 10.062 2.048 1.00 0.00 N ATOM 135 CA GLN A 9 6.681 10.555 2.653 1.00 0.00 C ATOM 136 C GLN A 9 5.949 11.513 1.731 1.00 0.00 C ATOM 137 O GLN A 9 4.723 11.475 1.645 1.00 0.00 O ATOM 138 CB GLN A 9 6.903 11.202 4.022 1.00 0.00 C ATOM 139 CG GLN A 9 7.295 10.218 5.107 1.00 0.00 C ATOM 140 CD GLN A 9 7.288 10.845 6.488 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.407 10.762 7.182 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.273 11.380 6.936 1.00 0.00 N flip ATOM 0 H GLN A 9 8.772 10.301 2.549 1.00 0.00 H new ATOM 0 HA GLN A 9 6.057 9.675 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.681 11.960 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.990 11.716 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.608 9.372 5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.289 9.825 4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.427 11.424 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.279 11.779 7.875 1.00 0.00 H new ATOM 151 N ARG A 10 6.698 12.304 0.978 1.00 0.00 N ATOM 152 CA ARG A 10 6.091 13.178 -0.011 1.00 0.00 C ATOM 153 C ARG A 10 5.325 12.375 -1.061 1.00 0.00 C ATOM 154 O ARG A 10 4.282 12.816 -1.542 1.00 0.00 O ATOM 155 CB ARG A 10 7.123 14.071 -0.710 1.00 0.00 C ATOM 156 CG ARG A 10 7.480 15.375 0.009 1.00 0.00 C ATOM 157 CD ARG A 10 8.233 15.191 1.312 1.00 0.00 C ATOM 158 NE ARG A 10 7.420 14.642 2.388 1.00 0.00 N ATOM 159 CZ ARG A 10 6.380 15.262 2.952 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.008 16.471 2.541 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.712 14.666 3.933 1.00 0.00 N ATOM 0 H ARG A 10 7.715 12.358 1.032 1.00 0.00 H new ATOM 0 HA ARG A 10 5.397 13.819 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.037 13.494 -0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.747 14.318 -1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.082 15.990 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.562 15.927 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.084 14.532 1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.635 16.154 1.628 1.00 0.00 H new ATOM 0 HE ARG A 10 7.663 13.715 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.518 16.933 1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.212 16.936 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.994 13.739 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.917 15.135 4.367 1.00 0.00 H new ATOM 175 N GLN A 11 5.870 11.226 -1.459 1.00 0.00 N ATOM 176 CA GLN A 11 5.241 10.431 -2.516 1.00 0.00 C ATOM 177 C GLN A 11 4.066 9.608 -1.991 1.00 0.00 C ATOM 178 O GLN A 11 3.057 9.465 -2.672 1.00 0.00 O ATOM 179 CB GLN A 11 6.248 9.535 -3.263 1.00 0.00 C ATOM 180 CG GLN A 11 6.937 8.485 -2.410 1.00 0.00 C ATOM 181 CD GLN A 11 7.845 7.580 -3.219 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.768 8.041 -3.886 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.599 6.280 -3.153 1.00 0.00 N ATOM 0 H GLN A 11 6.728 10.830 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 11 4.851 11.149 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.728 9.033 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.010 10.170 -3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.521 8.979 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.183 7.880 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.823 5.936 -2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.186 5.623 -3.667 1.00 0.00 H new ATOM 192 N ILE A 12 4.197 9.039 -0.802 1.00 0.00 N ATOM 193 CA ILE A 12 3.125 8.215 -0.257 1.00 0.00 C ATOM 194 C ILE A 12 1.865 9.041 -0.069 1.00 0.00 C ATOM 195 O ILE A 12 0.764 8.610 -0.407 1.00 0.00 O ATOM 196 CB ILE A 12 3.500 7.574 1.095 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.763 6.727 0.960 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.347 6.734 1.619 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.082 5.919 2.197 1.00 0.00 C ATOM 0 H ILE A 12 5.019 9.129 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 12 2.954 7.416 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 12 3.701 8.372 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.648 6.050 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.606 7.380 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.626 6.288 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.470 7.366 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.117 5.945 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.991 5.342 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.229 6.591 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.256 5.241 2.412 1.00 0.00 H new ATOM 211 N ALA A 13 2.049 10.222 0.490 1.00 0.00 N ATOM 212 CA ALA A 13 0.947 11.130 0.765 1.00 0.00 C ATOM 213 C ALA A 13 0.217 11.551 -0.510 1.00 0.00 C ATOM 214 O ALA A 13 -1.001 11.723 -0.500 1.00 0.00 O ATOM 215 CB ALA A 13 1.451 12.354 1.510 1.00 0.00 C ATOM 0 H ALA A 13 2.963 10.580 0.766 1.00 0.00 H new ATOM 0 HA ALA A 13 0.231 10.595 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.617 13.027 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.903 12.046 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.195 12.869 0.902 1.00 0.00 H new ATOM 221 N GLU A 14 0.968 11.794 -1.586 1.00 0.00 N ATOM 222 CA GLU A 14 0.364 12.281 -2.827 1.00 0.00 C ATOM 223 C GLU A 14 -0.477 11.202 -3.512 1.00 0.00 C ATOM 224 O GLU A 14 -1.459 11.516 -4.190 1.00 0.00 O ATOM 225 CB GLU A 14 1.402 12.855 -3.796 1.00 0.00 C ATOM 226 CG GLU A 14 2.438 11.861 -4.261 1.00 0.00 C ATOM 227 CD GLU A 14 3.406 12.458 -5.258 1.00 0.00 C ATOM 228 OE1 GLU A 14 4.093 13.442 -4.915 1.00 0.00 O ATOM 229 OE2 GLU A 14 3.474 11.953 -6.399 1.00 0.00 O ATOM 0 H GLU A 14 1.979 11.664 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.301 13.096 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.885 13.257 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.909 13.691 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.992 11.489 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.938 11.004 -4.713 1.00 0.00 H new ATOM 236 N ASN A 15 -0.108 9.934 -3.340 1.00 0.00 N ATOM 237 CA ASN A 15 -0.869 8.849 -3.950 1.00 0.00 C ATOM 238 C ASN A 15 -2.147 8.597 -3.167 1.00 0.00 C ATOM 239 O ASN A 15 -2.124 8.446 -1.946 1.00 0.00 O ATOM 240 CB ASN A 15 -0.041 7.562 -4.038 1.00 0.00 C ATOM 241 CG ASN A 15 1.121 7.668 -5.012 1.00 0.00 C ATOM 242 OD1 ASN A 15 2.331 7.475 -4.515 1.00 0.00 O flip ATOM 243 ND2 ASN A 15 0.932 7.913 -6.203 1.00 0.00 N flip ATOM 0 H ASN A 15 0.700 9.637 -2.792 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.125 9.152 -4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.343 7.316 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.689 6.740 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.016 8.056 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.724 7.973 -6.843 1.00 0.00 H new ATOM 250 N PRO A 16 -3.291 8.605 -3.864 1.00 0.00 N ATOM 251 CA PRO A 16 -4.607 8.436 -3.238 1.00 0.00 C ATOM 252 C PRO A 16 -4.742 7.115 -2.522 1.00 0.00 C ATOM 253 O PRO A 16 -5.261 7.038 -1.413 1.00 0.00 O ATOM 254 CB PRO A 16 -5.560 8.434 -4.437 1.00 0.00 C ATOM 255 CG PRO A 16 -4.838 9.185 -5.500 1.00 0.00 C ATOM 256 CD PRO A 16 -3.394 8.842 -5.316 1.00 0.00 C ATOM 0 HA PRO A 16 -4.795 9.209 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.790 7.418 -4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.508 8.912 -4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.187 8.897 -6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.002 10.258 -5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.113 7.959 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.742 9.653 -5.640 1.00 0.00 H new ATOM 264 N ILE A 17 -4.269 6.082 -3.177 1.00 0.00 N ATOM 265 CA ILE A 17 -4.337 4.739 -2.650 1.00 0.00 C ATOM 266 C ILE A 17 -3.021 4.077 -2.993 1.00 0.00 C ATOM 267 O ILE A 17 -2.595 4.138 -4.147 1.00 0.00 O ATOM 268 CB ILE A 17 -5.493 3.931 -3.309 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.822 4.717 -3.328 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.687 2.603 -2.594 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.371 5.083 -1.960 1.00 0.00 C ATOM 0 H ILE A 17 -3.825 6.149 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.522 4.767 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.204 3.749 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.677 5.633 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.569 4.125 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.499 2.050 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.768 2.020 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.933 2.786 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.305 5.632 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.554 4.174 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.648 5.705 -1.432 1.00 0.00 H new ATOM 283 N LEU A 18 -2.287 3.633 -1.989 1.00 0.00 N ATOM 284 CA LEU A 18 -0.929 3.197 -2.230 1.00 0.00 C ATOM 285 C LEU A 18 -0.644 1.872 -1.547 1.00 0.00 C ATOM 286 O LEU A 18 -1.168 1.584 -0.484 1.00 0.00 O ATOM 287 CB LEU A 18 0.051 4.261 -1.755 1.00 0.00 C ATOM 288 CG LEU A 18 1.483 4.088 -2.243 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.527 4.083 -3.765 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.351 5.208 -1.693 1.00 0.00 C ATOM 0 H LEU A 18 -2.601 3.566 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.805 3.050 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.311 5.236 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.054 4.269 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 18 1.867 3.133 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.557 3.959 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.921 3.260 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.134 5.027 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.375 5.081 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.966 6.168 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.335 5.179 -0.603 1.00 0.00 H new ATOM 302 N LEU A 19 0.116 1.043 -2.215 1.00 0.00 N ATOM 303 CA LEU A 19 0.405 -0.292 -1.744 1.00 0.00 C ATOM 304 C LEU A 19 1.874 -0.617 -1.959 1.00 0.00 C ATOM 305 O LEU A 19 2.317 -0.744 -3.083 1.00 0.00 O ATOM 306 CB LEU A 19 -0.491 -1.269 -2.514 1.00 0.00 C ATOM 307 CG LEU A 19 -0.079 -2.736 -2.481 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.027 -3.264 -1.055 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.041 -3.560 -3.312 1.00 0.00 C ATOM 0 H LEU A 19 0.555 1.274 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 19 0.204 -0.372 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.503 -1.189 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.530 -0.949 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 19 0.923 -2.818 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.270 -4.313 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.698 -2.688 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.011 -3.170 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.741 -4.607 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.048 -3.460 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.027 -3.206 -4.343 1.00 0.00 H new ATOM 321 N TYR A 20 2.610 -0.839 -0.892 1.00 0.00 N ATOM 322 CA TYR A 20 3.999 -1.241 -1.027 1.00 0.00 C ATOM 323 C TYR A 20 4.122 -2.748 -0.930 1.00 0.00 C ATOM 324 O TYR A 20 3.760 -3.334 0.081 1.00 0.00 O ATOM 325 CB TYR A 20 4.865 -0.581 0.043 1.00 0.00 C ATOM 326 CG TYR A 20 5.210 0.866 -0.240 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.233 1.822 -0.469 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.538 1.263 -0.304 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.576 3.129 -0.747 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.886 2.566 -0.580 1.00 0.00 C ATOM 331 CZ TYR A 20 5.901 3.497 -0.803 1.00 0.00 C ATOM 332 OH TYR A 20 6.241 4.802 -1.078 1.00 0.00 O ATOM 0 H TYR A 20 2.278 -0.750 0.069 1.00 0.00 H new ATOM 0 HA TYR A 20 4.350 -0.915 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.346 -0.638 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.789 -1.149 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.191 1.540 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.316 0.534 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.804 3.864 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.926 2.854 -0.621 1.00 0.00 H new ATOM 0 HH TYR A 20 7.210 4.914 -0.985 1.00 0.00 H new ATOM 342 N MET A 21 4.615 -3.375 -1.993 1.00 0.00 N ATOM 343 CA MET A 21 4.757 -4.821 -2.016 1.00 0.00 C ATOM 344 C MET A 21 5.968 -5.283 -2.845 1.00 0.00 C ATOM 345 O MET A 21 6.846 -4.490 -3.180 1.00 0.00 O ATOM 346 CB MET A 21 3.460 -5.434 -2.527 1.00 0.00 C ATOM 