USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 745 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 32 TYR OH : rot 150:sc= 1.09 USER MOD Set 1.2: A 106 SER OG : rot 150:sc= 0.481 USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN :FLIP amide:sc= 0 X(o=-1.2,f=-0.72) USER MOD Set 2.3: A 84 ASN : amide:sc= -0.72 X(o=-0.72,f=-1.2) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc=-0.00964 X(o=-0.0096,f=-0.45) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 17 SER OG : rot 180:sc= -0.437 USER MOD Single : A 21 SER OG : rot -125:sc= 0.542! USER MOD Single : A 34 MET CE :methyl 156:sc= -2.39! (180deg=-4.76!) USER MOD Single : A 39 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.752! USER MOD Single : A 52 ASN : amide:sc= -0.535 X(o=-0.53,f=-0.094) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00955 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -44:sc= 0.00395 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 74 ASN : amide:sc= -0.0517 X(o=-0.052,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= -0.0434 (180deg=-0.687) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -117:sc= -1.53 (180deg=-5.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 173:sc= -1.29 USER MOD Single : A 94 TYR OH : rot 50:sc= -0.515 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.9) USER MOD Single : A 111 THR OG1 : rot 130:sc= -1.01 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.556 F(o=-2.7,f=-0.56) USER MOD Single : A 114 THR OG1 : rot -150:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.438 10.659 -1.139 1.00 0.00 N ATOM 37 CA GLN A 3 9.066 11.096 -1.367 1.00 0.00 C ATOM 38 C GLN A 3 8.222 9.956 -1.927 1.00 0.00 C ATOM 39 O GLN A 3 8.683 9.185 -2.768 1.00 0.00 O ATOM 40 CB GLN A 3 9.038 12.286 -2.327 1.00 0.00 C ATOM 41 CG GLN A 3 9.772 12.032 -3.633 1.00 0.00 C ATOM 42 CD GLN A 3 10.777 13.120 -3.959 1.00 0.00 C ATOM 43 OE1 GLN A 3 11.978 12.958 -3.741 1.00 0.00 O ATOM 44 NE2 GLN A 3 10.289 14.238 -4.485 1.00 0.00 N ATOM 0 HA GLN A 3 8.644 11.403 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.001 12.541 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.481 13.151 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.287 11.073 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.048 11.957 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.286 14.329 -4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.917 15.005 -4.725 1.00 0.00 H new ATOM 53 N LEU A 4 6.986 9.852 -1.451 1.00 0.00 N ATOM 54 CA LEU A 4 6.080 8.802 -1.902 1.00 0.00 C ATOM 55 C LEU A 4 4.886 9.389 -2.649 1.00 0.00 C ATOM 56 O LEU A 4 4.330 10.410 -2.245 1.00 0.00 O ATOM 57 CB LEU A 4 5.595 7.973 -0.710 1.00 0.00 C ATOM 58 CG LEU A 4 6.663 7.092 -0.056 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.210 7.754 1.201 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.096 5.717 0.267 1.00 0.00 C ATOM 0 H LEU A 4 6.589 10.481 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 4 6.628 8.156 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.192 8.650 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.773 7.337 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 4 7.484 6.969 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.967 7.112 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.656 8.714 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.399 7.911 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.869 5.105 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.256 5.822 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.757 5.238 -0.652 1.00 0.00 H new ATOM 72 N GLN A 5 4.498 8.734 -3.739 1.00 0.00 N ATOM 73 CA GLN A 5 3.368 9.187 -4.545 1.00 0.00 C ATOM 74 C GLN A 5 2.601 7.997 -5.114 1.00 0.00 C ATOM 75 O GLN A 5 3.199 7.055 -5.631 1.00 0.00 O ATOM 76 CB GLN A 5 3.854 10.088 -5.682 1.00 0.00 C ATOM 77 CG GLN A 5 4.904 11.100 -5.251 1.00 0.00 C ATOM 78 CD GLN A 5 4.885 12.357 -6.098 1.00 0.00 C ATOM 79 OE1 GLN A 5 4.425 12.344 -7.240 1.00 0.00 O ATOM 80 NE2 GLN A 5 5.388 13.453 -5.541 1.00 0.00 N ATOM 0 H GLN A 5 4.949 7.887 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 5 2.697 9.758 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.266 9.466 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.001 10.619 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.739 11.367 -4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.891 10.641 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.759 13.418 -4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.403 14.329 -6.063 1.00 0.00 H new ATOM 89 N GLU A 6 1.275 8.046 -5.016 1.00 0.00 N ATOM 90 CA GLU A 6 0.428 6.966 -5.522 1.00 0.00 C ATOM 91 C GLU A 6 -0.040 7.262 -6.943 1.00 0.00 C ATOM 92 O GLU A 6 0.031 8.400 -7.407 1.00 0.00 O ATOM 93 CB GLU A 6 -0.793 6.736 -4.613 1.00 0.00 C ATOM 94 CG GLU A 6 -0.820 7.595 -3.355 1.00 0.00 C ATOM 95 CD GLU A 6 0.346 7.313 -2.429 1.00 0.00 C ATOM 96 OE1 GLU A 6 0.290 6.306 -1.694 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.315 8.102 -2.437 1.00 0.00 O ATOM 0 H GLU A 6 0.763 8.820 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 6 1.032 6.059 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.699 6.929 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.819 5.686 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.807 8.647 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.754 7.420 -2.820 1.00 0.00 H new ATOM 104 N SER A 7 -0.522 6.229 -7.630 1.00 0.00 N ATOM 105 CA SER A 7 -1.003 6.382 -8.998 1.00 0.00 C ATOM 106 C SER A 7 -1.853 5.185 -9.416 1.00 0.00 C ATOM 107 O SER A 7 -1.374 4.051 -9.446 1.00 0.00 O ATOM 108 CB SER A 7 0.174 6.547 -9.960 1.00 0.00 C ATOM 109 OG SER A 7 -0.266 6.576 -11.307 1.00 0.00 O ATOM 0 H SER A 7 -0.589 5.280 -7.262 1.00 0.00 H new ATOM 0 HA SER A 7 -1.625 7.277 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.709 7.468 -9.729 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.878 5.726 -9.822 1.00 0.00 H new ATOM 0 HG SER A 7 0.506 6.684 -11.901 1.00 0.00 H new ATOM 115 N GLY A 8 -3.115 5.448 -9.741 1.00 0.00 N ATOM 116 CA GLY A 8 -4.012 4.384 -10.157 1.00 0.00 C ATOM 117 C GLY A 8 -5.224 4.253 -9.254 1.00 0.00 C ATOM 118 O GLY A 8 -6.328 3.976 -9.723 1.00 0.00 O ATOM 0 H GLY A 8 -3.533 6.378 -9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.344 4.572 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.468 3.439 -10.168 1.00 0.00 H new ATOM 122 N GLY A 9 -5.018 4.448 -7.954 1.00 0.00 N ATOM 123 CA GLY A 9 -6.103 4.342 -7.002 1.00 0.00 C ATOM 124 C GLY A 9 -7.331 5.128 -7.411 1.00 0.00 C ATOM 125 O GLY A 9 -7.229 6.250 -7.906 1.00 0.00 O ATOM 0 H GLY A 9 -4.113 4.679 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.373 3.293 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.761 4.695 -6.029 1.00 0.00 H new ATOM 129 N GLY A 10 -8.491 4.528 -7.196 1.00 0.00 N ATOM 130 CA GLY A 10 -9.742 5.172 -7.540 1.00 0.00 C ATOM 131 C GLY A 10 -10.945 4.317 -7.198 1.00 0.00 C ATOM 132 O GLY A 10 -10.835 3.344 -6.451 1.00 0.00 O ATOM 0 H GLY A 10 -8.589 3.599 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.814 6.124 -7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.751 5.397 -8.607 1.00 0.00 H new ATOM 136 N LEU A 11 -12.097 4.690 -7.738 1.00 0.00 N ATOM 137 CA LEU A 11 -13.332 3.972 -7.489 1.00 0.00 C ATOM 138 C LEU A 11 -13.324 2.597 -8.147 1.00 0.00 C ATOM 139 O LEU A 11 -12.713 2.403 -9.198 1.00 0.00 O ATOM 140 CB LEU A 11 -14.513 4.788 -7.999 1.00 0.00 C ATOM 141 CG LEU A 11 -14.532 6.222 -7.484 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.175 7.198 -8.594 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.887 6.563 -6.882 1.00 0.00 C ATOM 0 H LEU A 11 -12.198 5.494 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.426 3.824 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.490 4.803 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.439 4.293 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.781 6.310 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.195 8.216 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.177 6.973 -8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.897 7.106 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.876 7.591 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.661 6.453 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.096 5.889 -6.051 1.00 0.00 H new ATOM 155 N VAL A 12 -14.010 1.645 -7.523 1.00 0.00 N ATOM 156 CA VAL A 12 -14.085 0.287 -8.048 1.00 0.00 C ATOM 157 C VAL A 12 -15.119 -0.539 -7.288 1.00 0.00 C ATOM 158 O VAL A 12 -14.898 -0.928 -6.141 1.00 0.00 O ATOM 159 CB VAL A 12 -12.719 -0.419 -7.976 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.217 -0.473 -6.542 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.802 -1.816 -8.575 1.00 0.00 C ATOM 0 H VAL A 12 -14.522 1.789 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.387 0.366 -9.092 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.005 0.158 -8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.250 -0.976 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.110 0.541 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.930 -1.022 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.826 -2.297 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.533 -2.406 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.107 -1.747 -9.619 1.00 0.00 H new ATOM 171 N GLN A 13 -16.250 -0.800 -7.936 1.00 0.00 N ATOM 172 CA GLN A 13 -17.320 -1.573 -7.334 1.00 0.00 C ATOM 173 C GLN A 13 -16.828 -2.947 -6.884 1.00 0.00 C ATOM 174 O GLN A 13 -15.800 -3.436 -7.355 1.00 0.00 O ATOM 175 CB GLN A 13 -18.470 -1.715 -8.333 1.00 0.00 C ATOM 176 CG GLN A 13 -18.251 -2.793 -9.385 1.00 0.00 C ATOM 177 CD GLN A 13 -19.432 -2.938 -10.325 1.00 0.00 C ATOM 178 OE1 GLN A 13 -20.137 -1.969 -10.609 1.00 0.00 O ATOM 179 NE2 GLN A 13 -19.655 -4.153 -10.813 1.00 0.00 N ATOM 0 H GLN A 13 -16.446 -0.483 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.673 -1.046 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.386 -1.937 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.622 -0.759 -8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.358 -2.555 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.066 -3.746 -8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.045 -4.928 -10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.436 -4.311 -11.450 1.00 0.00 H new ATOM 188 N ALA A 14 -17.570 -3.562 -5.969 1.00 0.00 N ATOM 189 CA ALA A 14 -17.220 -4.873 -5.450 1.00 0.00 C ATOM 190 C ALA A 14 -16.962 -5.865 -6.579 1.00 0.00 C ATOM 191 O ALA A 14 -17.487 -5.716 -7.683 1.00 0.00 O ATOM 192 CB ALA A 14 -18.321 -5.383 -4.533 1.00 0.00 C ATOM 0 H ALA A 14 -18.423 -3.168 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.298 -4.776 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.049 -6.366 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.450 -4.692 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.254 -5.457 -5.091 1.00 0.00 H new ATOM 198 N GLY A 15 -16.148 -6.872 -6.295 1.00 0.00 N ATOM 199 CA GLY A 15 -15.829 -7.874 -7.295 1.00 0.00 C ATOM 200 C GLY A 15 -14.922 -7.340 -8.389 1.00 0.00 C ATOM 201 O GLY A 15 -14.695 -8.012 -9.395 1.00 0.00 O ATOM 0 H GLY A 15 -15.702 -7.014 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.347 -8.724 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.752 -8.243 -7.742 1.00 0.00 H new ATOM 205 N GLY A 16 -14.400 -6.132 -8.195 1.00 0.00 N ATOM 206 CA GLY A 16 -13.519 -5.537 -9.182 1.00 0.00 C ATOM 207 C GLY A 16 -12.115 -5.328 -8.651 1.00 0.00 C ATOM 208 O GLY A 16 -11.901 -4.524 -7.744 1.00 0.00 O ATOM 0 H GLY A 16 -14.572 -5.555 