USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 594 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 150:sc= -1.89 (180deg=-2.83!) USER MOD Set 2.1: A 43 CYS SG : rot -169:sc= -0.1 USER MOD Set 2.2: A 48 ASN : amide:sc= 0.336 X(o=-0.32,f=-0.62) USER MOD Set 2.3: A 54 SER OG : rot -29:sc= -0.554 USER MOD Single : A 24 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.21) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.073 (180deg=-0.439) USER MOD Single : A 30 GLN : amide:sc= -3.56! C(o=-3.6!,f=-6.9!) USER MOD Single : A 32 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.9) USER MOD Single : A 33 GLN : amide:sc= -2.72! C(o=-2.7!,f=-5.9!) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 38 THR OG1 : rot -97:sc= 0.856 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0191 USER MOD Single : A 47 GLN : amide:sc= -0.0421 X(o=-0.042,f=-0.057) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -103:sc= 0.128 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 72:sc= 1.32 USER MOD Single : A 64 GLN : amide:sc= -0.303 K(o=-0.3,f=-0.83) USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= 2.18 (180deg=0.791) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 142:sc= -0.803 (180deg=-2.86) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.257 F(o=-1.4!,f=-0.26) USER MOD Single : A 74 LYS NZ :NH3+ -114:sc= 0.00894 (180deg=-0.636) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.14) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 146:sc= -2.16 (180deg=-4.29!) USER MOD Single : A 87 TYR OH : rot 130:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0255 K(o=-0.026,f=-1) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0729 USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00549 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 10.810 -3.872 -7.961 1.00 0.00 N ATOM 47 CA VAL A 22 11.938 -3.003 -7.625 1.00 0.00 C ATOM 48 C VAL A 22 11.952 -2.739 -6.116 1.00 0.00 C ATOM 49 O VAL A 22 12.931 -2.248 -5.549 1.00 0.00 O ATOM 50 CB VAL A 22 11.862 -1.659 -8.398 1.00 0.00 C ATOM 51 CG1 VAL A 22 10.687 -0.817 -7.920 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.164 -0.883 -8.268 1.00 0.00 C ATOM 0 HA VAL A 22 12.859 -3.507 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 22 11.706 -1.891 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.659 0.118 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.758 -1.364 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.802 -0.602 -6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.085 0.055 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.358 -0.671 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.983 -1.475 -8.676 1.00 0.00 H new ATOM 62 N LEU A 23 10.846 -3.097 -5.479 1.00 0.00 N ATOM 63 CA LEU A 23 10.664 -2.910 -4.053 1.00 0.00 C ATOM 64 C LEU A 23 11.532 -3.905 -3.287 1.00 0.00 C ATOM 65 O LEU A 23 11.143 -5.055 -3.090 1.00 0.00 O ATOM 66 CB LEU A 23 9.187 -3.114 -3.690 1.00 0.00 C ATOM 67 CG LEU A 23 8.173 -2.673 -4.758 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.751 -2.871 -4.258 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.399 -1.224 -5.171 1.00 0.00 C ATOM 0 H LEU A 23 10.047 -3.528 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 23 10.961 -1.897 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.027 -4.171 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.979 -2.568 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 23 8.322 -3.298 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.047 -2.553 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.589 -3.925 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.596 -2.277 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.666 -0.943 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.290 -0.576 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.403 -1.115 -5.581 1.00 0.00 H new ATOM 81 N GLN A 24 12.712 -3.468 -2.875 1.00 0.00 N ATOM 82 CA GLN A 24 13.657 -4.351 -2.209 1.00 0.00 C ATOM 83 C GLN A 24 13.611 -4.171 -0.700 1.00 0.00 C ATOM 84 O GLN A 24 14.189 -3.232 -0.155 1.00 0.00 O ATOM 85 CB GLN A 24 15.071 -4.106 -2.727 1.00 0.00 C ATOM 86 CG GLN A 24 15.256 -4.493 -4.184 1.00 0.00 C ATOM 87 CD GLN A 24 14.943 -5.952 -4.445 1.00 0.00 C ATOM 88 OE1 GLN A 24 15.817 -6.814 -4.340 1.00 0.00 O ATOM 89 NE2 GLN A 24 13.702 -6.240 -4.798 1.00 0.00 N ATOM 0 H GLN A 24 13.038 -2.508 -2.990 1.00 0.00 H new ATOM 0 HA GLN A 24 13.371 -5.378 -2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.317 -3.051 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.776 -4.670 -2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.612 -3.871 -4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.284 -4.287 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.008 -5.497 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.439 -7.206 -4.995 1.00 0.00 H new ATOM 98 N PHE A 25 12.915 -5.078 -0.032 1.00 0.00 N ATOM 99 CA PHE A 25 12.823 -5.054 1.419 1.00 0.00 C ATOM 100 C PHE A 25 14.118 -5.552 2.027 1.00 0.00 C ATOM 101 O PHE A 25 14.608 -6.634 1.695 1.00 0.00 O ATOM 102 CB PHE A 25 11.646 -5.914 1.899 1.00 0.00 C ATOM 103 CG PHE A 25 10.370 -5.623 1.161 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.690 -4.432 1.368 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.842 -6.546 0.273 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.508 -4.168 0.703 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.662 -6.286 -0.396 1.00 0.00 C ATOM 108 CZ PHE A 25 8.027 -5.076 -0.228 1.00 0.00 C ATOM 0 H PHE A 25 12.404 -5.842 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 25 12.651 -4.027 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.898 -6.967 1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.490 -5.745 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.089 -3.702 2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.359 -7.479 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.962 -3.259 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.237 -7.032 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.156 -4.835 -0.820 1.00 0.00 H new ATOM 118 N LYS A 26 14.672 -4.722 2.900 1.00 0.00 N ATOM 119 CA LYS A 26 15.901 -5.023 3.612 1.00 0.00 C ATOM 120 C LYS A 26 15.803 -6.367 4.330 1.00 0.00 C ATOM 121 O LYS A 26 16.750 -7.155 4.335 1.00 0.00 O ATOM 122 CB LYS A 26 16.182 -3.884 4.600 1.00 0.00 C ATOM 123 CG LYS A 26 16.682 -4.329 5.963 1.00 0.00 C ATOM 124 CD LYS A 26 15.744 -3.858 7.066 1.00 0.00 C ATOM 125 CE LYS A 26 15.854 -2.359 7.298 1.00 0.00 C ATOM 126 NZ LYS A 26 17.216 -1.954 7.730 1.00 0.00 N ATOM 0 H LYS A 26 14.275 -3.812 3.134 1.00 0.00 H new ATOM 0 HA LYS A 26 16.726 -5.102 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.920 -3.214 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.268 -3.306 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.763 -5.416 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.682 -3.931 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.717 -4.111 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.975 -4.387 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.595 -1.832 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.130 -2.057 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.174 -1.017 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.585 -2.648 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.845 -1.914 6.903 1.00 0.00 H new ATOM 140 N ASP A 27 14.645 -6.614 4.924 1.00 0.00 N ATOM 141 CA ASP A 27 14.363 -7.869 5.602 1.00 0.00 C ATOM 142 C ASP A 27 12.884 -7.890 5.944 1.00 0.00 C ATOM 143 O ASP A 27 12.128 -7.063 5.421 1.00 0.00 O ATOM 144 CB ASP A 27 15.215 -8.017 6.869 1.00 0.00 C ATOM 145 CG ASP A 27 15.481 -9.469 7.226 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.696 -10.343 6.810 1.00 0.00 O ATOM 147 OD2 ASP A 27 16.483 -9.746 7.920 1.00 0.00 O ATOM 0 H ASP A 27 13.873 -5.948 4.949 1.00 0.00 H new ATOM 0 HA ASP A 27 14.613 -8.707 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.165 -7.502 6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.709 -7.528 7.702 1.00 0.00 H new ATOM 152 N GLU A 28 12.470 -8.796 6.819 1.00 0.00 N ATOM 153 CA GLU A 28 11.063 -8.912 7.176 1.00 0.00 C ATOM 154 C GLU A 28 10.554 -7.599 7.764 1.00 0.00 C ATOM 155 O GLU A 28 9.406 -7.231 7.558 1.00 0.00 O ATOM 156 CB GLU A 28 10.822 -10.072 8.162 1.00 0.00 C ATOM 157 CG GLU A 28 11.178 -9.775 9.618 1.00 0.00 C ATOM 158 CD GLU A 28 12.666 -9.633 9.862 1.00 0.00 C ATOM 159 OE1 GLU A 28 13.193 -8.511 9.723 1.00 0.00 O ATOM 160 OE2 GLU A 28 13.313 -10.641 10.202 1.00 0.00 O ATOM 0 H GLU A 28 13.085 -9.458 7.293 1.00 0.00 H new ATOM 0 HA GLU A 28 10.506 -9.131 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.771 -10.357 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.401 -10.934 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.679 -8.856 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.790 -10.575 10.249 1.00 0.00 H new ATOM 167 N ALA A 29 11.430 -6.884 8.465 1.00 0.00 N ATOM 168 CA ALA A 29 11.075 -5.609 9.081 1.00 0.00 C ATOM 169 C ALA A 29 10.589 -4.616 8.044 1.00 0.00 C ATOM 170 O ALA A 29 9.551 -3.974 8.213 1.00 0.00 O ATOM 171 CB ALA A 29 12.267 -5.018 9.798 1.00 0.00 C ATOM 0 H ALA A 29 12.397 -7.169 8.621 