347 CG MET A 21 3.013 -4.956 -3.903 1.00 0.00 C ATOM 348 SD MET A 21 1.412 -5.652 -4.362 1.00 0.00 S ATOM 349 CE MET A 21 1.123 -4.897 -5.958 1.00 0.00 C ATOM 0 H MET A 21 4.921 -2.905 -2.845 1.00 0.00 H new ATOM 0 HA MET A 21 4.949 -5.167 -1.000 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.576 -6.517 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.668 -5.218 -1.810 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.952 -3.868 -3.908 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.759 -5.237 -4.646 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.618 -5.609 -6.611 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.499 -4.012 -5.834 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.076 -4.610 -6.403 1.00 0.00 H new ATOM 359 N LYS A 22 6.038 -6.578 -3.141 1.00 0.00 N ATOM 360 CA LYS A 22 7.173 -7.123 -3.881 1.00 0.00 C ATOM 361 C LYS A 22 6.819 -7.233 -5.353 1.00 0.00 C ATOM 362 O LYS A 22 5.948 -7.995 -5.723 1.00 0.00 O ATOM 363 CB LYS A 22 7.546 -8.497 -3.312 1.00 0.00 C ATOM 364 CG LYS A 22 8.805 -9.112 -3.909 1.00 0.00 C ATOM 365 CD LYS A 22 9.197 -10.369 -3.146 1.00 0.00 C ATOM 366 CE LYS A 22 10.510 -10.960 -3.632 1.00 0.00 C ATOM 367 NZ LYS A 22 10.441 -11.424 -5.041 1.00 0.00 N ATOM 0 H LYS A 22 5.329 -7.265 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 22 8.030 -6.458 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.679 -8.405 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.712 -9.181 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.636 -9.354 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.621 -8.390 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.279 -10.135 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.407 -11.113 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.298 -10.212 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.787 -11.797 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.392 -11.400 -5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.074 -12.397 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.808 -10.800 -5.581 1.00 0.00 H new ATOM 381 N GLY A 23 7.415 -6.378 -6.158 1.00 0.00 N ATOM 382 CA GLY A 23 7.036 -6.283 -7.561 1.00 0.00 C ATOM 383 C GLY A 23 7.901 -7.123 -8.473 1.00 0.00 C ATOM 384 O GLY A 23 8.671 -6.590 -9.273 1.00 0.00 O ATOM 0 H GLY A 23 8.159 -5.741 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.997 -6.593 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.093 -5.241 -7.876 1.00 0.00 H new ATOM 388 N SER A 24 7.734 -8.432 -8.390 1.00 0.00 N ATOM 389 CA SER A 24 8.456 -9.351 -9.255 1.00 0.00 C ATOM 390 C SER A 24 7.810 -9.398 -10.642 1.00 0.00 C ATOM 391 O SER A 24 6.604 -9.212 -10.772 1.00 0.00 O ATOM 392 CB SER A 24 8.485 -10.738 -8.616 1.00 0.00 C ATOM 393 OG SER A 24 9.103 -10.680 -7.340 1.00 0.00 O ATOM 0 H SER A 24 7.102 -8.884 -7.729 1.00 0.00 H new ATOM 0 HA SER A 24 9.481 -9.001 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.470 -11.122 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.028 -11.431 -9.259 1.00 0.00 H new ATOM 0 HG SER A 24 9.959 -10.209 -7.412 1.00 0.00 H new ATOM 399 N PRO A 25 8.604 -9.587 -11.705 1.00 0.00 N ATOM 400 CA PRO A 25 8.091 -9.597 -13.080 1.00 0.00 C ATOM 401 C PRO A 25 6.977 -10.630 -13.277 1.00 0.00 C ATOM 402 O PRO A 25 5.956 -10.347 -13.907 1.00 0.00 O ATOM 403 CB PRO A 25 9.318 -9.961 -13.930 1.00 0.00 C ATOM 404 CG PRO A 25 10.350 -10.442 -12.964 1.00 0.00 C ATOM 405 CD PRO A 25 10.060 -9.752 -11.666 1.00 0.00 C ATOM 0 HA PRO A 25 7.645 -8.640 -13.350 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.074 -10.734 -14.659 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.677 -9.097 -14.489 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.301 -11.525 -12.849 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.354 -10.204 -13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.377 -10.349 -10.811 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.574 -8.794 -11.594 1.00 0.00 H new ATOM 413 N LYS A 26 7.160 -11.812 -12.696 1.00 0.00 N ATOM 414 CA LYS A 26 6.156 -12.871 -12.764 1.00 0.00 C ATOM 415 C LYS A 26 4.898 -12.497 -11.975 1.00 0.00 C ATOM 416 O LYS A 26 3.806 -12.991 -12.264 1.00 0.00 O ATOM 417 CB LYS A 26 6.715 -14.200 -12.245 1.00 0.00 C ATOM 418 CG LYS A 26 7.224 -14.143 -10.811 1.00 0.00 C ATOM 419 CD LYS A 26 7.608 -15.521 -10.294 1.00 0.00 C ATOM 420 CE LYS A 26 8.698 -16.170 -11.133 1.00 0.00 C ATOM 421 NZ LYS A 26 9.053 -17.520 -10.618 1.00 0.00 N ATOM 0 H LYS A 26 7.998 -12.062 -12.171 1.00 0.00 H new ATOM 0 HA LYS A 26 5.887 -12.990 -13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.937 -14.960 -12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.529 -14.518 -12.896 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.088 -13.481 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.454 -13.715 -10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.949 -15.437 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.727 -16.163 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.363 -16.251 -12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.584 -15.535 -11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.799 -17.934 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.396 -17.439 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.213 -18.132 -10.641 1.00 0.00 H new ATOM 435 N LEU A 27 5.079 -11.728 -10.908 1.00 0.00 N ATOM 436 CA LEU A 27 3.987 -11.418 -9.997 1.00 0.00 C ATOM 437 C LEU A 27 4.324 -10.132 -9.241 1.00 0.00 C ATOM 438 O LEU A 27 5.308 -10.089 -8.499 1.00 0.00 O ATOM 439 CB LEU A 27 3.846 -12.583 -9.006 1.00 0.00 C ATOM 440 CG LEU A 27 2.475 -12.777 -8.340 1.00 0.00 C ATOM 441 CD1 LEU A 27 2.510 -13.977 -7.408 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.032 -11.542 -7.585 1.00 0.00 C ATOM 0 H LEU A 27 5.973 -11.308 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 27 3.054 -11.279 -10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.100 -13.504 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.588 -12.448 -8.219 1.00 0.00 H new ATOM 0 HG LEU A 27 1.748 -12.955 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.533 -14.104 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.760 -14.872 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.262 -13.816 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.058 -11.723 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.759 -11.311 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.959 -10.701 -8.274 1.00 0.00 H new ATOM 454 N PRO A 28 3.545 -9.055 -9.450 1.00 0.00 N ATOM 455 CA PRO A 28 3.811 -7.750 -8.827 1.00 0.00 C ATOM 456 C PRO A 28 3.519 -7.714 -7.326 1.00 0.00 C ATOM 457 O PRO A 28 3.411 -6.642 -6.735 1.00 0.00 O ATOM 458 CB PRO A 28 2.862 -6.810 -9.568 1.00 0.00 C ATOM 459 CG PRO A 28 1.771 -7.670 -10.087 1.00 0.00 C ATOM 460 CD PRO A 28 2.384 -9.007 -10.356 1.00 0.00 C ATOM 0 HA PRO A 28 4.866 -7.486 -8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.471 -6.042 -8.901 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.375 -6.296 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.962 -7.752 -9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.342 -7.248 -10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.683 -9.816 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.687 -9.105 -11.399 1.00 0.00 H new ATOM 468 N SER A 29 3.519 -8.879 -6.707 1.00 0.00 N ATOM 469 CA SER A 29 3.378 -9.010 -5.270 1.00 0.00 C ATOM 470 C SER A 29 3.826 -10.395 -4.830 1.00 0.00 C ATOM 471 O SER A 29 3.087 -11.123 -4.167 1.00 0.00 O ATOM 472 CB SER A 29 1.950 -8.733 -4.839 1.00 0.00 C ATOM 473 OG SER A 29 1.009 -9.455 -5.617 1.00 0.00 O ATOM 0 H SER A 29 3.618 -9.770 -7.193 1.00 0.00 H new ATOM 0 HA SER A 29 4.015 -8.270 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.831 -8.998 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.747 -7.665 -4.923 1.00 0.00 H new ATOM 0 HG SER A 29 0.627 -8.865 -6.300 1.00 0.00 H new ATOM 479 N CYS A 30 5.016 -10.773 -5.278 1.00 0.00 N ATOM 480 CA CYS A 30 5.570 -12.104 -5.023 1.00 0.00 C ATOM 481 C CYS A 30 5.991 -12.260 -3.558 1.00 0.00 C ATOM 482 O CYS A 30 7.143 -12.565 -3.256 1.00 0.00 O ATOM 483 CB CYS A 30 6.761 -12.337 -5.942 1.00 0.00 C ATOM 484 SG CYS A 30 7.427 -14.018 -5.919 1.00 0.00 S ATOM 0 H CYS A 30 5.627 -10.169 -5.828 1.00 0.00 H new ATOM 0 HA CYS A 30 4.799 -12.847 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.466 -12.093 -6.963 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.555 -11.644 -5.665 1.00 0.00 H new ATOM 0 HG CYS A 30 7.678 -14.369 -4.693 1.00 0.00 H new ATOM 490 N GLY A 31 5.066 -11.986 -2.664 1.00 0.00 N ATOM 491 CA GLY A 31 5.353 -12.028 -1.248 1.00 0.00 C ATOM 492 C GLY A 31 4.091 -12.062 -0.410 1.00 0.00 C ATOM 493 O GLY A 31 3.163 -12.813 -0.707 1.00 0.00 O ATOM 0 H GLY A 31 4.106 -11.731 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.958 -12.908 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.947 -11.156 -0.973 1.00 0.00 H new ATOM 497 N PHE A 32 4.048 -11.248 0.635 1.00 0.00 N ATOM 498 CA PHE A 32 2.880 -11.213 1.517 1.00 0.00 C ATOM 499 C PHE A 32 1.721 -10.461 0.899 1.00 0.00 C ATOM 500 O PHE A 32 0.582 -10.627 1.300 1.00 0.00 O ATOM 501 CB PHE A 32 3.191 -10.604 2.876 1.00 0.00 C ATOM 502 CG PHE A 32 4.007 -11.480 3.770 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.380 -11.569 3.625 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.389 -12.194 4.781 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.126 -12.368 4.472 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.128 -12.993 5.633 1.00 0.00 C ATOM 507 CZ PHE A 32 5.498 -13.081 5.478 1.00 0.00 C ATOM 0 H PHE A 32 4.798 -10.607 0.895 1.00 0.00 H new ATOM 0 HA PHE A 32 2.597 -12.256 1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.721 -9.663 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.253 -10.366 3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.873 -11.010 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.318 -12.126 4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.197 -12.435 4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.636 -13.547 6.418 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.078 -13.706 6.141 1.00 0.00 H new ATOM 517 N SER A 33 2.003 -9.590 -0.028 1.00 0.00 N ATOM 518 CA SER A 33 0.951 -8.802 -0.631 1.00 0.00 C ATOM 519 C SER A 33 0.132 -9.650 -1.604 1.00 0.00 C ATOM 520 O SER A 33 -0.893 -9.203 -2.096 1.00 0.00 O ATOM 521 CB SER A 33 1.525 -7.601 -1.343 1.00 0.00 C ATOM 522 OG SER A 33 0.504 -6.731 -1.790 1.00 0.00 O ATOM 0 H SER A 33 2.941 -9.404 -0.384 1.00 0.00 H new ATOM 0 HA SER A 33 0.293 -8.452 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.195 -7.064 -0.672 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.122 -7.931 -2.193 1.00 0.00 H new ATOM 0 HG SER A 33 0.563 -6.631 -2.763 1.00 0.00 H new ATOM 528 N ALA A 34 0.625 -10.846 -1.926 1.00 0.00 N ATOM 529 CA ALA A 34 -0.038 -11.716 -2.898 1.00 0.00 C ATOM 530 C ALA A 34 -1.517 -11.886 -2.568 1.00 0.00 C ATOM 531 O ALA A 34 -2.374 -11.773 -3.436 1.00 0.00 O ATOM 532 CB ALA A 34 0.650 -13.073 -2.954 1.00 0.00 C ATOM 0 H ALA A 34 1.480 -11.234 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 34 0.037 -11.242 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.144 -13.708 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.691 -12.941 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.608 -13.543 -1.971 1.00 0.00 H new ATOM 538 N GLN A 35 -1.812 -12.088 -1.294 1.00 0.00 N ATOM 539 CA GLN A 35 -3.195 -12.186 -0.841 1.00 0.00 C ATOM 540 C GLN A 35 -3.822 -10.791 -0.758 1.00 0.00 C ATOM 541 O GLN A 35 -5.011 -10.611 -1.028 1.00 0.00 O ATOM 542 CB GLN A 35 -3.316 -12.889 0.530 1.00 0.00 C ATOM 543 CG GLN A 35 -2.553 -14.209 0.640 1.00 0.00 C ATOM 544 CD GLN A 35 -1.064 -14.029 0.893 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.659 -12.806 1.193 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.296 -14.991 0.872 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.116 -12.187 -0.555 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.729 -12.793 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.956 -12.211 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.370 -13.076 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.982 -14.801 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.691 -14.777 -0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.647 -15.919 0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.692 -14.860 1.091 1.00 0.00 H new ATOM 555 N ALA A 36 -3.024 -9.829 -0.297 1.00 0.00 N ATOM 556 CA ALA A 36 -3.488 -8.466 -0.057 1.00 0.00 C ATOM 557 C ALA A 36 -3.965 -7.793 -1.330 1.00 0.00 C ATOM 558 