USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 SER OG : rot -34:sc= 0.0357 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -2.22! C(o=-3.4!,f=-13!) USER MOD Set 2.2: A 60 TYR OH : rot 30:sc= -1.2! USER MOD Single : A 14 SER OG : rot 28:sc= 0.325 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.654 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.81! C(o=-1.8!,f=-2.5!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 135:sc= -0.827 (180deg=-2.08) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00646 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.5!) USER MOD Single : A 42 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= -0.446 (180deg=-1.87) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 171:sc= -0.891 (180deg=-1) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.44) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.88 F(o=-2.5!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 6.819 0.168 -8.189 1.00 0.00 N ATOM 24 CA SER A 14 5.577 -0.544 -7.775 1.00 0.00 C ATOM 25 C SER A 14 5.316 -0.290 -6.290 1.00 0.00 C ATOM 26 O SER A 14 6.189 0.149 -5.567 1.00 0.00 O ATOM 27 CB SER A 14 5.740 -2.045 -8.009 1.00 0.00 C ATOM 28 OG SER A 14 6.280 -2.265 -9.304 1.00 0.00 O ATOM 0 HA SER A 14 4.738 -0.175 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.397 -2.473 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.776 -2.546 -7.915 1.00 0.00 H new ATOM 0 HG SER A 14 6.815 -1.489 -9.571 1.00 0.00 H new ATOM 34 N ILE A 15 4.118 -0.562 -5.834 1.00 0.00 N ATOM 35 CA ILE A 15 3.777 -0.339 -4.392 1.00 0.00 C ATOM 36 C ILE A 15 3.201 -1.632 -3.809 1.00 0.00 C ATOM 37 O ILE A 15 2.301 -2.228 -4.367 1.00 0.00 O ATOM 38 CB ILE A 15 2.728 0.774 -4.293 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.273 2.044 -4.949 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.424 1.069 -2.820 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.150 3.076 -5.075 1.00 0.00 C ATOM 0 H ILE A 15 3.356 -0.932 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 15 4.671 -0.052 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 15 1.817 0.453 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.090 2.451 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.680 1.812 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.678 1.861 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.041 0.168 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.337 1.388 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.538 3.981 -5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.347 2.667 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.764 3.316 -4.084 1.00 0.00 H new ATOM 53 N TRP A 16 3.707 -2.069 -2.685 1.00 0.00 N ATOM 54 CA TRP A 16 3.189 -3.322 -2.050 1.00 0.00 C ATOM 55 C TRP A 16 3.158 -3.116 -0.531 1.00 0.00 C ATOM 56 O TRP A 16 4.118 -2.660 0.055 1.00 0.00 O ATOM 57 CB TRP A 16 4.121 -4.489 -2.387 1.00 0.00 C ATOM 58 CG TRP A 16 4.213 -4.658 -3.871 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.905 -3.844 -4.704 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.624 -5.695 -4.713 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.777 -4.312 -5.998 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.998 -5.450 -6.056 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.807 -6.812 -4.449 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.582 -6.282 -7.096 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.388 -7.650 -5.493 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.776 -7.386 -6.814 1.00 0.00 C ATOM 0 H TRP A 16 4.462 -1.610 -2.175 1.00 0.00 H new ATOM 0 HA TRP A 16 2.189 -3.546 -2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.112 -4.306 -1.971 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.749 -5.406 -1.931 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.466 -2.971 -4.405 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.206 -3.870 -6.811 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.501 -7.025 -3.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.882 -6.073 -8.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.763 -8.504 -5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.451 -8.036 -7.613 1.00 0.00 H new ATOM 77 N CYS A 17 2.058 -3.436 0.113 1.00 0.00 N ATOM 78 CA CYS A 17 1.969 -3.238 1.598 1.00 0.00 C ATOM 79 C CYS A 17 1.256 -4.423 2.258 1.00 0.00 C ATOM 80 O CYS A 17 0.432 -5.083 1.657 1.00 0.00 O ATOM 81 CB CYS A 17 1.181 -1.959 1.886 1.00 0.00 C ATOM 82 SG CYS A 17 1.938 -0.572 1.004 1.00 0.00 S ATOM 0 H CYS A 17 1.222 -3.824 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 17 2.978 -3.162 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.144 -2.080 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.170 -1.760 2.958 1.00 0.00 H new ATOM 0 HG CYS A 17 1.267 0.515 1.247 1.00 0.00 H new ATOM 88 N SER A 18 1.562 -4.679 3.503 1.00 0.00 N ATOM 89 CA SER A 18 0.904 -5.801 4.235 1.00 0.00 C ATOM 90 C SER A 18 -0.544 -5.404 4.552 1.00 0.00 C ATOM 91 O SER A 18 -0.851 -4.233 4.660 1.00 0.00 O ATOM 92 CB SER A 18 1.670 -6.054 5.540 1.00 0.00 C ATOM 93 OG SER A 18 2.860 -6.776 5.253 1.00 0.00 O ATOM 0 H SER A 18 2.246 -4.154 4.048 1.00 0.00 H new ATOM 0 HA