1.00 0.00 H new ATOM 0 HA ALA A 29 10.273 -5.804 9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.985 -4.068 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.602 -5.705 10.575 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.076 -4.854 9.086 1.00 0.00 H new ATOM 177 N GLN A 30 11.350 -4.498 6.968 1.00 0.00 N ATOM 178 CA GLN A 30 11.004 -3.589 5.896 1.00 0.00 C ATOM 179 C GLN A 30 9.685 -4.017 5.275 1.00 0.00 C ATOM 180 O GLN A 30 8.876 -3.193 4.847 1.00 0.00 O ATOM 181 CB GLN A 30 12.093 -3.566 4.831 1.00 0.00 C ATOM 182 CG GLN A 30 12.271 -2.192 4.238 1.00 0.00 C ATOM 183 CD GLN A 30 13.231 -1.326 5.026 1.00 0.00 C ATOM 184 OE1 GLN A 30 14.430 -1.310 4.755 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.715 -0.605 6.010 1.00 0.00 N ATOM 0 H GLN A 30 12.212 -5.023 6.817 1.00 0.00 H new ATOM 0 HA GLN A 30 10.908 -2.585 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.035 -3.898 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.842 -4.273 4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.634 -2.288 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.302 -1.696 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.714 -0.647 6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.318 -0.008 6.575 1.00 0.00 H new ATOM 194 N GLU A 31 9.472 -5.319 5.262 1.00 0.00 N ATOM 195 CA GLU A 31 8.261 -5.901 4.723 1.00 0.00 C ATOM 196 C GLU A 31 7.084 -5.706 5.689 1.00 0.00 C ATOM 197 O GLU A 31 5.938 -5.642 5.265 1.00 0.00 O ATOM 198 CB GLU A 31 8.506 -7.382 4.427 1.00 0.00 C ATOM 199 CG GLU A 31 7.271 -8.149 3.985 1.00 0.00 C ATOM 200 CD GLU A 31 7.576 -9.592 3.650 1.00 0.00 C ATOM 201 OE1 GLU A 31 7.627 -10.425 4.580 1.00 0.00 O ATOM 202 OE2 GLU A 31 7.758 -9.904 2.457 1.00 0.00 O ATOM 0 H GLU A 31 10.136 -6.003 5.626 1.00 0.00 H new ATOM 0 HA GLU A 31 7.997 -5.396 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.266 -7.463 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.912 -7.856 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.522 -8.113 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.836 -7.661 3.113 1.00 0.00 H new ATOM 209 N GLN A 32 7.379 -5.587 6.985 1.00 0.00 N ATOM 210 CA GLN A 32 6.354 -5.324 8.000 1.00 0.00 C ATOM 211 C GLN A 32 5.690 -3.974 7.751 1.00 0.00 C ATOM 212 O GLN A 32 4.482 -3.824 7.914 1.00 0.00 O ATOM 213 CB GLN A 32 6.974 -5.306 9.399 1.00 0.00 C ATOM 214 CG GLN A 32 7.642 -6.603 9.821 1.00 0.00 C ATOM 215 CD GLN A 32 8.321 -6.481 11.171 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.776 -5.403 11.552 1.00 0.00 O ATOM 217 NE2 GLN A 32 8.392 -7.577 11.905 1.00 0.00 N ATOM 0 H GLN A 32 8.324 -5.669 7.359 1.00 0.00 H new ATOM 0 HA GLN A 32 5.612 -6.120 7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.711 -4.504 9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.195 -5.064 10.122 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.897 -7.398 9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.377 -6.893 9.070 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.003 -8.452 11.554 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.836 -7.548 12.823 1.00 0.00 H new ATOM 226 N GLN A 33 6.488 -2.982 7.375 1.00 0.00 N ATOM 227 CA GLN A 33 5.945 -1.668 7.064 1.00 0.00 C ATOM 228 C GLN A 33 5.062 -1.765 5.833 1.00 0.00 C ATOM 229 O GLN A 33 3.943 -1.259 5.818 1.00 0.00 O ATOM 230 CB GLN A 33 7.054 -0.644 6.830 1.00 0.00 C ATOM 231 CG GLN A 33 6.524 0.765 6.640 1.00 0.00 C ATOM 232 CD GLN A 33 7.619 1.790 6.407 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.404 2.802 5.741 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.797 1.545 6.961 1.00 0.00 N ATOM 0 H GLN A 33 7.500 -3.061 7.279 1.00 0.00 H new ATOM 0 HA GLN A 33 5.357 -1.331 7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.740 -0.658 7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.629 -0.933 5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.838 0.777 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.949 1.051 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.937 0.695 7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.564 2.207 6.842 1.00 0.00 H new ATOM 243 N PHE A 34 5.568 -2.451 4.817 1.00 0.00 N ATOM 244 CA PHE A 34 4.814 -2.703 3.598 1.00 0.00 C ATOM 245 C PHE A 34 3.530 -3.460 3.929 1.00 0.00 C ATOM 246 O PHE A 34 2.468 -3.181 3.375 1.00 0.00 O ATOM 247 CB PHE A 34 5.681 -3.511 2.629 1.00 0.00 C ATOM 248 CG PHE A 34 5.015 -3.856 1.330 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.951 -2.929 0.302 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.441 -5.101 1.142 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.327 -3.239 -0.888 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.818 -5.418 -0.049 1.00 0.00 C ATOM 253 CZ PHE A 34 3.805 -4.504 -1.082 1.00 0.00 C ATOM 0 H PHE A 34 6.508 -2.846 4.815 1.00 0.00 H new ATOM 0 HA PHE A 34 4.543 -1.757 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.589 -2.946 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.988 -4.434 3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.395 -1.953 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.481 -5.833 1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.246 -2.495 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.342 -6.380 -0.171 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.388 -4.776 -2.040 1.00 0.00 H new ATOM 263 N ARG A 35 3.659 -4.410 4.845 1.00 0.00 N ATOM 264 CA ARG A 35 2.544 -5.194 5.362 1.00 0.00 C ATOM 265 C ARG A 35 1.412 -4.280 5.835 1.00 0.00 C ATOM 266 O ARG A 35 0.261 -4.428 5.427 1.00 0.00 O ATOM 267 CB ARG A 35 3.057 -6.004 6.555 1.00 0.00 C ATOM 268 CG ARG A 35 2.544 -7.423 6.680 1.00 0.00 C ATOM 269 CD ARG A 35 3.128 -8.327 5.612 1.00 0.00 C ATOM 270 NE ARG A 35 2.460 -8.186 4.318 1.00 0.00 N ATOM 271 CZ ARG A 35 2.920 -8.705 3.184 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.030 -9.432 3.183 1.00 0.00 N ATOM 273 NH2 ARG A 35 2.251 -8.517 2.055 1.00 0.00 N ATOM 0 H ARG A 35 4.557 -4.662 5.257 1.00 0.00 H new ATOM 0 HA ARG A 35 2.158 -5.843 4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.145 -6.038 6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.800 -5.467 7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.795 -7.815 7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.457 -7.425 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.188 -8.103 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.056 -9.364 5.941 1.00 0.00 H new ATOM 0 HE ARG A 35 1.588 -7.657 4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.534 -9.595 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.379 -9.828 2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.387 -7.976 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.601 -8.914 1.183 1.00 0.00 H new ATOM 287 N GLN A 36 1.762 -3.319 6.676 1.00 0.00 N ATOM 288 CA GLN A 36 0.784 -2.401 7.244 1.00 0.00 C ATOM 289 C GLN A 36 0.305 -1.398 6.214 1.00 0.00 C ATOM 290 O GLN A 36 -0.888 -1.192 6.052 1.00 0.00 O ATOM 291 CB GLN A 36 1.376 -1.659 8.441 1.00 0.00 C ATOM 292 CG GLN A 36 1.956 -2.582 9.499 1.00 0.00 C ATOM 293 CD GLN A 36 0.900 -3.381 10.232 1.00 0.00 C ATOM 294 OE1 GLN A 36 -0.235 -2.936 10.397 1.00 0.00 O ATOM 295 NE2 GLN A 36 1.266 -4.568 10.678 1.00 0.00 N ATOM 0 H GLN A 36 2.721 -3.153 6.982 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.069 -2.995 7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.157 -0.985 8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.601 -1.041 8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.660 -3.268 9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.521 -1.990 10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.217 -4.901 10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.598 -5.152 11.180 1.00 0.00 H new ATOM 304 N LEU A 37 1.245 -0.800 5.504 1.00 0.00 N ATOM 305 CA LEU A 37 0.936 0.290 4.590 1.00 0.00 C ATOM 306 C LEU A 37 -0.007 -0.156 3.480 1.00 0.00 C ATOM 307 O LEU A 37 -0.716 0.658 2.891 1.00 0.00 O ATOM 308 CB LEU A 37 2.224 0.871 4.013 1.00 0.00 C ATOM 309 CG LEU A 37 3.149 1.536 5.035 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.356 2.150 4.344 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.396 2.578 5.844 1.00 0.00 C ATOM 0 H LEU A 37 2.233 -1.051 5.542 1.00 0.00 H new ATOM 0 HA LEU A 37 0.421 1.068 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.773 0.073 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.964 1.604 3.250 1.00 0.00 H new ATOM 0 HG LEU A 37 3.507 0.771 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.002 2.618 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.911 1.371 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.022 2.902 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.073 3.038 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.003 3.344 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.572 2.101 6.374 1.00 0.00 H new ATOM 323 N THR A 38 -0.023 -1.451 3.197 1.00 0.00 N ATOM 324 CA THR A 38 -0.926 -1.982 2.198 1.00 0.00 C ATOM 325 C THR A 38 -2.309 -2.272 2.784 1.00 0.00 C ATOM 326 O THR A 38 -3.318 -2.079 2.109 1.00 0.00 O ATOM 327 CB THR A 38 -0.374 -3.263 1.548 1.00 0.00 C ATOM 328 OG1 THR A 38 0.183 -4.131 2.541 1.00 0.00 O ATOM 329 CG2 THR A 38 0.670 -2.935 0.494 1.00 0.00 C ATOM 