O ALA A 36 -5.013 -7.147 -1.355 1.00 0.00 O ATOM 559 CB ALA A 36 -2.372 -7.650 0.565 1.00 0.00 C ATOM 0 H ALA A 36 -2.038 -9.974 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.337 -8.521 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.721 -6.633 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.074 -8.102 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.517 -7.627 -0.111 1.00 0.00 H new ATOM 565 N VAL A 37 -3.168 -7.928 -2.370 1.00 0.00 N ATOM 566 CA VAL A 37 -3.454 -7.317 -3.655 1.00 0.00 C ATOM 567 C VAL A 37 -4.816 -7.769 -4.164 1.00 0.00 C ATOM 568 O VAL A 37 -5.583 -6.978 -4.718 1.00 0.00 O ATOM 569 CB VAL A 37 -2.355 -7.649 -4.695 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.257 -9.142 -4.958 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.590 -6.895 -5.996 1.00 0.00 C ATOM 0 H VAL A 37 -2.301 -8.465 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.468 -6.236 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.405 -7.324 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.475 -9.331 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.016 -9.660 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.210 -9.507 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.805 -7.146 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.559 -7.176 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.575 -5.822 -5.803 1.00 0.00 H new ATOM 581 N GLN A 38 -5.119 -9.042 -3.948 1.00 0.00 N ATOM 582 CA GLN A 38 -6.390 -9.590 -4.363 1.00 0.00 C ATOM 583 C GLN A 38 -7.512 -8.964 -3.551 1.00 0.00 C ATOM 584 O GLN A 38 -8.516 -8.526 -4.105 1.00 0.00 O ATOM 585 CB GLN A 38 -6.415 -11.112 -4.188 1.00 0.00 C ATOM 586 CG GLN A 38 -5.167 -11.827 -4.695 1.00 0.00 C ATOM 587 CD GLN A 38 -4.828 -11.565 -6.161 1.00 0.00 C ATOM 588 OE1 GLN A 38 -5.698 -10.880 -6.891 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -3.794 -12.018 -6.647 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.499 -9.708 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.531 -9.362 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.545 -11.341 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.285 -11.511 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.318 -11.525 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.298 -12.900 -4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.142 -12.541 -6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.588 -11.871 -7.635 1.00 0.00 H new ATOM 598 N ALA A 39 -7.319 -8.916 -2.238 1.00 0.00 N ATOM 599 CA ALA A 39 -8.300 -8.343 -1.324 1.00 0.00 C ATOM 600 C ALA A 39 -8.589 -6.878 -1.641 1.00 0.00 C ATOM 601 O ALA A 39 -9.731 -6.437 -1.546 1.00 0.00 O ATOM 602 CB ALA A 39 -7.827 -8.487 0.116 1.00 0.00 C ATOM 0 H ALA A 39 -6.481 -9.272 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.230 -8.896 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.569 -8.055 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.695 -9.543 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.878 -7.966 0.241 1.00 0.00 H new ATOM 608 N LEU A 40 -7.545 -6.109 -1.929 1.00 0.00 N ATOM 609 CA LEU A 40 -7.691 -4.671 -2.154 1.00 0.00 C ATOM 610 C LEU A 40 -8.577 -4.421 -3.359 1.00 0.00 C ATOM 611 O LEU A 40 -9.604 -3.751 -3.268 1.00 0.00 O ATOM 612 CB LEU A 40 -6.330 -4.051 -2.445 1.00 0.00 C ATOM 613 CG LEU A 40 -6.120 -2.605 -1.958 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.761 -2.088 -2.409 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.228 -1.675 -2.437 1.00 0.00 C ATOM 0 H LEU A 40 -6.589 -6.454 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.130 -4.229 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.564 -4.679 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.166 -4.076 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.154 -2.618 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.626 -1.065 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.976 -2.720 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.707 -2.108 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.040 -0.666 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.251 -1.667 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.187 -2.026 -2.057 1.00 0.00 H new ATOM 627 N ALA A 41 -8.159 -4.986 -4.484 1.00 0.00 N ATOM 628 CA ALA A 41 -8.885 -4.857 -5.731 1.00 0.00 C ATOM 629 C ALA A 41 -10.275 -5.454 -5.593 1.00 0.00 C ATOM 630 O ALA A 41 -11.215 -5.049 -6.277 1.00 0.00 O ATOM 631 CB ALA A 41 -8.119 -5.531 -6.858 1.00 0.00 C ATOM 0 H ALA A 41 -7.308 -5.545 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.988 -3.799 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.676 -5.427 -7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.141 -5.061 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.990 -6.589 -6.629 1.00 0.00 H new ATOM 637 N ALA A 42 -10.383 -6.444 -4.718 1.00 0.00 N ATOM 638 CA ALA A 42 -11.654 -7.128 -4.496 1.00 0.00 C ATOM 639 C ALA A 42 -12.633 -6.253 -3.726 1.00 0.00 C ATOM 640 O ALA A 42 -13.795 -6.129 -4.108 1.00 0.00 O ATOM 641 CB ALA A 42 -11.447 -8.443 -3.760 1.00 0.00 C ATOM 0 H ALA A 42 -9.610 -6.792 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.080 -7.337 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.410 -8.931 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.800 -9.092 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.982 -8.250 -2.793 1.00 0.00 H new ATOM 647 N CYS A 43 -12.182 -5.698 -2.606 1.00 0.00 N ATOM 648 CA CYS A 43 -13.058 -4.902 -1.762 1.00 0.00 C ATOM 649 C CYS A 43 -13.289 -3.518 -2.356 1.00 0.00 C ATOM 650 O CYS A 43 -14.429 -3.106 -2.561 1.00 0.00 O ATOM 651 CB CYS A 43 -12.496 -4.806 -0.341 1.00 0.00 C ATOM 652 SG CYS A 43 -10.839 -4.095 -0.218 1.00 0.00 S ATOM 0 H CYS A 43 -11.224 -5.785 -2.266 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.025 -5.403 -1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -13.177 -4.207 0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.479 -5.805 0.095 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.961 -4.970 -0.610 1.00 0.00 H new ATOM 658 N GLY A 44 -12.209 -2.824 -2.666 1.00 0.00 N ATOM 659 CA GLY A 44 -12.322 -1.517 -3.274 1.00 0.00 C ATOM 660 C GLY A 44 -12.096 -1.553 -4.769 1.00 0.00 C ATOM 661 O GLY A 44 -12.574 -2.454 -5.464 1.00 0.00 O ATOM 0 H GLY A 44 -11.253 -3.142 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.312 -1.109 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.598 -0.843 -2.816 1.00 0.00 H new ATOM 665 N GLU A 45 -11.318 -0.594 -5.242 1.00 0.00 N ATOM 666 CA GLU A 45 -10.941 -0.498 -6.642 1.00 0.00 C ATOM 667 C GLU A 45 -9.499 -0.038 -6.797 1.00 0.00 C ATOM 668 O GLU A 45 -8.610 -0.511 -6.086 1.00 0.00 O ATOM 669 CB GLU A 45 -11.863 0.395 -7.475 1.00 0.00 C ATOM 670 CG GLU A 45 -13.233 -0.197 -7.745 1.00 0.00 C ATOM 671 CD GLU A 45 -13.901 0.449 -8.938 1.00 0.00 C ATOM 672 OE1 GLU A 45 -14.109 1.679 -8.927 1.00 0.00 O ATOM 673 OE2 GLU A 45 -14.189 -0.271 -9.919 1.00 0.00 O ATOM 0 H GLU A 45 -10.927 0.146 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.047 -1.510 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.987 1.348 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.379 0.608 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.138 -1.269 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.863 -0.072 -6.864 1.00 0.00 H new ATOM 680 N ARG A 46 -9.271 0.700 -7.881 1.00 0.00 N ATOM 681 CA ARG A 46 -7.939 1.046 -8.353 1.00 0.00 C ATOM 682 C ARG A 46 -7.055 1.568 -7.246 1.00 0.00 C ATOM 683 O ARG A 46 -7.515 2.164 -6.270 1.00 0.00 O ATOM 684 CB ARG A 46 -8.007 2.102 -9.450 1.00 0.00 C ATOM 685 CG ARG A 46 -8.945 1.771 -10.589 1.00 0.00 C ATOM 686 CD ARG A 46 -8.609 0.455 -11.266 1.00 0.00 C ATOM 687 NE ARG A 46 -9.528 0.181 -12.372 1.00 0.00 N ATOM 688 CZ ARG A 46 -10.844 -0.029 -12.232 1.00 0.00 C ATOM 689 NH1 ARG A 46 -11.375 -0.214 -11.026 1.00 0.00 N ATOM 690 NH2 ARG A 46 -11.618 -0.101 -13.305 1.00 0.00 N ATOM 0 H ARG A 46 -10.019 1.078 -8.462 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.508 0.124 -8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.316 3.048 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.006 2.252 -9.854 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.967 1.729 -10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.910 2.573 -11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.585 0.485 -11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.659 -0.355 -10.538 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.140 0.148 -13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.779 -0.197 -10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.378 -0.373 -10.929 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.212 0.003 -14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.620 -0.261 -13.201 1.00 0.00 H new ATOM 704 N PHE A 47 -5.789 1.261 -7.383 1.00 0.00 N ATOM 705 CA PHE A 47 -4.819 1.590 -6.374 1.00 0.00 C ATOM 706 C PHE A 47 -3.430 1.594 -6.977 1.00 0.00 C ATOM 707 O PHE A 47 -3.138 0.836 -7.907 1.00 0.00 O ATOM 708 CB PHE A 47 -4.911 0.583 -5.226 1.00 0.00 C ATOM 709 CG PHE A 47 -4.505 -0.825 -5.580 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.163 -1.171 -5.683 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.465 -1.805 -5.783 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.789 -2.466 -5.977 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.094 -3.103 -6.082 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.755 -3.434 -6.174 1.00 0.00 C ATOM 0 H PHE A 47 -5.405 0.778 -8.195 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.024 2.586 -5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.283 0.931 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.937 0.568 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.404 -0.418 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.512 -1.552 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.743 -2.723 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.850 -3.858 -6.244 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.464 -4.449 -6.400 1.00 0.00 H new ATOM 724 N ALA A 48 -2.567 2.404 -6.412 1.00 0.00 N ATOM 725 CA ALA A 48 -1.189 2.449 -6.844 1.00 0.00 C ATOM 726 C ALA A 48 -0.340 1.624 -5.910 1.00 0.00 C ATOM 727 O ALA A 48 -0.633 1.533 -4.724 1.00 0.00 O ATOM 728 CB ALA A 48 -0.681 3.874 -6.922 1.00 0.00 C ATOM 0 H ALA A 48 -2.795 3.043 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.125 2.029 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.359 3.872 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.285 4.437 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.750 4.339 -5.939 1.00 0.00 H new ATOM 734 N TYR A 49 0.656 0.964 -6.449 1.00 0.00 N ATOM 735 CA TYR A 49 1.473 0.082 -5.655 1.00 0.00 C ATOM 736 C TYR A 49 2.935 0.408 -5.922 1.00 0.00 C ATOM 737 O TYR A 49 3.302 0.794 -7.034 1.00 0.00 O ATOM 738 CB TYR A 49 1.172 -1.382 -6.001 1.00 0.00 C ATOM 739 CG TYR A 49 1.919 -1.910 -7.199 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.246 -2.291 -7.073 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.302 -2.067 -8.428 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.950 -2.796 -8.138 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.997 -2.582 -9.506 1.00 0.00 C ATOM 744 CZ TYR A 49 3.323 -2.942 -9.360 1.00 0.00 C ATOM 745 OH TYR A 49 4.013 -3.461 -10.435 1.00 0.00 O ATOM 0 H TYR A 49 0.919 1.021 -7.433 1.00 0.00 H new ATOM 0 HA TYR A 49 1.253 0.224 -4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.412 -2.002 -5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.102 -1.486 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.737 -2.188 -6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.266 -1.784 -8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.986 -3.077 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.505 -2.703 -10.460 1.00 0.00 H new ATOM 0 HH TYR A 49 3.423 -3.496 -11.216 1.00 0.00 H new ATOM 755 N VAL A 50 3.770 0.198 -4.932 1.00 0.00 N ATOM 756 CA VAL A 50 5.186 0.403 -5.091 1.00 0.00 C ATOM 757 C VAL A 50 5.923 -0.865 -4.725 1.00 0.00 C ATOM 758 O VAL A 50 5.778 -1.382 -3.616 1.00 0.00 O ATOM 759 CB VAL A 50 5.699 1.554 -4.199 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.173 1.816 -4.454 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.882 2.818 -4.416 1.00 0.00 C ATOM 0 H VAL A 50 3.489 -0.117 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 50 5.369 0.667 -6.133 1.00 0.00 H new ATOM 0 HB VAL A 50 5.581 1.252 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.514 2.631 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.746 0.916 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.318 2.089 