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.480 -6.177 -10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.930 -4.579 -9.502 1.00 0.00 H new ATOM 212 N SER A 17 -11.157 -6.057 -9.214 1.00 0.00 N ATOM 213 CA SER A 17 -9.770 -5.953 -8.792 1.00 0.00 C ATOM 214 C SER A 17 -9.168 -4.614 -9.205 1.00 0.00 C ATOM 215 O SER A 17 -9.363 -4.155 -10.330 1.00 0.00 O ATOM 216 CB SER A 17 -8.962 -7.096 -9.390 1.00 0.00 C ATOM 217 OG SER A 17 -9.635 -8.334 -9.239 1.00 0.00 O ATOM 0 H SER A 17 -11.319 -6.727 -9.966 1.00 0.00 H new ATOM 0 HA SER A 17 -9.737 -6.016 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.783 -6.903 -10.448 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.987 -7.148 -8.906 1.00 0.00 H new ATOM 0 HG SER A 17 -9.095 -9.050 -9.633 1.00 0.00 H new ATOM 223 N LEU A 18 -8.434 -3.993 -8.287 1.00 0.00 N ATOM 224 CA LEU A 18 -7.802 -2.710 -8.553 1.00 0.00 C ATOM 225 C LEU A 18 -6.349 -2.720 -8.091 1.00 0.00 C ATOM 226 O LEU A 18 -6.047 -3.135 -6.972 1.00 0.00 O ATOM 227 CB LEU A 18 -8.566 -1.586 -7.854 1.00 0.00 C ATOM 228 CG LEU A 18 -7.972 -0.193 -8.045 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.574 0.480 -9.269 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.193 0.658 -6.804 1.00 0.00 C ATOM 0 H LEU A 18 -8.263 -4.360 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.823 -2.535 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.593 -1.581 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.609 -1.804 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.898 -0.296 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.139 1.472 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.362 -0.119 -10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.653 0.570 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.763 1.647 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.262 0.753 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.713 0.184 -5.948 1.00 0.00 H new ATOM 242 N ARG A 19 -5.453 -2.267 -8.960 1.00 0.00 N ATOM 243 CA ARG A 19 -4.031 -2.231 -8.641 1.00 0.00 C ATOM 244 C ARG A 19 -3.553 -0.800 -8.417 1.00 0.00 C ATOM 245 O ARG A 19 -3.791 0.081 -9.243 1.00 0.00 O ATOM 246 CB ARG A 19 -3.220 -2.876 -9.765 1.00 0.00 C ATOM 247 CG ARG A 19 -1.743 -3.033 -9.437 1.00 0.00 C ATOM 248 CD ARG A 19 -0.885 -2.085 -10.259 1.00 0.00 C ATOM 249 NE ARG A 19 -0.803 -2.496 -11.658 1.00 0.00 N ATOM 250 CZ ARG A 19 -0.011 -3.471 -12.098 1.00 0.00 C ATOM 251 NH1 ARG A 19 0.765 -4.138 -11.253 1.00 0.00 N ATOM 252 NH2 ARG A 19 0.003 -3.782 -13.387 1.00 0.00 N ATOM 0 H ARG A 19 -5.686 -1.920 -9.890 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.881 -2.793 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.640 -3.857 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.321 -2.273 -10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.583 -2.843 -8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.435 -4.061 -9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.299 -1.078 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.118 -2.043 -9.834 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.386 -2.008 -12.337 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.757 -3.905 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.370 -4.884 -11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.593 -3.274 -14.041 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.610 -4.529 -13.725 1.00 0.00 H new ATOM 266 N LEU A 20 -2.866 -0.580 -7.302 1.00 0.00 N ATOM 267 CA LEU A 20 -2.341 0.737 -6.976 1.00 0.00 C ATOM 268 C LEU A 20 -0.820 0.715 -7.000 1.00 0.00 C ATOM 269 O LEU A 20 -0.197 -0.286 -6.640 1.00 0.00 O ATOM 270 CB LEU A 20 -2.832 1.197 -5.602 1.00 0.00 C ATOM 271 CG LEU A 20 -4.240 0.737 -5.221 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.613 1.264 -3.844 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.250 1.193 -6.265 1.00 0.00 C ATOM 0 H LEU A 20 -2.660 -1.299 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.703 1.441 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.134 0.837 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.803 2.286 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.254 -0.352 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.618 0.929 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.904 0.888 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.585 2.354 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.247 0.857 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.239 2.281 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.989 0.768 -7.234 1.00 0.00 H new ATOM 285 N SER A 21 -0.229 1.817 -7.435 1.00 0.00 N ATOM 286 CA SER A 21 1.219 1.923 -7.520 1.00 0.00 C ATOM 287 C SER A 21 1.732 3.159 -6.792 1.00 0.00 C ATOM 288 O SER A 21 1.395 4.287 -7.152 1.00 0.00 O ATOM 289 CB SER A 21 1.654 1.974 -8.983 1.00 0.00 C ATOM 290 OG SER A 21 0.892 1.079 -9.774 1.00 0.00 O ATOM 0 H SER A 21 -0.731 2.652 -7.735 1.00 0.00 H new ATOM 0 HA SER A 21 1.646 1.043 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.540 2.989 -9.364 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.712 1.722 -9.060 1.00 0.00 H new ATOM 0 HG SER A 21 1.494 0.472 -10.253 1.00 0.00 H new ATOM 296 N CYS A 22 2.563 2.942 -5.779 1.00 0.00 N ATOM 297 CA CYS A 22 3.137 4.044 -5.020 1.00 0.00 C ATOM 298 C CYS A 22 4.658 3.944 -5.008 1.00 0.00 C ATOM 299 O CYS A 22 5.225 2.941 -4.569 1.00 0.00 O ATOM 300 CB CYS A 22 2.590 4.074 -3.589 1.00 0.00 C ATOM 301 SG CYS A 22 2.790 2.514 -2.672 1.00 0.00 S ATOM 0 H CYS A 22 2.853 2.016 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 22 2.851 4.976 -5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.090 4.871 -3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.530 4.327 -3.624 1.00 0.00 H new ATOM 306 N ALA A 23 5.311 4.986 -5.510 1.00 0.00 N ATOM 307 CA ALA A 23 6.766 5.021 -5.573 1.00 0.00 C ATOM 308 C ALA A 23 7.362 5.612 -4.302 1.00 0.00 C ATOM 309 O ALA A 23 6.643 6.129 -3.448 1.00 0.00 O ATOM 310 CB ALA A 23 7.220 5.815 -6.788 1.00 0.00 C ATOM 0 H ALA A 23 4.854 5.819 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 23 7.124 3.995 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.309 5.834 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.835 5.346 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.842 6.835 -6.718 1.00 0.00 H new ATOM 316 N ALA A 24 8.683 5.531 -4.186 1.00 0.00 N ATOM 317 CA ALA A 24 9.386 6.056 -3.023 1.00 0.00 C ATOM 318 C ALA A 24 10.836 6.380 -3.366 1.00 0.00 C ATOM 319 O ALA A 24 11.764 5.892 -2.720 1.00 0.00 O ATOM 320 CB ALA A 24 9.319 5.060 -1.875 1.00 0.00 C ATOM 0 H ALA A 24 9.290 5.105 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 24 8.897 6.980 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.848 5.464 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.277 4.879 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.784 4.122 -2.179 1.00 0.00 H new ATOM 414 N TYR A 32 14.298 0.637 4.384 1.00 0.00 N ATOM 415 CA TYR A 32 13.192 1.520 4.041 1.00 0.00 C ATOM 416 C TYR A 32 12.001 0.727 3.512 1.00 0.00 C ATOM 417 O TYR A 32 11.620 0.860 2.349 1.00 0.00 O ATOM 418 CB TYR A 32 13.642 2.541 2.995 1.00 0.00 C ATOM 419 CG TYR A 32 12.937 3.874 3.094 1.00 0.00 C ATOM 420 CD1 TYR A 32 12.883 4.564 4.298 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.331 4.445 1.983 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.243 5.785 4.392 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.690 5.666 2.068 1.00 0.00 C ATOM 424 CZ TYR A 32 11.649 6.332 3.274 1.00 0.00 C ATOM 425 OH TYR A 32 11.013 7.548 3.363 1.00 0.00 O ATOM 0 HA TYR A 32 12.881 2.042 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.715 2.701 3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.474 2.126 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.349 4.139 5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.361 3.926 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.208 6.308 5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.224 6.096 1.194 1.00 0.00 H new ATOM 0 HH TYR A 32 11.072 8.012 2.502 1.00 0.00 H new ATOM 435 N ASP A 33 11.412 -0.097 4.374 1.00 0.00 N ATOM 436 CA ASP A 33 10.261 -0.910 3.991 1.00 0.00 C ATOM 437 C ASP A 33 9.209 -0.062 3.282 1.00 0.00 C ATOM 438 O ASP A 33 9.243 1.166 3.347 1.00 0.00 O ATOM 439 CB ASP A 33 9.648 -1.577 5.224 1.00 0.00 C ATOM 440 CG ASP A 33 10.686 -2.272 6.083 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.771 -2.598 5.556 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.415 -2.490 7.282 1.00 0.00 O ATOM 0 H ASP A 33 11.712 -0.220 5.341 1.00 0.00 H new ATOM 0 HA ASP A 33 10.605 -1.682 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.131 -0.825 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.899 -2.302 4.906 1.00 0.00 H new ATOM 447 N MET A 34 8.277 -0.724 2.605 1.00 0.00 N ATOM 448 CA MET A 34 7.219 -0.026 1.885 1.00 0.00 C ATOM 449 C MET A 34 5.918 -0.819 1.931 1.00 0.00 C ATOM 450 O MET A 34 5.884 -1.996 1.572 1.00 0.00 O ATOM 451 CB MET A 34 7.635 0.217 0.433 1.00 0.00 C ATOM 452 CG MET A 34 8.066 1.648 0.157 1.00 0.00 C ATOM 453 SD MET A 34 7.550 2.226 -1.470 1.00 0.00 S ATOM 454 CE MET A 34 8.763 1.424 -2.515 1.00 0.00 C ATOM 0 H MET A 34 8.233 -1.741 2.540 1.00 0.00 H new ATOM 0 HA MET A 34 7.054 0.935 2.371 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.455 -0.456 0.181 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.802 -0.036 -0.223 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.647 2.303 0.921 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.151 1.718 0.236 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.361 1.317 -3.523 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.670 2.027 -2.548 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.997 0.439 -2.111 1.00 0.00 H new ATOM 464 N GLY A 35 4.849 -0.168 2.376 1.00 0.00 N ATOM 465 CA GLY A 35 3.564 -0.835 2.460 1.00 0.00 C ATOM 466 C GLY A 35 2.398 0.129 2.412 1.00 0.00 C ATOM 467 O GLY A 35 2.535 1.301 2.763 1.00 0.00 O ATOM 0 H GLY A 35 4.849 0.806 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.475 -1.547 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.517 -1.409 3.386 1.00 0.00 H new ATOM 471 N TRP A 36 1.245 -0.367 1.976 1.00 0.00 N ATOM 472 CA TRP A 36 0.050 0.450 1.884 1.00 0.00 C ATOM 473 C TRP A 36 -0.674 0.510 3.220 1.00 0.00 C ATOM 474 O TRP A 36 -0.565 -0.399 4.043 1.00 0.00 O ATOM 475 CB TRP A 36 -0.880 -0.105 0.817 1.00 0.00 C ATOM 476 CG TRP A 36 -0.324 -0.011 -0.571 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.565 -0.865 -1.157 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.622 0.994 -1.546 1.00 0.00 C ATOM 479 NE1 TRP A 36 0.838 -0.452 -2.439 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.122 0.687 -2.701 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.446 2.123 -1.555 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.066 1.468 -3.852 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.502 2.898 -2.698 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.750 2.568 -3.833 1.00 0.00 C ATOM 0 H TRP A 36 1.117 -1.335 1.681 1.00 0.00 H new ATOM 0 HA TRP A 36 0.350 1.462 1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.096 -1.149 1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.827 0.433 0.857 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.991 -1.737 -0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.471 -0.917 -3.090 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.029 2.385 -0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.645 1.216 -4.