0 H THR A 38 0.576 -2.145 3.644 1.00 0.00 H new ATOM 0 HA THR A 38 -1.018 -1.211 1.433 1.00 0.00 H new ATOM 0 HB THR A 38 -1.204 -3.774 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.153 -3.999 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.043 -3.859 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.221 -2.316 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.496 -2.395 0.956 1.00 0.00 H new ATOM 337 N GLU A 39 -2.362 -2.734 4.038 1.00 0.00 N ATOM 338 CA GLU A 39 -3.635 -3.165 4.619 1.00 0.00 C ATOM 339 C GLU A 39 -4.261 -2.096 5.514 1.00 0.00 C ATOM 340 O GLU A 39 -5.414 -2.225 5.926 1.00 0.00 O ATOM 341 CB GLU A 39 -3.460 -4.481 5.373 1.00 0.00 C ATOM 342 CG GLU A 39 -3.025 -5.621 4.466 1.00 0.00 C ATOM 343 CD GLU A 39 -2.990 -6.957 5.170 1.00 0.00 C ATOM 344 OE1 GLU A 39 -4.049 -7.606 5.265 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.910 -7.359 5.644 1.00 0.00 O ATOM 0 H GLU A 39 -1.556 -2.818 4.658 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.329 -3.324 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.721 -4.347 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.400 -4.746 5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.706 -5.682 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.035 -5.402 4.066 1.00 0.00 H new ATOM 352 N GLU A 40 -3.502 -1.054 5.824 1.00 0.00 N ATOM 353 CA GLU A 40 -4.034 0.098 6.552 1.00 0.00 C ATOM 354 C GLU A 40 -4.666 1.060 5.550 1.00 0.00 C ATOM 355 O GLU A 40 -5.314 2.043 5.908 1.00 0.00 O ATOM 356 CB GLU A 40 -2.924 0.784 7.367 1.00 0.00 C ATOM 357 CG GLU A 40 -3.434 1.799 8.381 1.00 0.00 C ATOM 358 CD GLU A 40 -2.355 2.258 9.347 1.00 0.00 C ATOM 359 OE1 GLU A 40 -2.157 1.588 10.384 1.00 0.00 O ATOM 360 OE2 GLU A 40 -1.709 3.297 9.092 1.00 0.00 O ATOM 0 H GLU A 40 -2.514 -0.979 5.584 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.795 -0.230 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.348 0.021 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.240 1.284 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.834 2.664 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.258 1.361 8.945 1.00 0.00 H new ATOM 367 N LEU A 41 -4.471 0.740 4.278 1.00 0.00 N ATOM 368 CA LEU A 41 -5.073 1.480 3.182 1.00 0.00 C ATOM 369 C LEU A 41 -6.398 0.838 2.780 1.00 0.00 C ATOM 370 O LEU A 41 -6.517 -0.389 2.727 1.00 0.00 O ATOM 371 CB LEU A 41 -4.113 1.519 1.986 1.00 0.00 C ATOM 372 CG LEU A 41 -4.718 1.995 0.662 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.332 3.375 0.811 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.662 1.990 -0.424 1.00 0.00 C ATOM 0 H LEU A 41 -3.889 -0.042 3.978 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.267 2.502 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.276 2.171 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.705 0.519 1.839 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.514 1.306 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.755 3.690 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.119 3.344 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.563 4.084 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.102 2.330 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.847 2.657 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.275 0.979 -0.551 1.00 0.00 H new ATOM 386 N ARG A 42 -7.392 1.667 2.497 1.00 0.00 N ATOM 387 CA ARG A 42 -8.691 1.177 2.084 1.00 0.00 C ATOM 388 C ARG A 42 -8.779 1.064 0.572 1.00 0.00 C ATOM 389 O ARG A 42 -8.338 1.950 -0.157 1.00 0.00 O ATOM 390 CB ARG A 42 -9.808 2.099 2.570 1.00 0.00 C ATOM 391 CG ARG A 42 -10.741 1.465 3.578 1.00 0.00 C ATOM 392 CD ARG A 42 -12.187 1.744 3.213 1.00 0.00 C ATOM 393 NE ARG A 42 -12.606 0.996 2.027 1.00 0.00 N ATOM 394 CZ ARG A 42 -13.858 0.958 1.574 1.00 0.00 C ATOM 395 NH1 ARG A 42 -14.823 1.596 2.224 1.00 0.00 N ATOM 396 NH2 ARG A 42 -14.146 0.263 0.482 1.00 0.00 N ATOM 0 H ARG A 42 -7.320 2.683 2.547 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.814 0.190 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.362 2.989 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.391 2.430 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.570 0.389 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.529 1.855 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.830 1.482 4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.316 2.811 3.033 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.896 0.472 1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.607 2.118 3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.781 1.565 1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.409 -0.242 -0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.104 0.233 0.134 1.00 0.00 H new ATOM 410 N CYS A 43 -9.351 -0.029 0.110 1.00 0.00 N ATOM 411 CA CYS A 43 -9.645 -0.205 -1.298 1.00 0.00 C ATOM 412 C CYS A 43 -11.154 -0.253 -1.490 1.00 0.00 C ATOM 413 O CYS A 43 -11.872 -0.777 -0.633 1.00 0.00 O ATOM 414 CB CYS A 43 -9.000 -1.496 -1.808 1.00 0.00 C ATOM 415 SG CYS A 43 -9.474 -2.970 -0.873 1.00 0.00 S ATOM 0 H CYS A 43 -9.624 -0.817 0.697 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.238 0.631 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.272 -1.638 -2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.916 -1.388 -1.772 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.715 -3.967 -1.221 1.00 0.00 H new ATOM 421 N PRO A 44 -11.665 0.334 -2.584 1.00 0.00 N ATOM 422 CA PRO A 44 -13.086 0.255 -2.939 1.00 0.00 C ATOM 423 C PRO A 44 -13.521 -1.192 -3.137 1.00 0.00 C ATOM 424 O PRO A 44 -12.683 -2.054 -3.415 1.00 0.00 O ATOM 425 CB PRO A 44 -13.177 1.036 -4.255 1.00 0.00 C ATOM 426 CG PRO A 44 -11.981 1.923 -4.247 1.00 0.00 C ATOM 427 CD PRO A 44 -10.907 1.135 -3.558 1.00 0.00 C ATOM 0 HA PRO A 44 -13.736 0.657 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.169 0.366 -5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.099 1.614 -4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.683 2.191 -5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.186 2.854 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.355 0.506 -4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.180 1.783 -3.070 1.00 0.00 H new ATOM 435 N LYS A 45 -14.826 -1.439 -3.000 1.00 0.00 N ATOM 436 CA LYS A 45 -15.384 -2.794 -3.024 1.00 0.00 C ATOM 437 C LYS A 45 -15.079 -3.504 -1.707 1.00 0.00 C ATOM 438 O LYS A 45 -13.944 -3.900 -1.441 1.00 0.00 O ATOM 439 CB LYS A 45 -14.857 -3.596 -4.224 1.00 0.00 C ATOM 440 CG LYS A 45 -15.294 -5.049 -4.253 1.00 0.00 C ATOM 441 CD LYS A 45 -14.720 -5.761 -5.467 1.00 0.00 C ATOM 442 CE LYS A 45 -15.075 -7.239 -5.485 1.00 0.00 C ATOM 443 NZ LYS A 45 -14.574 -7.900 -6.718 1.00 0.00 N ATOM 0 H LYS A 45 -15.525 -0.707 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.465 -2.721 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.189 -3.112 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.768 -3.558 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.966 -5.550 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.382 -5.106 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.094 -5.288 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.636 -5.649 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.649 -7.728 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.157 -7.356 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.832 -8.907 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.000 -7.448 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.539 -7.808 -6.765 1.00 0.00 H new ATOM 457 N CYS A 46 -16.114 -3.648 -0.886 1.00 0.00 N ATOM 458 CA CYS A 46 -15.975 -4.191 0.461 1.00 0.00 C ATOM 459 C CYS A 46 -15.485 -5.631 0.439 1.00 0.00 C ATOM 460 O CYS A 46 -14.651 -6.023 1.255 1.00 0.00 O ATOM 461 CB CYS A 46 -17.314 -4.109 1.188 1.00 0.00 C ATOM 462 SG CYS A 46 -18.040 -2.453 1.199 1.00 0.00 S ATOM 0 H CYS A 46 -17.070 -3.393 -1.134 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.230 -3.595 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -18.015 -4.799 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.179 -4.443 2.217 1.00 0.00 H new ATOM 0 HG CYS A 46 -19.174 -2.480 1.835 1.00 0.00 H new ATOM 468 N GLN A 47 -15.989 -6.409 -0.508 1.00 0.00 N ATOM 469 CA GLN A 47 -15.635 -7.819 -0.606 1.00 0.00 C ATOM 470 C GLN A 47 -14.350 -7.995 -1.413 1.00 0.00 C ATOM 471 O GLN A 47 -14.282 -8.793 -2.350 1.00 0.00 O ATOM 472 CB GLN A 47 -16.791 -8.599 -1.229 1.00 0.00 C ATOM 473 CG GLN A 47 -18.099 -8.405 -0.482 1.00 0.00 C ATOM 474 CD GLN A 47 -18.050 -8.917 0.945 1.00 0.00 C ATOM 475 OE1 GLN A 47 -17.688 -8.187 1.869 1.00 0.00 O ATOM 476 NE2 GLN A 47 -18.418 -10.172 1.137 1.00 0.00 N ATOM 0 H GLN A 47 -16.645 -6.088 -1.220 1.00 0.00 H new ATOM 0 HA GLN A 47 -15.452 -8.212 0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.919 -8.285 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -16.541 -9.660 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.352 -7.345 -0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.897 -8.918 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.711 -10.744 0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.409 -10.568 2.077 1.00 0.00 H new ATOM 485 N ASN A 48 -13.343 -7.224 -1.035 1.00 0.00 