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.264 3.613 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.957 3.125 -5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.838 2.624 -4.169 1.00 0.00 H new ATOM 771 N ASP A 51 6.782 -1.310 -5.619 1.00 0.00 N ATOM 772 CA ASP A 51 7.622 -2.445 -5.332 1.00 0.00 C ATOM 773 C ASP A 51 8.793 -2.023 -4.450 1.00 0.00 C ATOM 774 O ASP A 51 9.386 -0.966 -4.638 1.00 0.00 O ATOM 775 CB ASP A 51 8.079 -3.146 -6.622 1.00 0.00 C ATOM 776 CG ASP A 51 8.725 -2.230 -7.644 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.783 -1.653 -7.354 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.166 -2.091 -8.754 1.00 0.00 O ATOM 0 H ASP A 51 6.914 -0.903 -6.545 1.00 0.00 H new ATOM 0 HA ASP A 51 7.040 -3.180 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.786 -3.933 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.217 -3.631 -7.081 1.00 0.00 H new ATOM 783 N ILE A 52 9.020 -2.793 -3.401 1.00 0.00 N ATOM 784 CA ILE A 52 10.008 -2.449 -2.385 1.00 0.00 C ATOM 785 C ILE A 52 10.734 -3.681 -1.882 1.00 0.00 C ATOM 786 O ILE A 52 11.953 -3.666 -1.777 1.00 0.00 O ATOM 787 CB ILE A 52 9.417 -1.644 -1.204 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.915 -1.862 -1.079 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.735 -0.174 -1.337 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.539 -3.242 -0.634 1.00 0.00 C ATOM 0 H ILE A 52 8.530 -3.670 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 52 10.727 -1.795 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 52 9.884 -2.012 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.510 -1.139 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.447 -1.661 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.308 0.368 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.816 -0.035 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.311 0.207 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.454 -3.320 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.912 -3.971 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.977 -3.441 0.344 1.00 0.00 H new ATOM 802 N LEU A 53 10.034 -4.813 -1.807 1.00 0.00 N ATOM 803 CA LEU A 53 10.730 -6.079 -1.593 1.00 0.00 C ATOM 804 C LEU A 53 11.575 -6.401 -2.827 1.00 0.00 C ATOM 805 O LEU A 53 12.409 -7.301 -2.814 1.00 0.00 O ATOM 806 CB LEU A 53 9.792 -7.259 -1.271 1.00 0.00 C ATOM 807 CG LEU A 53 8.971 -7.160 0.019 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.785 -6.517 1.124 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.660 -6.429 -0.210 1.00 0.00 C ATOM 0 H LEU A 53 9.019 -4.880 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 53 11.360 -5.950 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.100 -7.380 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.393 -8.167 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 53 8.719 -8.172 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.183 -6.456 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.674 -7.117 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.084 -5.514 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.104 -6.378 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.864 -5.419 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.070 -6.965 -0.954 1.00 0.00 H new ATOM 821 N GLN A 54 11.375 -5.604 -3.875 1.00 0.00 N ATOM 822 CA GLN A 54 12.138 -5.724 -5.107 1.00 0.00 C ATOM 823 C GLN A 54 13.305 -4.710 -5.128 1.00 0.00 C ATOM 824 O GLN A 54 14.446 -5.092 -5.368 1.00 0.00 O ATOM 825 CB GLN A 54 11.186 -5.570 -6.318 1.00 0.00 C ATOM 826 CG GLN A 54 11.860 -5.677 -7.689 1.00 0.00 C ATOM 827 CD GLN A 54 12.493 -4.379 -8.182 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.152 -3.262 -7.556 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.226 -4.371 -9.170 1.00 0.00 N flip ATOM 0 H GLN A 54 10.679 -4.859 -3.890 1.00 0.00 H new ATOM 0 HA GLN A 54 12.592 -6.713 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.410 -6.333 -6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.688 -4.603 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.629 -6.448 -7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.121 -6.007 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.471 -5.248 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.589 -3.488 -9.529 1.00 0.00 H new ATOM 838 N ASN A 55 13.038 -3.439 -4.787 1.00 0.00 N ATOM 839 CA ASN A 55 14.104 -2.423 -4.690 1.00 0.00 C ATOM 840 C ASN A 55 14.952 -2.626 -3.447 1.00 0.00 C ATOM 841 O ASN A 55 14.427 -2.775 -2.355 1.00 0.00 O ATOM 842 CB ASN A 55 13.536 -0.995 -4.672 1.00 0.00 C ATOM 843 CG ASN A 55 12.908 -0.587 -5.988 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.553 -0.618 -7.035 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.653 -0.179 -5.947 1.00 0.00 N ATOM 0 H ASN A 55 12.103 -3.090 -4.575 1.00 0.00 H new ATOM 0 HA ASN A 55 14.724 -2.547 -5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.790 -0.917 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.335 -0.296 -4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.187 0.124 -6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.149 -0.167 -5.060 1.00 0.00 H new ATOM 852 N PRO A 56 16.278 -2.619 -3.594 1.00 0.00 N ATOM 853 CA PRO A 56 17.192 -2.785 -2.464 1.00 0.00 C ATOM 854 C PRO A 56 17.197 -1.579 -1.518 1.00 0.00 C ATOM 855 O PRO A 56 17.283 -1.736 -0.300 1.00 0.00 O ATOM 856 CB PRO A 56 18.560 -2.950 -3.131 1.00 0.00 C ATOM 857 CG PRO A 56 18.430 -2.279 -4.456 1.00 0.00 C ATOM 858 CD PRO A 56 16.994 -2.440 -4.872 1.00 0.00 C ATOM 0 HA PRO A 56 16.903 -3.627 -1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.348 -2.492 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.818 -4.003 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.699 -1.225 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.100 -2.731 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.634 -1.566 -5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.861 -3.299 -5.529 1.00 0.00 H new ATOM 866 N ASP A 57 17.220 -0.380 -2.090 1.00 0.00 N ATOM 867 CA ASP A 57 17.357 0.846 -1.291 1.00 0.00 C ATOM 868 C ASP A 57 16.066 1.223 -0.583 1.00 0.00 C ATOM 869 O ASP A 57 16.060 1.463 0.625 1.00 0.00 O ATOM 870 CB ASP A 57 17.798 2.019 -2.171 1.00 0.00 C ATOM 871 CG ASP A 57 19.168 1.830 -2.782 1.00 0.00 C ATOM 872 OD1 ASP A 57 20.160 1.766 -2.030 1.00 0.00 O ATOM 873 OD2 ASP A 57 19.263 1.740 -4.021 1.00 0.00 O ATOM 0 H ASP A 57 17.147 -0.225 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 57 18.115 0.638 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.069 2.159 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.797 2.931 -1.575 1.00 0.00 H new ATOM 878 N ILE A 58 15.001 1.363 -1.359 1.00 0.00 N ATOM 879 CA ILE A 58 13.721 1.825 -0.834 1.00 0.00 C ATOM 880 C ILE A 58 13.196 0.849 0.215 1.00 0.00 C ATOM 881 O ILE A 58 12.565 1.244 1.192 1.00 0.00 O ATOM 882 CB ILE A 58 12.684 1.998 -1.966 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.275 2.843 -3.103 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.426 2.668 -1.430 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.326 3.053 -4.263 1.00 0.00 C ATOM 0 H ILE A 58 14.997 1.163 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 58 13.880 2.797 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 58 12.426 1.012 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.570 3.814 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.181 2.360 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.703 2.784 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.993 2.052 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.680 3.648 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.814 3.659 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.050 2.087 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.430 3.564 -3.912 1.00 0.00 H new ATOM 897 N ARG A 59 13.497 -0.426 0.001 1.00 0.00 N ATOM 898 CA ARG A 59 13.105 -1.510 0.901 1.00 0.00 C ATOM 899 C ARG A 59 13.465 -1.195 2.351 1.00 0.00 C ATOM 900 O ARG A 59 12.787 -1.635 3.274 1.00 0.00 O ATOM 901 CB ARG A 59 13.840 -2.783 0.482 1.00 0.00 C ATOM 902 CG ARG A 59 13.374 -4.062 1.158 1.00 0.00 C ATOM 903 CD ARG A 59 14.253 -5.233 0.741 1.00 0.00 C ATOM 904 NE ARG A 59 14.394 -5.316 -0.714 1.00 0.00 N ATOM 905 CZ ARG A 59 15.132 -6.234 -1.343 1.00 0.00 C ATOM 906 NH1 ARG A 59 15.720 -7.206 -0.657 1.00 0.00 N ATOM 907 NH2 ARG A 59 15.272 -6.184 -2.662 1.00 0.00 N ATOM 0 H ARG A 59 14.026 -0.743 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 59 12.024 -1.636 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.735 -2.904 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.903 -2.652 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.407 -3.942 2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.337 -4.265 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.238 -5.128 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.824 -6.162 1.118 1.00 0.00 H new ATOM 0 HE ARG A 59 13.898 -4.630 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.609 -7.254 0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.283 -7.905 -1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.816 -5.444 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.836 -6.885 -3.142 1.00 0.00 H new ATOM 921 N ALA A 60 14.639 -0.610 2.537 1.00 0.00 N ATOM 922 CA ALA A 60 15.208 -0.444 3.867 1.00 0.00 C ATOM 923 C ALA A 60 14.679 0.773 4.627 1.00 0.00 C ATOM 924 O ALA A 60 14.712 0.769 5.851 1.00 0.00 O ATOM 925 CB ALA A 60 16.724 -0.372 3.762 1.00 0.00 C ATOM 0 H ALA A 60 15.218 -0.241 1.782 1.00 0.00 H new ATOM 0 HA ALA A 60 14.898 -1.314 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.152 -0.248 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 60 17.102 -1.292 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 60 17.006 0.476 3.137 1.00 0.00 H new ATOM 931 N GLU A 61 14.549 1.897 3.936 1.00 0.00 N ATOM 932 CA GLU A 61 14.449 3.186 4.634 1.00 0.00 C ATOM 933 C GLU A 61 13.067 3.501 5.224 1.00 0.00 C ATOM 934 O GLU A 61 12.971 3.852 6.401 1.00 0.00 O ATOM 935 CB GLU A 61 14.861 4.312 3.681 1.00 0.00 C ATOM 936 CG GLU A 61 16.253 4.130 3.091 1.00 0.00 C ATOM 937 CD GLU A 61 17.350 4.133 4.139 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.055 4.391 5.322 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.521 3.896 3.777 1.00 0.00 O ATOM 0 H GLU A 61 14.510 1.952 2.918 1.00 0.00 H new ATOM 0 HA GLU A 61 15.123 3.111 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.136 4.373 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.823 5.261 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.287 3.190 2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.443 4.927 2.372 1.00 0.00 H new ATOM 946 N LEU A 62 12.033 3.569 4.389 1.00 0.00 N ATOM 947 CA LEU A 62 10.737 4.079 4.858 1.00 0.00 C ATOM 948 C LEU A 62 9.910 3.093 5.709 1.00 0.00 C ATOM 949 O LEU A 62 9.073 3.551 6.486 1.00 0.00 O ATOM 950 CB LEU A 62 9.883 4.709 3.725 1.00 0.00 C ATOM 951 CG LEU A 62 9.199 3.787 2.696 1.00 0.00 C ATOM 952 CD1 LEU A 62 10.185 2.847 2.051 1.00 0.00 C ATOM 953 CD2 LEU A 62 8.016 3.064 3.313 1.00 0.00 C ATOM 0 H LEU A 62 12.058 3.287 3.409 1.00 0.00 H new ATOM 0 HA LEU A 62 11.018 4.879 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.104 5.309 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.525 5.396 3.174 1.00 0.00 H new ATOM 0 HG LEU A 62 8.804 4.410 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.666 2.213 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.955 3.423 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.648 2.224 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.552 2.421 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.357 2.458 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.287 3.794 3.666 1.00 0.00 H new ATOM 965 N PRO A 63 10.068 1.748 5.598 1.00 0.00 N ATOM 966 CA PRO A 63 9.257 0.817 6.394 1.00 0.00 C ATOM 967 C PRO A 63 9.382 1.127 7.871 1.00 0.00 C ATOM 968 O PRO A 63 8.388 1.195 8.602 1.00 0.00 O ATOM 969 CB PRO A 63 9.859 -0.556 6.086 1.00 0.00 C ATOM 970 CG PRO A 63 11.184 -0.268 5.475 1.00 0.00 C ATOM 971 CD PRO A 63 10.998 1.014 4.730 1.00 0.00 C ATOM 0 HA PRO A 63 8.195 0.878 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.964 -1.153 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.224 -1.121 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.957 -0.173 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.493 -1.071 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.939 1.548 4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.583 0.850 3.736 1.00 0.00 H new ATOM 979 N LYS A 64 10.620 1.414 8.250 1.00 0.00 N ATOM 980 CA LYS A 64 10.983 