USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 798 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 106 GLN : amide:sc= -4.28! K(o=-4.7!,f=-0.018) USER MOD Set 1.2: A 110 GLN : amide:sc= -0.391 K(o=-4.7,f=-0.018) USER MOD Set 2.1: A 46 ASN : amide:sc= -1.4 K(o=2.5,f=-18!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -162:sc= 2.11 (180deg=-0.935) USER MOD Set 2.3: A 112 SER OG : rot 12:sc= 1.74 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.547 USER MOD Single : A 22 GLN : amide:sc= -0.668 K(o=-0.67,f=-0.043) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.581) USER MOD Single : A 33 HIS : no HD1:sc= 0.717 K(o=0.8,f=-5!) USER MOD Single : A 35 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.574 (180deg=-1.5!) USER MOD Single : A 44 THR OG1 : rot 153:sc= 1.28 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 2.21 (180deg=1.48) USER MOD Single : A 58 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 60 SER OG : rot 73:sc= 0.993 USER MOD Single : A 67 SER OG : rot 74:sc= 1.26 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.653 K(o=-0.65,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= -0.0147 (180deg=-0.144) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00106) USER MOD Single : A 87 ASN : amide:sc= 1.08 K(o=1.1,f=-4.2!) USER MOD Single : A 94 THR OG1 : rot 65:sc= 1.32 USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.17) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.503) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 13.536 10.715 2.523 1.00 0.00 N ATOM 2 CA ASN A 18 12.089 10.686 2.241 1.00 0.00 C ATOM 3 C ASN A 18 11.814 10.270 0.799 1.00 0.00 C ATOM 4 O ASN A 18 10.671 10.344 0.334 1.00 0.00 O ATOM 5 CB ASN A 18 11.435 12.054 2.504 1.00 0.00 C ATOM 6 CG ASN A 18 11.536 12.518 3.935 1.00 0.00 C ATOM 7 OD1 ASN A 18 11.552 11.718 4.866 1.00 0.00 O ATOM 8 ND2 ASN A 18 11.614 13.811 4.124 1.00 0.00 N ATOM 0 HA ASN A 18 11.653 9.949 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.901 12.798 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.383 12.002 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.691 14.184 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.598 14.445 3.325 1.00 0.00 H new ATOM 17 N THR A 19 12.841 9.817 0.085 1.00 0.00 N ATOM 18 CA THR A 19 12.692 9.386 -1.297 1.00 0.00 C ATOM 19 C THR A 19 11.751 8.170 -1.375 1.00 0.00 C ATOM 20 O THR A 19 10.948 8.034 -2.314 1.00 0.00 O ATOM 21 CB THR A 19 14.073 9.017 -1.867 1.00 0.00 C ATOM 22 OG1 THR A 19 14.982 10.092 -1.594 1.00 0.00 O ATOM 23 CG2 THR A 19 14.004 8.794 -3.366 1.00 0.00 C ATOM 0 H THR A 19 13.792 9.740 0.447 1.00 0.00 H new ATOM 0 HA THR A 19 12.262 10.198 -1.882 1.00 0.00 H new ATOM 0 HB THR A 19 14.412 8.093 -1.398 1.00 0.00 H new ATOM 0 HG1 THR A 19 15.868 9.870 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.994 8.535 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.310 7.981 -3.581 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.658 9.705 -3.854 1.00 0.00 H new ATOM 31 N ALA A 20 11.849 7.315 -0.370 1.00 0.00 N ATOM 32 CA ALA A 20 11.002 6.143 -0.242 1.00 0.00 C ATOM 33 C ALA A 20 9.567 6.558 0.008 1.00 0.00 C ATOM 34 O ALA A 20 8.641 6.073 -0.641 1.00 0.00 O ATOM 35 CB ALA A 20 11.479 5.312 0.917 1.00 0.00 C ATOM 0 H ALA A 20 12.526 7.417 0.386 1.00 0.00 H new ATOM 0 HA ALA A 20 11.053 5.567 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.846 4.430 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.509 5.001 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.428 5.901 1.833 1.00 0.00 H new ATOM 41 N THR A 21 9.406 7.475 0.929 1.00 0.00 N ATOM 42 CA THR A 21 8.130 7.983 1.346 1.00 0.00 C ATOM 43 C THR A 21 7.422 8.647 0.168 1.00 0.00 C ATOM 44 O THR A 21 6.241 8.454 -0.043 1.00 0.00 O ATOM 45 CB THR A 21 8.385 9.031 2.397 1.00 0.00 C ATOM 46 OG1 THR A 21 9.693 8.777 2.973 1.00 0.00 O ATOM 47 CG2 THR A 21 7.333 8.970 3.488 1.00 0.00 C ATOM 0 H THR A 21 10.189 7.901 1.424 1.00 0.00 H new ATOM 0 HA THR A 21 7.509 7.172 1.726 1.00 0.00 H new ATOM 0 HB THR A 21 8.344 10.021 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.818 9.343 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.539 9.736 4.235 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.348 9.142 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.355 7.988 3.960 1.00 0.00 H new ATOM 55 N GLN A 22 8.188 9.395 -0.611 1.00 0.00 N ATOM 56 CA GLN A 22 7.700 10.089 -1.795 1.00 0.00 C ATOM 57 C GLN A 22 7.116 9.094 -2.815 1.00 0.00 C ATOM 58 O GLN A 22 6.108 9.370 -3.487 1.00 0.00 O ATOM 59 CB GLN A 22 8.849 10.914 -2.408 1.00 0.00 C ATOM 60 CG GLN A 22 8.479 11.696 -3.657 1.00 0.00 C ATOM 61 CD GLN A 22 7.328 12.665 -3.451 1.00 0.00 C ATOM 62 OE1 GLN A 22 6.567 12.929 -4.377 1.00 0.00 O ATOM 63 NE2 GLN A 22 7.202 13.224 -2.270 1.00 0.00 N ATOM 0 H GLN A 22 9.182 9.540 -0.436 1.00 0.00 H new ATOM 0 HA GLN A 22 6.893 10.765 -1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.217 11.612 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.672 10.241 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.352 12.251 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.215 10.995 -4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.851 12.984 -1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.456 13.899 -2.102 1.00 0.00 H new ATOM 72 N ARG A 23 7.735 7.940 -2.903 1.00 0.00 N ATOM 73 CA ARG A 23 7.285 6.901 -3.795 1.00 0.00 C ATOM 74 C ARG A 23 6.043 6.216 -3.221 1.00 0.00 C ATOM 75 O ARG A 23 5.078 5.957 -3.934 1.00 0.00 O ATOM 76 CB ARG A 23 8.412 5.886 -4.035 1.00 0.00 C ATOM 77 CG ARG A 23 8.051 4.745 -4.973 1.00 0.00 C ATOM 78 CD ARG A 23 9.244 3.841 -5.213 1.00 0.00 C ATOM 79 NE ARG A 23 8.929 2.708 -6.097 1.00 0.00 N ATOM 80 CZ ARG A 23 9.543 2.439 -7.264 1.00 0.00 C ATOM 81 NH1 ARG A 23 10.393 3.316 -7.800 1.00 0.00 N ATOM 82 NH2 ARG A 23 9.279 1.310 -7.911 1.00 0.00 N ATOM 0 H ARG A 23 8.563 7.697 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 23 7.017 7.345 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.276 6.412 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.716 5.467 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.231 4.166 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.698 5.148 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.054 4.424 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.605 3.461 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 23 8.185 2.075 -5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.582 4.199 -7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.854 3.104 -8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.610 0.645 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.745 1.108 -8.795 1.00 0.00 H new ATOM 96 N PHE A 24 6.030 6.010 -1.912 1.00 0.00 N ATOM 97 CA PHE A 24 4.929 5.282 -1.277 1.00 0.00 C ATOM 98 C PHE A 24 3.757 6.182 -0.957 1.00 0.00 C ATOM 99 O PHE A 24 2.690 5.725 -0.545 1.00 0.00 O ATOM 100 CB PHE A 24 5.406 4.490 -0.045 1.00 0.00 C ATOM 101 CG PHE A 24 6.097 3.185 -0.392 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.822 3.056 -1.565 1.00 0.00 C ATOM 103 CD2 PHE A 24 5.983 2.074 0.435 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.419 1.872 -1.903 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.579 0.882 0.089 1.00 0.00 C ATOM 106 CZ PHE A 24 7.297 0.781 -1.076 1.00 0.00 C ATOM 0 H PHE A 24 6.757 6.330 -1.272 1.00 0.00 H new ATOM 0 HA PHE A 24 4.569 4.554 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.090 5.111 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.549 4.279 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.918 3.905 -2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.423 2.146 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.986 1.795 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.481 0.023 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.766 -0.155 -1.343 1.00 0.00 H new ATOM 116 N HIS A 25 3.943 7.453 -1.198 1.00 0.00 N ATOM 117 CA HIS A 25 2.917 8.446 -0.990 1.00 0.00 C ATOM 118 C HIS A 25 1.777 8.260 -1.996 1.00 0.00 C ATOM 119 O HIS A 25 0.634 8.584 -1.704 1.00 0.00 O ATOM 120 CB HIS A 25 3.516 9.860 -1.067 1.00 0.00 C ATOM 121 CG HIS A 25 2.525 10.965 -0.860 1.00 0.00 C ATOM 122 ND1 HIS A 25 2.368 12.002 -1.734 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.653 11.190 0.140 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.448 12.817 -1.287 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.997 12.345 -0.148 1.00 0.00 N ATOM 0 H HIS A 25 4.822 7.835 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 25 2.499 8.317 0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.303 9.949 -0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.987 9.989 -2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.502 10.568 1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.116 13.723 -1.772 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.272 12.775 0.427 1.00 0.00 H new ATOM 134 N GLU A 26 2.086 7.704 -3.156 1.00 0.00 N ATOM 135 CA GLU A 26 1.059 7.437 -4.150 1.00 0.00 C ATOM 136 C GLU A 26 0.196 6.273 -3.703 1.00 0.00 C ATOM 137 O GLU A 26 -0.984 6.209 -3.987 1.00 0.00 O ATOM 138 CB GLU A 26 1.661 7.177 -5.529 1.00 0.00 C ATOM 139 CG GLU A 26 2.449 8.355 -6.069 1.00 0.00 C ATOM 140 CD GLU A 26 1.636 9.627 -6.101 1.00 0.00 C ATOM 141 OE1 GLU A 26 0.880 9.853 -7.062 1.00 0.00 O ATOM 142 OE2 GLU A 26 1.745 10.440 -5.167 1.00 0.00 O ATOM 0 H GLU A 26 3.030 7.431 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 26 0.433 8.325 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.314 6.306 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.861 6.933 -6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.335 8.509 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.797 8.124 -7.076 1.00 0.00 H new ATOM 149 N ILE A 27 0.790 5.384 -2.959 1.00 0.00 N ATOM 150 CA ILE A 27 0.087 4.230 -2.444 1.00 0.00 C ATOM 151 C ILE A 27 -0.747 4.666 -1.243 1.00 0.00 C ATOM 152 O ILE A 27 -1.860 4.217 -1.056 1.00 0.00 O ATOM 153 CB ILE A 27 1.049 3.023 -2.120 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.672 2.422 -3.417 1.00 0.00 C ATOM 155 CG2 ILE A 27 0.300 1.926 -1.379 1.00 0.00 C ATOM 156 CD1 ILE A 27 2.515 3.373 -4.256 1.00 0.00 C ATOM 0 H ILE A 27 1.773 5.433 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.579 3.844 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 27 1.851 3.412 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.291 1.570 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.864 2.038 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.980 1.102 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.095 2.323 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.523 1.566 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.896 2.846 -5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.902 4.215 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.351 3.739 -3.661 1.00 0.00 H new ATOM 168 N GLU A 28 -0.211 5.611 -0.483 1.00 0.00 N ATOM 169 CA GLU A 28 -0.943 6.272 0.606 1.00 0.00 C ATOM 170 C GLU A 28 -2.189 6.946 0.001 1.00 0.00 C ATOM 171 O GLU A 28 -3.286 6.886 0.548 1.00 0.00 O ATOM 172 CB GLU A 28 -0.013 7.326 1.235 1.00 0.00 C ATOM 173 CG GLU A 28 -0.628 8.217 2.310 1.00 0.00 C ATOM 174 CD GLU A 28 -1.115 7.466 3.522 1.00 0.00 C ATOM 175 OE1 GLU A 28 -0.336 6.676 4.108 1.00 0.00 O ATOM 176 OE2 GLU A 28 -2.257 7.679 3.933 1.00 0.00 O ATOM 0 H GLU A 28 0.745 5.947 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.253 5.562 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.844 6.811 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.368 7.965 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.112 8.953 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.463 8.768 1.877 1.00 0.00 H new ATOM 183 N LYS A 29 -1.983 7.525 -1.169 1.00 0.00 N ATOM 184 CA LYS A 29 -3.017 8.156 -1.964 1.00 0.00 C ATOM 185 C LYS A 29 -4.116 7.136 -2.316 1.00 0.00 C ATOM 186 O LYS A 29 -5.310 7.456 -2.292 1.00 0.00 O ATOM 187 CB LYS A 29 -2.361 8.745 -3.214 1.00 0.00 C ATOM 188 CG LYS A 