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.136 3.772 -2.716 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.815 3.194 -4.711 1.00 0.00 H new ATOM 495 N PHE A 37 -1.408 1.592 3.426 1.00 0.00 N ATOM 496 CA PHE A 37 -2.150 1.795 4.652 1.00 0.00 C ATOM 497 C PHE A 37 -3.573 2.248 4.343 1.00 0.00 C ATOM 498 O PHE A 37 -3.966 2.343 3.180 1.00 0.00 O ATOM 499 CB PHE A 37 -1.451 2.855 5.498 1.00 0.00 C ATOM 500 CG PHE A 37 -0.376 2.319 6.401 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.757 1.720 5.874 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.494 2.428 7.777 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.752 1.237 6.704 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.498 1.948 8.612 1.00 0.00 C ATOM 505 CZ PHE A 37 1.623 1.352 8.075 1.00 0.00 C ATOM 0 H PHE A 37 -1.504 2.349 2.749 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.192 0.853 5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.013 3.601 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.197 3.367 6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.864 1.629 4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.371 2.893 8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.629 0.770 6.281 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.394 2.039 9.683 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.400 0.977 8.725 1.00 0.00 H new ATOM 515 N ARG A 38 -4.334 2.540 5.389 1.00 0.00 N ATOM 516 CA ARG A 38 -5.709 2.998 5.232 1.00 0.00 C ATOM 517 C ARG A 38 -6.077 3.984 6.335 1.00 0.00 C ATOM 518 O ARG A 38 -5.470 3.984 7.407 1.00 0.00 O ATOM 519 CB ARG A 38 -6.693 1.826 5.237 1.00 0.00 C ATOM 520 CG ARG A 38 -6.056 0.455 5.048 1.00 0.00 C ATOM 521 CD ARG A 38 -6.857 -0.641 5.738 1.00 0.00 C ATOM 522 NE ARG A 38 -8.292 -0.359 5.750 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.105 -0.599 4.723 1.00 0.00 C ATOM 524 NH1 ARG A 38 -8.628 -1.115 3.597 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.397 -0.320 4.822 1.00 0.00 N ATOM 0 H ARG A 38 -4.022 2.468 6.357 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.777 3.499 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.237 1.831 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.426 1.982 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.979 0.234 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.041 0.468 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.680 -1.590 5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.503 -0.756 6.763 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.694 0.046 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.634 -1.330 3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.255 -1.297 2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.768 0.078 5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.020 -0.504 4.036 1.00 0.00 H new ATOM 539 N GLN A 39 -7.073 4.824 6.069 1.00 0.00 N ATOM 540 CA GLN A 39 -7.514 5.813 7.045 1.00 0.00 C ATOM 541 C GLN A 39 -8.976 6.191 6.823 1.00 0.00 C ATOM 542 O GLN A 39 -9.318 6.832 5.829 1.00 0.00 O ATOM 543 CB GLN A 39 -6.631 7.062 6.967 1.00 0.00 C ATOM 544 CG GLN A 39 -5.924 7.389 8.272 1.00 0.00 C ATOM 545 CD GLN A 39 -6.883 7.823 9.363 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.071 8.030 9.114 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.371 7.966 10.580 1.00 0.00 N ATOM 0 H GLN A 39 -7.588 4.839 5.189 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.424 5.372 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.885 6.921 6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.245 7.913 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.369 6.514 8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.196 8.181 8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.380 7.784 10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.968 8.258 11.353 1.00 0.00 H new ATOM 556 N ALA A 40 -9.832 5.795 7.759 1.00 0.00 N ATOM 557 CA ALA A 40 -11.256 6.097 7.672 1.00 0.00 C ATOM 558 C ALA A 40 -11.600 7.321 8.516 1.00 0.00 C ATOM 559 O ALA A 40 -10.842 7.699 9.409 1.00 0.00 O ATOM 560 CB ALA A 40 -12.079 4.897 8.116 1.00 0.00 C ATOM 0 H ALA A 40 -9.564 5.264 8.587 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.497 6.320 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.140 5.137 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.856 4.045 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.831 4.647 9.148 1.00 0.00 H new ATOM 566 N PRO A 41 -12.749 7.962 8.246 1.00 0.00 N ATOM 567 CA PRO A 41 -13.177 9.149 8.991 1.00 0.00 C ATOM 568 C PRO A 41 -13.570 8.822 10.420 1.00 0.00 C ATOM 569 O PRO A 41 -14.230 7.817 10.683 1.00 0.00 O ATOM 570 CB PRO A 41 -14.379 9.660 8.195 1.00 0.00 C ATOM 571 CG PRO A 41 -14.909 8.456 7.495 1.00 0.00 C ATOM 572 CD PRO A 41 -13.716 7.587 7.197 1.00 0.00 C ATOM 0 HA PRO A 41 -12.377 9.884 9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.130 10.099 8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.084 10.433 7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.630 7.928 8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.427 8.735 6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.969 6.528 7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.320 7.776 6.199 1.00 0.00 H new ATOM 580 N GLY A 42 -13.132 9.669 11.345 1.00 0.00 N ATOM 581 CA GLY A 42 -13.419 9.443 12.744 1.00 0.00 C ATOM 582 C GLY A 42 -12.667 8.240 13.283 1.00 0.00 C ATOM 583 O GLY A 42 -12.825 7.872 14.447 1.00 0.00 O ATOM 0 H GLY A 42 -12.584 10.507 11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.149 10.329 13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.490 9.292 12.876 1.00 0.00 H new ATOM 587 N LYS A 43 -11.853 7.619 12.427 1.00 0.00 N ATOM 588 CA LYS A 43 -11.086 6.449 12.811 1.00 0.00 C ATOM 589 C LYS A 43 -9.588 6.745 12.786 1.00 0.00 C ATOM 590 O LYS A 43 -9.174 7.882 12.556 1.00 0.00 O ATOM 591 CB LYS A 43 -11.408 5.313 11.850 1.00 0.00 C ATOM 592 CG LYS A 43 -11.354 3.931 12.485 1.00 0.00 C ATOM 593 CD LYS A 43 -12.735 3.300 12.568 1.00 0.00 C ATOM 594 CE LYS A 43 -12.889 2.455 13.823 1.00 0.00 C ATOM 595 NZ LYS A 43 -12.911 0.998 13.512 1.00 0.00 N ATOM 0 H LYS A 43 -11.713 7.914 11.461 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.354 6.166 13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.403 5.473 11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.707 5.346 11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.694 3.288 11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.926 4.006 13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.494 4.082 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.906 2.680 11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.068 2.668 14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.811 2.731 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.017 0.456 14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.710 0.790 12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.021 0.729 13.046 1.00 0.00 H new ATOM 609 N GLU A 44 -8.781 5.714 13.017 1.00 0.00 N ATOM 610 CA GLU A 44 -7.332 5.860 13.014 1.00 0.00 C ATOM 611 C GLU A 44 -6.740 5.312 11.719 1.00 0.00 C ATOM 612 O GLU A 44 -7.472 4.954 10.796 1.00 0.00 O ATOM 613 CB GLU A 44 -6.722 5.136 14.216 1.00 0.00 C ATOM 614 CG GLU A 44 -7.000 3.642 14.229 1.00 0.00 C ATOM 615 CD GLU A 44 -5.800 2.829 14.672 1.00 0.00 C ATOM 616 OE1 GLU A 44 -4.899 3.404 15.319 1.00 0.00 O ATOM 617 OE2 GLU A 44 -5.760 1.618 14.371 1.00 0.00 O ATOM 0 H GLU A 44 -9.108 4.767 13.209 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.095 6.922 13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.644 5.297 14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.112 5.578 15.133 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.838 3.438 14.895 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.301 3.324 13.231 1.00 0.00 H new ATOM 624 N ARG A 45 -5.414 5.250 11.654 1.00 0.00 N ATOM 625 CA ARG A 45 -4.733 4.745 10.468 1.00 0.00 C ATOM 626 C ARG A 45 -4.308 3.290 10.655 1.00 0.00 C ATOM 627 O ARG A 45 -3.612 2.954 11.613 1.00 0.00 O ATOM 628 CB ARG A 45 -3.514 5.614 10.144 1.00 0.00 C ATOM 629 CG ARG A 45 -2.370 5.460 11.134 1.00 0.00 C ATOM 630 CD ARG A 45 -1.208 6.377 10.789 1.00 0.00 C ATOM 631 NE ARG A 45 -0.014 6.067 11.572 1.00 0.00 N ATOM 632 CZ ARG A 45 0.177 6.470 12.826 1.00 0.00 C ATOM 633 NH1 ARG A 45 -0.745 7.197 13.445 1.00 0.00 N ATOM 634 NH2 ARG A 45 1.293 6.145 13.465 1.00 0.00 N ATOM 0 H ARG A 45 -4.791 5.542 12.407 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.432 4.790 9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.155 5.362 9.146 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.821 6.659 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.725 5.684 12.140 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.029 4.425 11.139 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.978 6.287 9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.499 7.413 10.966 1.00 0.00 H new ATOM 0 HE ARG A 45 0.717 5.508 11.131 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.606 7.450 12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.593 7.503 14.406 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.005 5.586 12.995 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.439 6.454 14.426 1.00 0.00 H new ATOM 648 N GLU A 46 -4.733 2.434 9.732 1.00 0.00 N ATOM 649 CA GLU A 46 -4.400 1.015 9.788 1.00 0.00 C ATOM 650 C GLU A 46 -3.697 0.575 8.508 1.00 0.00 C ATOM 651 O GLU A 46 -4.086 0.972 7.410 1.00 0.00 O ATOM 652 CB GLU A 46 -5.667 0.184 10.002 1.00 0.00 C ATOM 653 CG GLU A 46 -6.787 0.525 9.033 1.00 0.00 C ATOM 654 CD GLU A 46 -7.790 -0.602 8.881 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.366 -1.738 8.579 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.999 -0.349 9.065 1.00 0.00 O ATOM 0 H GLU A 46 -5.310 2.699 8.934 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.723 0.854 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.420 -0.873 9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.022 0.333 11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.302 1.421 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.360 0.760 8.058 1.00 0.00 H new ATOM 663 N SER A 47 -2.656 -0.240 8.653 1.00 0.00 N ATOM 664 CA SER A 47 -1.901 -0.720 7.513 1.00 0.00 C ATOM 665 C SER A 47 -2.656 -1.802 6.760 1.00 0.00 C ATOM 666 O SER A 47 -3.698 -2.286 7.202 1.00 0.00 O ATOM 667 CB SER A 47 -0.545 -1.257 7.969 1.00 0.00 C ATOM 668 OG SER A 47 -0.018 -2.197 7.047 1.00 0.00 O ATOM 0 H SER A 47 -2.320 -0.579 9.554 1.00 0.00 H new ATOM 0 HA SER A 47 -1.751 0.121 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.154 -0.429 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.649 -1.726 8.948 1.00 0.00 H new ATOM 0 HG SER A 47 0.850 -2.519 7.368 1.00 0.00 H new ATOM 674 N VAL A 48 -2.103 -2.172 5.620 1.00 0.00 N ATOM 675 CA VAL A 48 -2.689 -3.205 4.770 1.00 0.00 C ATOM 676 C VAL A 48 -1.643 -4.236 4.358 1.00 0.00 C ATOM 677 O VAL A 48 -1.703 -5.394 4.771 1.00 0.00 O ATOM 678 CB VAL A 48 -3.326 -2.611 3.503 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.323 -3.588 2.899 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.991 -1.278 3.804 1.00 0.00 C ATOM 0 H VAL A 48 -1.240 -1.771 5.254 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.466 -3.688 5.362 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.535 -2.434 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.764 -3.151 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.812 -4.514 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.109 -3.800 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.434 -0.878 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.770 -1.421 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.247 -0.578 4.183 1.00 0.00 H new ATOM 690 N ALA A 49 -0.686 -3.809 3.540 1.00 0.00 N ATOM 691 CA ALA A 49 0.371 -4.698 3.072 1.00 0.00 C ATOM 692 C ALA A 49 1.702 -3.966 2.979 1.00 0.00 C ATOM 693 O ALA A 49 1.793 -2.901 2.369 1.00 0.00 O ATOM 694 CB ALA A 49 0.000 -5.298 1.724 1.00 0.00 C ATOM 0 H ALA A 49 -0.621 -2.854 3.188 1.00 0.00 H new ATOM 0 HA ALA A 49 0.480 -5.504 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.799 -5.959 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.925 -5.866 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.140 -4.499 0.996 1.00 0.00 H new ATOM 700 N ALA A 50 2.732 -4.539 3.593 1.00 0.00 N ATOM 701 CA ALA A 50 4.056 -3.928 3.581 1.00 0.00 C ATOM 702 C ALA A 50 5.149 -4.955 3.315 1.00 0.00 C ATOM 703 O ALA A 50 5.051 -6.105 3.734 1.00 0.00 O ATOM 704 CB ALA A 50 4.309 -3.215 4.898 1.00 0.00 C ATOM 0 H ALA A 50 2.676 -5.421 4.103 1.00 0.00 H new ATOM 0 HA ALA A 50 4.084 -3.203 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.300 -2.761 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.557 -2.439 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.252 -3.932 5.717 1.00 0.00 H new ATOM 710 N ILE A 51 6.195 -4.526 2.617 1.00 0.00 N ATOM 711 CA ILE A 51 7.313 -5.405 2.295 1.00 0.00 C ATOM 712 C ILE A 51 8.629 -4.835 2.809 1.00 0.00 C ATOM 713 O ILE A 51 8.864 -3.628 2.747 1.00 0.00 O ATOM 714 CB ILE A 51 7.425 -5.641 0.776 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.563 -6.619 0.465 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.635 -4.322 0.046 1.00 0.00 C ATOM 717 CD1 ILE A 51 8.121 -7.819 -0.344 1.00 0.00 C ATOM 0 H ILE A 51 6.292 -3.574 2.263 1.00 0.00 H new ATOM 0 HA ILE A 51 7.117 -6.357 2.789 1.00 0.00 H new ATOM 0 HB ILE A 51 6.492 -6.082 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.346 -6.092 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.002 -6.963 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.712 -4.507 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.791 -3.660 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.553 -3.852 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.976 -8.469 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.359 -8.369 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.709 -7.484 -1.296 1.00 0.00 H new ATOM 729 N ASN A 52 9.481 -5.716 3.317 1.00 0.00 N ATOM 730 CA ASN A 52 10.770 -5.322 3.845 1.00 0.00 C ATOM 731 C ASN A 52 11.771 -5.078 2.720 1.00 0.00 C ATOM 732 O ASN A 52 11.601 -5.575 1.606 1.00 0.00 O ATOM 733 CB ASN A 52 11.289 -6.413 4.776 1.00 0.00 C ATOM 734 CG ASN A 52 10.207 -6.976 5.678 1.00 0.00 C ATOM 735 OD1 ASN A 52 9.621 -6.257 6.488 1.00 0.00 O ATOM 736 ND2 ASN A 52 9.936 -8.269 5.542 1.00 0.00 N ATOM 0 H ASN A 52 9.295 -6.717 3.372 1.00 0.00 H new ATOM 0 HA ASN A 52 10.651 -4.391 4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.716 -7.220 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.094 -6.009 5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.218 -8.703 6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.446 -8.828 4.858 1.00 0.00 H new ATOM 800 N ARG A 57 10.095 -10.957 2.990 1.00 0.00 N ATOM 801 CA ARG A 57 8.690 -11.246 2.730 1.00 0.00 C ATOM 802 C ARG A 57 7.825 -10.014 2.973 1.00 0.00 C ATOM 803 O ARG A 57 8.306 -8.991 3.463 1.00 0.00 O ATOM 804 CB ARG A 57 8.219 -12.397 3.620 1.00 0.00 C ATOM 805 CG ARG A 57 7.047 -13.173 3.043 1.00 0.00 C ATOM 806 CD ARG A 57 6.956 -14.569 3.638 1.00 0.00 C ATOM 807 NE ARG A 57 5.959 -14.644 4.703 1.00 0.00 N ATOM 808 CZ ARG A 57 4.656 -14.449 4.512 1.00 0.00 C ATOM 809 NH1 ARG A 57 4.186 -14.191 3.297 1.00 0.00 N ATOM 810 NH2 ARG A 57 3.819 -14.516 5.538 1.00 0.00 N ATOM 0 HA ARG A 57 8.589 -11.534 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.051 -13.082 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.936 -11.999 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.121 -12.633 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.154 -13.244 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.703 -15.282 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.930 -14.860 4.031 1.00 0.00 H new ATOM 0 HE ARG A 57 6.280 -14.858 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.825 -14.141 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.187 -14.043 3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.173 -14.717 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.821 -14.367 5.392 1.00 0.00 H new ATOM 824 N THR A 58 6.545 -10.119 2.628 1.00 0.00 N ATOM 825 CA THR A 58 5.613 -9.014 2.813 1.00 0.00 C ATOM 826 C THR A 58 4.832 -9.178 4.112 1.00 0.00 C ATOM 827 O THR A 58 5.025 -10.145 4.849 1.00 0.00 O ATOM 828 CB THR A 58 4.648 -8.918 1.629 1.00 0.00 C ATOM 829 OG1 THR A 58 5.057 -9.772 0.575 1.00 0.00 O ATOM 830 CG2 THR A 58 4.535 -7.518 1.066 1.00 0.00 C ATOM 0 H THR A 58 6.131 -10.957 2.220 1.00 0.00 H new ATOM 0 HA THR A 58 6.191 -8.092 2.869 1.00 0.00 H new ATOM 0 HB THR A 58 3.677 -9.217 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.426 -9.697 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.836 -7.518 0.230 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.174 -6.842 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.514 -7.184 0.721 1.00 0.00 H new ATOM 838 N TYR A 59 3.955 -8.222 4.385 1.00 0.00 N ATOM 839 CA TYR A 59 3.143 -8.244 5.591 1.00 0.00 C ATOM 840 C TYR A 59 1.726 -7.772 5.291 1.00 0.00 C ATOM 841 O TYR A 59 1.456 -6.572 5.278 1.00 0.00 O ATOM 842 CB TYR A 59 3.774 -7.350 6.659 1.00 0.00 C ATOM 843 CG TYR A 59 2.919 -7.181 7.896 1.00 0.00 C ATOM 844 CD1 TYR A 59 2.652 -8.257 8.733 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.375 -5.945 8.223 1.00 0.00 C ATOM 846 CE1 TYR A 59 1.867 -8.105 9.861 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.590 -5.785 9.348 1.00 0.00 C ATOM 848 CZ TYR A 59 1.339 -6.868 10.164 1.00 0.00 C ATOM 849 OH TYR A 59 0.556 -6.713 11.285 1.00 0.00 O ATOM 0 H TYR A 59 3.788 -7.417 3.782 1.00 0.00 H new ATOM 0 HA TYR A 59 3.097 -9.269 5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.737 -7.770 6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.971 -6.368 6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.064 -9.227 8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.569 -5.095 7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.668 -8.951 10.502 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.175 -4.817 9.587 1.00 0.00 H new ATOM 0 HH TYR A 59 0.265 -5.780 11.354 1.00 0.00 H new ATOM 859 N TYR A 60 0.830 -8.722 5.050 1.00 0.00 N ATOM 860 CA TYR A 60 -0.557 -8.409 4.749 1.00 0.00 C ATOM 861 C TYR A 60 -1.331 -8.081 6.022 1.00 0.00 C ATOM 862 O TYR A 60 -0.837 -8.283 7.131 1.00 0.00 O ATOM 863 CB TYR A 60 -1.210 -9.590 4.036 1.00 0.00 C ATOM 864 CG TYR A 60 -0.653 -9.855 2.656 1.00 0.00 C ATOM 865 CD1 TYR A 60 -0.947 -9.011 1.593 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.163 -10.953 2.417 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.441 -9.254 0.329 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.672 -11.203 1.157 1.00 0.00 C ATOM 869 CZ TYR A 60 0.367 -10.351 0.117 1.00 0.00 C ATOM 870 OH TYR A 60 0.871 -10.597 -1.139 1.00 0.00 O ATOM 0 H TYR A 60 1.043 -9.719 5.058 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.579 -7.534 4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.085 -10.485 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.281 -9.406 3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.581 -8.152 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.404 -11.623 3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.677 -8.588 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.305 -12.061 0.988 1.00 0.00 H new ATOM 0 HH TYR A 60 1.422 -11.407 -1.118 1.00 0.00 H new ATOM 880 N ALA A 61 -2.549 -7.578 5.853 1.00 0.00 N ATOM 881 CA ALA A 61 -3.396 -7.227 6.986 1.00 0.00 C ATOM 882 C ALA A 61 -4.605 -8.151 7.068 1.00 0.00 C ATOM 883 O ALA A 61 -4.860 -8.938 6.155 1.00 0.00 O ATOM 884 CB ALA A 61 -3.842 -5.776 6.882 1.00 0.00 C ATOM 0 H ALA A 61 -2.972 -7.404 4.941 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.813 -7.350 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.474 -5.528 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.967 -5.126 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.405 -5.634 5.960 1.00 0.00 H new ATOM 890 N SER A 62 -5.348 -8.054 8.164 1.00 0.00 N ATOM 891 CA SER A 62 -6.527 -8.886 8.355 1.00 0.00 C ATOM 892 C SER A 62 -7.635 -8.478 7.395 1.00 0.00 C ATOM 893 O SER A 62 -7.717 -7.321 6.982 1.00 0.00 O ATOM 894 CB SER A 62 -7.021 -8.790 9.800 1.00 0.00 C ATOM 895 OG SER A 62 -7.479 -10.047 10.267 1.00 0.00 O ATOM 0 H SER A 62 -5.155 -7.410 8.931 1.00 0.00 H new ATOM 0 HA SER A 62 -6.251 -9.920 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.215 -8.433 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.827 -8.059 9.864 1.00 0.00 H new ATOM 0 HG SER A 62 -7.788 -9.959 11.193 1.00 0.00 H new ATOM 901 N SER A 63 -8.474 -9.445 7.029 1.00 0.00 N ATOM 902 CA SER A 63 -9.576 -9.212 6.096 1.00 0.00 C ATOM 903 C SER A 63 -9.081 -9.260 4.650 1.00 0.00 C ATOM 904 O SER A 63 -9.878 -9.237 3.712 1.00 0.00 O ATOM 905 CB SER A 63 -10.259 -7.869 6.375 1.00 0.00 C ATOM 906 OG SER A 63 -11.590 -7.861 5.886 1.00 0.00 O ATOM 0 H SER A 63 -8.411 -10.405 7.367 1.00 0.00 H new ATOM 0 HA SER A 63 -10.308 -10.007 6.242 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.261 -7.675 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.692 -7.065 5.907 1.00 0.00 H new ATOM 0 HG SER A 63 -11.611 -8.256 4.989 1.00 0.00 H new ATOM 912 N VAL A 64 -7.761 -9.330 4.478 1.00 0.00 N ATOM 913 CA VAL A 64 -7.163 -9.386 3.150 1.00 0.00 C ATOM 914 C VAL A 64 -5.831 -10.138 3.168 1.00 0.00 C ATOM 915 O VAL A 64 -5.083 -10.108 2.191 1.00 0.00 O ATOM 916 CB VAL A 64 -6.927 -7.974 2.582 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.250 -7.307 2.236 1.00 0.00 C ATOM 918 CG2 VAL A 64 -6.138 -7.128 3.569 1.00 0.00 C ATOM 0 H VAL A 64 -7.088 -9.349 5.244 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.869 -9.919 2.513 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.343 -8.064 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.062 -6.311 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.774 -7.904 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.863 -7.228 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.980 -6.134 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.694 -7.045 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.173 -7.598 3.761 1.00 0.00 H new ATOM 928 N ARG A 65 -5.534 -10.811 4.280 1.00 0.00 N ATOM 929 CA ARG A 65 -4.301 -11.557 4.411 1.00 0.00 C ATOM 930 C ARG A 65 -4.336 -12.805 3.550 1.00 0.00 C ATOM 931 O ARG A 65 -4.583 -13.912 4.030 1.00 0.00 O ATOM 932 CB ARG A 65 -4.070 -11.921 5.871 1.00 0.00 C ATOM 933 CG ARG A 65 -2.606 -11.948 6.267 1.00 0.00 C ATOM 934 CD ARG A 65 -2.333 -12.985 7.346 1.00 0.00 C ATOM 935 NE ARG A 65 -1.872 -12.372 8.590 1.00 0.00 N ATOM 936 CZ ARG A 65 -2.675 -11.756 9.455 1.00 0.00 C ATOM 937 NH1 ARG A 65 -3.976 -11.664 9.214 1.00 0.00 N ATOM 938 NH2 ARG A 65 -2.174 -11.229 10.564 1.00 0.00 N ATOM 0 H ARG A 65 -6.138 -10.849 5.101 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.476 -10.933 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.595 -11.205 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.508 -12.900 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.996 -12.166 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.308 -10.963 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.241 -13.556 7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.582 -13.690 6.989 