1.843 9.582 1.00 0.00 C ATOM 981 C LYS A 64 10.081 2.959 10.080 1.00 0.00 C ATOM 982 O LYS A 64 9.710 2.998 11.253 1.00 0.00 O ATOM 983 CB LYS A 64 12.412 2.332 9.522 1.00 0.00 C ATOM 984 CG LYS A 64 13.380 1.230 9.158 1.00 0.00 C ATOM 985 CD LYS A 64 14.658 1.793 8.580 1.00 0.00 C ATOM 986 CE LYS A 64 15.297 2.850 9.462 1.00 0.00 C ATOM 987 NZ LYS A 64 15.699 2.313 10.788 1.00 0.00 N ATOM 0 H LYS A 64 11.417 1.351 7.617 1.00 0.00 H new ATOM 0 HA LYS A 64 10.873 1.009 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.488 3.136 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.691 2.753 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.609 0.636 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.916 0.559 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.368 0.981 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.448 2.224 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.173 3.259 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.597 3.673 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.145 3.068 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.858 1.961 11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.375 1.534 10.656 1.00 0.00 H new ATOM 1001 N TYR A 65 9.783 3.902 9.199 1.00 0.00 N ATOM 1002 CA TYR A 65 8.988 5.047 9.577 1.00 0.00 C ATOM 1003 C TYR A 65 7.534 4.631 9.789 1.00 0.00 C ATOM 1004 O TYR A 65 6.871 5.154 10.688 1.00 0.00 O ATOM 1005 CB TYR A 65 9.154 6.199 8.550 1.00 0.00 C ATOM 1006 CG TYR A 65 8.029 6.437 7.543 1.00 0.00 C ATOM 1007 CD1 TYR A 65 6.762 6.831 7.961 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.261 6.349 6.169 1.00 0.00 C ATOM 1009 CE1 TYR A 65 5.761 7.104 7.053 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.263 6.639 5.255 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.016 7.012 5.705 1.00 0.00 C ATOM 1012 OH TYR A 65 5.029 7.323 4.803 1.00 0.00 O ATOM 0 H TYR A 65 10.081 3.892 8.223 1.00 0.00 H new ATOM 0 HA TYR A 65 9.346 5.439 10.529 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.302 7.124 9.108 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.070 6.015 7.989 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.558 6.925 9.017 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.236 6.050 5.813 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.779 7.389 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.461 6.573 4.195 1.00 0.00 H new ATOM 0 HH TYR A 65 4.270 6.715 4.926 1.00 0.00 H new ATOM 1022 N ALA A 66 7.000 3.770 8.912 1.00 0.00 N ATOM 1023 CA ALA A 66 5.587 3.436 9.000 1.00 0.00 C ATOM 1024 C ALA A 66 5.268 2.536 10.195 1.00 0.00 C ATOM 1025 O ALA A 66 4.596 2.972 11.130 1.00 0.00 O ATOM 1026 CB ALA A 66 5.180 2.730 7.725 1.00 0.00 C ATOM 0 H ALA A 66 7.512 3.309 8.159 1.00 0.00 H new ATOM 0 HA ALA A 66 5.032 4.364 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.122 2.472 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.354 3.388 6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.770 1.821 7.608 1.00 0.00 H new ATOM 1032 N ASN A 67 5.917 1.371 10.260 1.00 0.00 N ATOM 1033 CA ASN A 67 5.881 0.518 11.455 1.00 0.00 C ATOM 1034 C ASN A 67 6.783 -0.698 11.252 1.00 0.00 C ATOM 1035 O ASN A 67 7.612 -1.048 12.091 1.00 0.00 O ATOM 1036 CB ASN A 67 4.451 0.069 11.782 1.00 0.00 C ATOM 1037 CG ASN A 67 4.375 -0.769 13.046 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.766 -0.324 14.125 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.857 -1.982 12.924 1.00 0.00 N ATOM 0 H ASN A 67 6.477 0.993 9.496 1.00 0.00 H new ATOM 0 HA ASN A 67 6.246 1.103 12.299 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.815 0.947 11.894 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.055 -0.506 10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.771 -2.584 13.743 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.544 -2.314 12.011 1.00 0.00 H new ATOM 1046 N TRP A 68 6.521 -1.363 10.123 1.00 0.00 N ATOM 1047 CA TRP A 68 7.187 -2.599 9.713 1.00 0.00 C ATOM 1048 C TRP A 68 8.688 -2.427 9.535 1.00 0.00 C ATOM 1049 O TRP A 68 9.136 -1.416 9.022 1.00 0.00 O ATOM 1050 CB TRP A 68 6.618 -3.086 8.375 1.00 0.00 C ATOM 1051 CG TRP A 68 5.301 -3.808 8.428 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.076 -5.057 7.934 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.037 -3.349 8.937 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.765 -5.413 8.117 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.108 -4.388 8.732 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.597 -2.178 9.554 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.775 -4.286 9.117 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.271 -2.078 9.936 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.376 -3.127 9.717 1.00 0.00 C ATOM 0 H TRP A 68 5.821 -1.047 9.452 1.00 0.00 H new ATOM 0 HA TRP A 68 7.007 -3.319 10.511 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.508 -2.224 7.717 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.351 -3.747 7.913 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.824 -5.679 7.465 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.348 -6.301 7.838 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.281 -1.361 9.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.080 -5.095 8.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.922 -1.173 10.412 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.348 -3.019 10.029 1.00 0.00 H new ATOM 1070 N PRO A 69 9.473 -3.480 9.808 1.00 0.00 N ATOM 1071 CA PRO A 69 10.904 -3.485 9.504 1.00 0.00 C ATOM 1072 C PRO A 69 11.123 -3.342 7.996 1.00 0.00 C ATOM 1073 O PRO A 69 12.057 -2.679 7.544 1.00 0.00 O ATOM 1074 CB PRO A 69 11.390 -4.860 9.996 1.00 0.00 C ATOM 1075 CG PRO A 69 10.270 -5.411 10.814 1.00 0.00 C ATOM 1076 CD PRO A 69 9.013 -4.794 10.272 1.00 0.00 C ATOM 0 HA PRO A 69 11.440 -2.662 9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.623 -5.516 9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.299 -4.765 10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.233 -6.498 10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.401 -5.166 11.868 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.589 -5.385 9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.242 -4.706 11.038 1.00 0.00 H new ATOM 1084 N THR A 70 10.193 -3.924 7.242 1.00 0.00 N ATOM 1085 CA THR A 70 10.163 -3.846 5.787 1.00 0.00 C ATOM 1086 C THR A 70 8.713 -3.749 5.299 1.00 0.00 C ATOM 1087 O THR A 70 7.974 -2.865 5.729 1.00 0.00 O ATOM 1088 CB THR A 70 10.885 -5.049 5.139 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.409 -6.279 5.702 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.393 -4.940 5.323 1.00 0.00 C ATOM 0 H THR A 70 9.427 -4.472 7.634 1.00 0.00 H new ATOM 0 HA THR A 70 10.699 -2.947 5.482 1.00 0.00 H new ATOM 0 HB THR A 70 10.666 -5.040 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.873 -7.033 5.281 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.879 -5.798 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.751 -4.023 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.629 -4.921 6.387 1.00 0.00 H new ATOM 1098 N PHE A 71 8.302 -4.623 4.390 1.00 0.00 N ATOM 1099 CA PHE A 71 6.945 -4.573 3.849 1.00 0.00 C ATOM 1100 C PHE A 71 6.452 -6.016 3.655 1.00 0.00 C ATOM 1101 O PHE A 71 7.093 -6.936 4.168 1.00 0.00 O ATOM 1102 CB PHE A 71 6.945 -3.807 2.511 1.00 0.00 C ATOM 1103 CG PHE A 71 7.656 -2.482 2.528 1.00 0.00 C ATOM 1104 CD1 PHE A 71 9.039 -2.437 2.499 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.949 -1.286 2.527 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.702 -1.238 2.483 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.618 -0.077 2.507 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.991 -0.062 2.485 1.00 0.00 C ATOM 0 H PHE A 71 8.882 -5.372 4.012 1.00 0.00 H new ATOM 0 HA PHE A 71 6.278 -4.050 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.405 -4.438 1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.912 -3.642 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.603 -3.358 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.869 -1.301 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.782 -1.217 2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.064 0.850 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.516 0.882 2.469 1.00 0.00 H new ATOM 1118 N PRO A 72 5.363 -6.299 2.887 1.00 0.00 N ATOM 1119 CA PRO A 72 4.499 -5.323 2.206 1.00 0.00 C ATOM 1120 C PRO A 72 3.564 -4.571 3.161 1.00 0.00 C ATOM 1121 O PRO A 72 3.258 -5.051 4.254 1.00 0.00 O ATOM 1122 CB PRO A 72 3.713 -6.161 1.181 1.00 0.00 C ATOM 1123 CG PRO A 72 4.155 -7.575 1.361 1.00 0.00 C ATOM 1124 CD PRO A 72 4.865 -7.658 2.681 1.00 0.00 C ATOM 0 HA PRO A 72 5.087 -4.531 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.639 -6.066 1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.912 -5.819 0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.299 -8.250 1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.817 -7.877 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.191 -7.964 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.678 -8.384 2.655 1.00 0.00 H new ATOM 1132 N GLN A 73 3.151 -3.370 2.754 1.00 0.00 N ATOM 1133 CA GLN A 73 2.292 -2.511 3.572 1.00 0.00 C ATOM 1134 C GLN A 73 1.314 -1.754 2.673 1.00 0.00 C ATOM 1135 O GLN A 73 1.714 -1.161 1.673 1.00 0.00 O ATOM 1136 CB GLN A 73 3.107 -1.448 4.314 1.00 0.00 C ATOM 1137 CG GLN A 73 4.305 -1.942 5.100 1.00 0.00 C ATOM 1138 CD GLN A 73 5.071 -0.781 5.706 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.192 -0.768 7.018 1.00 0.00 O flip ATOM 1140 NE2 GLN A 73 5.539 0.107 4.998 1.00 0.00 N flip ATOM 0 H GLN A 73 3.401 -2.966 1.851 1.00 0.00 H new ATOM 0 HA GLN A 73 1.778 -3.158 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.455 -0.715 3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.441 -0.925 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.974 -2.616 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.963 -2.515 4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.426 0.064 3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.040 0.887 5.423 1.00 0.00 H new ATOM 1149 N LEU A 74 0.058 -1.705 3.076 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.955 -0.936 2.359 1.00 0.00 C ATOM 1151 C LEU A 74 -1.078 0.463 2.964 1.00 0.00 C ATOM 1152 O LEU A 74 -1.116 0.614 4.186 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.285 -1.703 2.394 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.481 -1.115 1.615 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -4.061 0.117 2.293 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.066 -0.781 0.193 1.00 0.00 C ATOM 0 H LEU A 74 -0.292 -2.191 3.902 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.665 -0.808 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.101 -2.708 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.584 -1.806 3.437 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.262 -1.875 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.899 0.494 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.406 -0.146 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.294 0.888 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.918 -0.367 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.258 -0.050 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.724 -1.686 -0.308 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.175 1.468 2.102 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.344 2.850 2.525 1.00 0.00 C ATOM 1170 C TRP A 75 -2.626 3.447 1.951 1.00 0.00 C ATOM 1171 O TRP A 75 -2.878 3.381 0.748 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.155 3.703 2.091 1.00 0.00 C ATOM 1173 CG TRP A 75 1.135 3.311 2.730 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.915 2.220 2.467 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.766 4.007 3.795 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.017 2.230 3.289 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.940 3.317 4.116 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.444 5.163 4.497 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.799 3.749 5.114 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.294 5.594 5.491 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.460 4.888 5.791 1.00 0.00 C ATOM 0 H TRP A 75 -1.139 1.346 1.090 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.407 2.850 3.613 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.048 3.636 1.008 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.364 4.747 2.327 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.699 1.465 1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.768 1.540 3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.543 5.713 4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.703 3.206 5.