29 -3.289 9.391 -4.204 1.00 0.00 C ATOM 189 CD LYS A 29 -2.526 9.994 -5.380 1.00 0.00 C ATOM 190 CE LYS A 29 -1.605 11.131 -4.933 1.00 0.00 C ATOM 191 NZ LYS A 29 -0.840 11.711 -6.057 1.00 0.00 N ATOM 0 H LYS A 29 -1.061 7.569 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.499 8.958 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.625 9.485 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.816 7.950 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.001 8.652 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.867 10.170 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.936 9.218 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.234 10.368 -6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.200 11.912 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.912 10.758 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.069 12.302 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.440 10.945 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.471 12.294 -6.642 1.00 0.00 H new ATOM 205 N PHE A 30 -3.705 5.911 -2.630 1.00 0.00 N ATOM 206 CA PHE A 30 -4.641 4.820 -2.862 1.00 0.00 C ATOM 207 C PHE A 30 -5.500 4.557 -1.644 1.00 0.00 C ATOM 208 O PHE A 30 -6.694 4.404 -1.778 1.00 0.00 O ATOM 209 CB PHE A 30 -3.947 3.532 -3.259 1.00 0.00 C ATOM 210 CG PHE A 30 -3.634 3.393 -4.724 1.00 0.00 C ATOM 211 CD1 PHE A 30 -2.512 3.975 -5.281 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.476 2.665 -5.542 1.00 0.00 C ATOM 213 CE1 PHE A 30 -2.233 3.834 -6.625 1.00 0.00 C ATOM 214 CE2 PHE A 30 -4.205 2.517 -6.883 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.081 3.101 -7.429 1.00 0.00 C ATOM 0 H PHE A 30 -2.724 5.650 -2.730 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.270 5.144 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.017 3.452 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.574 2.693 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.844 4.548 -4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.359 2.206 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.353 4.296 -7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.873 1.943 -7.508 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.866 2.985 -8.481 1.00 0.00 H new ATOM 225 N LEU A 31 -4.893 4.522 -0.458 1.00 0.00 N ATOM 226 CA LEU A 31 -5.641 4.282 0.795 1.00 0.00 C ATOM 227 C LEU A 31 -6.723 5.316 1.001 1.00 0.00 C ATOM 228 O LEU A 31 -7.855 4.988 1.420 1.00 0.00 O ATOM 229 CB LEU A 31 -4.729 4.216 2.038 1.00 0.00 C ATOM 230 CG LEU A 31 -3.999 2.889 2.300 1.00 0.00 C ATOM 231 CD1 LEU A 31 -3.001 2.551 1.220 1.00 0.00 C ATOM 232 CD2 LEU A 31 -3.332 2.895 3.658 1.00 0.00 C ATOM 0 H LEU A 31 -3.890 4.655 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.105 3.302 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.980 5.003 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.334 4.448 2.914 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.760 2.109 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.515 1.604 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.516 2.466 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.250 3.339 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.823 1.944 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.607 3.707 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.085 3.038 4.433 1.00 0.00 H new ATOM 244 N LEU A 32 -6.399 6.552 0.675 1.00 0.00 N ATOM 245 CA LEU A 32 -7.351 7.648 0.785 1.00 0.00 C ATOM 246 C LEU A 32 -8.494 7.380 -0.172 1.00 0.00 C ATOM 247 O LEU A 32 -9.673 7.421 0.195 1.00 0.00 O ATOM 248 CB LEU A 32 -6.702 8.972 0.379 1.00 0.00 C ATOM 249 CG LEU A 32 -5.328 9.265 0.955 1.00 0.00 C ATOM 250 CD1 LEU A 32 -4.795 10.574 0.395 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.351 9.298 2.478 1.00 0.00 C ATOM 0 H LEU A 32 -5.479 6.827 0.330 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.694 7.716 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.627 8.994 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.372 9.782 0.669 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.660 8.456 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.809 10.775 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.720 10.502 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.473 11.385 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.350 9.510 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.037 10.075 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.683 8.332 2.858 1.00 0.00 H new ATOM 263 N HIS A 33 -8.105 7.026 -1.372 1.00 0.00 N ATOM 264 CA HIS A 33 -9.017 6.702 -2.465 1.00 0.00 C ATOM 265 C HIS A 33 -9.947 5.528 -2.126 1.00 0.00 C ATOM 266 O HIS A 33 -11.147 5.603 -2.356 1.00 0.00 O ATOM 267 CB HIS A 33 -8.199 6.474 -3.773 1.00 0.00 C ATOM 268 CG HIS A 33 -8.791 5.524 -4.787 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.955 5.750 -5.469 1.00 0.00 N ATOM 270 CD2 HIS A 33 -8.349 4.313 -5.202 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.200 4.722 -6.257 1.00 0.00 C ATOM 272 NE2 HIS A 33 -9.243 3.843 -6.111 1.00 0.00 N ATOM 0 H HIS A 33 -7.122 6.950 -1.632 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.685 7.548 -2.626 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.054 7.440 -4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.212 6.104 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.451 3.813 -4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.051 4.622 -6.915 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.178 2.950 -6.600 1.00 0.00 H new ATOM 281 N ILE A 34 -9.394 4.475 -1.569 1.00 0.00 N ATOM 282 CA ILE A 34 -10.146 3.305 -1.216 1.00 0.00 C ATOM 283 C ILE A 34 -11.187 3.658 -0.166 1.00 0.00 C ATOM 284 O ILE A 34 -12.344 3.349 -0.333 1.00 0.00 O ATOM 285 CB ILE A 34 -9.190 2.180 -0.725 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.249 1.774 -1.869 1.00 0.00 C ATOM 287 CG2 ILE A 34 -9.972 0.964 -0.223 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.029 0.999 -1.424 1.00 0.00 C ATOM 0 H ILE A 34 -8.400 4.411 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.670 2.930 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.605 2.563 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.806 1.172 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.923 2.673 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.275 0.196 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.612 1.261 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.586 0.568 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.418 0.752 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.446 1.605 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.342 0.081 -0.928 1.00 0.00 H new ATOM 300 N THR A 35 -10.782 4.399 0.850 1.00 0.00 N ATOM 301 CA THR A 35 -11.698 4.792 1.910 1.00 0.00 C ATOM 302 C THR A 35 -12.817 5.709 1.349 1.00 0.00 C ATOM 303 O THR A 35 -14.000 5.537 1.667 1.00 0.00 O ATOM 304 CB THR A 35 -10.950 5.535 3.017 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.771 4.789 3.405 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.837 5.721 4.233 1.00 0.00 C ATOM 0 H THR A 35 -9.828 4.741 0.965 1.00 0.00 H new ATOM 0 HA THR A 35 -12.144 3.886 2.321 1.00 0.00 H new ATOM 0 HB THR A 35 -10.661 6.513 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.049 4.961 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.285 6.252 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.719 6.299 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.146 4.746 4.610 1.00 0.00 H new ATOM 314 N HIS A 36 -12.435 6.647 0.470 1.00 0.00 N ATOM 315 CA HIS A 36 -13.407 7.557 -0.148 1.00 0.00 C ATOM 316 C HIS A 36 -14.401 6.764 -0.966 1.00 0.00 C ATOM 317 O HIS A 36 -15.596 7.053 -0.971 1.00 0.00 O ATOM 318 CB HIS A 36 -12.738 8.611 -1.044 1.00 0.00 C ATOM 319 CG HIS A 36 -11.847 9.588 -0.339 1.00 0.00 C ATOM 320 ND1 HIS A 36 -10.712 10.118 -0.908 1.00 0.00 N ATOM 321 CD2 HIS A 36 -11.950 10.164 0.876 1.00 0.00 C ATOM 322 CE1 HIS A 36 -10.162 10.970 -0.079 1.00 0.00 C ATOM 323 NE2 HIS A 36 -10.891 11.020 1.011 1.00 0.00 N ATOM 0 H HIS A 36 -11.470 6.794 0.174 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.913 8.084 0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.152 8.096 -1.805 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.518 9.167 -1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.724 9.983 1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.260 11.536 -0.262 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.699 11.602 1.826 1.00 0.00 H new ATOM 332 N GLU A 37 -13.908 5.760 -1.635 1.00 0.00 N ATOM 333 CA GLU A 37 -14.731 4.888 -2.411 1.00 0.00 C ATOM 334 C GLU A 37 -15.624 4.006 -1.577 1.00 0.00 C ATOM 335 O GLU A 37 -16.693 3.637 -2.018 1.00 0.00 O ATOM 336 CB GLU A 37 -13.972 4.132 -3.473 1.00 0.00 C ATOM 337 CG GLU A 37 -14.150 4.743 -4.848 1.00 0.00 C ATOM 338 CD GLU A 37 -13.556 6.139 -5.027 1.00 0.00 C ATOM 339 OE1 GLU A 37 -13.937 7.089 -4.318 1.00 0.00 O ATOM 340 OE2 GLU A 37 -12.717 6.317 -5.927 1.00 0.00 O ATOM 0 H GLU A 37 -12.916 5.525 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.406 5.548 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.912 4.117 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.310 3.096 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.699 4.078 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.216 4.789 -5.071 1.00 0.00 H new ATOM 347 N VAL A 38 -15.179 3.657 -0.382 1.00 0.00 N ATOM 348 CA VAL A 38 -15.992 2.868 0.540 1.00 0.00 C ATOM 349 C VAL A 38 -17.237 3.691 0.892 1.00 0.00 C ATOM 350 O VAL A 38 -18.364 3.179 0.971 1.00 0.00 O ATOM 351 CB VAL A 38 -15.249 2.456 1.861 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.163 1.579 2.709 1.00 0.00 C ATOM 353 CG2 VAL A 38 -13.995 1.666 1.568 1.00 0.00 C ATOM 0 H VAL A 38 -14.257 3.906 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.242 1.934 0.036 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.983 3.373 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.646 1.294 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.068 2.132 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.429 0.683 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.507 1.398 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.255 0.759 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.317 2.270 0.965 1.00 0.00 H new ATOM 363 N ASP A 39 -17.027 4.979 1.054 1.00 0.00 N ATOM 364 CA ASP A 39 -18.130 5.897 1.293 1.00 0.00 C ATOM 365 C ASP A 39 -19.048 5.951 0.081 1.00 0.00 C ATOM 366 O ASP A 39 -20.303 5.831 0.182 1.00 0.00 O ATOM 367 CB ASP A 39 -17.617 7.299 1.608 1.00 0.00 C ATOM 368 CG ASP A 39 -18.700 8.365 1.490 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.589 8.444 2.364 1.00 0.00 O ATOM 370 OD2 ASP A 39 -18.652 9.169 0.535 1.00 0.00 O ATOM 0 H ASP A 39 -16.107 5.418 1.026 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.690 5.529 2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.209 7.313 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.799 7.542 0.930 1.00 0.00 H new ATOM 375 N ASP A 40 -18.418 6.048 -1.068 1.00 0.00 N ATOM 376 CA ASP A 40 -19.111 6.178 -2.305 1.00 0.00 C ATOM 377 C ASP A 40 -19.941 4.962 -2.560 1.00 0.00 C ATOM 378 O ASP A 40 -21.093 5.083 -2.848 1.00 0.00 O ATOM 379 CB ASP A 40 -18.148 6.410 -3.462 1.00 0.00 C ATOM 380 CG ASP A 40 -18.882 6.640 -4.756 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.196 7.808 -5.072 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.171 5.658 -5.468 1.00 0.00 O ATOM 0 H ASP A 40 -17.402 6.038 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.763 7.049 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.516 7.271 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.488 5.549 -3.565 1.00 0.00 H new ATOM 387 N LEU A 41 -19.366 3.789 -2.328 1.00 0.00 N ATOM 388 CA LEU A 41 -20.029 2.537 -2.596 1.00 0.00 C ATOM 389 C LEU A 41 -21.221 2.376 -1.729 1.00 0.00 C ATOM 390 O LEU A 41 -22.223 1.845 -2.150 1.00 0.00 O ATOM 391 CB LEU A 41 -19.073 1.319 -2.523 1.00 0.00 C ATOM 392 CG LEU A 41 -18.332 