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.877 -12.419 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.367 -12.066 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.586 -11.191 9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.174 -11.296 10.754 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.789 -10.757 11.227 1.00 0.00 H new ATOM 952 N GLY A 66 -4.093 -12.601 2.271 1.00 0.00 N ATOM 953 CA GLY A 66 -4.101 -13.688 1.318 1.00 0.00 C ATOM 954 C GLY A 66 -4.977 -13.387 0.118 1.00 0.00 C ATOM 955 O GLY A 66 -5.126 -14.220 -0.776 1.00 0.00 O ATOM 0 H GLY A 66 -3.887 -11.687 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.082 -13.883 0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.455 -14.596 1.807 1.00 0.00 H new ATOM 959 N ARG A 67 -5.562 -12.191 0.101 1.00 0.00 N ATOM 960 CA ARG A 67 -6.432 -11.783 -0.998 1.00 0.00 C ATOM 961 C ARG A 67 -5.777 -10.686 -1.833 1.00 0.00 C ATOM 962 O ARG A 67 -5.665 -10.805 -3.053 1.00 0.00 O ATOM 963 CB ARG A 67 -7.781 -11.296 -0.458 1.00 0.00 C ATOM 964 CG ARG A 67 -8.224 -12.003 0.818 1.00 0.00 C ATOM 965 CD ARG A 67 -9.540 -11.453 1.358 1.00 0.00 C ATOM 966 NE ARG A 67 -10.028 -10.306 0.594 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.698 -10.409 -0.551 1.00 0.00 C ATOM 968 NH1 ARG A 67 -10.958 -11.603 -1.071 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.107 -9.316 -1.180 1.00 0.00 N ATOM 0 H ARG A 67 -5.449 -11.490 0.834 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.598 -12.650 -1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.720 -10.225 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.542 -11.440 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.332 -13.070 0.621 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.449 -11.896 1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.292 -12.242 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.407 -11.160 2.400 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.844 -9.372 0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.644 -12.447 -0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.472 -11.676 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.908 -8.396 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.621 -9.395 -2.058 1.00 0.00 H new ATOM 983 N PHE A 68 -5.344 -9.621 -1.167 1.00 0.00 N ATOM 984 CA PHE A 68 -4.697 -8.502 -1.844 1.00 0.00 C ATOM 985 C PHE A 68 -3.272 -8.869 -2.250 1.00 0.00 C ATOM 986 O PHE A 68 -2.516 -9.427 -1.455 1.00 0.00 O ATOM 987 CB PHE A 68 -4.679 -7.273 -0.930 1.00 0.00 C ATOM 988 CG PHE A 68 -5.995 -6.545 -0.854 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.192 -7.202 -1.101 1.00 0.00 C ATOM 990 CD2 PHE A 68 -6.031 -5.198 -0.532 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.397 -6.529 -1.028 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.233 -4.520 -0.457 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.417 -5.187 -0.705 1.00 0.00 C ATOM 0 H PHE A 68 -5.429 -9.509 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.266 -8.270 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.389 -7.584 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.913 -6.582 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.182 -8.252 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.108 -4.671 -0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.321 -7.052 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.247 -3.470 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.357 -4.659 -0.646 1.00 0.00 H new ATOM 1003 N THR A 69 -2.911 -8.553 -3.490 1.00 0.00 N ATOM 1004 CA THR A 69 -1.575 -8.853 -3.994 1.00 0.00 C ATOM 1005 C THR A 69 -0.657 -7.649 -3.853 1.00 0.00 C ATOM 1006 O THR A 69 -1.110 -6.505 -3.831 1.00 0.00 O ATOM 1007 CB THR A 69 -1.641 -9.295 -5.457 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.594 -10.328 -5.627 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.317 -9.799 -5.990 1.00 0.00 C ATOM 0 H THR A 69 -3.523 -8.091 -4.163 1.00 0.00 H new ATOM 0 HA THR A 69 -1.166 -9.669 -3.397 1.00 0.00 H new ATOM 0 HB THR A 69 -1.923 -8.403 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.622 -10.595 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.434 -10.096 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.429 -9.007 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.009 -10.657 -5.402 1.00 0.00 H new ATOM 1017 N ILE A 70 0.636 -7.925 -3.745 1.00 0.00 N ATOM 1018 CA ILE A 70 1.641 -6.885 -3.586 1.00 0.00 C ATOM 1019 C ILE A 70 2.983 -7.347 -4.141 1.00 0.00 C ATOM 1020 O ILE A 70 3.405 -8.481 -3.912 1.00 0.00 O ATOM 1021 CB ILE A 70 1.778 -6.507 -2.101 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.694 -5.294 -1.913 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.264 -7.702 -1.294 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.143 -5.558 -2.241 1.00 0.00 C ATOM 0 H ILE A 70 1.015 -8.872 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 70 1.323 -6.006 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 70 0.793 -6.223 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.333 -4.479 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.623 -4.955 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.356 -7.420 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.549 -8.520 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.235 -8.024 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.723 -4.649 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.524 -6.350 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.230 -5.866 -3.283 1.00 0.00 H new ATOM 1036 N SER A 71 3.646 -6.463 -4.876 1.00 0.00 N ATOM 1037 CA SER A 71 4.940 -6.780 -5.468 1.00 0.00 C ATOM 1038 C SER A 71 5.742 -5.511 -5.738 1.00 0.00 C ATOM 1039 O SER A 71 5.174 -4.437 -5.935 1.00 0.00 O ATOM 1040 CB SER A 71 4.750 -7.564 -6.768 1.00 0.00 C ATOM 1041 OG SER A 71 5.940 -7.573 -7.538 1.00 0.00 O ATOM 0 H SER A 71 3.309 -5.521 -5.076 1.00 0.00 H new ATOM 0 HA SER A 71 5.495 -7.394 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.454 -8.588 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.941 -7.121 -7.349 1.00 0.00 H new ATOM 0 HG SER A 71 5.792 -8.082 -8.362 1.00 0.00 H new ATOM 1047 N ARG A 72 7.064 -5.645 -5.745 1.00 0.00 N ATOM 1048 CA ARG A 72 7.946 -4.510 -5.992 1.00 0.00 C ATOM 1049 C ARG A 72 8.468 -4.531 -7.424 1.00 0.00 C ATOM 1050 O ARG A 72 8.774 -5.593 -7.967 1.00 0.00 O ATOM 1051 CB ARG A 72 9.118 -4.527 -5.009 1.00 0.00 C ATOM 1052 CG ARG A 72 9.558 -3.142 -4.564 1.00 0.00 C ATOM 1053 CD ARG A 72 11.028 -3.122 -4.177 1.00 0.00 C ATOM 1054 NE ARG A 72 11.277 -2.267 -3.019 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.039 -2.634 -1.762 1.00 0.00 C ATOM 1056 NH1 ARG A 72 10.550 -3.839 -1.497 1.00 0.00 N ATOM 1057 NH2 ARG A 72 11.291 -1.795 -0.767 1.00 0.00 N ATOM 0 H ARG A 72 7.548 -6.528 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 72 7.372 -3.595 -5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.837 -5.109 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.963 -5.036 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.383 -2.427 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.953 -2.822 -3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.359 -4.137 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.621 -2.770 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 72 11.655 -1.334 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.355 -4.489 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.369 -4.115 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.667 -0.868 -0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.108 -2.077 0.196 1.00 0.00 H new ATOM 1071 N ASP A 73 8.568 -3.353 -8.032 1.00 0.00 N ATOM 1072 CA ASP A 73 9.055 -3.243 -9.403 1.00 0.00 C ATOM 1073 C ASP A 73 10.567 -3.444 -9.462 1.00 0.00 C ATOM 1074 O ASP A 73 11.099 -3.935 -10.457 1.00 0.00 O ATOM 1075 CB ASP A 73 8.682 -1.881 -9.993 1.00 0.00 C ATOM 1076 CG ASP A 73 9.193 -1.701 -11.409 1.00 0.00 C ATOM 1077 OD1 ASP A 73 9.343 -2.717 -12.120 1.00 0.00 O ATOM 1078 OD2 ASP A 73 9.444 -0.544 -11.808 1.00 0.00 O ATOM 0 H ASP A 73 8.319 -2.464 -7.599 1.00 0.00 H new ATOM 0 HA ASP A 73 8.581 -4.026 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.598 -1.770 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.088 -1.091 -9.361 1.00 0.00 H new ATOM 1083 N ASN A 74 11.253 -3.064 -8.389 1.00 0.00 N ATOM 1084 CA ASN A 74 12.702 -3.206 -8.319 1.00 0.00 C ATOM 1085 C ASN A 74 13.385 -2.423 -9.437 1.00 0.00 C ATOM 1086 O ASN A 74 14.482 -2.774 -9.872 1.00 0.00 O ATOM 1087 CB ASN A 74 13.092 -4.683 -8.402 1.00 0.00 C ATOM 1088 CG ASN A 74 13.287 -5.307 -7.035 1.00 0.00 C ATOM 1089 OD1 ASN A 74 12.561 -6.224 -6.648 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.272 -4.814 -6.294 1.00 0.00 N ATOM 0 H ASN A 74 10.828 -2.655 -7.556 1.00 0.00 H new ATOM 0 HA ASN A 74 13.036 -2.800 -7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.319 -5.230 -8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.012 -4.781 -8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.451 -5.195 -5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.849 -4.054 -6.654 1.00 0.00 H new ATOM 1097 N ALA A 75 12.732 -1.361 -9.897 1.00 0.00 N ATOM 1098 CA ALA A 75 13.278 -0.530 -10.960 1.00 0.00 C ATOM 1099 C ALA A 75 13.468 0.906 -10.488 1.00 0.00 C ATOM 1100 O ALA A 75 14.563 1.462 -10.581 1.00 0.00 O ATOM 1101 CB ALA A 75 12.372 -0.572 -12.182 1.00 0.00 C ATOM 0 H ALA A 75 11.823 -1.056 -9.549 1.00 0.00 H new ATOM 0 HA ALA A 75 14.255 -0.928 -11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.793 0.054 -12.969 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.291 -1.598 -12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.382 -0.202 -11.914 1.00 0.00 H new ATOM 1107 N LYS A 76 12.395 1.503 -9.978 1.00 0.00 N ATOM 1108 CA LYS A 76 12.443 2.875 -9.488 1.00 0.00 C ATOM 1109 C LYS A 76 12.010 2.948 -8.027 1.00 0.00 C ATOM 1110 O LYS A 76 11.507 3.974 -7.570 1.00 0.00 O ATOM 1111 CB LYS A 76 11.548 3.774 -10.342 1.00 0.00 C ATOM 1112 CG LYS A 76 11.793 3.633 -11.836 1.00 0.00 C ATOM 1113 CD LYS A 76 13.112 4.266 -12.246 1.00 0.00 C ATOM 1114 CE LYS A 76 13.477 3.911 -13.678 1.00 0.00 C ATOM 1115 NZ LYS A 76 13.755 2.457 -13.837 1.00 0.00 N ATOM 0 H LYS A 76 11.481 1.057 -9.894 1.00 0.00 H new ATOM 0 HA LYS A 76 13.473 3.224 -9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.505 3.541 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.708 4.813 -10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.795 2.577 -12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.977 4.102 -12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.045 5.349 -12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.902 3.931 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.662 4.199 -14.342 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.354 4.483 -13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.397 2.312 -14.