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.055 6.490 6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.109 5.249 6.575 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.389 4.098 2.808 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.601 4.789 2.393 1.00 0.00 C ATOM 1194 C VAL A 76 -4.455 6.285 2.659 1.00 0.00 C ATOM 1195 O VAL A 76 -4.270 6.678 3.808 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.827 4.252 3.172 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.092 5.000 2.802 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -6.009 2.769 2.930 1.00 0.00 C ATOM 0 H VAL A 76 -3.190 4.164 3.806 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.752 4.614 1.328 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.636 4.415 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.932 4.597 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.971 6.058 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.284 4.885 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.876 2.413 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.163 2.590 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.119 2.234 3.263 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.564 7.114 1.609 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.474 8.582 1.754 1.00 0.00 C ATOM 1210 C ASP A 77 -3.150 8.974 2.424 1.00 0.00 C ATOM 1211 O ASP A 77 -3.021 9.996 3.100 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.672 9.044 2.575 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.721 10.532 2.884 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -5.780 11.343 1.940 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.747 10.897 4.080 1.00 0.00 O ATOM 0 H ASP A 77 -4.714 6.797 0.651 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.491 9.066 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.583 8.772 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.678 8.495 3.517 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.172 8.128 2.207 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.844 8.328 2.761 1.00 0.00 C ATOM 1222 C GLY A 78 -0.751 7.941 4.226 1.00 0.00 C ATOM 1223 O GLY A 78 0.111 8.438 4.957 1.00 0.00 O ATOM 0 H GLY A 78 -2.268 7.283 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.125 7.741 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.563 9.375 2.648 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.589 6.998 4.633 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.563 6.472 5.990 1.00 0.00 C ATOM 1229 C GLU A 79 -1.480 4.954 5.982 1.00 0.00 C ATOM 1230 O GLU A 79 -2.151 4.287 5.197 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.787 6.927 6.782 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.807 8.418 7.064 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.988 8.838 7.913 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -5.140 8.733 7.439 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -3.773 9.270 9.068 1.00 0.00 O ATOM 0 H GLU A 79 -2.302 6.578 4.036 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.672 6.867 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.687 6.658 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.819 6.386 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.883 8.700 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.833 8.962 6.120 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.588 4.428 6.810 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.331 3.001 6.861 1.00 0.00 C ATOM 1244 C LEU A 80 -1.508 2.236 7.450 1.00 0.00 C ATOM 1245 O LEU A 80 -1.950 2.510 8.568 1.00 0.00 O ATOM 1246 CB LEU A 80 0.929 2.727 7.685 1.00 0.00 C ATOM 1247 CG LEU A 80 1.232 1.252 7.920 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.596 0.564 6.617 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.336 1.100 8.946 1.00 0.00 C ATOM 0 H LEU A 80 -0.027 4.977 7.461 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.185 2.654 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.782 3.183 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.828 3.221 8.651 1.00 0.00 H new ATOM 0 HG LEU A 80 0.336 0.770 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.808 -0.488 6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.764 0.645 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.478 1.040 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.542 0.041 9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.238 1.596 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.023 1.553 9.887 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.919 1.193 6.746 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.929 0.286 7.253 1.00 0.00 C ATOM 1263 C VAL A 81 -2.284 -1.044 7.647 1.00 0.00 C ATOM 1264 O VAL A 81 -2.440 -1.515 8.770 1.00 0.00 O ATOM 1265 CB VAL A 81 -4.046 0.050 6.201 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -5.101 -0.918 6.712 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.694 1.365 5.806 1.00 0.00 C ATOM 0 H VAL A 81 -1.566 0.956 5.819 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.385 0.738 8.133 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.578 -0.395 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.866 -1.058 5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.635 -1.877 6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.559 -0.514 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.474 1.179 5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.132 1.834 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.941 2.028 5.379 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.564 -1.644 6.703 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.910 -2.928 6.934 1.00 0.00 C ATOM 1279 C GLY A 82 -0.934 -3.760 5.673 1.00 0.00 C ATOM 1280 O GLY A 82 -1.834 -3.579 4.865 1.00 0.00 O ATOM 0 H GLY A 82 -1.419 -1.260 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.120 -2.768 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.414 -3.461 7.740 1.00 0.00 H new ATOM 1284 N GLY A 83 0.142 -4.479 5.375 1.00 0.00 N ATOM 1285 CA GLY A 83 0.239 -5.069 4.047 1.00 0.00 C ATOM 1286 C GLY A 83 -0.442 -6.415 3.862 1.00 0.00 C ATOM 1287 O GLY A 83 -1.397 -6.510 3.114 1.00 0.00 O ATOM 0 H GLY A 83 0.925 -4.662 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.186 -4.368 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.294 -5.181 3.798 1.00 0.00 H new ATOM 1291 N CYS A 84 0.049 -7.469 4.493 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.567 -8.786 4.290 1.00 0.00 C ATOM 1293 C CYS A 84 -1.805 -8.992 5.148 1.00 0.00 C ATOM 1294 O CYS A 84 -2.900 -9.239 4.640 1.00 0.00 O ATOM 1295 CB CYS A 84 0.425 -9.924 4.536 1.00 0.00 C ATOM 1296 SG CYS A 84 -0.309 -11.575 4.415 1.00 0.00 S ATOM 0 H CYS A 84 0.845 -7.452 5.131 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.874 -8.807 3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.239 -9.845 3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.863 -9.803 5.527 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.363 -11.936 3.167 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.565 -9.077 6.450 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.585 -9.484 7.405 1.00 0.00 C ATOM 1304 C ASP A 85 -3.693 -8.467 7.462 1.00 0.00 C ATOM 1305 O ASP A 85 -4.876 -8.810 7.480 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.979 -9.619 8.805 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.741 -10.492 8.838 1.00 0.00 C ATOM 1308 OD1 ASP A 85 0.269 -10.122 8.193 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -0.766 -11.546 9.504 1.00 0.00 O ATOM 0 H ASP A 85 -0.661 -8.866 6.872 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.984 -10.444 7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.727 -8.628 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.727 -10.035 9.479 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.286 -7.224 7.612 1.00 0.00 N ATOM 1315 CA ILE A 86 -4.216 -6.141 7.816 1.00 0.00 C ATOM 1316 C ILE A 86 -5.123 -5.964 6.603 1.00 0.00 C ATOM 1317 O ILE A 86 -6.330 -5.821 6.756 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.508 -4.804 8.148 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.662 -4.901 9.430 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.546 -3.710 8.316 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -1.417 -5.756 9.314 1.00 0.00 C ATOM 0 H ILE A 86 -2.306 -6.940 7.596 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.822 -6.414 8.680 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.837 -4.571 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.367 -3.895 9.729 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.286 -5.301 10.229 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.048 -2.769 8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.113 -3.601 7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.224 -3.973 9.128 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.889 -5.762 10.268 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.699 -6.775 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.766 -5.347 8.541 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.558 -6.031 5.397 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.367 -5.928 4.185 1.00 0.00 C ATOM 1335 C VAL A 87 -6.409 -7.030 4.118 1.00 0.00 C ATOM 1336 O VAL A 87 -7.585 -6.747 3.938 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.518 -5.954 2.896 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.398 -6.081 1.662 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.691 -4.692 2.793 1.00 0.00 C ATOM 0 H VAL A 87 -3.558 -6.154 5.235 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.864 -4.960 4.244 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.860 -6.822 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.773 -6.097 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.973 -7.005 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.080 -5.232 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.096 -4.720 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.351 -3.825 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.029 -4.619 3.656 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.990 -8.276 4.288 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.931 -9.383 4.258 1.00 0.00 C ATOM 1351 C ILE A 88 -7.999 -9.219 5.333 1.00 0.00 C ATOM 1352 O ILE A 88 -9.191 -9.352 5.055 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.228 -10.748 4.428 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.309 -11.031 3.234 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.262 -11.861 4.588 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.044 -11.157 1.919 1.00 0.00 C ATOM 0 H ILE A 88 -5.018 -8.542 4.446 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.403 -9.366 3.276 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.616 -10.714 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.574 -10.230 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.757 -11.952 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.752 -12.817 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.875 -11.665 5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.898 -11.897 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.329 -11.357 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.760 -11.977 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.574 -10.228 1.708 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.576 -8.935 6.559 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.519 -8.776 7.656 1.00 0.00 C ATOM 1370 C GLU A 89 -9.467 -7.605 7.401 1.00 0.00 C ATOM 1371 O GLU A 89 -10.677 -7.777 7.434 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.780 -8.585 8.982 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.703 -8.522 10.189 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.944 -8.402 11.494 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.211 -7.408 11.680 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.066 -9.316 12.338 1.00 0.00 O ATOM 0 H GLU A 89 -6.597 -8.811 6.816 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.114 -9.687 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.075 -9.405 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.195 -7.666 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.376 -7.671 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.324 -9.417 10.215 1.00 0.00 H new ATOM 1383 N MET A 90 -8.913 -6.434 7.095 1.00 0.00 N ATOM 1384 CA MET A 90 -9.717 -5.247 6.791 1.00 0.00 C ATOM 1385 C MET A 90 -10.617 -5.470 5.579 1.00 0.00 