N ATOM 486 CA ASN A 48 -12.035 -7.253 -1.668 1.00 0.00 C ATOM 487 C ASN A 48 -10.992 -6.814 -0.653 1.00 0.00 C ATOM 488 O ASN A 48 -11.079 -5.709 -0.116 1.00 0.00 O ATOM 489 CB ASN A 48 -12.016 -6.324 -2.888 1.00 0.00 C ATOM 490 CG ASN A 48 -10.671 -6.296 -3.592 1.00 0.00 C ATOM 491 OD1 ASN A 48 -10.412 -7.094 -4.494 1.00 0.00 O ATOM 492 ND2 ASN A 48 -9.812 -5.368 -3.199 1.00 0.00 N ATOM 0 H ASN A 48 -13.412 -6.552 -0.271 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.812 -8.264 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.783 -6.644 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.276 -5.314 -2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.899 -5.296 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.064 -4.725 -2.448 1.00 0.00 H new ATOM 499 N ASN A 49 -10.035 -7.686 -0.362 1.00 0.00 N ATOM 500 CA ASN A 49 -8.999 -7.383 0.621 1.00 0.00 C ATOM 501 C ASN A 49 -8.108 -6.253 0.130 1.00 0.00 C ATOM 502 O ASN A 49 -8.033 -5.999 -1.073 1.00 0.00 O ATOM 503 CB ASN A 49 -8.147 -8.619 0.926 1.00 0.00 C ATOM 504 CG ASN A 49 -8.945 -9.736 1.571 1.00 0.00 C ATOM 505 OD1 ASN A 49 -9.488 -10.604 0.889 1.00 0.00 O ATOM 506 ND2 ASN A 49 -9.021 -9.723 2.892 1.00 0.00 N ATOM 0 H ASN A 49 -9.953 -8.608 -0.791 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.497 -7.071 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.700 -8.984 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.327 -8.336 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.544 -10.450 3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.557 -8.986 3.422 1.00 0.00 H new ATOM 513 N SER A 50 -7.432 -5.592 1.061 1.00 0.00 N ATOM 514 CA SER A 50 -6.562 -4.468 0.738 1.00 0.00 C ATOM 515 C SER A 50 -5.526 -4.848 -0.324 1.00 0.00 C ATOM 516 O SER A 50 -5.318 -6.028 -0.622 1.00 0.00 O ATOM 517 CB SER A 50 -5.866 -3.978 2.006 1.00 0.00 C ATOM 518 OG SER A 50 -6.810 -3.540 2.968 1.00 0.00 O ATOM 0 H SER A 50 -7.470 -5.818 2.055 1.00 0.00 H new ATOM 0 HA SER A 50 -7.176 -3.667 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.260 -4.781 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.187 -3.162 1.760 1.00 0.00 H new ATOM 0 HG SER A 50 -6.830 -2.560 2.984 1.00 0.00 H new ATOM 524 N ILE A 51 -4.875 -3.821 -0.877 1.00 0.00 N ATOM 525 CA ILE A 51 -4.042 -3.948 -2.077 1.00 0.00 C ATOM 526 C ILE A 51 -2.957 -5.018 -1.960 1.00 0.00 C ATOM 527 O ILE A 51 -2.369 -5.414 -2.969 1.00 0.00 O ATOM 528 CB ILE A 51 -3.379 -2.603 -2.435 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.533 -2.094 -1.263 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.438 -1.579 -2.818 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.730 -0.850 -1.582 1.00 0.00 C ATOM 0 H ILE A 51 -4.911 -2.873 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.725 -4.257 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.721 -2.755 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.189 -1.885 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.851 -2.884 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.956 -0.634 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.999 -1.940 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.119 -1.429 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.158 -0.551 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.048 -1.059 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.406 -0.044 -1.866 1.00 0.00 H new ATOM 543 N ALA A 52 -2.694 -5.476 -0.743 1.00 0.00 N ATOM 544 CA ALA A 52 -1.712 -6.526 -0.509 1.00 0.00 C ATOM 545 C ALA A 52 -2.174 -7.858 -1.092 1.00 0.00 C ATOM 546 O ALA A 52 -1.374 -8.624 -1.625 1.00 0.00 O ATOM 547 CB ALA A 52 -1.444 -6.673 0.982 1.00 0.00 C ATOM 0 H ALA A 52 -3.151 -5.134 0.102 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.789 -6.239 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.708 -7.461 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.061 -5.732 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.371 -6.931 1.495 1.00 0.00 H new ATOM 553 N ASP A 53 -3.473 -8.118 -1.008 1.00 0.00 N ATOM 554 CA ASP A 53 -4.024 -9.401 -1.434 1.00 0.00 C ATOM 555 C ASP A 53 -4.911 -9.251 -2.660 1.00 0.00 C ATOM 556 O ASP A 53 -5.562 -10.205 -3.083 1.00 0.00 O ATOM 557 CB ASP A 53 -4.826 -10.051 -0.303 1.00 0.00 C ATOM 558 CG ASP A 53 -3.954 -10.566 0.821 1.00 0.00 C ATOM 559 OD1 ASP A 53 -3.417 -11.688 0.704 1.00 0.00 O ATOM 560 OD2 ASP A 53 -3.787 -9.839 1.825 1.00 0.00 O ATOM 0 H ASP A 53 -4.165 -7.459 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.180 -10.041 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.533 -9.325 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.412 -10.876 -0.708 1.00 0.00 H new ATOM 565 N SER A 54 -4.945 -8.057 -3.232 1.00 0.00 N ATOM 566 CA SER A 54 -5.764 -7.815 -4.410 1.00 0.00 C ATOM 567 C SER A 54 -5.148 -8.464 -5.649 1.00 0.00 C ATOM 568 O SER A 54 -5.860 -8.847 -6.577 1.00 0.00 O ATOM 569 CB SER A 54 -5.939 -6.316 -4.639 1.00 0.00 C ATOM 570 OG SER A 54 -6.420 -5.669 -3.475 1.00 0.00 O ATOM 0 H SER A 54 -4.420 -7.247 -2.903 1.00 0.00 H new ATOM 0 HA SER A 54 -6.742 -8.264 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.986 -5.877 -4.933 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.634 -6.151 -5.463 1.00 0.00 H new ATOM 0 HG SER A 54 -6.961 -6.297 -2.951 1.00 0.00 H new ATOM 576 N ASN A 55 -3.813 -8.566 -5.649 1.00 0.00 N ATOM 577 CA ASN A 55 -3.047 -9.180 -6.752 1.00 0.00 C ATOM 578 C ASN A 55 -3.195 -8.415 -8.066 1.00 0.00 C ATOM 579 O ASN A 55 -2.630 -8.808 -9.089 1.00 0.00 O ATOM 580 CB ASN A 55 -3.444 -10.646 -6.965 1.00 0.00 C ATOM 581 CG ASN A 55 -2.900 -11.572 -5.894 1.00 0.00 C ATOM 582 OD1 ASN A 55 -2.774 -11.196 -4.729 1.00 0.00 O ATOM 583 ND2 ASN A 55 -2.561 -12.789 -6.287 1.00 0.00 N ATOM 0 H ASN A 55 -3.229 -8.226 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.001 -9.133 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.531 -10.722 -6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.083 -10.976 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.180 -13.454 -5.615 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.681 -13.062 -7.262 1.00 0.00 H new ATOM 590 N SER A 56 -3.945 -7.325 -8.034 1.00 0.00 N ATOM 591 CA SER A 56 -4.173 -6.507 -9.213 1.00 0.00 C ATOM 592 C SER A 56 -2.897 -5.794 -9.631 1.00 0.00 C ATOM 593 O SER A 56 -2.074 -5.428 -8.790 1.00 0.00 O ATOM 594 CB SER A 56 -5.276 -5.483 -8.941 1.00 0.00 C ATOM 595 OG SER A 56 -5.409 -4.571 -10.017 1.00 0.00 O ATOM 0 H SER A 56 -4.411 -6.984 -7.193 1.00 0.00 H new ATOM 0 HA SER A 56 -4.486 -7.162 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.222 -5.999 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.051 -4.937 -8.025 1.00 0.00 H new ATOM 0 HG SER A 56 -6.122 -3.930 -9.816 1.00 0.00 H new ATOM 601 N MET A 57 -2.742 -5.600 -10.932 1.00 0.00 N ATOM 602 CA MET A 57 -1.618 -4.849 -11.475 1.00 0.00 C ATOM 603 C MET A 57 -1.599 -3.453 -10.872 1.00 0.00 C ATOM 604 O MET A 57 -0.562 -2.949 -10.441 1.00 0.00 O ATOM 605 CB MET A 57 -1.744 -4.728 -12.993 1.00 0.00 C ATOM 606 CG MET A 57 -2.340 -5.948 -13.660 1.00 0.00 C ATOM 607 SD MET A 57 -3.775 -5.533 -14.669 1.00 0.00 S ATOM 608 CE MET A 57 -4.910 -4.979 -13.400 1.00 0.00 C ATOM 0 H MET A 57 -3.387 -5.956 -11.638 1.00 0.00 H new ATOM 0 HA MET A 57 -0.696 -5.377 -11.229 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.361 -3.860 -13.228 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.757 -4.541 -13.416 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.584 -6.426 -14.284 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.629 -6.672 -12.899 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.582 -4.228 -13.816 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.492 -5.826 -13.037 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.348 -4.545 -12.573 1.00 0.00 H new ATOM 618 N ILE A 58 -2.780 -2.854 -10.825 1.00 0.00 N ATOM 619 CA ILE A 58 -2.942 -1.502 -10.327 1.00 0.00 C ATOM 620 C ILE A 58 -2.796 -1.494 -8.806 1.00 0.00 C ATOM 621 O ILE A 58 -2.327 -0.521 -8.221 1.00 0.00 O ATOM 622 CB ILE A 58 -4.303 -0.901 -10.793 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.395 -1.006 -9.724 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.766 -1.587 -12.071 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.385 0.154 -8.758 1.00 0.00 C ATOM 0 H ILE A 58 -3.649 -3.293 -11.131 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.160 -0.866 -10.742 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.134 0.160 -10.978 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.369 -1.059 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.265 -1.935 -9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.717 -1.160 -12.389 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.022 -1.438 -12.854 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.890 -2.654 -11.887 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.181 0.024 -8.025 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.423 0.193 -8.247 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.544 1.084 -9.304 1.00 0.00 H new ATOM 637 N ALA A 59 -3.178 -2.598 -8.173 1.00 0.00 N ATOM 638 CA ALA A 59 -3.002 -2.750 -6.734 1.00 0.00 C ATOM 639 C ALA A 59 -1.518 -2.799 -6.399 1.00 0.00 C ATOM 640 O ALA