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.199 2.092 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.863 1.950 -14.009 1.00 0.00 H new ATOM 1129 N LYS A 77 12.209 1.854 -7.298 1.00 0.00 N ATOM 1130 CA LYS A 77 11.839 1.796 -5.889 1.00 0.00 C ATOM 1131 C LYS A 77 10.344 2.047 -5.709 1.00 0.00 C ATOM 1132 O LYS A 77 9.936 2.888 -4.908 1.00 0.00 O ATOM 1133 CB LYS A 77 12.643 2.823 -5.087 1.00 0.00 C ATOM 1134 CG LYS A 77 14.143 2.732 -5.313 1.00 0.00 C ATOM 1135 CD LYS A 77 14.732 1.496 -4.653 1.00 0.00 C ATOM 1136 CE LYS A 77 16.209 1.341 -4.978 1.00 0.00 C ATOM 1137 NZ LYS A 77 17.074 2.030 -3.980 1.00 0.00 N ATOM 0 H LYS A 77 12.625 0.996 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 77 12.068 0.797 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.304 3.825 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.435 2.687 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.350 2.708 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.627 3.624 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.601 1.562 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.190 0.611 -4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.464 0.282 -5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.407 1.746 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 18.073 1.900 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.849 3.045 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.905 1.626 -3.037 1.00 0.00 H new ATOM 1151 N THR A 78 9.532 1.311 -6.462 1.00 0.00 N ATOM 1152 CA THR A 78 8.082 1.456 -6.386 1.00 0.00 C ATOM 1153 C THR A 78 7.416 0.134 -6.022 1.00 0.00 C ATOM 1154 O THR A 78 7.899 -0.941 -6.382 1.00 0.00 O ATOM 1155 CB THR A 78 7.526 1.964 -7.718 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.025 3.258 -8.008 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.012 2.036 -7.755 1.00 0.00 C ATOM 0 H THR A 78 9.852 0.610 -7.130 1.00 0.00 H new ATOM 0 HA THR A 78 7.861 2.182 -5.604 1.00 0.00 H new ATOM 0 HB THR A 78 7.854 1.236 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.660 3.565 -8.864 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.689 2.404 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.596 1.043 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.661 2.713 -6.976 1.00 0.00 H new ATOM 1165 N VAL A 79 6.294 0.229 -5.318 1.00 0.00 N ATOM 1166 CA VAL A 79 5.542 -0.951 -4.914 1.00 0.00 C ATOM 1167 C VAL A 79 4.141 -0.926 -5.509 1.00 0.00 C ATOM 1168 O VAL A 79 3.518 0.132 -5.616 1.00 0.00 O ATOM 1169 CB VAL A 79 5.444 -1.073 -3.386 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.806 -1.388 -2.786 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.862 0.193 -2.776 1.00 0.00 C ATOM 0 H VAL A 79 5.885 1.113 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 79 6.084 -1.817 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 79 4.770 -1.897 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.716 -1.471 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.174 -2.330 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.506 -0.589 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.803 0.081 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.502 1.041 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.864 0.365 -3.178 1.00 0.00 H new ATOM 1181 N TYR A 80 3.654 -2.096 -5.905 1.00 0.00 N ATOM 1182 CA TYR A 80 2.331 -2.210 -6.501 1.00 0.00 C ATOM 1183 C TYR A 80 1.515 -3.285 -5.792 1.00 0.00 C ATOM 1184 O TYR A 80 2.033 -4.354 -5.473 1.00 0.00 O ATOM 1185 CB TYR A 80 2.453 -2.546 -7.988 1.00 0.00 C ATOM 1186 CG TYR A 80 3.337 -1.604 -8.763 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.685 -1.470 -8.460 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.821 -0.857 -9.812 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.492 -0.616 -9.181 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.621 -0.001 -10.536 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.954 0.115 -10.216 1.00 0.00 C ATOM 1192 OH TYR A 80 5.757 0.968 -10.938 1.00 0.00 O ATOM 0 H TYR A 80 4.157 -2.979 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 80 1.819 -1.254 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.843 -3.559 -8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.458 -2.542 -8.433 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.108 -2.043 -7.648 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.775 -0.948 -10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.539 -0.521 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.205 0.575 -11.349 1.00 0.00 H new ATOM 0 HH TYR A 80 5.225 1.408 -11.634 1.00 0.00 H new ATOM 1202 N LEU A 81 0.239 -3.004 -5.548 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.625 -3.966 -4.878 1.00 0.00 C ATOM 1204 C LEU A 81 -1.941 -4.139 -5.630 1.00 0.00 C ATOM 1205 O LEU A 81 -2.659 -3.171 -5.886 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.875 -3.547 -3.421 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.125 -2.697 -3.172 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.401 -2.582 -1.680 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -1.964 -1.320 -3.795 1.00 0.00 C ATOM 0 H LEU A 81 -0.215 -2.127 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.117 -4.930 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.945 -4.448 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.006 -2.991 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.977 -3.188 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.292 -1.975 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.559 -3.576 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.549 -2.112 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.861 -0.729 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.102 -0.820 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.814 -1.422 -4.870 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.239 -5.383 -5.985 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.454 -5.710 -6.714 1.00 0.00 C ATOM 1223 C GLN A 82 -4.554 -6.181 -5.768 1.00 0.00 C ATOM 1224 O GLN A 82 -4.569 -7.337 -5.345 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.154 -6.795 -7.737 1.00 0.00 C ATOM 1226 CG GLN A 82 -3.995 -6.698 -8.999 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.494 -7.605 -10.105 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -3.981 -8.840 -10.123 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -2.679 -7.201 -10.935 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.648 -6.188 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.805 -4.811 -7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.100 -6.743 -8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.317 -7.770 -7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.028 -6.955 -8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.996 -5.667 -9.352 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.331 -6.244 -10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.352 -7.824 -11.674 1.00 0.00 H new ATOM 1238 N MET A 83 -5.473 -5.280 -5.439 1.00 0.00 N ATOM 1239 CA MET A 83 -6.575 -5.603 -4.543 1.00 0.00 C ATOM 1240 C MET A 83 -7.728 -6.244 -5.309 1.00 0.00 C ATOM 1241 O MET A 83 -8.623 -5.550 -5.794 1.00 0.00 O ATOM 1242 CB MET A 83 -7.062 -4.339 -3.838 1.00 0.00 C ATOM 1243 CG MET A 83 -5.936 -3.432 -3.383 1.00 0.00 C ATOM 1244 SD MET A 83 -6.173 -1.715 -3.881 1.00 0.00 S ATOM 1245 CE MET A 83 -7.764 -1.363 -3.137 1.00 0.00 C ATOM 0 H MET A 83 -5.476 -4.319 -5.780 1.00 0.00 H new ATOM 0 HA MET A 83 -6.215 -6.315 -3.801 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.715 -3.785 -4.512 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.662 -4.622 -2.973 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.852 -3.482 -2.297 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.994 -3.797 -3.792 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.489 -1.137 -3.919 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.101 -2.231 -2.570 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.672 -0.507 -2.469 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.704 -7.568 -5.422 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.749 -8.289 -6.134 1.00 0.00 C ATOM 1257 C ASN A 84 -9.972 -8.498 -5.252 1.00 0.00 C ATOM 1258 O ASN A 84 -9.956 -8.179 -4.063 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.244 -9.645 -6.639 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.738 -9.810 -6.536 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.227 -10.357 -5.558 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.020 -9.336 -7.547 1.00 0.00 N ATOM 0 H ASN A 84 -6.973 -8.161 -5.030 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.032 -7.678 -6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.728 -10.438 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.545 -9.771 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.003 -9.418 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.485 -8.890 -8.338 1.00 0.00 H new ATOM 1269 N SER A 85 -11.028 -9.045 -5.854 1.00 0.00 N ATOM 1270 CA SER A 85 -12.284 -9.321 -5.152 1.00 0.00 C ATOM 1271 C SER A 85 -12.560 -8.297 -4.050 1.00 0.00 C ATOM 1272 O SER A 85 -12.903 -8.659 -2.924 1.00 0.00 O ATOM 1273 CB SER A 85 -12.254 -10.731 -4.558 1.00 0.00 C ATOM 1274 OG SER A 85 -13.482 -11.403 -4.778 1.00 0.00 O ATOM 0 H SER A 85 -11.038 -9.309 -6.839 1.00 0.00 H new ATOM 0 HA SER A 85 -13.091 -9.247 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.439 -11.300 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.053 -10.674 -3.488 1.00 0.00 H new ATOM 0 HG SER A 85 -13.437 -12.302 -4.391 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.405 -7.018 -4.380 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.632 -5.945 -3.419 1.00 0.00 C ATOM 1282 C LEU A 86 -13.962 -6.129 -2.693 1.00 0.00 C ATOM 1283 O LEU A 86 -14.854 -6.828 -3.174 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.598 -4.584 -4.121 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.565 -3.599 -3.569 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.233 -3.769 -4.282 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.067 -2.168 -3.702 1.00 0.00 C ATOM 0 H LEU A 86 -12.123 -6.700 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.832 -5.982 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.397 -4.743 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.586 -4.130 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.416 -3.812 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.510 -3.061 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.868 -4.785 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.365 -3.583 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.319 -1.482 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.245 -1.941 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.996 -2.055 -3.144 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.082 -5.499 -1.532 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.298 -5.592 -0.730 1.00 0.00 C ATOM 1301 C LYS A 87 -15.828 -4.199 -0.392 1.00 0.00 C ATOM 1302 O LYS A 87 -15.185 -3.195 -0.699 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.034 -6.382 0.559 1.00 0.00 C ATOM 1304 CG LYS A 87 -13.892 -7.383 0.452 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.288 -8.592 -0.381 1.00 0.00 C ATOM 1306 CE LYS A 87 -15.045 -9.617 0.448 1.00 0.00 C ATOM 1307 NZ LYS A 87 -16.116 -10.287 -0.340 1.00 0.00 N ATOM 0 H LYS A 87 -13.351 -4.917 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.051 -6.119 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.814 -5.680 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.943 -6.913 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.024 -6.900 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.597 -7.708 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.907 -8.271 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.395 -9.052 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.348 -10.366 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.486 -9.128 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.608 -10.978 0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.795 -9.576 -0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.693 -10.776 -1.155 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.011 -4.115 0.246 