C ATOM 1386 O MET A 90 -11.774 -5.054 5.577 1.00 0.00 O ATOM 1387 CB MET A 90 -8.829 -4.018 6.597 1.00 0.00 C ATOM 1388 CG MET A 90 -8.154 -3.559 7.878 1.00 0.00 C ATOM 1389 SD MET A 90 -9.345 -3.113 9.157 1.00 0.00 S ATOM 1390 CE MET A 90 -8.243 -2.658 10.494 1.00 0.00 C ATOM 0 H MET A 90 -7.906 -6.279 7.050 1.00 0.00 H new ATOM 0 HA MET A 90 -10.365 -5.064 7.648 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.066 -4.243 5.852 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.432 -3.202 6.199 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.506 -4.353 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.517 -2.701 7.663 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.829 -2.356 11.362 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.618 -3.512 10.757 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.610 -1.829 10.178 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.124 -6.234 4.617 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.923 -6.663 3.472 1.00 0.00 C ATOM 1402 C TYR A 91 -12.148 -7.434 3.929 1.00 0.00 C ATOM 1403 O TYR A 91 -13.275 -7.119 3.536 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.040 -7.536 2.581 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.759 -8.534 1.701 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.539 -8.147 0.622 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.600 -9.891 1.943 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.154 -9.089 -0.183 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.202 -10.834 1.147 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.981 -10.433 0.084 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.586 -11.375 -0.719 1.00 0.00 O ATOM 0 H TYR A 91 -9.163 -6.575 4.604 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.275 -5.794 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.445 -6.883 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.343 -8.081 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.668 -7.096 0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.990 -10.212 2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.766 -8.775 -1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.065 -11.885 1.353 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.363 -12.273 -0.396 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.921 -8.409 4.789 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.998 -9.204 5.351 1.00 0.00 C ATOM 1423 C GLN A 92 -13.911 -8.323 6.207 1.00 0.00 C ATOM 1424 O GLN A 92 -15.135 -8.439 6.157 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.423 -10.359 6.175 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.507 -11.269 5.371 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.938 -12.403 6.194 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.268 -12.180 7.203 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.186 -13.628 5.763 1.00 0.00 N ATOM 0 H GLN A 92 -10.991 -8.672 5.116 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.593 -9.625 4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.869 -9.953 7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.243 -10.949 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.061 -11.681 4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.688 -10.680 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.746 -13.769 4.922 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.818 -14.432 6.271 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.292 -7.424 6.970 1.00 0.00 N ATOM 1439 CA ARG A 93 -14.012 -6.483 7.826 1.00 0.00 C ATOM 1440 C ARG A 93 -14.910 -5.553 7.009 1.00 0.00 C ATOM 1441 O ARG A 93 -15.906 -5.041 7.518 1.00 0.00 O ATOM 1442 CB ARG A 93 -13.025 -5.618 8.617 1.00 0.00 C ATOM 1443 CG ARG A 93 -12.078 -6.388 9.521 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.821 -7.165 10.596 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.637 -6.286 11.433 1.00 0.00 N ATOM 1446 CZ ARG A 93 -14.413 -6.702 12.434 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -14.407 -7.978 12.801 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -15.166 -5.827 13.091 1.00 0.00 N ATOM 0 H ARG A 93 -12.277 -7.327 7.012 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.628 -7.076 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.435 -5.031 7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.590 -4.912 9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.484 -7.077 8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.382 -5.694 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.458 -7.916 10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.104 -7.699 11.220 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.611 -5.285 11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.807 -8.645 12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.003 -8.291 13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.149 -4.841 12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.761 -6.141 13.858 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.453 -5.200 5.814 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.127 -4.177 5.038 1.00 0.00 C ATOM 1464 C GLY A 94 -14.505 -2.806 5.249 1.00 0.00 C ATOM 1465 O GLY A 94 -14.640 -1.917 4.417 1.00 0.00 O ATOM 0 H GLY A 94 -13.629 -5.603 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.085 -4.436 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.180 -4.145 5.316 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.840 -2.638 6.380 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.201 -1.373 6.744 1.00 0.00 C ATOM 1471 C GLU A 95 -12.204 -0.904 5.684 1.00 0.00 C ATOM 1472 O GLU A 95 -12.088 0.288 5.438 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.495 -1.528 8.084 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.424 -1.939 9.211 1.00 0.00 C ATOM 1475 CD GLU A 95 -14.504 -0.917 9.509 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -15.324 -0.625 8.616 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -14.541 -0.402 10.648 1.00 0.00 O ATOM 0 H GLU A 95 -13.725 -3.374 7.077 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.981 -0.615 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.704 -2.272 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.015 -0.585 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.894 -2.889 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.836 -2.107 10.113 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.441 -1.829 5.108 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.403 -1.466 4.136 1.00 0.00 C ATOM 1486 C LEU A 96 -11.027 -0.760 2.940 1.00 0.00 C ATOM 1487 O LEU A 96 -10.646 0.355 2.595 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.648 -2.728 3.684 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.367 -2.515 2.858 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.635 -3.828 2.718 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.660 -1.969 1.472 1.00 0.00 C ATOM 0 H LEU A 96 -11.517 -2.829 5.293 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.695 -0.784 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.387 -3.303 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.332 -3.341 3.097 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.757 -1.783 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.728 -3.678 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.372 -4.205 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.277 -4.550 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.725 -1.836 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.297 -2.670 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.169 -1.009 1.559 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.028 -1.394 2.356 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.759 -0.819 1.230 1.00 0.00 C ATOM 1505 C GLN A 97 -13.502 0.434 1.642 1.00 0.00 C ATOM 1506 O GLN A 97 -13.704 1.332 0.843 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.721 -1.831 0.611 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.642 -2.501 1.611 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.556 -3.525 0.979 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.383 -3.199 0.126 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.409 -4.775 1.389 1.00 0.00 N ATOM 0 H GLN A 97 -12.359 -2.315 2.643 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.023 -0.548 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.326 -1.327 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.143 -2.598 0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.042 -2.985 2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.245 -1.741 2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.711 -5.000 2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.994 -5.513 0.996 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.845 0.511 2.911 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.483 1.660 3.478 1.00 0.00 C ATOM 1522 C GLN A 98 -13.513 2.835 3.511 1.00 0.00 C ATOM 1523 O GLN A 98 -13.828 3.933 3.046 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.974 1.248 4.859 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.234 2.382 5.799 1.00 0.00 C ATOM 1526 CD GLN A 98 -16.214 3.410 5.263 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.332 3.079 4.870 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -15.806 4.669 5.263 1.00 0.00 N ATOM 0 H GLN A 98 -13.682 -0.241 3.581 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.332 1.998 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.892 0.672 4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.235 0.585 5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.618 1.983 6.738 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.290 2.877 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.871 4.902 5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.427 5.406 4.929 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.308 2.563 3.977 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.240 3.558 3.988 1.00 0.00 C ATOM 1539 C LEU A 99 -10.889 3.962 2.565 1.00 0.00 C ATOM 1540 O LEU A 99 -10.771 5.151 2.254 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.991 2.993 4.667 1.00 0.00 C ATOM 1542 CG LEU A 99 -10.214 2.388 6.052 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.905 1.857 6.614 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.828 3.411 6.996 1.00 0.00 C ATOM 0 H LEU A 99 -12.039 1.655 4.357 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.590 4.429 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.561 2.228 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.253 3.790 4.752 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.912 1.556 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.080 1.429 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.509 1.088 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.186 2.672 6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.978 2.958 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.159 4.267 7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.788 3.742 6.599 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.743 2.960 1.701 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.428 3.199 0.302 1.00 0.00 C ATOM 1558 C ILE A 100 -11.541 3.994 -0.356 1.00 0.00 C ATOM 1559 O ILE A 100 -11.274 4.928 -1.082 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.207 1.886 -0.486 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.053 1.078 0.114 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.936 2.181 -1.959 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.720 1.794 0.104 1.00 0.00 C ATOM 0 H ILE A 100 -10.839 1.975 1.949 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.496 3.764 0.280 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.118 1.292 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.304 0.817 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.954 0.143 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.783 1.245 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.788 2.710 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.043 2.800 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.959 1.152 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.442 2.032 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.798 2.715 0.681 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.785 3.604 -0.100 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.941 4.267 -0.687 1.00 0.00 C ATOM 1577 C LYS A 101 -13.905 5.761 -0.440 1.00 0.00 C ATOM 1578 O LYS A 101 -14.058 6.562 -1.358 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.225 3.709 -0.083 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.466 