1.007 -1.216 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.225 0.372 -0.148 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.125 0.148 -1.498 1.00 0.00 C ATOM 0 H LEU A 41 -18.425 3.688 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.374 2.570 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.653 0.435 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.320 1.450 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.007 1.961 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.637 0.178 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.042 1.051 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.632 -0.566 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.606 -0.068 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.443 -0.786 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.452 0.676 -2.173 1.00 0.00 H new ATOM 406 N GLU A 42 -21.110 2.873 -0.516 1.00 0.00 N ATOM 407 CA GLU A 42 -22.172 2.798 0.432 1.00 0.00 C ATOM 408 C GLU A 42 -23.376 3.591 -0.096 1.00 0.00 C ATOM 409 O GLU A 42 -24.522 3.177 0.050 1.00 0.00 O ATOM 410 CB GLU A 42 -21.651 3.300 1.792 1.00 0.00 C ATOM 411 CG GLU A 42 -22.544 3.063 3.006 1.00 0.00 C ATOM 412 CD GLU A 42 -23.632 4.095 3.206 1.00 0.00 C ATOM 413 OE1 GLU A 42 -23.324 5.175 3.749 1.00 0.00 O ATOM 414 OE2 GLU A 42 -24.812 3.827 2.882 1.00 0.00 O ATOM 0 H GLU A 42 -20.272 3.340 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.514 1.773 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.688 2.826 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.468 4.371 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -23.007 2.081 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.919 3.037 3.899 1.00 0.00 H new ATOM 421 N LYS A 43 -23.103 4.675 -0.799 1.00 0.00 N ATOM 422 CA LYS A 43 -24.171 5.510 -1.337 1.00 0.00 C ATOM 423 C LYS A 43 -24.593 4.998 -2.700 1.00 0.00 C ATOM 424 O LYS A 43 -25.773 4.979 -3.054 1.00 0.00 O ATOM 425 CB LYS A 43 -23.709 6.961 -1.408 1.00 0.00 C ATOM 426 CG LYS A 43 -23.134 7.459 -0.086 1.00 0.00 C ATOM 427 CD LYS A 43 -24.124 7.320 1.070 1.00 0.00 C ATOM 428 CE LYS A 43 -25.116 8.496 1.182 1.00 0.00 C ATOM 429 NZ LYS A 43 -25.983 8.682 -0.004 1.00 0.00 N ATOM 0 H LYS A 43 -22.160 4.999 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.037 5.462 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -22.955 7.060 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.550 7.592 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.228 6.900 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.845 8.505 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.685 6.394 0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.569 7.235 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.747 8.341 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.554 9.414 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -26.828 9.225 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -25.460 9.199 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.271 7.753 -0.373 1.00 0.00 H new ATOM 443 N THR A 44 -23.632 4.537 -3.404 1.00 0.00 N ATOM 444 CA THR A 44 -23.752 3.964 -4.706 1.00 0.00 C ATOM 445 C THR A 44 -24.502 2.578 -4.677 1.00 0.00 C ATOM 446 O THR A 44 -24.913 2.052 -5.715 1.00 0.00 O ATOM 447 CB THR A 44 -22.312 3.895 -5.288 1.00 0.00 C ATOM 448 OG1 THR A 44 -21.827 5.221 -5.557 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.160 3.048 -6.502 1.00 0.00 C ATOM 0 H THR A 44 -22.668 4.546 -3.070 1.00 0.00 H new ATOM 0 HA THR A 44 -24.377 4.575 -5.357 1.00 0.00 H new ATOM 0 HB THR A 44 -21.715 3.407 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 44 -20.848 5.228 -5.504 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.121 3.065 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.450 2.023 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 44 -22.798 3.434 -7.297 1.00 0.00 H new ATOM 457 N GLY A 45 -24.723 2.020 -3.490 1.00 0.00 N ATOM 458 CA GLY A 45 -25.513 0.791 -3.417 1.00 0.00 C ATOM 459 C GLY A 45 -24.815 -0.361 -2.725 1.00 0.00 C ATOM 460 O GLY A 45 -25.471 -1.162 -2.046 1.00 0.00 O ATOM 0 H GLY A 45 -24.383 2.379 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.445 1.003 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.779 0.484 -4.428 1.00 0.00 H new ATOM 464 N ASN A 46 -23.503 -0.487 -2.951 1.00 0.00 N ATOM 465 CA ASN A 46 -22.647 -1.510 -2.303 1.00 0.00 C ATOM 466 C ASN A 46 -22.954 -2.911 -2.867 1.00 0.00 C ATOM 467 O ASN A 46 -22.556 -3.934 -2.326 1.00 0.00 O ATOM 468 CB ASN A 46 -22.806 -1.417 -0.743 1.00 0.00 C ATOM 469 CG ASN A 46 -22.008 -2.432 0.058 1.00 0.00 C ATOM 470 OD1 ASN A 46 -20.852 -2.229 0.323 1.00 0.00 O ATOM 471 ND2 ASN A 46 -22.641 -3.487 0.504 1.00 0.00 N ATOM 0 H ASN A 46 -22.992 0.119 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.598 -1.319 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.512 -0.417 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -23.861 -1.533 -0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.154 -4.163 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.621 -3.633 0.263 1.00 0.00 H new ATOM 478 N LYS A 47 -23.573 -2.927 -4.028 1.00 0.00 N ATOM 479 CA LYS A 47 -24.064 -4.164 -4.623 1.00 0.00 C ATOM 480 C LYS A 47 -22.920 -5.117 -5.040 1.00 0.00 C ATOM 481 O LYS A 47 -22.948 -6.304 -4.722 1.00 0.00 O ATOM 482 CB LYS A 47 -25.068 -3.863 -5.758 1.00 0.00 C ATOM 483 CG LYS A 47 -24.473 -3.227 -7.008 1.00 0.00 C ATOM 484 CD LYS A 47 -25.510 -2.478 -7.815 1.00 0.00 C ATOM 485 CE LYS A 47 -25.847 -1.128 -7.182 1.00 0.00 C ATOM 486 NZ LYS A 47 -24.683 -0.203 -7.184 1.00 0.00 N ATOM 0 H LYS A 47 -23.752 -2.093 -4.587 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.612 -4.713 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -25.557 -4.794 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -25.842 -3.202 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -23.674 -2.543 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -24.022 -4.001 -7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -25.141 -2.323 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -26.415 -3.080 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -26.674 -0.670 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -26.185 -1.283 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.998 0.753 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.975 -0.535 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.260 -0.179 -8.134 1.00 0.00 H new ATOM 500 N ASP A 48 -21.931 -4.589 -5.720 1.00 0.00 N ATOM 501 CA ASP A 48 -20.747 -5.356 -6.140 1.00 0.00 C ATOM 502 C ASP A 48 -19.479 -4.594 -5.765 1.00 0.00 C ATOM 503 O ASP A 48 -18.397 -5.167 -5.589 1.00 0.00 O ATOM 504 CB ASP A 48 -20.794 -5.578 -7.662 1.00 0.00 C ATOM 505 CG ASP A 48 -19.550 -6.233 -8.231 1.00 0.00 C ATOM 506 OD1 ASP A 48 -19.466 -7.477 -8.262 1.00 0.00 O ATOM 507 OD2 ASP A 48 -18.639 -5.518 -8.693 1.00 0.00 O ATOM 0 H ASP A 48 -21.910 -3.610 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.743 -6.322 -5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.659 -6.196 -7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -20.943 -4.617 -8.154 1.00 0.00 H new ATOM 512 N GLU A 49 -19.681 -3.318 -5.509 1.00 0.00 N ATOM 513 CA GLU A 49 -18.652 -2.325 -5.292 1.00 0.00 C ATOM 514 C GLU A 49 -17.777 -2.667 -4.118 1.00 0.00 C ATOM 515 O GLU A 49 -16.591 -2.405 -4.151 1.00 0.00 O ATOM 516 CB GLU A 49 -19.273 -0.925 -5.048 1.00 0.00 C ATOM 517 CG GLU A 49 -20.218 -0.364 -6.128 1.00 0.00 C ATOM 518 CD GLU A 49 -21.581 -1.028 -6.166 1.00 0.00 C ATOM 519 OE1 GLU A 49 -21.711 -2.077 -6.780 1.00 0.00 O ATOM 520 OE2 GLU A 49 -22.542 -0.512 -5.572 1.00 0.00 O ATOM 0 H GLU A 49 -20.620 -2.925 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 49 -18.044 -2.312 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.822 -0.961 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.457 -0.215 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.351 0.705 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.744 -0.476 -7.103 1.00 0.00 H new ATOM 527 N LYS A 50 -18.351 -3.248 -3.089 1.00 0.00 N ATOM 528 CA LYS A 50 -17.593 -3.512 -1.877 1.00 0.00 C ATOM 529 C LYS A 50 -16.509 -4.517 -2.148 1.00 0.00 C ATOM 530 O LYS A 50 -15.343 -4.264 -1.903 1.00 0.00 O ATOM 531 CB LYS A 50 -18.512 -4.049 -0.789 1.00 0.00 C ATOM 532 CG LYS A 50 -17.957 -3.970 0.623 1.00 0.00 C ATOM 533 CD LYS A 50 -17.775 -2.527 0.992 1.00 0.00 C ATOM 534 CE LYS A 50 -18.191 -2.256 2.411 1.00 0.00 C ATOM 535 NZ LYS A 50 -19.596 -2.606 2.653 1.00 0.00 N ATOM 0 H LYS A 50 -19.326 -3.545 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.143 -2.577 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.452 -3.498 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.745 -5.090 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.637 -4.456 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.005 -4.498 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.730 -2.247 0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.360 -1.903 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.555 -2.824 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.037 -1.201 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.927 -2.136 3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.175 -2.294 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.683 -3.636 2.763 1.00 0.00 H new ATOM 549 N ALA A 51 -16.897 -5.587 -2.745 1.00 0.00 N ATOM 550 CA ALA A 51 -15.985 -6.663 -3.070 1.00 0.00 C ATOM 551 C ALA A 51 -15.036 -6.223 -4.167 1.00 0.00 C ATOM 552 O ALA A 51 -13.857 -6.596 -4.185 1.00 0.00 O ATOM 553 CB ALA A 51 -16.757 -7.899 -3.495 1.00 0.00 C ATOM 0 H ALA A 51 -17.861 -5.757 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.402 -6.913 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.058 -8.700 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.408 -8.219 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.360 -7.667 -4.373 1.00 0.00 H new ATOM 559 N ARG A 52 -15.552 -5.410 -5.057 1.00 0.00 N ATOM 560 CA ARG A 52 -14.801 -4.901 -6.172 1.00 0.00 C ATOM 561 C ARG A 52 -13.684 -3.984 -5.674 1.00 0.00 C ATOM 562 O ARG A 52 -12.514 -4.164 -6.033 1.00 0.00 O ATOM 563 CB ARG A 52 -15.745 -4.152 -7.119 1.00 0.00 C ATOM 564 CG ARG A 52 -15.204 -3.903 -8.514 1.00 0.00 C ATOM 565 CD ARG A 52 -14.914 -5.217 -9.227 1.00 0.00 C ATOM 566 NE ARG A 52 -16.092 -6.107 -9.257 1.00 0.00 N ATOM 567 CZ ARG A 52 -16.112 -7.347 -9.747 1.00 0.00 C ATOM 568 NH1 ARG A 52 -15.019 -7.865 -10.292 1.00 0.00 N ATOM 569 NH2 ARG A 52 -17.235 -8.065 -9.687 1.00 0.00 N ATOM 0 H ARG A 52 -16.517 -5.081 -5.024 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.343 -5.727 -6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.673 -4.718 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.997 -3.192 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.925 -3.324 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.293 -3.308 -8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.590 -5.011 -10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.089 -5.725 -8.727 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.963 -5.743 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.161 -7.315 -10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.036 -8.814 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.074 -7.665 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.254 -9.014 -10.061 1.00 0.00 H new ATOM 583 N LEU A 53 -14.025 -3.053 -4.791 1.00 0.00 N ATOM 584 CA LEU A 53 -13.062 -2.135 -4.285 1.00 0.00 C ATOM 585 C LEU A 53 -12.044 -2.848 -3.384 1.00 0.00 C ATOM 586 O LEU A 53 -10.851 -2.521 -3.378 1.00 0.00 O ATOM 587 CB LEU A 53 -13.756 -1.031 -3.537 1.00 0.00 C ATOM 588 CG LEU A 53 -12.830 -0.107 -2.828 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.013 0.739 -3.807 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.547 0.728 -1.815 1.00 0.00 C ATOM 0 H LEU A 53 -14.968 -2.929 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.516 -1.704 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.361 -0.456 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.440 -1.471 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.118 -0.722 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.349 1.400 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.420 0.085 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.687 1.335 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.836 1.389 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.312 1.325 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.016 0.079 -1.075 1.00 0.00 H new ATOM 602 N LEU A 54 -12.511 -3.834 -2.646 1.00 0.00 N ATOM 603 CA LEU A 54 -11.639 -4.629 -1.804 1.00 0.00 C ATOM 604 C LEU A 54 -10.608 -5.368 -2.633 1.00 0.00 C ATOM 605 O LEU A 54 -9.460 -5.566 -2.204 1.00 0.00 O ATOM 606 CB LEU A 54 -12.431 -5.565 -0.901 1.00 0.00 C ATOM 607 CG LEU A 54 -13.312 -4.853 0.122 1.00 0.00 C ATOM 608 CD1 LEU A 54 -14.106 -5.837 0.957 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.475 -3.926 0.994 1.00 0.00 C ATOM 0 H LEU A 54 -13.494 -4.105 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.097 -3.949 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.059 -6.205 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.735 -6.217 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.035 -4.245 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.721 -5.293 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.747 -6.432 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.422 -6.495 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.120 -3.427 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.719 -4.507 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.987 -3.180 0.367 1.00 0.00 H new ATOM 621 N ARG A 55 -10.994 -5.755 -3.823 1.00 0.00 N ATOM 622 CA ARG A 55 -10.076 -6.418 -4.710 1.00 0.00 C ATOM 623 C ARG A 55 -9.021 -5.427 -5.177 1.00 0.00 C ATOM 624 O ARG A 55 -7.843 -5.759 -5.244 1.00 0.00 O ATOM 625 CB ARG A 55 -10.804 -7.089 -5.869 1.00 0.00 C ATOM 626 CG ARG A 55 -9.885 -7.787 -6.858 1.00 0.00 C ATOM 627 CD ARG A 55 -10.668 -8.664 -7.805 1.00 0.00 C ATOM 628 NE ARG A 55 -11.324 -9.774 -7.091 1.00 0.00 N ATOM 629 CZ ARG A 55 -11.738 -10.917 -7.645 1.00 0.00 C ATOM 630 NH1 ARG A 55 -11.596 -11.130 -8.949 1.00 0.00 N ATOM 631 NH2 ARG A 55 -12.286 -11.849 -6.880 1.00 0.00 N ATOM 0 H ARG A 55 -11.934 -5.623 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.572 -7.221 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.509 -7.817 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.389 -6.338 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.325 -7.044 -7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.156 -8.391 -6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.420 -8.066 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.001 -9.064 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.475 -9.660 -6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.167 -10.417 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.916 -12.007 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.389 -11.691 -5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.605 -12.725 -7.293 1.00 0.00 H new ATOM 645 N GLU A 56 -9.440 -4.191 -5.403 1.00 0.00 N ATOM 646 CA GLU A 56 -8.525 -3.134 -5.783 1.00 0.00 C ATOM 647 C GLU A 56 -7.479 -2.860 -4.684 1.00 0.00 C ATOM 648 O GLU A 56 -6.300 -2.600 -4.986 1.00 0.00 O ATOM 649 CB GLU A 56 -9.281 -1.859 -6.186 1.00 0.00 C ATOM 650 CG GLU A 56 -8.380 -0.663 -6.413 1.00 0.00 C ATOM 651 CD GLU A 56 -9.067 0.479 -7.097 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.707 1.299 -6.424 1.00 0.00 O ATOM 653 OE2 GLU A 56 -8.963 0.590 -8.349 1.00 0.00 O ATOM 0 H GLU A 56 -10.414 -3.898 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.977 -3.476 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.846 -2.055 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.005 -1.615 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.993 -0.322 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.522 -0.972 -7.011 1.00 0.00 H new ATOM 660 N LEU A 57 -7.867 -2.972 -3.412 1.00 0.00 N ATOM 661 CA LEU A 57 -6.896 -2.760 -2.355 1.00 0.00 C ATOM 662 C LEU A 57 -5.933 -3.918 -2.307 1.00 0.00 C ATOM 663 O LEU A 57 -4.773 -3.744 -2.036 1.00 0.00 O ATOM 664 CB LEU A 57 -7.528 -2.410 -0.971 1.00 0.00 C ATOM 665 CG LEU A 57 -8.346 -3.453 -0.178 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.463 -4.523 0.471 1.00 0.00 C ATOM 667 CD2 LEU A 57 -9.162 -2.742 0.879 1.00 0.00 C ATOM 0 H LEU A 57 -8.812 -3.200 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.330 -1.862 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.714 -2.084 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.177 -1.548 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.000 -3.969 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.089 -5.230 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.905 -5.052 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.766 -4.049 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.742 -3.472 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.495 -2.208 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.838 -2.033 0.401 1.00 0.00 H new ATOM 679 N THR A 58 -6.432 -5.087 -2.649 1.00 0.00 N ATOM 680 CA THR A 58 -5.645 -6.288 -2.730 1.00 0.00 C ATOM 681 C THR A 58 -4.584 -6.150 -3.867 1.00 0.00 C ATOM 682 O THR A 58 -3.431 -6.623 -3.755 1.00 0.00 O ATOM 683 CB THR A 58 -6.573 -7.508 -2.957 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.582 -7.529 -1.910 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.791 -8.816 -2.915 1.00 0.00 C ATOM 0 H THR A 58 -7.415 -5.226 -2.882 1.00 0.00 H new ATOM 0 HA THR A 58 -5.111 -6.444 -1.793 1.00 0.00 H new ATOM 0 HB THR A 58 -7.033 -7.414 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.278 -6.870 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.471 -9.652 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.030 -8.810 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.312 -8.922 -1.942 1.00 0.00 H new ATOM 693 N VAL A 59 -4.976 -5.476 -4.936 1.00 0.00 N ATOM 694 CA VAL A 59 -4.068 -5.183 -6.037 1.00 0.00 C ATOM 695 C VAL A 59 -3.020 -4.158 -5.558 1.00 0.00 C ATOM 696 O VAL A 59 -1.828 -4.317 -5.781 1.00 0.00 O ATOM 697 CB VAL A 59 -4.831 -4.626 -7.281 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.889 -4.386 -8.443 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.939 -5.567 -7.709 1.00 0.00 C ATOM 0 H VAL A 59 -5.923 -5.119 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.580 -6.109 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.272 -3.674 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.451 -3.999 -9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.128 -3.662 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.409 -5.324 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.453 -5.153 -8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.513 -6.537 -7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.649 -5.689 -6.891 1.00 0.00 H new ATOM 709 N SER A 60 -3.481 -3.148 -4.828 1.00 0.00 N ATOM 710 CA SER A 60 -2.604 -2.101 -4.272 1.00 0.00 C ATOM 711 C SER A 60 -1.610 -2.708 -3.281 1.00 0.00 C ATOM 712 O SER A 60 -0.420 -2.319 -3.172 1.00 0.00 O ATOM 713 CB SER A 60 -3.460 -1.016 -3.610 1.00 0.00 C ATOM 714 OG SER A 60 -4.441 -0.527 -4.527 1.00 0.00 O ATOM 0 H SER A 60 -4.468 -3.024 -4.601 1.00 0.00 H new ATOM 0 HA SER A 60 -2.028 -1.644 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.950 -1.421 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.824 -0.196 -3.276 1.00 0.00 H new ATOM 0 HG SER A 60 -5.144 -1.200 -4.644 1.00 0.00 H new ATOM 720 N GLU A 61 -2.094 -3.723 -2.678 1.00 0.00 N ATOM 721 CA GLU A 61 -1.397 -4.493 -1.677 1.00 0.00 C ATOM 722 C GLU A 61 -0.247 -5.218 -2.381 1.00 0.00 C ATOM 723 O GLU A 61 0.868 -5.320 -1.871 1.00 0.00 O ATOM 724 CB GLU A 61 -2.384 -5.506 -1.092 1.00 0.00 C ATOM 725 CG GLU A 61 -1.964 -6.177 0.175 1.00 0.00 C ATOM 726 CD GLU A 61 -2.872 -7.322 0.542 1.00 0.00 C ATOM 727 OE1 GLU A 61 -3.938 -7.108 1.140 1.00 0.00 O ATOM 728 OE2 GLU A 61 -2.531 -8.480 0.224 1.00 0.00 O ATOM 0 H GLU A 61 -3.034 -4.072 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.005 -3.868 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.332 -4.998 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.571 -6.275 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.944 -6.545 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.957 -5.448 0.985 1.00 0.00 H new ATOM 735 N ALA A 62 -0.536 -5.654 -3.599 1.00 0.00 N ATOM 736 CA ALA A 62 0.424 -6.337 -4.434 1.00 0.00 C ATOM 737 C ALA A 62 1.508 -5.385 -4.956 1.00 0.00 C ATOM 738 O ALA A 62 2.638 -5.824 -5.237 1.00 0.00 O ATOM 739 CB ALA A 62 -0.264 -7.073 -5.567 1.00 0.00 C ATOM 0 H ALA A 62 -1.452 -5.540 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 62 0.926 -7.079 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.483 -7.578 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.955 -7.809 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.816 -6.361 -6.181 1.00 0.00 H new ATOM 745 N PHE A 63 1.185 -4.082 -5.112 1.00 0.00 N ATOM 746 CA PHE A 63 2.246 -3.114 -5.511 1.00 0.00 C ATOM 747 C PHE A 63 3.266 -3.065 -4.407 1.00 0.00 C ATOM 748 O PHE A 63 4.475 -3.032 -4.659 1.00 0.00 O ATOM 749 CB PHE A 63 1.755 -1.667 -5.752 1.00 0.00 C ATOM 750 CG PHE A 63 0.483 -1.551 -6.492 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.145 -2.447 -7.484 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.412 -0.571 -6.138 1.00 0.00 C ATOM 753 CE1 PHE A 63 -1.072 -2.380 -8.082 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.621 -0.483 -6.754 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.956 -1.397 -7.709 1.00 0.00 C ATOM 0 H PHE A 63 0.255 -3.686 -4.978 1.00 0.00 H new ATOM 0 HA PHE A 63 2.640 -3.472 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.642 -1.173 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.526 -1.125 -6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.852 -3.206 -7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.153 0.136 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.343 -3.094 -8.845 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.311 0.305 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.928 -1.347 -8.178 1.00 0.00 H new ATOM 765 N ILE A 64 2.772 -3.064 -3.165 1.00 0.00 N ATOM 766 CA ILE A 64 3.651 -3.100 -2.002 1.00 0.00 C ATOM 767 C ILE A 64 4.525 -4.350 -2.024 1.00 0.00 C ATOM 768 O ILE A 64 5.726 -4.261 -1.832 1.00 0.00 O ATOM 769 CB ILE A 64 2.875 -2.986 -0.657 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.242 -1.596 -0.522 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.779 -3.283 0.545 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.250 -0.447 -0.495 1.00 0.00 C ATOM 0 H ILE A 64 1.776 -3.039 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 64 4.294 -2.222 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 64 2.084 -3.736 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.554 -1.441 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.650 -1.566 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.202 -3.193 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.174 -4.295 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.605 -2.572 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.720 0.500 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.924 -0.574 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.826 -0.447 -1.420 1.00 0.00 H new ATOM 784 N GLU A 65 3.924 -5.487 -2.315 1.00 0.00 N ATOM 785 CA GLU A 65 4.654 -6.762 -2.418 1.00 0.00 C ATOM 786 C GLU A 65 5.784 -6.686 -3.440 1.00 0.00 C ATOM 787 O GLU A 65 6.924 -7.087 -3.156 1.00 0.00 O ATOM 788 CB GLU A 65 3.694 -7.881 -2.789 1.00 0.00 C ATOM 789 CG GLU A 65 2.639 -8.122 -1.740 1.00 0.00 C ATOM 790 CD GLU A 65 3.257 -8.491 -0.426 1.00 0.00 C ATOM 791 OE1 GLU A 65 3.609 -7.605 0.356 1.00 0.00 O ATOM 792 OE2 GLU A 65 3.436 -9.694 -0.158 1.00 0.00 O ATOM 0 H GLU A 65 2.922 -5.567 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 65 5.099 -6.969 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.210 -7.638 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.259 -8.800 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.030 -7.226 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.972 -8.919 -2.068 1.00 0.00 H new ATOM 799 N GLY A 66 5.482 -6.116 -4.592 1.00 0.00 N ATOM 800 CA GLY A 66 6.478 -5.951 -5.625 1.00 0.00 C ATOM 801 C GLY A 66 7.571 -5.011 -5.186 1.00 0.00 C ATOM 802 O GLY A 66 8.765 -5.255 -5.423 1.00 0.00 O ATOM 0 H GLY A 66 4.556 -5.761 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.908 -6.920 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.007 -5.567 -6.530 1.00 0.00 H new ATOM 806 N SER A 67 7.176 -3.974 -4.484 1.00 0.00 N ATOM 807 CA SER A 67 8.094 -2.992 -4.004 1.00 0.00 C ATOM 808 C SER A 67 8.966 -3.587 -2.905 1.00 0.00 C ATOM 809 O SER A 67 10.141 -3.259 -2.792 1.00 0.00 O ATOM 810 CB SER A 67 7.341 -1.769 -3.501 1.00 0.00 C ATOM 811 OG SER A 67 6.499 -1.242 -4.519 1.00 0.00 O ATOM 0 H SER A 67 6.203 -3.796 -4.234 1.00 0.00 H new ATOM 0 HA SER A 67 8.741 -2.678 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.743 -2.037 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.050 -1.007 -3.178 1.00 0.00 H new ATOM 0 HG SER A 67 5.719 -1.825 -4.633 1.00 0.00 H new ATOM 817 N ARG A 68 8.412 -4.511 -2.134 1.00 0.00 N ATOM 818 CA ARG A 68 9.180 -5.139 -1.083 1.00 0.00 C ATOM 819 C ARG A 68 10.256 -5.994 -1.668 1.00 0.00 C ATOM 820 O ARG A 68 11.388 -6.012 -1.172 1.00 0.00 O ATOM 821 CB ARG A 68 8.352 -5.927 -0.060 1.00 0.00 C ATOM 822 CG ARG A 68 7.312 -5.130 0.713 1.00 0.00 C ATOM 823 CD ARG A 68 6.683 -5.973 1.831 1.00 0.00 C ATOM 824 NE ARG A 68 6.046 -7.214 1.345 1.00 0.00 N ATOM 825 CZ ARG A 68 6.506 -8.465 1.563 1.00 0.00 C ATOM 826 NH1 ARG A 68 7.641 -8.659 2.227 1.00 0.00 N ATOM 827 NH2 ARG A 68 5.816 -9.514 1.132 1.00 0.00 N ATOM 0 H ARG A 68 7.448 -4.835 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 68 9.621 -4.320 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.845 -6.739 -0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.035 -6.385 0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.776 -4.242 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.534 -4.786 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.453 -6.230 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.939 -5.372 2.353 1.00 0.00 H new ATOM 0 HE ARG A 68 5.189 -7.118 0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.171 -7.860 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.982 -9.607 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.936 -9.376 0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.166 -10.458 1.298 1.00 0.00 H new ATOM 841 N GLY A 69 9.920 -6.676 -2.733 1.00 0.00 N ATOM 842 CA GLY A 69 10.893 -7.441 -3.429 1.00 0.00 C ATOM 843 C GLY A 69 11.935 -6.539 -4.055 1.00 0.00 C ATOM 844 O GLY A 69 13.102 -6.866 -4.070 1.00 0.00 O ATOM 0 H GLY A 69 8.980 -6.710 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.373 -8.138 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.409 -8.037 -4.202 1.00 0.00 H new ATOM 848 N TYR A 70 11.509 -5.351 -4.437 1.00 0.00 N ATOM 849 CA TYR A 70 12.353 -4.412 -5.179 1.00 0.00 C ATOM 850 C TYR A 70 13.425 -3.874 -4.276 1.00 0.00 C ATOM 851 O TYR A 70 14.612 -3.957 -4.576 1.00 0.00 O ATOM 852 CB TYR A 70 11.482 -3.258 -5.716 1.00 0.00 C ATOM 853 CG TYR A 70 12.178 -2.212 -6.581 1.00 0.00 C ATOM 854 CD1 TYR A 70 12.906 -1.149 -6.022 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.064 -2.263 -7.956 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.488 -0.188 -6.827 1.00 0.00 C ATOM 857 CE2 TYR A 70 12.651 -1.312 -8.756 1.00 0.00 C ATOM 858 CZ TYR A 70 13.357 -0.280 -8.193 1.00 0.00 C ATOM 859 OH TYR A 70 13.914 0.683 -9.010 1.00 0.00 O ATOM 0 H TYR A 70 10.570 -5.002 -4.246 1.00 0.00 H new ATOM 0 HA TYR A 70 12.824 -4.925 -6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.667 -3.690 -6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.032 -2.748 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.012 -1.082 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.503 -3.065 -8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.041 0.629 -6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.556 -1.378 -9.830 1.00 0.00 H new ATOM 0 HH TYR A 70 13.728 0.464 -9.947 1.00 0.00 H new ATOM 869 N PHE A 71 12.996 -3.379 -3.151 1.00 0.00 N ATOM 870 CA PHE A 71 13.869 -2.772 -2.202 1.00 0.00 C ATOM 871 C PHE A 71 14.824 -3.764 -1.613 1.00 0.00 C ATOM 872 O PHE A 71 15.987 -3.460 -1.396 1.00 0.00 O ATOM 873 CB PHE A 71 13.113 -1.930 -1.184 1.00 0.00 C ATOM 874 CG PHE A 71 12.525 -0.706 -1.830 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.353 0.298 -2.286 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.167 -0.575 -2.017 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.843 1.415 -2.910 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.647 0.535 -2.645 1.00 0.00 C ATOM 879 CZ PHE A 71 11.487 1.534 -3.089 1.00 0.00 C ATOM 0 H PHE A 71 12.016 -3.388 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 71 14.499 -2.057 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.319 -2.525 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.786 -1.634 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.421 0.207 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.502 -1.351 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.507 2.193 -3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.580 0.623 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.080 2.408 -3.576 1.00 0.00 H new ATOM 889 N GLN A 72 14.323 -4.957 -1.365 1.00 0.00 N ATOM 890 CA GLN A 72 15.138 -6.046 -0.888 1.00 0.00 C ATOM 891 C GLN A 72 16.273 -6.351 -1.897 1.00 0.00 C ATOM 892 O GLN A 72 17.414 -6.605 -1.496 1.00 0.00 O ATOM 893 CB GLN A 72 14.275 -7.278 -0.659 1.00 0.00 C ATOM 894 CG GLN A 72 15.034 -8.440 -0.077 1.00 0.00 C ATOM 895 CD GLN A 72 14.195 -9.692 0.100 1.00 0.00 C ATOM 896 OE1 GLN A 72 14.707 -10.805 0.018 1.00 0.00 O ATOM 897 NE2 GLN A 72 12.921 -9.536 0.362 1.00 0.00 N ATOM 0 H GLN A 72 13.339 -5.195 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 72 15.594 -5.760 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.454 -7.018 0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.830 -7.582 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.881 -8.670 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.442 -8.148 0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.524 -8.598 0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.326 -10.352 0.504 1.00 0.00 H new ATOM 906 N ARG A 73 15.955 -6.300 -3.200 1.00 0.00 N ATOM 907 CA ARG A 73 16.967 -6.510 -4.245 1.00 0.00 C ATOM 908 C ARG A 73 17.939 -5.350 -4.291 1.00 0.00 C ATOM 909 O ARG A 73 19.134 -5.555 -4.359 1.00 0.00 O ATOM 910 CB ARG A 73 16.349 -6.754 -5.641 1.00 0.00 C ATOM 911 CG ARG A 73 15.961 -8.201 -5.981 1.00 0.00 C ATOM 912 CD ARG A 73 15.034 -8.820 -4.968 1.00 0.00 C ATOM 913 NE ARG A 73 14.566 -10.150 -5.360 1.00 0.00 N ATOM 914 CZ ARG A 73 13.505 -10.768 -4.824 1.00 0.00 C ATOM 915 NH1 ARG A 73 12.777 -10.154 -3.895 1.00 0.00 N ATOM 916 NH2 ARG A 73 13.170 -11.984 -5.233 1.00 0.00 N ATOM 0 H ARG A 73 15.015 -6.117 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 73 17.507 -7.418 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.458 -6.133 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 73 17.058 -6.406 -6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.484 -8.222 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.865 -8.805 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.547 -8.889 -4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.174 -8.166 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 73 15.082 -10.640 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.027 -9.213 -3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.969 -10.624 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.720 -12.449 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.362 -12.455 -4.825 1.00 0.00 H new ATOM 930 N GLU A 74 17.424 -4.147 -4.231 1.00 0.00 N ATOM 931 CA GLU A 74 18.259 -2.948 -4.225 1.00 0.00 C ATOM 932 C GLU A 74 19.181 -2.903 -3.022 1.00 0.00 C ATOM 933 O GLU A 74 20.266 -2.350 -3.085 1.00 0.00 O ATOM 934 CB GLU A 74 17.433 -1.672 -4.334 1.00 0.00 C ATOM 935 CG GLU A 74 16.733 -1.518 -5.668 1.00 0.00 C ATOM 936 CD GLU A 74 17.703 -1.500 -6.827 1.00 0.00 C ATOM 937 OE1 GLU A 74 18.241 -0.418 -7.152 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.929 -2.565 -7.448 1.00 0.00 O ATOM 0 H GLU A 74 16.422 -3.960 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 74 18.886 -3.006 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.688 -1.662 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.084 -0.812 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.026 -2.337 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.154 -0.594 -5.667 1.00 0.00 H new ATOM 945 N LEU A 75 18.757 -3.493 -1.941 1.00 0.00 N ATOM 946 CA LEU A 75 19.556 -3.541 -0.744 1.00 0.00 C ATOM 947 C LEU A 75 20.848 -4.402 -0.943 1.00 0.00 C ATOM 948 O LEU A 75 21.800 -4.288 -0.165 1.00 0.00 O ATOM 949 CB LEU A 75 18.693 -4.028 0.434 1.00 0.00 C ATOM 950 CG LEU A 75 19.312 -3.959 1.834 1.00 0.00 C ATOM 951 CD1 LEU A 75 19.753 -2.547 2.154 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.307 -4.413 2.873 1.00 0.00 C ATOM 0 H LEU A 75 17.851 -3.954 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 75 19.906 -2.535 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.773 -3.443 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.411 -5.063 0.240 1.00 0.00 H new ATOM 0 HG LEU A 75 20.180 -4.617 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 75 20.190 -2.520 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 75 20.495 -2.223 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 75 18.892 -1.880 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.758 -4.360 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.430 -3.766 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 75 18.008 -5.440 2.665 1.00 0.00 H new ATOM 964 N LYS A 76 20.894 -5.221 -2.009 1.00 0.00 N ATOM 965 CA LYS A 76 22.071 -6.069 -2.277 1.00 0.00 C ATOM 966 C LYS A 76 23.022 -5.377 -3.292 1.00 0.00 C ATOM 967 O LYS A 76 24.110 -5.881 -3.576 1.00 0.00 O ATOM 968 CB LYS A 76 21.659 -7.444 -2.848 1.00 0.00 C ATOM 969 CG LYS A 76 21.413 -7.419 -4.354 1.00 0.00 C ATOM 970 CD LYS A 76 20.935 -8.733 -4.898 1.00 0.00 C ATOM 971 CE LYS A 76 20.908 -8.693 -6.421 1.00 0.00 C ATOM 972 NZ LYS A 76 20.041 -7.610 -6.959 1.00 0.00 N ATOM 0 H LYS A 76 20.141 -5.314 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 76 22.583 -6.216 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.440 -8.171 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.754 -7.783 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.676 -6.649 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.336 -7.137 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.591 -9.535 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.938 -8.953 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.923 -8.557 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.556 -9.653 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.954 -7.715 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.098 -7.671 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.464 -6.686 -6.740 1.00 0.00 H new ATOM 986 N ARG A 77 22.577 -4.227 -3.819 1.00 0.00 N ATOM 987 CA ARG A 77 23.153 -3.505 -4.983 1.00 0.00 C ATOM 988 C ARG A 77 24.661 -3.259 -4.913 1.00 0.00 C ATOM 989 O ARG A 77 25.281 -2.998 -5.932 1.00 0.00 O ATOM 990 CB ARG A 77 22.428 -2.163 -5.098 1.00 0.00 C ATOM 991 CG ARG A 77 22.775 -1.298 -6.285 1.00 0.00 C ATOM 992 CD ARG A 77 21.899 -0.071 -6.290 1.00 0.00 C ATOM 993 NE ARG A 77 22.283 0.881 -7.317 1.00 0.00 N ATOM 994 CZ ARG A 77 21.433 1.536 -8.102 1.00 0.00 C ATOM 995 NH1 ARG A 77 20.144 1.208 -8.128 