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.614 -2.834 0.616 1.00 0.00 C ATOM 1323 C PRO A 88 -17.033 -2.255 1.904 1.00 0.00 C ATOM 1324 O PRO A 88 -17.531 -1.259 2.428 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.083 -3.196 0.807 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.058 -4.605 1.292 1.00 0.00 C ATOM 1327 CD PRO A 88 -17.856 -5.256 0.652 1.00 0.00 C ATOM 0 HA PRO A 88 -17.435 -2.065 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.564 -2.536 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.639 -3.107 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.986 -4.640 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.975 -5.127 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.336 -5.910 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.141 -5.867 -0.204 1.00 0.00 H new ATOM 1335 N GLU A 89 -15.975 -2.881 2.405 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.320 -2.429 3.624 1.00 0.00 C ATOM 1337 C GLU A 89 -13.946 -1.832 3.312 1.00 0.00 C ATOM 1338 O GLU A 89 -13.300 -1.253 4.185 1.00 0.00 O ATOM 1339 CB GLU A 89 -15.185 -3.599 4.606 1.00 0.00 C ATOM 1340 CG GLU A 89 -14.172 -3.362 5.714 1.00 0.00 C ATOM 1341 CD GLU A 89 -14.112 -4.510 6.703 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -15.126 -5.224 6.847 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -13.050 -4.695 7.333 1.00 0.00 O ATOM 0 H GLU A 89 -15.551 -3.707 1.983 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.931 -1.650 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.158 -3.798 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.900 -4.494 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.186 -3.214 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.426 -2.444 6.243 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.505 -1.980 2.064 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.213 -1.459 1.642 1.00 0.00 C ATOM 1352 C ASP A 90 -12.293 0.034 1.333 1.00 0.00 C ATOM 1353 O ASP A 90 -11.277 0.728 1.320 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.719 -2.223 0.413 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.060 -3.539 0.778 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.167 -3.533 1.651 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.437 -4.574 0.190 1.00 0.00 O ATOM 0 H ASP A 90 -14.027 -2.458 1.329 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.507 -1.597 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.559 -2.413 -0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.009 -1.604 -0.135 1.00 0.00 H new ATOM 1362 N THR A 91 -13.506 0.525 1.085 1.00 0.00 N ATOM 1363 CA THR A 91 -13.718 1.929 0.778 1.00 0.00 C ATOM 1364 C THR A 91 -13.121 2.829 1.857 1.00 0.00 C ATOM 1365 O THR A 91 -13.703 3.001 2.928 1.00 0.00 O ATOM 1366 CB THR A 91 -15.214 2.184 0.641 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.753 1.395 -0.402 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.563 3.630 0.358 1.00 0.00 C ATOM 0 H THR A 91 -14.358 -0.036 1.092 1.00 0.00 H new ATOM 0 HA THR A 91 -13.215 2.166 -0.159 1.00 0.00 H new ATOM 0 HB THR A 91 -15.643 1.918 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.729 1.481 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.645 3.733 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.201 4.258 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.095 3.941 -0.576 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.956 3.401 1.566 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.280 4.283 2.510 1.00 0.00 C ATOM 1378 C ALA A 92 -10.095 4.985 1.855 1.00 0.00 C ATOM 1379 O ALA A 92 -9.858 4.834 0.657 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.823 3.497 3.729 1.00 0.00 C ATOM 0 H ALA A 92 -11.461 3.269 0.684 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.989 5.047 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.320 4.167 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.688 3.048 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.133 2.712 3.418 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.349 5.747 2.650 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.186 6.465 2.148 1.00 0.00 C ATOM 1388 C VAL A 93 -6.943 5.582 2.206 1.00 0.00 C ATOM 1389 O VAL A 93 -6.364 5.381 3.273 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.941 7.751 2.961 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.668 8.452 2.506 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.138 8.684 2.853 1.00 0.00 C ATOM 0 H VAL A 93 -9.531 5.882 3.645 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.385 6.735 1.111 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.813 7.472 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.520 9.356 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.817 7.785 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.755 8.717 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.949 9.587 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.299 8.950 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.025 8.184 3.240 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.541 5.052 1.055 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.380 4.189 0.975 1.00 0.00 C ATOM 1404 C TYR A 94 -4.099 5.010 0.868 1.00 0.00 C ATOM 1405 O TYR A 94 -3.792 5.563 -0.187 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.520 3.270 -0.233 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.159 1.939 0.087 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.542 1.805 0.129 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.383 0.816 0.348 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.133 0.591 0.422 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -5.968 -0.402 0.641 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.342 -0.509 0.677 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.928 -1.719 0.970 1.00 0.00 O ATOM 0 H TYR A 94 -7.009 5.210 0.163 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.320 3.591 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.114 3.774 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.533 3.095 -0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.165 2.664 -0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.306 0.896 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.209 0.504 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.351 -1.266 0.841 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.611 -1.923 0.298 1.00 0.00 H new ATOM 1423 N THR A 95 -3.357 5.090 1.967 1.00 0.00 N ATOM 1424 CA THR A 95 -2.112 5.851 1.988 1.00 0.00 C ATOM 1425 C THR A 95 -0.897 4.928 1.971 1.00 0.00 C ATOM 1426 O THR A 95 -0.826 3.968 2.734 1.00 0.00 O ATOM 1427 CB THR A 95 -2.063 6.752 3.223 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.264 7.492 3.353 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.916 7.739 3.198 1.00 0.00 C ATOM 0 H THR A 95 -3.594 4.640 2.851 1.00 0.00 H new ATOM 0 HA THR A 95 -2.083 6.468 1.090 1.00 0.00 H new ATOM 0 HB THR A 95 -1.922 6.077 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.213 8.061 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.939 8.347 4.102 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.029 7.198 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.010 8.384 2.325 1.00 0.00 H new ATOM 1437 N CYS A 96 0.061 5.230 1.100 1.00 0.00 N ATOM 1438 CA CYS A 96 1.276 4.430 0.993 1.00 0.00 C ATOM 1439 C CYS A 96 2.400 5.049 1.816 1.00 0.00 C ATOM 1440 O CYS A 96 2.607 6.263 1.786 1.00 0.00 O ATOM 1441 CB CYS A 96 1.708 4.304 -0.471 1.00 0.00 C ATOM 1442 SG CYS A 96 3.055 3.109 -0.749 1.00 0.00 S ATOM 0 H CYS A 96 0.019 6.022 0.459 1.00 0.00 H new ATOM 0 HA CYS A 96 1.063 3.435 1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.846 4.009 -1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.025 5.283 -0.831 1.00 0.00 H new ATOM 1447 N GLY A 97 3.121 4.212 2.554 1.00 0.00 N ATOM 1448 CA GLY A 97 4.209 4.704 3.376 1.00 0.00 C ATOM 1449 C GLY A 97 5.415 3.787 3.360 1.00 0.00 C ATOM 1450 O GLY A 97 5.390 2.723 2.741 1.00 0.00 O ATOM 0 H GLY A 97 2.971 3.204 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.505 5.693 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.860 4.820 4.402 1.00 0.00 H new ATOM 1454 N ALA A 98 6.472 4.202 4.047 1.00 0.00 N ATOM 1455 CA ALA A 98 7.698 3.418 4.119 1.00 0.00 C ATOM 1456 C ALA A 98 8.181 3.291 5.557 1.00 0.00 C ATOM 1457 O ALA A 98 7.696 3.987 6.450 1.00 0.00 O ATOM 1458 CB ALA A 98 8.777 4.042 3.247 1.00 0.00 C ATOM 0 H ALA A 98 6.504 5.081 4.564 1.00 0.00 H new ATOM 0 HA ALA A 98 7.484 2.416 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.687 3.445 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.436 4.073 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.983 5.055 3.592 1.00 0.00 H new ATOM 1464 N GLY A 99 9.135 2.394 5.775 1.00 0.00 N ATOM 1465 CA GLY A 99 9.663 2.185 7.110 1.00 0.00 C ATOM 1466 C GLY A 99 11.148 2.470 7.206 1.00 0.00 C ATOM 1467 O GLY A 99 11.728 3.088 6.316 1.00 0.00 O ATOM 0 H GLY A 99 9.552 1.808 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.129 2.826 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.475 1.155 7.413 1.00 0.00 H new ATOM 1471 N GLU A 100 11.758 2.025 8.299 1.00 0.00 N ATOM 1472 CA GLU A 100 13.180 2.232 8.526 1.00 0.00 C ATOM 1473 C GLU A 100 13.623 1.569 9.826 1.00 0.00 C ATOM 1474 O GLU A 100 13.214 1.977 10.913 1.00 0.00 O ATOM 1475 CB GLU A 100 13.485 3.725 8.568 1.00 0.00 C ATOM 1476 CG GLU A 100 14.352 4.198 7.416 1.00 0.00 C ATOM 1477 CD GLU A 100 15.707 4.703 7.871 1.00 0.00 C ATOM 1478 OE1 GLU A 100 15.771 5.829 8.409 1.00 0.00 O ATOM 1479 OE2 GLU A 100 16.705 3.974 7.690 1.00 0.00 O ATOM 0 H GLU A 100 11.284 1.516 9.045 1.00 0.00 H new ATOM 0 HA GLU A 100 13.732 1.776 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.547 4.280 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.984 3.960 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.492 3.378 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.834 4.993 6.880 1.00 0.00 H new ATOM 1486 N GLY A 101 14.457 0.542 9.707 1.00 0.00 N ATOM 1487 CA GLY A 101 14.939 -0.163 10.875 1.00 0.00 C ATOM 1488 C GLY A 101 13.818 -0.799 11.677 1.00 0.00 C ATOM 1489 O GLY A 101 14.001 -1.143 12.844 1.00 0.00 O ATOM 0 H GLY A 101 14.808 0.186 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.642 -0.936 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.489 0.530 11.512 1.00 0.00 H new ATOM 1493 N GLY A 102 12.655 -0.955 11.050 1.00 0.00 N ATOM 1494 CA GLY A 102 11.522 -1.553 11.730 1.00 0.00 C ATOM 1495 C GLY A 102 10.430 -0.548 12.046 1.00 0.00 C ATOM 1496 O GLY A 102 9.319 -0.928 12.415 1.00 0.00 O ATOM 0 H GLY A 102 12.478 -0.678 10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.109 -2.348 11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.863 -2.016 12.656 1.00 0.00 H new ATOM 1500 N THR A 103 10.743 0.738 11.907 1.00 0.00 N ATOM 1501 CA THR A 103 9.785 1.792 12.183 1.00 0.00 C ATOM 1502 C THR A 103 9.099 2.250 10.900 1.00 0.00 C ATOM 1503 O THR A 103 9.418 1.776 9.808 1.00 0.00 O ATOM 1504 CB THR A 103 10.506 2.969 12.831 1.00 0.00 C ATOM 1505 OG1 THR A 103 11.441 2.516 13.794 1.00 0.00 O ATOM 1506 CG2 THR A 103 9.586 3.957 13.514 1.00 0.00 C ATOM 0 H THR A 103 11.658 1.071 11.603 1.00 0.00 H new ATOM 0 HA THR A 103 9.022 1.406 12.860 1.00 0.00 H new ATOM 0 HB THR A 103 10.998 3.482 12.005 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.894 3.286 14.197 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.177 4.763 13.949 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.890 4.370 12.784 1.00 0.00 H new ATOM 0 HG23 THR A 103 9.028 3.450 14.301 1.00 0.00 H new ATOM 1514 N TRP A 104 8.163 3.179 11.042 1.00 0.00 N ATOM 1515 CA TRP A 104 7.428 3.716 9.904 1.00 0.00 C ATOM 1516 C TRP A 104 7.109 5.190 10.115 1.00 0.00 C ATOM 1517 O TRP A 104 6.254 5.541 10.928 1.00 0.00 O ATOM 1518 CB TRP A 104 6.138 2.928 9.683 1.00 0.00 C ATOM 1519 CG TRP A 104 6.376 1.480 9.392 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.590 0.488 10.303 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.430 0.862 8.101 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.770 -0.713 9.659 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.677 -0.509 8.306 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.292 1.334 6.793 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.788 -1.411 7.250 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.403 0.439 5.747 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.649 -0.921 5.980 1.00 0.00 C ATOM 0 H TRP A 104 7.893 3.579 11.941 1.00 0.00 H new ATOM 0 HA TRP A 104 8.056 3.620 9.018 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.510 3.016 10.569 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.585 3.372 8.855 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.614 0.626 11.374 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.944 -1.609 10.113 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.102 2.380 6.