A 59 -1.073 -2.257 -5.390 1.00 0.00 O ATOM 641 CB ALA A 59 -3.709 -4.001 -6.236 1.00 0.00 C ATOM 0 H ALA A 59 -3.611 -3.399 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.447 -1.892 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.565 -4.096 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.774 -3.928 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.295 -4.876 -6.736 1.00 0.00 H new ATOM 647 N THR A 60 -0.760 -3.454 -7.266 1.00 0.00 N ATOM 648 CA THR A 60 0.687 -3.483 -7.160 1.00 0.00 C ATOM 649 C THR A 60 1.275 -2.091 -7.398 1.00 0.00 C ATOM 650 O THR A 60 2.226 -1.691 -6.728 1.00 0.00 O ATOM 651 CB THR A 60 1.279 -4.491 -8.159 1.00 0.00 C ATOM 652 OG1 THR A 60 0.787 -5.804 -7.863 1.00 0.00 O ATOM 653 CG2 THR A 60 2.793 -4.481 -8.098 1.00 0.00 C ATOM 0 H THR A 60 -1.131 -3.978 -8.059 1.00 0.00 H new ATOM 0 HA THR A 60 0.949 -3.799 -6.150 1.00 0.00 H new ATOM 0 HB THR A 60 0.975 -4.206 -9.166 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.160 -5.861 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.191 -5.201 -8.813 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.160 -3.485 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.118 -4.750 -7.093 1.00 0.00 H new ATOM 661 N ASP A 61 0.691 -1.365 -8.346 1.00 0.00 N ATOM 662 CA ASP A 61 1.075 0.028 -8.617 1.00 0.00 C ATOM 663 C ASP A 61 1.047 0.838 -7.330 1.00 0.00 C ATOM 664 O ASP A 61 1.998 1.548 -6.997 1.00 0.00 O ATOM 665 CB ASP A 61 0.101 0.673 -9.607 1.00 0.00 C ATOM 666 CG ASP A 61 0.782 1.616 -10.582 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.023 2.786 -10.213 1.00 0.00 O ATOM 668 OD2 ASP A 61 1.108 1.184 -11.706 1.00 0.00 O ATOM 0 H ASP A 61 -0.055 -1.716 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 61 2.080 0.021 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.412 -0.110 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.661 1.221 -9.053 1.00 0.00 H new ATOM 673 N LEU A 62 -0.055 0.709 -6.605 1.00 0.00 N ATOM 674 CA LEU A 62 -0.254 1.435 -5.361 1.00 0.00 C ATOM 675 C LEU A 62 0.747 0.973 -4.309 1.00 0.00 C ATOM 676 O LEU A 62 1.248 1.770 -3.515 1.00 0.00 O ATOM 677 CB LEU A 62 -1.683 1.220 -4.857 1.00 0.00 C ATOM 678 CG LEU A 62 -2.782 1.330 -5.919 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.154 1.244 -5.273 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.639 2.616 -6.725 1.00 0.00 C ATOM 0 H LEU A 62 -0.832 0.101 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.096 2.498 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.743 0.233 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.886 1.949 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.674 0.493 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.923 1.324 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.254 0.289 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.271 2.057 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.432 2.668 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.713 3.474 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.670 2.627 -7.224 1.00 0.00 H new ATOM 692 N ARG A 63 1.046 -0.320 -4.322 1.00 0.00 N ATOM 693 CA ARG A 63 2.015 -0.892 -3.395 1.00 0.00 C ATOM 694 C ARG A 63 3.411 -0.344 -3.659 1.00 0.00 C ATOM 695 O ARG A 63 4.231 -0.242 -2.746 1.00 0.00 O ATOM 696 CB ARG A 63 2.020 -2.418 -3.484 1.00 0.00 C ATOM 697 CG ARG A 63 0.750 -3.054 -2.949 1.00 0.00 C ATOM 698 CD ARG A 63 0.906 -4.551 -2.780 1.00 0.00 C ATOM 699 NE ARG A 63 0.916 -5.263 -4.061 1.00 0.00 N ATOM 700 CZ ARG A 63 1.571 -6.410 -4.276 1.00 0.00 C ATOM 701 NH1 ARG A 63 2.247 -6.991 -3.293 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.549 -6.984 -5.473 1.00 0.00 N ATOM 0 H ARG A 63 0.631 -0.994 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 63 1.718 -0.606 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.156 -2.714 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.874 -2.805 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.493 -2.604 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.076 -2.848 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.833 -4.758 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.091 -4.931 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 63 0.391 -4.859 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.269 -6.563 -2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.744 -7.865 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.030 -6.551 -6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.051 -7.858 -5.629 1.00 0.00 H new ATOM 716 N GLN A 64 3.676 0.009 -4.912 1.00 0.00 N ATOM 717 CA GLN A 64 4.938 0.633 -5.269 1.00 0.00 C ATOM 718 C GLN A 64 5.024 2.019 -4.648 1.00 0.00 C ATOM 719 O GLN A 64 6.068 2.406 -4.128 1.00 0.00 O ATOM 720 CB GLN A 64 5.100 0.721 -6.786 1.00 0.00 C ATOM 721 CG GLN A 64 5.081 -0.630 -7.480 1.00 0.00 C ATOM 722 CD GLN A 64 5.375 -0.523 -8.963 1.00 0.00 C ATOM 723 OE1 GLN A 64 6.119 0.353 -9.401 1.00 0.00 O ATOM 724 NE2 GLN A 64 4.795 -1.417 -9.747 1.00 0.00 N ATOM 0 H GLN A 64 3.034 -0.127 -5.693 1.00 0.00 H new ATOM 0 HA GLN A 64 5.748 0.015 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.300 1.340 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.040 1.224 -7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.816 -1.285 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.105 -1.094 -7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.184 -2.128 -9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.959 -1.395 -10.754 1.00 0.00 H new ATOM 733 N LYS A 65 3.911 2.752 -4.682 1.00 0.00 N ATOM 734 CA LYS A 65 3.844 4.065 -4.051 1.00 0.00 C ATOM 735 C LYS A 65 4.140 3.950 -2.563 1.00 0.00 C ATOM 736 O LYS A 65 4.851 4.780 -1.998 1.00 0.00 O ATOM 737 CB LYS A 65 2.476 4.709 -4.267 1.00 0.00 C ATOM 738 CG LYS A 65 2.320 6.071 -3.601 1.00 0.00 C ATOM 739 CD LYS A 65 3.018 7.171 -4.390 1.00 0.00 C ATOM 740 CE LYS A 65 4.450 7.320 -3.931 1.00 0.00 C ATOM 741 NZ LYS A 65 5.284 8.143 -4.846 1.00 0.00 N ATOM 0 H LYS A 65 3.048 2.458 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 65 4.597 4.702 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.302 4.817 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.706 4.039 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.261 6.309 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.731 6.031 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.993 6.936 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.487 8.114 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.460 7.771 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.897 6.331 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.086 8.543 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.641 7.547 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.709 8.915 -5.240 1.00 0.00 H new ATOM 755 N VAL A 66 3.593 2.910 -1.940 1.00 0.00 N ATOM 756 CA VAL A 66 3.873 2.615 -0.540 1.00 0.00 C ATOM 757 C VAL A 66 5.379 2.504 -0.297 1.00 0.00 C ATOM 758 O VAL A 66 5.905 3.044 0.676 1.00 0.00 O ATOM 759 CB VAL A 66 3.149 1.317 -0.082 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.901 0.625 1.046 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.724 1.639 0.343 1.00 0.00 C ATOM 0 H VAL A 66 2.950 2.255 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 66 3.489 3.443 0.056 1.00 0.00 H new ATOM 0 HB VAL A 66 3.122 0.629 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.366 -0.278 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.902 0.359 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.975 1.298 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.224 0.725 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.743 2.350 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.183 2.074 -0.498 1.00 0.00 H new ATOM 771 N TYR A 67 6.070 1.839 -1.212 1.00 0.00 N ATOM 772 CA TYR A 67 7.508 1.646 -1.098 1.00 0.00 C ATOM 773 C TYR A 67 8.262 2.954 -1.345 1.00 0.00 C ATOM 774 O TYR A 67 9.196 3.289 -0.616 1.00 0.00 O ATOM 775 CB TYR A 67 7.962 0.574 -2.088 1.00 0.00 C ATOM 776 CG TYR A 67 9.456 0.320 -2.109 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.062 -0.443 -1.118 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.259 0.865 -3.100 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.427 -0.653 -1.113 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.626 0.653 -3.107 1.00 0.00 C ATOM 781 CZ TYR A 67 12.189 -0.185 -2.184 1.00 0.00 C ATOM 782 OH TYR A 67 13.566 -0.299 -2.102 1.00 0.00 O ATOM 0 H TYR A 67 5.655 1.422 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 67 7.735 1.319 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.452 -0.360 -1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.643 0.865 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.455 -0.879 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.810 1.464 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.898 -1.172 -0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.247 1.148 -3.839 1.00 0.00 H new ATOM 0 HH TYR A 67 13.973 0.065 -2.916 1.00 0.00 H new ATOM 792 N GLU A 68 7.856 3.689 -2.379 1.00 0.00 N ATOM 793 CA GLU A 68 8.480 4.970 -2.704 1.00 0.00 C ATOM 794 C GLU A 68 8.361 5.934 -1.525 1.00 0.00 C ATOM 795 O GLU A 68 9.338 6.551 -1.109 1.00 0.00 O ATOM 796 CB GLU A 