4.363 -0.642 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.735 3.883 0.049 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.804 4.334 1.500 1.00 0.00 C ATOM 1583 NZ LYS A 101 -17.895 5.814 1.618 1.00 0.00 N ATOM 0 H LYS A 101 -13.018 2.825 0.516 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.914 4.083 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.271 2.636 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.203 3.847 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.384 5.445 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.535 4.153 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.605 4.260 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.781 2.795 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.669 3.878 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.921 3.981 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.176 6.068 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -16.969 6.237 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.603 6.173 0.946 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.750 6.129 0.815 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.745 7.530 1.186 1.00 0.00 C ATOM 1599 C GLU A 102 -12.540 8.240 0.579 1.00 0.00 C ATOM 1600 O GLU A 102 -12.668 9.325 0.014 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.755 7.675 2.705 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.730 9.118 3.170 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.869 9.253 4.671 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -14.057 8.229 5.353 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -13.820 10.396 5.168 1.00 0.00 O ATOM 0 H GLU A 102 -13.626 5.481 1.593 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.646 7.999 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.645 7.187 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.893 7.152 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.795 9.581 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.538 9.666 2.684 1.00 0.00 H new ATOM 1612 N THR A 103 -11.377 7.620 0.707 1.00 0.00 N ATOM 1613 CA THR A 103 -10.140 8.186 0.193 1.00 0.00 C ATOM 1614 C THR A 103 -10.121 8.252 -1.330 1.00 0.00 C ATOM 1615 O THR A 103 -9.774 9.277 -1.914 1.00 0.00 O ATOM 1616 CB THR A 103 -8.931 7.380 0.689 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.929 7.361 2.120 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.633 7.976 0.183 1.00 0.00 C ATOM 0 H THR A 103 -11.264 6.717 1.167 1.00 0.00 H new ATOM 0 HA THR A 103 -10.081 9.207 0.571 1.00 0.00 H new ATOM 0 HB THR A 103 -9.010 6.363 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.509 6.638 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.794 7.385 0.550 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.631 7.971 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.539 9.001 0.542 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.499 7.171 -1.969 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.523 7.118 -3.415 1.00 0.00 C ATOM 1628 C ALA A 104 -11.515 8.125 -3.952 1.00 0.00 C ATOM 1629 O ALA A 104 -11.218 8.816 -4.904 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.853 5.725 -3.916 1.00 0.00 C ATOM 0 H ALA A 104 -10.796 6.310 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.527 7.369 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.862 5.723 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.101 5.022 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.834 5.427 -3.544 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.677 8.224 -3.322 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.692 9.182 -3.746 1.00 0.00 C ATOM 1638 C ALA A 105 -13.222 10.626 -3.577 1.00 0.00 C ATOM 1639 O ALA A 105 -13.565 11.489 -4.382 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.004 8.962 -3.025 1.00 0.00 C ATOM 0 H ALA A 105 -12.941 7.655 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.857 9.009 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.735 9.695 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.371 7.958 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.853 9.075 -1.952 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.436 10.913 -2.548 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.950 12.274 -2.381 1.00 0.00 C ATOM 1648 C LYS A 106 -10.791 12.598 -3.326 1.00 0.00 C ATOM 1649 O LYS A 106 -10.687 13.733 -3.793 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.703 12.680 -0.910 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.915 11.724 -0.021 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.417 11.723 -0.263 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.696 11.044 0.889 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.849 11.783 2.172 1.00 0.00 N ATOM 0 H LYS A 106 -12.130 10.247 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.770 12.922 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.183 13.638 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.674 12.845 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.101 11.982 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.294 10.713 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.193 11.206 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.059 12.747 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.082 10.031 1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.637 10.955 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.910 11.991 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.358 12.674 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.387 11.201 2.846 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.016 11.595 -3.746 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.015 11.841 -4.788 1.00 0.00 C ATOM 1670 C TYR A 107 -9.584 11.666 -6.203 1.00 0.00 C ATOM 1671 O TYR A 107 -9.490 12.574 -7.025 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.789 10.938 -4.639 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.935 11.218 -3.429 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.890 12.129 -3.502 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.138 10.547 -2.230 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.085 12.374 -2.414 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.345 10.789 -1.144 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.316 11.709 -1.234 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.510 11.961 -0.151 1.00 0.00 O ATOM 0 H TYR A 107 -10.057 10.638 -3.396 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.714 12.880 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.123 9.901 -4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.172 11.038 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.706 12.654 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.935 9.822 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.276 13.085 -2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.521 10.263 -0.217 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.801 11.414 0.608 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.264 10.550 -6.447 1.00 0.00 N ATOM 1690 CA LYS A 108 -10.948 10.319 -7.715 1.00 0.00 C ATOM 1691 C LYS A 108 -12.434 10.571 -7.539 1.00 0.00 C ATOM 1692 O LYS A 108 -12.990 10.226 -6.512 1.00 0.00 O ATOM 1693 CB LYS A 108 -10.734 8.907 -8.270 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.308 8.575 -8.709 1.00 0.00 C ATOM 1695 CD LYS A 108 -8.349 8.493 -7.540 1.00 0.00 C ATOM 1696 CE LYS A 108 -8.866 7.531 -6.491 1.00 0.00 C ATOM 1697 NZ LYS A 108 -9.011 6.138 -7.008 1.00 0.00 N ATOM 0 H LYS A 108 -10.356 9.786 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.518 11.012 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.037 8.188 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.399 8.767 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.307 7.625 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.960 9.335 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.369 8.166 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.218 9.482 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.186 7.529 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.832 7.881 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.014 5.863 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.658 6.092 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.462 5.487 -6.411 1.00 0.00 H new ATOM 1711 N SER A 109 -13.041 11.261 -8.477 1.00 0.00 N ATOM 1712 CA SER A 109 -14.425 11.675 -8.331 1.00 0.00 C ATOM 1713 C SER A 109 -15.380 10.504 -8.122 1.00 0.00 C ATOM 1714 O SER A 109 -15.704 9.765 -9.055 1.00 0.00 O ATOM 1715 CB SER A 109 -14.849 12.506 -9.541 1.00 0.00 C ATOM 1716 OG SER A 109 -14.573 11.828 -10.755 1.00 0.00 O ATOM 0 H SER A 109 -12.601 11.549 -9.351 1.00 0.00 H new ATOM 0 HA SER A 109 -14.484 12.283 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.915 12.725 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.326 13.462 -9.529 1.00 0.00 H new ATOM 0 HG SER A 109 -14.834 10.887 -10.671 1.00 0.00 H new ATOM 1722 N GLU A 110 -15.980 10.518 -6.938 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.106 9.659 -6.579 1.00 0.00 C ATOM 1724 C GLU A 110 -16.891 8.177 -6.901 1.00 0.00 C ATOM 1725 O GLU A 110 -17.842 7.491 -7.273 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.367 10.168 -7.272 1.00 0.00 C ATOM 1727 CG GLU A 110 -18.682 11.611 -6.932 1.00 0.00 C ATOM 1728 CD GLU A 110 -19.907 12.137 -7.643 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -20.560 11.367 -8.373 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -20.218 13.334 -7.474 1.00 0.00 O ATOM 0 H GLU A 110 -15.692 11.140 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.207 9.714 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.247 10.072 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.211 9.540 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.829 11.700 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.825 12.233 -7.190 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.710 7.648 -6.612 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.506 6.209 -6.725 1.00 0.00 C ATOM 1739 C GLU A 111 -16.108 5.487 -5.512 1.00 0.00 C ATOM 1740 O GLU A 111 -15.776 5.783 -4.364 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.020 5.884 -6.917 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.494 6.318 -8.278 1.00 0.00 C ATOM 1743 CD GLU A 111 -12.049 5.922 -8.526 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -11.420 5.325 -7.635 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -11.532 6.211 -9.626 1.00 0.00 O ATOM 0 H GLU A 111 -14.895 8.178 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.027 5.846 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.441 6.375 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.869 4.811 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.120 5.882 -9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.585 7.401 -8.365 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.107 4.622 -5.761 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.879 3.952 -4.716 1.00 0.00 C ATOM 1754 C PRO A 112 -17.343 2.571 -4.318 1.00 0.00 C ATOM 1755 O PRO A 112 -17.999 1.550 -4.549 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.241 3.808 -5.357 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.974 3.654 -6.817 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.656 4.333 -7.096 1.00 0.00 C ATOM 0 HA PRO A 112 -17.855 4.520 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.773 2.943 -4.961 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.863 4.682 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.931 2.600 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.773 4.105 -7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.990 3.688 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.793 5.246 -7.676 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.109 2.539 -3.867 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.402 1.280 -3.598 1.00 0.00 C ATOM 1768 C ASP A 113 -16.180 0.359 -2.664 1.00 0.00 C ATOM 1769 O ASP A 113 -16.564 -0.747 -3.048 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.044 1.570 -2.968 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.167 2.410 -3.859 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -12.856 1.966 -4.980 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.808 3.521 -3.444 1.00 0.00 O ATOM 0 H ASP A 113 -15.558 3.375 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.287 0.775 -4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.189 2.083 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.540 0.629 -2.749 1.00 0.00 H new