1.00 0.00 N ATOM 996 NH2 ARG A 77 21.876 2.495 -8.893 1.00 0.00 N ATOM 0 H ARG A 77 21.766 -3.744 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 77 23.009 -4.143 -5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.356 -2.358 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.628 -1.591 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.825 -1.008 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 77 22.637 -1.859 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.862 -0.369 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.950 0.412 -5.314 1.00 0.00 H new ATOM 0 HE ARG A 77 23.279 1.061 -7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.799 0.448 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.500 1.717 -8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.868 2.732 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.226 2.999 -9.496 1.00 0.00 H new ATOM 1010 N THR A 78 25.237 -3.326 -3.723 1.00 0.00 N ATOM 1011 CA THR A 78 26.655 -3.054 -3.491 1.00 0.00 C ATOM 1012 C THR A 78 26.923 -1.536 -3.531 1.00 0.00 C ATOM 1013 O THR A 78 27.547 -0.980 -2.627 1.00 0.00 O ATOM 1014 CB THR A 78 27.572 -3.822 -4.493 1.00 0.00 C ATOM 1015 OG1 THR A 78 27.296 -5.240 -4.414 1.00 0.00 O ATOM 1016 CG2 THR A 78 29.033 -3.580 -4.201 1.00 0.00 C ATOM 0 H THR A 78 24.728 -3.575 -2.875 1.00 0.00 H new ATOM 0 HA THR A 78 26.905 -3.422 -2.496 1.00 0.00 H new ATOM 0 HB THR A 78 27.359 -3.453 -5.496 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.871 -5.721 -5.045 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.643 -4.130 -4.918 1.00 0.00 H new ATOM 0 HG22 THR A 78 29.249 -2.515 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 78 29.264 -3.921 -3.192 1.00 0.00 H new ATOM 1024 N ASP A 79 26.390 -0.864 -4.533 1.00 0.00 N ATOM 1025 CA ASP A 79 26.539 0.575 -4.644 1.00 0.00 C ATOM 1026 C ASP A 79 25.380 1.298 -3.977 1.00 0.00 C ATOM 1027 O ASP A 79 24.421 1.753 -4.601 1.00 0.00 O ATOM 1028 CB ASP A 79 26.851 1.086 -6.081 1.00 0.00 C ATOM 1029 CG ASP A 79 25.846 0.705 -7.157 1.00 0.00 C ATOM 1030 OD1 ASP A 79 24.892 1.462 -7.404 1.00 0.00 O ATOM 1031 OD2 ASP A 79 26.035 -0.325 -7.817 1.00 0.00 O ATOM 0 H ASP A 79 25.849 -1.292 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 79 27.442 0.830 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 79 26.926 2.173 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 79 27.830 0.707 -6.375 1.00 0.00 H new ATOM 1036 N LEU A 80 25.446 1.277 -2.681 1.00 0.00 N ATOM 1037 CA LEU A 80 24.506 1.900 -1.793 1.00 0.00 C ATOM 1038 C LEU A 80 25.230 2.055 -0.491 1.00 0.00 C ATOM 1039 O LEU A 80 26.185 1.299 -0.204 1.00 0.00 O ATOM 1040 CB LEU A 80 23.259 0.993 -1.569 1.00 0.00 C ATOM 1041 CG LEU A 80 23.416 -0.226 -0.627 1.00 0.00 C ATOM 1042 CD1 LEU A 80 22.067 -0.789 -0.280 1.00 0.00 C ATOM 1043 CD2 LEU A 80 24.259 -1.318 -1.244 1.00 0.00 C ATOM 0 H LEU A 80 26.198 0.799 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 80 24.155 2.847 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.456 1.618 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.932 0.625 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 80 23.921 0.129 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.190 -1.646 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.472 -0.025 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.559 -1.105 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 80 24.341 -2.152 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 80 23.791 -1.661 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 80 25.253 -0.930 -1.464 1.00 0.00 H new ATOM 1055 N ASP A 81 24.844 3.006 0.253 1.00 0.00 N ATOM 1056 CA ASP A 81 25.388 3.230 1.541 1.00 0.00 C ATOM 1057 C ASP A 81 24.193 3.294 2.469 1.00 0.00 C ATOM 1058 O ASP A 81 23.094 2.862 2.074 1.00 0.00 O ATOM 1059 CB ASP A 81 26.168 4.554 1.554 1.00 0.00 C ATOM 1060 CG ASP A 81 27.173 4.633 2.695 1.00 0.00 C ATOM 1061 OD1 ASP A 81 26.773 4.882 3.853 1.00 0.00 O ATOM 1062 OD2 ASP A 81 28.380 4.414 2.460 1.00 0.00 O ATOM 0 H ASP A 81 24.122 3.674 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 81 26.085 2.449 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 81 26.692 4.672 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 81 25.466 5.384 1.636 1.00 0.00 H new ATOM 1067 N LEU A 82 24.357 3.843 3.648 1.00 0.00 N ATOM 1068 CA LEU A 82 23.279 3.951 4.618 1.00 0.00 C ATOM 1069 C LEU A 82 22.127 4.766 4.062 1.00 0.00 C ATOM 1070 O LEU A 82 20.998 4.521 4.395 1.00 0.00 O ATOM 1071 CB LEU A 82 23.753 4.569 5.947 1.00 0.00 C ATOM 1072 CG LEU A 82 24.825 3.809 6.738 1.00 0.00 C ATOM 1073 CD1 LEU A 82 25.194 4.570 7.999 1.00 0.00 C ATOM 1074 CD2 LEU A 82 24.362 2.400 7.084 1.00 0.00 C ATOM 0 H LEU A 82 25.244 4.231 3.969 1.00 0.00 H new ATOM 0 HA LEU A 82 22.939 2.935 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.135 5.568 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 82 22.882 4.690 6.591 1.00 0.00 H new ATOM 0 HG LEU A 82 25.710 3.726 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.956 4.017 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 82 25.582 5.553 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.309 4.688 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 82 25.144 1.887 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 82 23.457 2.453 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 82 24.153 1.850 6.166 1.00 0.00 H new ATOM 1086 N LEU A 83 22.435 5.708 3.200 1.00 0.00 N ATOM 1087 CA LEU A 83 21.437 6.610 2.623 1.00 0.00 C ATOM 1088 C LEU A 83 20.423 5.855 1.790 1.00 0.00 C ATOM 1089 O LEU A 83 19.200 6.026 1.942 1.00 0.00 O ATOM 1090 CB LEU A 83 22.123 7.650 1.715 1.00 0.00 C ATOM 1091 CG LEU A 83 23.090 8.685 2.359 1.00 0.00 C ATOM 1092 CD1 LEU A 83 22.434 9.435 3.502 1.00 0.00 C ATOM 1093 CD2 LEU A 83 24.418 8.064 2.792 1.00 0.00 C ATOM 0 H LEU A 83 23.385 5.879 2.872 1.00 0.00 H new ATOM 0 HA LEU A 83 20.928 7.100 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.681 7.106 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 83 21.340 8.206 1.200 1.00 0.00 H new ATOM 0 HG LEU A 83 23.322 9.408 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.143 10.148 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 83 21.559 9.969 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 83 22.128 8.728 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.052 8.833 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 83 24.231 7.281 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 83 24.919 7.635 1.924 1.00 0.00 H new ATOM 1105 N GLU A 84 20.921 5.019 0.937 1.00 0.00 N ATOM 1106 CA GLU A 84 20.086 4.231 0.086 1.00 0.00 C ATOM 1107 C GLU A 84 19.393 3.179 0.909 1.00 0.00 C ATOM 1108 O GLU A 84 18.177 3.015 0.841 1.00 0.00 O ATOM 1109 CB GLU A 84 20.888 3.595 -1.040 1.00 0.00 C ATOM 1110 CG GLU A 84 21.451 4.549 -2.093 1.00 0.00 C ATOM 1111 CD GLU A 84 22.470 5.494 -1.539 1.00 0.00 C ATOM 1112 OE1 GLU A 84 23.496 5.025 -1.017 1.00 0.00 O ATOM 1113 OE2 GLU A 84 22.241 6.716 -1.568 1.00 0.00 O ATOM 0 H GLU A 84 21.921 4.862 0.810 1.00 0.00 H new ATOM 0 HA GLU A 84 19.341 4.879 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.718 3.043 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.253 2.866 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.902 3.968 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.633 5.121 -2.532 1.00 0.00 H new ATOM 1120 N LYS A 85 20.183 2.547 1.761 1.00 0.00 N ATOM 1121 CA LYS A 85 19.756 1.485 2.647 1.00 0.00 C ATOM 1122 C LYS A 85 18.610 1.958 3.490 1.00 0.00 C ATOM 1123 O LYS A 85 17.622 1.250 3.649 1.00 0.00 O ATOM 1124 CB LYS A 85 20.931 1.086 3.565 1.00 0.00 C ATOM 1125 CG LYS A 85 20.618 0.019 4.620 1.00 0.00 C ATOM 1126 CD LYS A 85 21.770 -0.153 5.623 1.00 0.00 C ATOM 1127 CE LYS A 85 23.071 -0.655 4.980 1.00 0.00 C ATOM 1128 NZ LYS A 85 22.972 -2.049 4.502 1.00 0.00 N ATOM 0 H LYS A 85 21.174 2.770 1.855 1.00 0.00 H new ATOM 0 HA LYS A 85 19.439 0.626 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.749 0.725 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.290 1.980 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.709 0.294 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.422 -0.933 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.961 0.802 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.464 -0.854 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.331 -0.006 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.881 -0.581 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.882 -2.341 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.734 -2.673 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.230 -2.115 3.777 1.00 0.00 H new ATOM 1142 N PHE A 86 18.706 3.192 3.951 1.00 0.00 N ATOM 1143 CA PHE A 86 17.726 3.716 4.843 1.00 0.00 C ATOM 1144 C PHE A 86 16.381 3.854 4.165 1.00 0.00 C ATOM 1145 O PHE A 86 15.376 3.587 4.765 1.00 0.00 O ATOM 1146 CB PHE A 86 18.175 5.041 5.469 1.00 0.00 C ATOM 1147 CG PHE A 86 17.257 5.556 6.535 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.344 5.068 7.825 1.00 0.00 C ATOM 1149 CD2 PHE A 86 16.298 6.517 6.249 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.500 5.527 8.810 1.00 0.00 C ATOM 1151 CE2 PHE A 86 15.451 6.977 7.231 1.00 0.00 C ATOM 1152 CZ PHE A 86 15.554 6.479 8.513 1.00 0.00 C ATOM 0 H PHE A 86 19.458 3.839 3.714 1.00 0.00 H new ATOM 0 HA PHE A 86 17.614 2.998 5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.170 4.911 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.259 5.792 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.083 4.317 8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 86 16.215 6.908 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.581 5.140 9.815 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.708 7.726 6.999 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.890 6.838 9.285 1.00 0.00 H new ATOM 1162 N ASN A 87 16.395 4.221 2.906 1.00 0.00 N ATOM 1163 CA ASN A 87 15.194 4.413 2.131 1.00 0.00 C ATOM 1164 C ASN A 87 14.575 3.098 1.762 1.00 0.00 C ATOM 1165 O ASN A 87 13.374 2.988 1.680 1.00 0.00 O ATOM 1166 CB ASN A 87 15.413 5.303 0.895 1.00 0.00 C ATOM 1167 CG ASN A 87 15.434 6.797 1.223 1.00 0.00 C ATOM 1168 OD1 ASN A 87 14.382 7.467 1.215 1.00 0.00 O ATOM 1169 ND2 ASN A 87 16.600 7.338 1.502 1.00 0.00 N ATOM 0 H ASN A 87 17.254 4.397 2.384 1.00 0.00 H new ATOM 0 HA ASN A 87 14.493 4.951 2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.355 5.029 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.622 5.108 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.662 8.333 1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.442 6.763 1.500 1.00 0.00 H new ATOM 1176 N PHE A 88 15.394 2.086 1.555 1.00 0.00 N ATOM 1177 CA PHE A 88 14.867 0.766 1.226 1.00 0.00 C ATOM 1178 C PHE A 88 14.172 0.221 2.426 1.00 0.00 C ATOM 1179 O PHE A 88 13.041 -0.247 2.338 1.00 0.00 O ATOM 1180 CB PHE A 88 15.957 -0.208 0.779 1.00 0.00 C ATOM 1181 CG PHE A 88 16.847 0.323 -0.287 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.392 1.264 -1.204 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.155 -0.073 -0.344 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.226 1.780 -2.142 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.993 0.452 -1.275 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.528 1.372 -2.171 1.00 0.00 C ATOM 0 H PHE A 88 16.411 2.144 1.606 1.00 0.00 H new ATOM 0 HA PHE A 88 14.178 0.877 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.564 -0.478 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.486 -1.124 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.362 1.588 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.524 -0.808 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.864 2.504 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 88 20.027 0.142 -1.307 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.199 1.782 -2.912 1.00 0.00 H new ATOM 1196 N GLU A 89 14.828 0.359 3.568 1.00 0.00 N ATOM 1197 CA GLU A 89 14.270 -0.083 4.805 1.00 0.00 C ATOM 1198 C