68 7.826 5.589 -3.945 1.00 0.00 C ATOM 797 CG GLU A 68 7.758 4.648 -5.136 1.00 0.00 C ATOM 798 CD GLU A 68 7.133 5.292 -6.358 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.131 6.021 -6.206 1.00 0.00 O ATOM 800 OE2 GLU A 68 7.654 5.087 -7.476 1.00 0.00 O ATOM 0 H GLU A 68 7.098 3.419 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 68 9.535 4.791 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.816 5.911 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.382 6.482 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.764 4.309 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.182 3.764 -4.862 1.00 0.00 H new ATOM 807 N LEU A 69 7.161 6.021 -0.970 1.00 0.00 N ATOM 808 CA LEU A 69 6.874 6.919 0.144 1.00 0.00 C ATOM 809 C LEU A 69 7.740 6.609 1.361 1.00 0.00 C ATOM 810 O LEU A 69 8.031 7.499 2.166 1.00 0.00 O ATOM 811 CB LEU A 69 5.393 6.842 0.496 1.00 0.00 C ATOM 812 CG LEU A 69 4.468 7.507 -0.520 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.031 7.431 -0.050 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.874 8.956 -0.737 1.00 0.00 C ATOM 0 H LEU A 69 6.358 5.472 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 69 7.116 7.935 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.110 5.794 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.239 7.308 1.469 1.00 0.00 H new ATOM 0 HG LEU A 69 4.555 6.976 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.382 7.909 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.741 6.387 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.934 7.942 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.205 9.416 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.811 9.497 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.897 8.995 -1.110 1.00 0.00 H new ATOM 826 N MET A 70 8.149 5.353 1.495 1.00 0.00 N ATOM 827 CA MET A 70 9.052 4.960 2.573 1.00 0.00 C ATOM 828 C MET A 70 10.342 5.768 2.497 1.00 0.00 C ATOM 829 O MET A 70 10.735 6.418 3.465 1.00 0.00 O ATOM 830 CB MET A 70 9.399 3.471 2.499 1.00 0.00 C ATOM 831 CG MET A 70 8.221 2.537 2.689 1.00 0.00 C ATOM 832 SD MET A 70 8.703 0.804 2.606 1.00 0.00 S ATOM 833 CE MET A 70 7.099 0.028 2.718 1.00 0.00 C ATOM 0 H MET A 70 7.872 4.592 0.875 1.00 0.00 H new ATOM 0 HA MET A 70 8.540 5.155 3.515 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.856 3.266 1.531 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.148 3.248 3.259 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.754 2.736 3.654 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.472 2.741 1.924 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.070 -0.843 2.064 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.917 -0.284 3.746 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.330 0.737 2.413 1.00 0.00 H new ATOM 843 N GLN A 71 10.984 5.750 1.333 1.00 0.00 N ATOM 844 CA GLN A 71 12.251 6.450 1.157 1.00 0.00 C ATOM 845 C GLN A 71 12.025 7.955 1.029 1.00 0.00 C ATOM 846 O GLN A 71 12.938 8.749 1.269 1.00 0.00 O ATOM 847 CB GLN A 71 13.020 5.916 -0.056 1.00 0.00 C ATOM 848 CG GLN A 71 12.286 6.066 -1.378 1.00 0.00 C ATOM 849 CD GLN A 71 13.116 6.770 -2.437 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.984 7.676 -2.012 1.00 0.00 O flip ATOM 851 NE2 GLN A 71 12.972 6.504 -3.626 1.00 0.00 N flip ATOM 0 H GLN A 71 10.650 5.261 0.502 1.00 0.00 H new ATOM 0 HA GLN A 71 12.857 6.266 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.975 6.436 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.242 4.861 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.001 5.080 -1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.364 6.625 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.292 5.799 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.532 6.987 -4.328 1.00 0.00 H new ATOM 860 N GLU A 72 10.807 8.345 0.648 1.00 0.00 N ATOM 861 CA GLU A 72 10.443 9.757 0.621 1.00 0.00 C ATOM 862 C GLU A 72 10.401 10.310 2.039 1.00 0.00 C ATOM 863 O GLU A 72 10.593 11.504 2.265 1.00 0.00 O ATOM 864 CB GLU A 72 9.085 9.986 -0.050 1.00 0.00 C ATOM 865 CG GLU A 72 9.030 9.530 -1.496 1.00 0.00 C ATOM 866 CD GLU A 72 7.795 10.023 -2.227 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.304 11.132 -1.904 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.299 9.299 -3.116 1.00 0.00 O ATOM 0 H GLU A 72 10.065 7.708 0.357 1.00 0.00 H new ATOM 0 HA GLU A 72 11.202 10.277 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.317 9.459 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.842 11.048 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.919 9.884 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.054 8.441 -1.529 1.00 0.00 H new ATOM 875 N GLY A 73 10.129 9.427 2.994 1.00 0.00 N ATOM 876 CA GLY A 73 10.150 9.810 4.384 1.00 0.00 C ATOM 877 C GLY A 73 8.770 10.137 4.884 1.00 0.00 C ATOM 878 O GLY A 73 8.580 11.085 5.638 1.00 0.00 O ATOM 0 H GLY A 73 9.894 8.449 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.572 9.001 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.800 10.675 4.515 1.00 0.00 H new ATOM 882 N LYS A 74 7.794 9.374 4.427 1.00 0.00 N ATOM 883 CA LYS A 74 6.424 9.579 4.848 1.00 0.00 C ATOM 884 C LYS A 74 6.124 8.748 6.089 1.00 0.00 C ATOM 885 O LYS A 74 6.803 7.760 6.372 1.00 0.00 O ATOM 886 CB LYS A 74 5.462 9.177 3.735 1.00 0.00 C ATOM 887 CG LYS A 74 5.818 9.741 2.368 1.00 0.00 C ATOM 888 CD LYS A 74 5.444 11.206 2.242 1.00 0.00 C ATOM 889 CE LYS A 74 6.605 12.028 1.717 1.00 0.00 C ATOM 890 NZ LYS A 74 7.431 12.589 2.820 1.00 0.00 N ATOM 0 H LYS A 74 7.926 8.609 3.766 1.00 0.00 H new ATOM 0 HA LYS A 74 6.292 10.636 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.433 8.089 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.458 9.507 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.888 9.624 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.306 9.168 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.590 11.309 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.134 11.589 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.230 11.406 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.224 12.841 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.350 13.626 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.096 12.214 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.426 12.320 2.680 1.00 0.00 H new ATOM 904 N SER A 75 5.097 9.153 6.805 1.00 0.00 N ATOM 905 CA SER A 75 4.629 8.432 7.976 1.00 0.00 C ATOM 906 C SER A 75 3.532 7.462 7.557 1.00 0.00 C ATOM 907 O SER A 75 3.096 7.506 6.417 1.00 0.00 O ATOM 908 CB SER A 75 4.112 9.430 9.013 1.00 0.00 C ATOM 909 OG SER A 75 5.127 10.354 9.371 1.00 0.00 O ATOM 0 H SER A 75 4.560 9.994 6.593 1.00 0.00 H new ATOM 0 HA SER A 75 5.445 7.864 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.251 9.965 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.770 8.896 9.900 1.00 0.00 H new ATOM 0 HG SER A 75 4.776 10.985 10.034 1.00 0.00 H new ATOM 915 N LYS A 76 3.082 6.598 8.457 1.00 0.00 N ATOM 916 CA LYS A 76 2.087 5.583 8.102 1.00 0.00 C ATOM 917 C LYS A 76 0.826 6.226 7.532 1.00 0.00 C ATOM 918 O LYS A 76 0.420 5.930 6.407 1.00 0.00 O ATOM 919 CB LYS A 76 1.735 4.713 9.306 1.00 0.00 C ATOM 920 CG LYS A 76 2.607 3.470 9.463 1.00 0.00 C ATOM 921 CD LYS A 76 4.047 3.792 9.841 1.00 0.00 C ATOM 922 CE LYS A 76 4.927 4.032 8.624 1.00 0.00 C ATOM 923 NZ LYS A 76 6.348 4.245 9.006 1.00 0.00 N ATOM 0 H LYS A 76 3.384 6.575 9.431 1.00 0.00 H new ATOM 0 HA LYS A 76 2.528 4.947 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.817 5.316 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.693 4.403 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.173 2.824 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.600 2.909 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.063 4.677 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.458 2.970 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.856 3.179 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.563 4.902 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.917 4.405 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.419 5.074 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.703 3.405 9.505 1.00 0.00 H new ATOM 937 N LYS A 77 0.230 7.126 8.302 1.00 0.00 N ATOM 938 CA LYS A 77 -0.970 7.839 7.873 1.00 0.00 C ATOM 939 C LYS A 77 -0.646 8.758 6.716 1.00 0.00 C ATOM 940 O LYS A 77 -1.477 9.014 5.856 1.00 0.00 O ATOM 941 CB LYS A 77 -1.542 8.640 9.037 1.00 0.00 C ATOM 942 CG LYS A 77 -1.686 7.801 10.282 1.00 0.00 C ATOM 943 CD LYS A 77 -2.532 6.576 10.000 1.00 0.00 C ATOM 944 CE LYS A 77 -2.628 5.663 11.206 1.00 0.00 C ATOM 945 NZ LYS A 77 -1.420 4.808 11.352 1.00 0.00 N ATOM 0 H LYS A 77 0.559 7.382 9.233 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.714 7.113 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.893 9.490 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.515 9.043 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.702 7.497 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.144 8.392 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.533 6.888 9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.105 6.026 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.759 6.263 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.511 