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 6.977 -2.459 7.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.298 0.793 4.732 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.730 -1.596 5.141 1.00 0.00 H new ATOM 1538 N ASP A 105 7.807 6.050 9.381 1.00 0.00 N ATOM 1539 CA ASP A 105 7.604 7.488 9.490 1.00 0.00 C ATOM 1540 C ASP A 105 7.491 8.142 8.111 1.00 0.00 C ATOM 1541 O ASP A 105 7.506 9.367 7.992 1.00 0.00 O ATOM 1542 CB ASP A 105 8.746 8.114 10.288 1.00 0.00 C ATOM 1543 CG ASP A 105 8.621 9.620 10.417 1.00 0.00 C ATOM 1544 OD1 ASP A 105 7.965 10.082 11.375 1.00 0.00 O ATOM 1545 OD2 ASP A 105 9.179 10.338 9.560 1.00 0.00 O ATOM 0 H ASP A 105 8.519 5.775 8.704 1.00 0.00 H new ATOM 0 HA ASP A 105 6.664 7.662 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.773 7.670 11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.694 7.873 9.806 1.00 0.00 H new ATOM 1550 N SER A 106 7.370 7.321 7.068 1.00 0.00 N ATOM 1551 CA SER A 106 7.248 7.833 5.707 1.00 0.00 C ATOM 1552 C SER A 106 5.861 7.550 5.142 1.00 0.00 C ATOM 1553 O SER A 106 5.339 6.444 5.277 1.00 0.00 O ATOM 1554 CB SER A 106 8.314 7.213 4.802 1.00 0.00 C ATOM 1555 OG SER A 106 8.646 8.085 3.736 1.00 0.00 O ATOM 0 H SER A 106 7.354 6.304 7.141 1.00 0.00 H new ATOM 0 HA SER A 106 7.396 8.912 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.207 6.991 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.951 6.266 4.402 1.00 0.00 H new ATOM 0 HG SER A 106 9.579 7.939 3.472 1.00 0.00 H new ATOM 1561 N TRP A 107 5.268 8.558 4.510 1.00 0.00 N ATOM 1562 CA TRP A 107 3.940 8.417 3.925 1.00 0.00 C ATOM 1563 C TRP A 107 3.845 9.159 2.597 1.00 0.00 C ATOM 1564 O TRP A 107 4.696 9.989 2.274 1.00 0.00 O ATOM 1565 CB TRP A 107 2.878 8.942 4.892 1.00 0.00 C ATOM 1566 CG TRP A 107 3.051 8.441 6.293 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.587 9.122 7.348 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.689 7.148 6.790 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.580 8.331 8.472 1.00 0.00 N ATOM 1570 CE2 TRP A 107 3.033 7.115 8.155 1.00 0.00 C ATOM 1571 CE3 TRP A 107 2.107 6.015 6.215 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.814 5.993 8.951 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.889 4.903 7.006 1.00 0.00 C ATOM 1574 CH2 TRP A 107 2.242 4.899 8.361 1.00 0.00 C ATOM 0 H TRP A 107 5.686 9.481 4.390 1.00 0.00 H new ATOM 0 HA TRP A 107 3.764 7.357 3.739 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.908 10.032 4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.892 8.652 4.529 1.00 0.00 H new ATOM 0 HD1 TRP A 107 3.962 10.134 7.306 1.00 0.00 H new ATOM 0 HE1 TRP A 107 3.926 8.604 9.392 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.832 6.009 5.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.086 5.987 9.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 1.439 4.022 6.572 1.00 0.00 H new ATOM 0 HH2 TRP A 107 2.059 4.014 8.953 1.00 0.00 H new ATOM 1585 N GLY A 108 2.804 8.854 1.832 1.00 0.00 N ATOM 1586 CA GLY A 108 2.611 9.498 0.546 1.00 0.00 C ATOM 1587 C GLY A 108 1.459 10.484 0.557 1.00 0.00 C ATOM 1588 O GLY A 108 1.127 11.049 1.599 1.00 0.00 O ATOM 0 H GLY A 108 2.088 8.171 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.527 10.017 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.427 8.738 -0.213 1.00 0.00 H new ATOM 1592 N GLN A 109 0.848 10.691 -0.605 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.271 11.614 -0.727 1.00 0.00 C ATOM 1594 C GLN A 109 -1.587 10.926 -0.378 1.00 0.00 C ATOM 1595 O GLN A 109 -2.509 11.555 0.142 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.332 12.176 -2.142 1.00 0.00 C ATOM 1597 CG GLN A 109 0.395 13.502 -2.303 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.173 14.589 -1.411 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -1.171 14.383 -0.721 1.00 0.00 O ATOM 1600 NE2 GLN A 109 0.462 15.755 -1.422 1.00 0.00 N ATOM 0 H GLN A 109 1.111 10.230 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.118 12.432 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.098 11.449 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.376 12.307 -2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.451 13.363 -2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.334 13.822 -3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 109 1.286 15.881 -2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.126 16.524 -0.843 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.668 9.631 -0.666 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.874 8.879 -0.374 1.00 0.00 C ATOM 1611 C GLY A 110 -3.800 8.773 -1.570 1.00 0.00 C ATOM 1612 O GLY A 110 -3.751 9.603 -2.477 1.00 0.00 O ATOM 0 H GLY A 110 -0.919 9.089 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.601 7.878 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.404 9.356 0.450 1.00 0.00 H new ATOM 1616 N THR A 111 -4.647 7.748 -1.570 1.00 0.00 N ATOM 1617 CA THR A 111 -5.590 7.536 -2.661 1.00 0.00 C ATOM 1618 C THR A 111 -6.873 6.894 -2.142 1.00 0.00 C ATOM 1619 O THR A 111 -6.869 5.745 -1.699 1.00 0.00 O ATOM 1620 CB THR A 111 -4.962 6.661 -3.749 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.791 6.615 -4.896 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.712 5.234 -3.307 1.00 0.00 C ATOM 0 H THR A 111 -4.699 7.052 -0.826 1.00 0.00 H new ATOM 0 HA THR A 111 -5.837 8.505 -3.094 1.00 0.00 H new ATOM 0 HB THR A 111 -4.002 7.127 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.258 6.817 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.266 4.672 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.033 5.231 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.656 4.771 -3.021 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.967 7.644 -2.192 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.251 7.147 -1.720 1.00 0.00 C ATOM 1632 C GLN A 112 -9.769 6.032 -2.620 1.00 0.00 C ATOM 1633 O GLN A 112 -9.624 6.080 -3.841 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.264 8.300 -1.631 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.729 7.887 -1.726 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.353 7.665 -0.366 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.599 7.044 0.529 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.497 8.046 -0.123 1.00 0.00 N flip ATOM 0 H GLN A 112 -7.990 8.597 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.115 6.729 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.111 8.824 -0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.051 9.011 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.287 8.657 -2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.809 6.972 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.041 8.520 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.902 7.888 0.800 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.373 5.030 -1.996 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.920 3.892 -2.711 1.00 0.00 C ATOM 1649 C VAL A 113 -12.421 3.776 -2.460 1.00 0.00 C ATOM 1650 O VAL A 113 -12.882 3.923 -1.328 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.221 2.596 -2.267 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.972 1.364 -2.757 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.780 2.575 -2.754 1.00 0.00 C ATOM 0 H VAL A 113 -10.496 4.986 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.749 4.043 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.221 2.572 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.452 0.465 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.983 1.368 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.019 1.376 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.300 1.651 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.763 2.632 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.243 3.427 -2.338 1.00 0.00 H new ATOM 1663 N THR A 114 -13.178 3.514 -3.521 1.00 0.00 N ATOM 1664 CA THR A 114 -14.623 3.382 -3.415 1.00 0.00 C ATOM 1665 C THR A 114 -15.080 2.006 -3.895 1.00 0.00 C ATOM 1666 O THR A 114 -14.605 1.504 -4.914 1.00 0.00 O ATOM 1667 CB THR A 114 -15.306 4.481 -4.230 1.00 0.00 C ATOM 1668 OG1 THR A 114 -15.045 5.755 -3.667 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.810 4.322 -4.323 1.00 0.00 C ATOM 0 H THR A 114 -12.812 3.389 -4.465 1.00 0.00 H new ATOM 0 HA THR A 114 -14.905 3.486 -2.367 1.00 0.00 H new ATOM 0 HB THR A 114 -14.888 4.394 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.799 6.354 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.226 5.137 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.047 3.370 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.241 4.344 -3.322 1.00 0.00 H new ATOM 1677 N VAL A 115 -16.008 1.404 -3.157 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.534 0.096 -3.505 1.00 0.00 C ATOM 1679 C VAL A 115 -18.050 0.081 -3.357 1.00 0.00 C ATOM 1680 O VAL A 115 -18.640 1.004 -2.795 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.931 -1.021 -2.626 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -16.011 -2.363 -3.337 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.490 -0.700 -2.251 1.00 0.00 C ATOM 0 H VAL A 115 -16.410 1.807 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.257 -0.096 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.515 -1.081 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.581 -3.137 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -17.054 -2.602 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.456 -2.312 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.088 -1.502 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.891 -0.605 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.459 0.237 -1.696 1.00 0.00 H new ATOM 1693 N SER A 116 -18.672 -0.967 -3.867 1.00 0.00 N ATOM 1694 CA SER A 116 -20.122 -1.108 -3.799 1.00 0.00 C ATOM 1695 C SER A 116 -20.517 -2.530 -3.412 1.00 0.00 C ATOM 1696 O SER A 116 -19.681 -3.320 -2.975 1.00 0.00 O ATOM 1697 CB SER A 116 -20.752 -0.738 -5.144 1.00 0.00 C ATOM 1698 OG SER A 116 -21.984 -0.062 -4.962 1.00 0.00 O ATOM 0 H SER A 116 -18.196 -1.738 -4.336 1.00 0.00 H new ATOM 0 HA SER A 116 -20.492 -0.429 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.067 -0.106 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.912 -1.640 -5.734 1.00 0.00 H new ATOM 0 HG SER A 116 -22.365 0.165 -5.836 1.00 0.00 H new