GLU A 89 13.086 0.792 5.140 1.00 0.00 C ATOM 1199 O GLU A 89 12.097 0.329 5.714 1.00 0.00 O ATOM 1200 CB GLU A 89 15.299 -0.026 5.922 1.00 0.00 C ATOM 1201 CG GLU A 89 16.562 -0.831 5.662 1.00 0.00 C ATOM 1202 CD GLU A 89 17.516 -0.789 6.829 1.00 0.00 C ATOM 1203 OE1 GLU A 89 17.805 0.309 7.338 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.957 -1.870 7.293 1.00 0.00 O ATOM 0 H GLU A 89 15.754 0.779 3.648 1.00 0.00 H new ATOM 0 HA GLU A 89 13.952 -1.121 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.576 1.015 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.838 -0.386 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.294 -1.866 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.061 -0.444 4.773 1.00 0.00 H new ATOM 1211 N ALA A 90 13.173 2.070 4.732 1.00 0.00 N ATOM 1212 CA ALA A 90 12.088 3.005 5.019 1.00 0.00 C ATOM 1213 C ALA A 90 10.859 2.613 4.244 1.00 0.00 C ATOM 1214 O ALA A 90 9.761 2.554 4.787 1.00 0.00 O ATOM 1215 CB ALA A 90 12.472 4.443 4.703 1.00 0.00 C ATOM 0 H ALA A 90 13.961 2.464 4.218 1.00 0.00 H new ATOM 0 HA ALA A 90 11.880 2.953 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.635 5.102 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.335 4.730 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.722 4.529 3.646 1.00 0.00 H new ATOM 1221 N ALA A 91 11.061 2.288 2.989 1.00 0.00 N ATOM 1222 CA ALA A 91 10.000 1.876 2.106 1.00 0.00 C ATOM 1223 C ALA A 91 9.389 0.577 2.576 1.00 0.00 C ATOM 1224 O ALA A 91 8.176 0.434 2.583 1.00 0.00 O ATOM 1225 CB ALA A 91 10.512 1.747 0.692 1.00 0.00 C ATOM 0 H ALA A 91 11.981 2.303 2.548 1.00 0.00 H new ATOM 0 HA ALA A 91 9.223 2.640 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.698 1.435 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.899 2.709 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.309 1.004 0.660 1.00 0.00 H new ATOM 1231 N LEU A 92 10.228 -0.349 3.005 1.00 0.00 N ATOM 1232 CA LEU A 92 9.751 -1.626 3.520 1.00 0.00 C ATOM 1233 C LEU A 92 8.840 -1.407 4.711 1.00 0.00 C ATOM 1234 O LEU A 92 7.777 -2.021 4.803 1.00 0.00 O ATOM 1235 CB LEU A 92 10.908 -2.566 3.898 1.00 0.00 C ATOM 1236 CG LEU A 92 11.839 -3.016 2.766 1.00 0.00 C ATOM 1237 CD1 LEU A 92 12.951 -3.899 3.312 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.064 -3.751 1.686 1.00 0.00 C ATOM 0 H LEU A 92 11.243 -0.244 3.008 1.00 0.00 H new ATOM 0 HA LEU A 92 9.188 -2.108 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.513 -2.070 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.483 -3.457 4.361 1.00 0.00 H new ATOM 0 HG LEU A 92 12.285 -2.127 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.603 -4.210 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.531 -3.341 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.517 -4.780 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.747 -4.060 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.586 -4.631 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.303 -3.090 1.271 1.00 0.00 H new ATOM 1250 N ALA A 93 9.221 -0.494 5.576 1.00 0.00 N ATOM 1251 CA ALA A 93 8.442 -0.194 6.753 1.00 0.00 C ATOM 1252 C ALA A 93 7.188 0.563 6.380 1.00 0.00 C ATOM 1253 O ALA A 93 6.122 0.322 6.950 1.00 0.00 O ATOM 1254 CB ALA A 93 9.263 0.568 7.780 1.00 0.00 C ATOM 0 H ALA A 93 10.074 0.057 5.483 1.00 0.00 H new ATOM 0 HA ALA A 93 8.145 -1.137 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.647 0.779 8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.122 -0.033 8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.609 1.506 7.346 1.00 0.00 H new ATOM 1260 N THR A 94 7.296 1.420 5.369 1.00 0.00 N ATOM 1261 CA THR A 94 6.181 2.201 4.930 1.00 0.00 C ATOM 1262 C THR A 94 5.132 1.275 4.343 1.00 0.00 C ATOM 1263 O THR A 94 3.943 1.357 4.686 1.00 0.00 O ATOM 1264 CB THR A 94 6.597 3.278 3.896 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.651 4.081 4.442 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.422 4.190 3.558 1.00 0.00 C ATOM 0 H THR A 94 8.157 1.580 4.846 1.00 0.00 H new ATOM 0 HA THR A 94 5.771 2.732 5.789 1.00 0.00 H new ATOM 0 HB THR A 94 6.929 2.770 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.447 3.526 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.739 4.937 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.610 3.597 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.076 4.689 4.463 1.00 0.00 H new ATOM 1274 N GLY A 95 5.599 0.341 3.528 1.00 0.00 N ATOM 1275 CA GLY A 95 4.732 -0.606 2.912 1.00 0.00 C ATOM 1276 C GLY A 95 4.107 -1.511 3.922 1.00 0.00 C ATOM 1277 O GLY A 95 2.934 -1.765 3.862 1.00 0.00 O ATOM 0 H GLY A 95 6.584 0.233 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.952 -0.082 2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.293 -1.198 2.189 1.00 0.00 H new ATOM 1281 N ASP A 96 4.899 -1.942 4.885 1.00 0.00 N ATOM 1282 CA ASP A 96 4.443 -2.858 5.940 1.00 0.00 C ATOM 1283 C ASP A 96 3.303 -2.272 6.729 1.00 0.00 C ATOM 1284 O ASP A 96 2.251 -2.900 6.865 1.00 0.00 O ATOM 1285 CB ASP A 96 5.607 -3.191 6.890 1.00 0.00 C ATOM 1286 CG ASP A 96 5.227 -4.076 8.072 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.727 -3.558 9.099 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.479 -5.306 8.017 1.00 0.00 O ATOM 0 H ASP A 96 5.879 -1.673 4.967 1.00 0.00 H new ATOM 0 HA ASP A 96 4.089 -3.768 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.394 -3.686 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.027 -2.260 7.270 1.00 0.00 H new ATOM 1293 N LEU A 97 3.473 -1.050 7.182 1.00 0.00 N ATOM 1294 CA LEU A 97 2.477 -0.430 8.029 1.00 0.00 C ATOM 1295 C LEU A 97 1.201 -0.194 7.262 1.00 0.00 C ATOM 1296 O LEU A 97 0.134 -0.489 7.760 1.00 0.00 O ATOM 1297 CB LEU A 97 2.993 0.878 8.669 1.00 0.00 C ATOM 1298 CG LEU A 97 3.064 2.114 7.759 1.00 0.00 C ATOM 1299 CD1 LEU A 97 1.868 3.042 7.955 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.347 2.840 7.933 1.00 0.00 C ATOM 0 H LEU A 97 4.286 -0.468 6.980 1.00 0.00 H new ATOM 0 HA LEU A 97 2.266 -1.120 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.352 1.117 9.517 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.991 0.691 9.066 1.00 0.00 H new ATOM 0 HG LEU A 97 3.022 1.755 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.962 3.901 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.948 2.504 7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.839 3.384 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.365 3.709 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.443 3.167 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.176 2.178 7.683 1.00 0.00 H new ATOM 1312 N LEU A 98 1.308 0.330 6.050 1.00 0.00 N ATOM 1313 CA LEU A 98 0.131 0.611 5.281 1.00 0.00 C ATOM 1314 C LEU A 98 -0.508 -0.671 4.799 1.00 0.00 C ATOM 1315 O LEU A 98 -1.692 -0.711 4.608 1.00 0.00 O ATOM 1316 CB LEU A 98 0.401 1.597 4.128 1.00 0.00 C ATOM 1317 CG LEU A 98 1.162 1.052 2.927 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.214 0.429 1.898 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.046 2.107 2.292 1.00 0.00 C ATOM 0 H LEU A 98 2.190 0.562 5.593 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.579 1.112 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.557 1.982 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.958 2.444 4.528 1.00 0.00 H new ATOM 0 HG LEU A 98 1.816 0.262 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.791 0.050 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.335 -0.392 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.489 1.184 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.571 1.677 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.432 2.942 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.772 2.462 3.024 1.00 0.00 H new ATOM 1331 N LEU A 99 0.295 -1.730 4.599 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.249 -2.978 4.114 1.00 0.00 C ATOM 1333 C LEU A 99 -1.097 -3.583 5.207 1.00 0.00 C ATOM 1334 O LEU A 99 -2.199 -4.087 4.983 1.00 0.00 O ATOM 1335 CB LEU A 99 0.868 -3.934 3.624 1.00 0.00 C ATOM 1336 CG LEU A 99 0.463 -5.201 2.830 1.00 0.00 C ATOM 1337 CD1 LEU A 99 1.679 -5.787 2.164 1.00 0.00 C ATOM 1338 CD2 LEU A 99 -0.164 -6.267 3.720 1.00 0.00 C ATOM 0 H LEU A 99 1.301 -1.734 4.766 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.877 -2.797 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.549 -3.355 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.434 -4.257 4.498 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.279 -4.895 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.394 -6.678 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.109 -5.054 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.416 -6.054 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.430 -7.135 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.549 -6.565 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.060 -5.865 4.193 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.592 -3.474 6.400 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.276 -3.919 7.560 1.00 0.00 C ATOM 1352 C LYS A 100 -2.433 -2.996 7.857 1.00 0.00 C ATOM 1353 O LYS A 100 -3.468 -3.423 8.375 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.299 -4.107 8.708 1.00 0.00 C ATOM 1355 CG LYS A 100 0.538 -5.374 8.513 1.00 0.00 C ATOM 1356 CD LYS A 100 1.941 -5.267 9.081 1.00 0.00 C ATOM 1357 CE LYS A 100 1.971 -4.924 10.548 1.00 0.00 C ATOM 1358 NZ LYS A 100 3.360 -4.818 11.031 1.00 0.00 N ATOM 0 H LYS A 100 0.323 -3.065 6.589 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.716 -4.902 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.358 -3.240 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.845 -4.169 9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.027 -6.213 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.602 -5.597 7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.460 -6.213 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.492 -4.507 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.449 -3.982 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.441 -5.688 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.364 -4.419 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.795 -5.763 11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.902 -4.198 10.396 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.266 -1.721 7.502 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.329 -0.745 7.688 1.00 0.00 C ATOM 1374 C ASP A 101 -4.476 -1.073 6.736 1.00 0.00 C ATOM 1375 O ASP A 101 -5.651 -0.997 7.107 1.00 0.00 O ATOM 1376 CB ASP A 101 -2.823 0.678 7.459 1.00 0.00 C ATOM 1377 CG ASP A 101 -3.847 1.731 7.789 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.023 2.048 8.988 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.441 2.301 6.874 1.00 0.00 O ATOM 0 H ASP A 101 -1.412 -1.347 7.088 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.683 -0.797 8.717 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.933 0.843 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.522 0.787 6.417 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.106 -1.494 5.514 1.00 0.00 N ATOM 1385 CA LEU A 102 -5.047 -1.977 4.505 1.00 0.00 C ATOM 1386 C LEU A 102 -5.867 -3.090 5.076 1.00 0.00 C ATOM 1387 O LEU A 102 -7.063 -3.068 4.994 1.00 0.00 O ATOM 1388 CB LEU A 102 -4.329 -2.501 3.236 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.677 -1.475 2.306 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.886 -2.188 1.217 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.740 -0.604 1.666 1.00 0.00 C ATOM 0 H LEU A 102 -3.135 -1.506 5.202 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.675 -1.132 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.557 -3.202 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.054 -3.068 2.652 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.004 -0.850 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.425 -1.450 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.110 -2.802 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.556 -2.823 