5.031 11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.598 4.074 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.202 4.357 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.614 5.394 11.650 1.00 0.00 H new ATOM 959 N GLU A 78 0.581 9.238 6.700 1.00 0.00 N ATOM 960 CA GLU A 78 1.048 10.107 5.632 1.00 0.00 C ATOM 961 C GLU A 78 1.146 9.337 4.316 1.00 0.00 C ATOM 962 O GLU A 78 0.846 9.872 3.252 1.00 0.00 O ATOM 963 CB GLU A 78 2.399 10.704 6.011 1.00 0.00 C ATOM 964 CG GLU A 78 3.019 11.582 4.943 1.00 0.00 C ATOM 965 CD GLU A 78 2.249 12.867 4.732 1.00 0.00 C ATOM 966 OE1 GLU A 78 2.158 13.681 5.672 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.709 13.055 3.620 1.00 0.00 O ATOM 0 H GLU A 78 1.278 9.041 7.418 1.00 0.00 H new ATOM 0 HA GLU A 78 0.331 10.916 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.280 11.291 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.089 9.892 6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.046 11.819 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.063 11.030 4.004 1.00 0.00 H new ATOM 974 N ILE A 79 1.564 8.078 4.397 1.00 0.00 N ATOM 975 CA ILE A 79 1.635 7.224 3.221 1.00 0.00 C ATOM 976 C ILE A 79 0.243 7.003 2.636 1.00 0.00 C ATOM 977 O ILE A 79 0.016 7.241 1.450 1.00 0.00 O ATOM 978 CB ILE A 79 2.307 5.853 3.523 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.809 5.907 3.225 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.655 4.734 2.719 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.698 5.784 4.447 1.00 0.00 C ATOM 0 H ILE A 79 1.858 7.629 5.264 1.00 0.00 H new ATOM 0 HA ILE A 79 2.259 7.741 2.492 1.00 0.00 H new ATOM 0 HB ILE A 79 2.167 5.642 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.057 5.106 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.033 6.848 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.144 3.788 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.598 4.669 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.756 4.945 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.744 5.832 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.483 6.600 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.508 4.831 4.941 1.00 0.00 H new ATOM 993 N VAL A 80 -0.694 6.573 3.476 1.00 0.00 N ATOM 994 CA VAL A 80 -2.051 6.322 3.021 1.00 0.00 C ATOM 995 C VAL A 80 -2.718 7.625 2.582 1.00 0.00 C ATOM 996 O VAL A 80 -3.509 7.645 1.636 1.00 0.00 O ATOM 997 CB VAL A 80 -2.905 5.593 4.091 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.783 6.256 5.448 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.355 5.543 3.666 1.00 0.00 C ATOM 0 H VAL A 80 -0.537 6.393 4.468 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.987 5.655 2.161 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.523 4.576 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.395 5.718 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.741 6.239 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.125 7.289 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.940 5.028 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.733 6.558 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.439 5.007 2.721 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.367 8.714 3.246 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.902 10.022 2.893 1.00 0.00 C ATOM 1011 C ASP A 81 -2.360 10.458 1.536 1.00 0.00 C ATOM 1012 O ASP A 81 -3.072 11.055 0.734 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.558 11.065 3.957 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.233 12.396 3.692 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -2.651 13.230 2.971 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -4.352 12.613 4.207 1.00 0.00 O ATOM 0 H ASP A 81 -1.716 8.720 4.031 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.988 9.942 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.860 10.695 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.478 11.207 3.988 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.101 10.124 1.274 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.486 10.410 -0.018 1.00 0.00 C ATOM 1023 C TYR A 82 -1.186 9.587 -1.087 1.00 0.00 C ATOM 1024 O TYR A 82 -1.427 10.053 -2.205 1.00 0.00 O ATOM 1025 CB TYR A 82 1.007 10.061 -0.010 1.00 0.00 C ATOM 1026 CG TYR A 82 1.803 10.741 -1.108 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.804 10.245 -2.408 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.552 11.880 -0.846 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.527 10.866 -3.410 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.276 12.506 -1.842 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.260 11.995 -3.121 1.00 0.00 C ATOM 1032 OH TYR A 82 3.982 12.617 -4.116 1.00 0.00 O ATOM 0 H TYR A 82 -0.486 9.655 1.939 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.587 11.475 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.430 10.337 0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.118 8.981 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.230 9.360 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.569 12.284 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.517 10.468 -4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.852 13.392 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 82 4.442 13.399 -3.746 1.00 0.00 H new ATOM 1042 N MET A 83 -1.507 8.352 -0.717 1.00 0.00 N ATOM 1043 CA MET A 83 -2.209 7.442 -1.601 1.00 0.00 C ATOM 1044 C MET A 83 -3.541 8.035 -2.025 1.00 0.00 C ATOM 1045 O MET A 83 -3.840 8.090 -3.207 1.00 0.00 O ATOM 1046 CB MET A 83 -2.426 6.082 -0.928 1.00 0.00 C ATOM 1047 CG MET A 83 -1.137 5.320 -0.657 1.00 0.00 C ATOM 1048 SD MET A 83 -1.000 3.801 -1.619 1.00 0.00 S ATOM 1049 CE MET A 83 -1.121 4.431 -3.290 1.00 0.00 C ATOM 0 H MET A 83 -1.288 7.960 0.199 1.00 0.00 H new ATOM 0 HA MET A 83 -1.593 7.291 -2.488 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.953 6.233 0.014 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.072 5.473 -1.560 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.287 5.964 -0.882 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.081 5.078 0.404 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.497 3.830 -3.952 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.157 4.381 -3.624 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.782 5.467 -3.314 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.338 8.498 -1.067 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.643 9.075 -1.394 1.00 0.00 C ATOM 1061 C VAL A 84 -5.484 10.424 -2.085 1.00 0.00 C ATOM 1062 O VAL A 84 -6.308 10.809 -2.912 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.563 9.241 -0.156 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.673 7.942 0.621 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.104 10.381 0.742 1.00 0.00 C ATOM 0 H VAL A 84 -4.111 8.487 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.121 8.365 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.556 9.499 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.324 8.088 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.091 7.168 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.683 7.636 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.775 10.463 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.091 10.182 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.116 11.315 0.180 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.417 11.133 -1.742 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.160 12.452 -2.294 1.00 0.00 C ATOM 1077 C ALA A 85 -3.979 12.393 -3.810 1.00 0.00 C ATOM 1078 O ALA A 85 -4.481 13.248 -4.541 1.00 0.00 O ATOM 1079 CB ALA A 85 -2.935 13.065 -1.633 1.00 0.00 C ATOM 0 H ALA A 85 -3.712 10.812 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.026 13.082 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.751 14.054 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.106 13.153 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.069 12.428 -1.811 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.236 11.400 -4.277 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.012 11.226 -5.708 1.00 0.00 C ATOM 1087 C ARG A 86 -3.936 10.162 -6.293 1.00 0.00 C ATOM 1088 O ARG A 86 -4.667 10.414 -7.252 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.553 10.851 -5.982 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.741 11.952 -6.656 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.426 13.109 -5.717 1.00 0.00 C ATOM 1092 NE ARG A 86 -1.615 13.881 -5.354 1.00 0.00 N ATOM 1093 CZ ARG A 86 -1.595 15.171 -5.020 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.461 15.860 -5.062 1.00 0.00 N ATOM 1095 NH2 ARG A 86 -2.718 15.783 -4.665 1.00 0.00 N ATOM 0 H ARG A 86 -2.778 10.703 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.236 12.177 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.074 10.587 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.530 9.961 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.191 11.531 -7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.292 12.329 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.040 12.720 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.300 13.769 