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.266 0.123 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.422 -1.228 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.297 -0.080 2.443 1.00 0.00 H new ATOM 1403 N LYS A 103 -5.197 -4.037 5.699 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.837 -5.197 6.298 1.00 0.00 C ATOM 1405 C LYS A 103 -6.816 -4.790 7.409 1.00 0.00 C ATOM 1406 O LYS A 103 -7.909 -5.353 7.521 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.771 -6.157 6.832 1.00 0.00 C ATOM 1408 CG LYS A 103 -4.861 -7.575 6.280 1.00 0.00 C ATOM 1409 CD LYS A 103 -4.782 -7.591 4.755 1.00 0.00 C ATOM 1410 CE LYS A 103 -4.753 -9.008 4.220 1.00 0.00 C ATOM 1411 NZ LYS A 103 -4.853 -9.041 2.755 1.00 0.00 N ATOM 0 H LYS A 103 -4.183 -4.026 5.807 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.419 -5.705 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.786 -5.752 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.849 -6.198 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.053 -8.179 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.797 -8.032 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.638 -7.060 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.888 -7.059 4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.829 -9.495 4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.576 -9.577 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.406 -9.909 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.854 -9.026 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.369 -8.212 2.355 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.451 -3.785 8.181 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.279 -3.322 9.273 1.00 0.00 C ATOM 1427 C ALA A 104 -8.506 -2.615 8.735 1.00 0.00 C ATOM 1428 O ALA A 104 -9.638 -2.838 9.203 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.487 -2.405 10.197 1.00 0.00 C ATOM 0 H ALA A 104 -5.577 -3.270 8.069 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.604 -4.185 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.128 -2.068 11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.635 -2.948 10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.130 -1.542 9.635 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.302 -1.787 7.731 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.390 -1.070 7.145 1.00 0.00 C ATOM 1437 C LEU A 105 -10.251 -2.047 6.385 1.00 0.00 C ATOM 1438 O LEU A 105 -11.414 -1.895 6.327 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.941 0.133 6.273 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.525 -0.151 4.824 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.697 0.028 3.859 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.341 0.692 4.409 1.00 0.00 C ATOM 0 H LEU A 105 -7.391 -1.601 7.312 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.974 -0.613 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.757 0.855 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.102 0.615 6.774 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.216 -1.195 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.366 -0.181 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.499 -0.660 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.063 1.053 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.075 0.463 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.599 1.748 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.493 0.474 5.059 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.619 -3.056 5.808 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.278 -4.114 5.043 1.00 0.00 C ATOM 1456 C GLN A 106 -11.272 -4.819 5.928 1.00 0.00 C ATOM 1457 O GLN A 106 -12.377 -5.028 5.523 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.204 -5.078 4.479 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.534 -5.904 3.230 1.00 0.00 C ATOM 1460 CD GLN A 106 -10.606 -6.942 3.398 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -10.336 -8.065 3.777 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -11.797 -6.605 3.070 1.00 0.00 N ATOM 0 H GLN A 106 -8.606 -3.169 5.857 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.826 -3.699 4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.314 -4.488 4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.936 -5.774 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.836 -5.222 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.623 -6.400 2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.990 -5.654 2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.553 -7.288 3.123 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.892 -5.122 7.145 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.816 -5.747 8.092 1.00 0.00 C ATOM 1473 C LYS A 107 -12.950 -4.775 8.452 1.00 0.00 C ATOM 1474 O LYS A 107 -14.123 -5.179 8.614 1.00 0.00 O ATOM 1475 CB LYS A 107 -11.070 -6.226 9.334 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.995 -7.261 9.027 1.00 0.00 C ATOM 1477 CD LYS A 107 -10.591 -8.544 8.460 1.00 0.00 C ATOM 1478 CE LYS A 107 -9.507 -9.490 7.978 1.00 0.00 C ATOM 1479 NZ LYS A 107 -10.059 -10.805 7.582 1.00 0.00 N ATOM 0 H LYS A 107 -9.956 -4.952 7.513 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.264 -6.622 7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.610 -5.369 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.785 -6.652 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.283 -6.845 8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.440 -7.489 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.193 -9.036 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -11.260 -8.303 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.987 -9.044 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.769 -9.629 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.287 -11.422 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.534 -11.242 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.745 -10.676 6.811 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.610 -3.497 8.503 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.574 -2.450 8.750 1.00 0.00 C ATOM 1495 C ARG A 108 -14.528 -2.346 7.579 1.00 0.00 C ATOM 1496 O ARG A 108 -15.717 -2.209 7.761 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.876 -1.111 9.005 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.817 0.080 9.029 1.00 0.00 C ATOM 1499 CD ARG A 108 -13.068 1.373 9.228 1.00 0.00 C ATOM 1500 NE ARG A 108 -13.940 2.526 9.031 1.00 0.00 N ATOM 1501 CZ ARG A 108 -13.607 3.797 9.239 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -12.425 4.109 9.759 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -14.466 4.756 8.941 1.00 0.00 N ATOM 0 H ARG A 108 -11.655 -3.162 8.373 1.00 0.00 H new ATOM 0 HA ARG A 108 -14.142 -2.701 9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.348 -1.163 9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.124 -0.952 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.376 0.122 8.094 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.545 -0.047 9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.646 1.401 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.232 1.423 8.530 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.889 2.341 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.764 3.371 10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.178 5.086 9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.380 4.520 8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.216 5.732 9.099 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.994 -2.435 6.382 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.777 -2.365 5.195 1.00 0.00 C ATOM 1519 C VAL A 109 -15.625 -3.627 5.043 1.00 0.00 C ATOM 1520 O VAL A 109 -16.767 -3.552 4.629 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.915 -2.074 3.935 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.767 -1.999 2.692 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.176 -0.767 4.105 1.00 0.00 C ATOM 0 H VAL A 109 -12.995 -2.559 6.216 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.455 -1.517 5.289 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.205 -2.893 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.134 -1.794 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.283 -2.948 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.501 -1.200 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.574 -0.571 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.894 0.042 4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.526 -0.827 4.978 1.00 0.00 H new ATOM 1533 N GLN A 110 -15.044 -4.776 5.395 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.739 -6.062 5.392 1.00 0.00 C ATOM 1535 C GLN A 110 -17.036 -5.950 6.114 1.00 0.00 C ATOM 1536 O GLN A 110 -18.069 -6.408 5.618 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.914 -7.149 6.097 1.00 0.00 C ATOM 1538 CG GLN A 110 -13.822 -7.778 5.271 1.00 0.00 C ATOM 1539 CD GLN A 110 -14.355 -8.604 4.114 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -13.720 -8.699 3.062 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -15.490 -9.233 4.299 1.00 0.00 N ATOM 0 H GLN A 110 -14.070 -4.839 5.692 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.895 -6.335 4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.465 -6.716 6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.592 -7.935 6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.171 -6.995 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.209 -8.412 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.991 -9.133 5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.873 -9.823 3.560 1.00 0.00 H new ATOM 1550 N ASP A 111 -17.007 -5.342 7.281 1.00 0.00 N ATOM 1551 CA ASP A 111 -18.232 -5.244 7.994 1.00 0.00 C ATOM 1552 C ASP A 111 -19.005 -3.995 7.582 1.00 0.00 C ATOM 1553 O ASP A 111 -20.183 -4.069 7.217 1.00 0.00 O ATOM 1554 CB ASP A 111 -18.035 -5.279 9.489 1.00 0.00 C ATOM 1555 CG ASP A 111 -19.304 -5.644 10.239 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -20.321 -4.931 10.159 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -19.291 -6.686 10.929 1.00 0.00 O ATOM 0 H ASP A 111 -16.186 -4.932 7.727 1.00 0.00 H new ATOM 0 HA ASP A 111 -18.820 -6.123 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -17.254 -6.000 9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -17.685 -4.304 9.828 1.00 0.00 H new ATOM 1562 N SER A 112 -18.307 -2.859 7.602 1.00 0.00 N ATOM 1563 CA SER A 112 -18.785 -1.488 7.264 1.00 0.00 C ATOM 1564 C SER A 112 -19.934 -0.942 8.133 1.00 0.00 C ATOM 1565 O SER A 112 -20.062 0.277 8.292 1.00 0.00 O ATOM 1566 CB SER A 112 -19.061 -1.308 5.764 1.00 0.00 C ATOM 1567 OG SER A 112 -19.978 -2.273 5.266 1.00 0.00 O ATOM 0 H SER A 112 -17.323 -2.856 7.871 1.00 0.00 H new ATOM 0 HA SER A 112 -17.935 -0.858 7.525 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.457 -0.308 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 112 -18.124 -1.382 5.213 1.00 0.00 H new ATOM 0 HG SER A 112 -20.399 -2.742 6.016 1.00 0.00 H new ATOM 1573 N GLU A 113 -20.718 -1.838 8.690 1.00 0.00 N ATOM 1574 CA GLU A 113 -21.907 -1.540 9.459 1.00 0.00 C ATOM 1575 C GLU A 113 -22.940 -0.878 8.558 1.00 0.00 C ATOM 1576 O GLU A 113 -23.624 -1.607 7.809 1.00 0.00 O ATOM 1577 CB GLU A 113 -21.649 -0.697 10.742 1.00 0.00 C ATOM 1578 CG GLU A 113 -20.755 -1.348 11.814 1.00 0.00 C ATOM 1579 CD GLU A 113 -19.261 -1.223 11.558 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -18.677 -0.176 11.932 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -18.630 -2.165 11.048 1.00 0.00 O ATOM 1582 OXT GLU A 113 -23.048 0.361 8.545 1.00 0.00 O ATOM 0 H GLU A 113 -20.536 -2.839 8.616 1.00 0.00 H new ATOM 0 HA GLU A 113 -22.288 -2.492 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -21.195 0.249 10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -22.611 -0.460 11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -20.983 -0.898 12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -21.010 -2.405 11.887 1.00 0.00 H new TER 1589 GLU A 113