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.515 13.402 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.403 15.402 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.454 16.847 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.597 15.266 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.702 16.770 -4.409 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.916 8.990 -5.682 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.601 7.814 -6.205 1.00 0.00 C ATOM 1111 C TYR A 87 -5.980 7.657 -5.574 1.00 0.00 C ATOM 1112 O TYR A 87 -6.459 6.543 -5.385 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.761 6.565 -5.914 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.334 6.643 -6.418 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.022 6.344 -7.738 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.296 7.015 -5.566 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.719 6.414 -8.197 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.011 7.086 -6.018 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.292 6.786 -7.334 1.00 0.00 C ATOM 1120 OH TYR A 87 1.588 6.853 -7.786 1.00 0.00 O ATOM 0 H TYR A 87 -3.423 8.824 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.728 7.938 -7.280 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.745 6.395 -4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.247 5.701 -6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.809 6.052 -8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.515 7.252 -4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.494 6.179 -9.227 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.805 7.374 -5.344 1.00 0.00 H new ATOM 0 HH TYR A 87 1.979 7.715 -7.532 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.631 8.770 -5.280 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.871 8.720 -4.526 1.00 0.00 C ATOM 1132 C GLY A 88 -9.051 8.170 -5.309 1.00 0.00 C ATOM 1133 O GLY A 88 -10.152 8.056 -4.769 1.00 0.00 O ATOM 0 H GLY A 88 -6.327 9.706 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.720 8.106 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.114 9.725 -4.181 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.834 7.830 -6.570 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.871 7.193 -7.376 1.00 0.00 C ATOM 1139 C ASN A 89 -9.670 5.686 -7.396 1.00 0.00 C ATOM 1140 O ASN A 89 -10.479 4.943 -7.954 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.870 7.745 -8.802 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.442 9.147 -8.885 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -11.350 9.505 -8.136 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -9.909 9.951 -9.788 1.00 0.00 N ATOM 0 H ASN A 89 -7.952 7.983 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.838 7.415 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.850 7.750 -9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.449 7.082 -9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.249 10.908 -9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.157 9.615 -10.390 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.580 5.244 -6.789 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.274 3.823 -6.696 1.00 0.00 C ATOM 1153 C PHE A 90 -8.127 3.403 -5.239 1.00 0.00 C ATOM 1154 O PHE A 90 -8.261 2.227 -4.900 1.00 0.00 O ATOM 1155 CB PHE A 90 -6.983 3.502 -7.454 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.028 3.865 -8.912 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.678 3.047 -9.825 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.424 5.026 -9.371 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -7.721 3.380 -11.165 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.465 5.363 -10.710 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.114 4.539 -11.608 1.00 0.00 C ATOM 0 H PHE A 90 -7.888 5.852 -6.351 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.098 3.269 -7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.155 4.032 -6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.774 2.436 -7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.155 2.140 -9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.915 5.675 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.229 2.734 -11.866 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.990 6.270 -11.054 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.147 4.800 -12.655 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.846 4.374 -4.380 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.609 4.109 -2.971 1.00 0.00 C ATOM 1173 C VAL A 91 -8.564 4.936 -2.106 1.00 0.00 C ATOM 1174 O VAL A 91 -9.247 5.834 -2.607 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.147 4.444 -2.575 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.199 4.276 -3.752 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.039 5.855 -2.044 1.00 0.00 C ATOM 0 H VAL A 91 -7.777 5.358 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.785 3.047 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.861 3.742 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.184 4.519 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.234 3.245 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.499 4.944 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.004 6.064 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.363 6.558 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.672 5.962 -1.163 1.00 0.00 H new ATOM 1187 N THR A 92 -8.614 4.633 -0.817 1.00 0.00 N ATOM 1188 CA THR A 92 -9.393 5.419 0.126 1.00 0.00 C ATOM 1189 C THR A 92 -8.764 5.350 1.516 1.00 0.00 C ATOM 1190 O THR A 92 -8.092 4.376 1.845 1.00 0.00 O ATOM 1191 CB THR A 92 -10.856 4.906 0.204 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.412 4.803 -1.113 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.724 5.833 1.043 1.00 0.00 C ATOM 0 H THR A 92 -8.121 3.844 -0.399 1.00 0.00 H new ATOM 0 HA THR A 92 -9.399 6.451 -0.225 1.00 0.00 H new ATOM 0 HB THR A 92 -10.838 3.924 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.334 4.477 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.742 5.446 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.323 5.890 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.729 6.828 0.598 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.939 6.390 2.318 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.567 6.309 3.717 1.00 0.00 C ATOM 1203 C TYR A 93 -9.818 6.394 4.579 1.00 0.00 C ATOM 1204 O TYR A 93 -10.404 7.461 4.758 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.560 7.394 4.114 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.151 7.290 5.568 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.869 6.050 6.131 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.059 8.413 6.379 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.511 5.932 7.457 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.696 8.302 7.708 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.426 7.058 8.241 1.00 0.00 C ATOM 1212 OH TYR A 93 -6.078 6.935 9.567 1.00 0.00 O ATOM 0 H TYR A 93 -9.330 7.286 2.027 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.074 5.351 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.675 7.314 3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.995 8.376 3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.932 5.163 5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.274 9.387 5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.298 4.960 7.878 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.624 9.185 8.326 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.061 7.822 9.984 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.200 5.248 5.107 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.417 5.096 5.890 1.00 0.00 C ATOM 1224 C ASP A 94 -11.273 3.848 6.744 1.00 0.00 C ATOM 1225 O ASP A 94 -10.416 3.009 6.457 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.634 4.943 4.966 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.617 6.097 5.060 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -14.471 6.090 5.971 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.519 7.041 4.244 1.00 0.00 O ATOM 0 H ASP A 94 -9.669 4.383 5.005 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.567 5.977 6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.289 4.854 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.151 4.015 5.211 1.00 0.00 H new ATOM 1234 N PRO A 95 -12.065 3.708 7.813 1.00 0.00 N ATOM 1235 CA PRO A 95 -12.131 2.458 8.567 1.00 0.00 C ATOM 1236 C PRO A 95 -12.512 1.304 7.642 1.00 0.00 C ATOM 1237 O PRO A 95 -13.484 1.397 6.890 1.00 0.00 O ATOM 1238 CB PRO A 95 -13.228 2.708 9.613 1.00 0.00 C ATOM 1239 CG PRO A 95 -13.955 3.923 9.140 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.952 4.734 8.371 1.00 0.00 C ATOM 0 HA PRO A 95 -11.179 2.186 9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.900 1.853 9.690 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.799 2.867 10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.801 3.650 8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.353 4.491 9.981 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.426 5.328 7.589 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.413 5.428 9.016 1.00 0.00 H new