SER A 18 0.908 -6.706 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.913 -5.107 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.049 -6.617 6.237 1.00 0.00 H new ATOM 0 HG SER A 18 3.353 -6.938 6.084 1.00 0.00 H new ATOM 99 N PRO A 19 -1.436 -6.358 4.698 1.00 0.00 N ATOM 100 CA PRO A 19 -2.870 -6.064 5.002 1.00 0.00 C ATOM 101 C PRO A 19 -3.031 -5.317 6.329 1.00 0.00 C ATOM 102 O PRO A 19 -3.974 -4.577 6.524 1.00 0.00 O ATOM 103 CB PRO A 19 -3.533 -7.454 5.062 1.00 0.00 C ATOM 104 CG PRO A 19 -2.407 -8.408 5.308 1.00 0.00 C ATOM 105 CD PRO A 19 -1.196 -7.809 4.596 1.00 0.00 C ATOM 0 HA PRO A 19 -3.322 -5.413 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.274 -7.504 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.050 -7.685 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.217 -8.523 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.641 -9.399 4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.261 -8.098 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.135 -8.136 3.558 1.00 0.00 H new ATOM 113 N GLN A 20 -2.115 -5.495 7.239 1.00 0.00 N ATOM 114 CA GLN A 20 -2.224 -4.781 8.539 1.00 0.00 C ATOM 115 C GLN A 20 -2.219 -3.275 8.265 1.00 0.00 C ATOM 116 O GLN A 20 -3.013 -2.529 8.804 1.00 0.00 O ATOM 117 CB GLN A 20 -1.039 -5.159 9.434 1.00 0.00 C ATOM 118 CG GLN A 20 -1.175 -4.481 10.809 1.00 0.00 C ATOM 119 CD GLN A 20 -0.608 -3.060 10.751 1.00 0.00 C ATOM 120 OE1 GLN A 20 0.450 -2.837 10.195 1.00 0.00 O ATOM 121 NE2 GLN A 20 -1.271 -2.081 11.305 1.00 0.00 N ATOM 0 H GLN A 20 -1.300 -6.101 7.139 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.146 -5.060 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.997 -6.241 9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.105 -4.855 8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.223 -4.451 11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.646 -5.062 11.564 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.159 -2.266 11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.901 -1.131 11.271 1.00 0.00 H new ATOM 130 N GLU A 21 -1.340 -2.828 7.409 1.00 0.00 N ATOM 131 CA GLU A 21 -1.292 -1.378 7.082 1.00 0.00 C ATOM 132 C GLU A 21 -2.606 -0.978 6.408 1.00 0.00 C ATOM 133 O GLU A 21 -3.158 0.072 6.674 1.00 0.00 O ATOM 134 CB GLU A 21 -0.126 -1.113 6.129 1.00 0.00 C ATOM 135 CG GLU A 21 1.194 -1.293 6.882 1.00 0.00 C ATOM 136 CD GLU A 21 2.367 -1.036 5.933 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.116 -0.644 4.805 1.00 0.00 O ATOM 138 OE2 GLU A 21 3.496 -1.238 6.350 1.00 0.00 O ATOM 0 H GLU A 21 -0.654 -3.406 6.923 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.153 -0.795 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.171 -1.798 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.193 -0.102 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.239 -0.605 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.257 -2.302 7.289 1.00 0.00 H new ATOM 145 N ILE A 22 -3.115 -1.814 5.542 1.00 0.00 N ATOM 146 CA ILE A 22 -4.400 -1.486 4.863 1.00 0.00 C ATOM 147 C ILE A 22 -5.526 -1.561 5.892 1.00 0.00 C ATOM 148 O ILE A 22 -6.389 -0.708 5.947 1.00 0.00 O ATOM 149 CB ILE A 22 -4.662 -2.491 3.737 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.580 -2.343 2.663 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.037 -2.220 3.119 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.680 -3.498 1.663 1.00 0.00 C ATOM 0 H ILE A 22 -2.697 -2.706 5.277 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.350 -0.484 4.436 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.640 -3.504 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.696 -1.391 2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.593 -2.336 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.223 -2.935 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.807 -2.324 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.061 -1.208 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.908 -3.388 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.542 -4.445 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.662 -3.485 1.189 1.00 0.00 H new ATOM 164 N MET A 23 -5.522 -2.578 6.714 1.00 0.00 N ATOM 165 CA MET A 23 -6.582 -2.723 7.747 1.00 0.00 C ATOM 166 C MET A 23 -6.689 -1.429 8.553 1.00 0.00 C ATOM 167 O MET A 23 -7.707 -1.142 9.153 1.00 0.00 O ATOM 168 CB MET A 23 -6.191 -3.888 8.667 1.00 0.00 C ATOM 169 CG MET A 23 -7.267 -4.123 9.729 1.00 0.00 C ATOM 170 SD MET A 23 -7.075 -2.924 11.072 1.00 0.00 S ATOM 171 CE MET A 23 -5.861 -3.848 12.045 1.00 0.00 C ATOM 0 H MET A 23 -4.822 -3.319 6.711 1.00 0.00 H new ATOM 0 HA MET A 23 -7.548 -2.922 7.282 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.052 -4.794 8.076 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.238 -3.673 9.150 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.257 -4.029 9.284 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.189 -5.137 10.121 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.599 -3.278 12.936 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.286 -4.807 12.340 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.966 -4.016 11.446 1.00 0.00 H new ATOM 181 N ALA A 24 -5.652 -0.639 8.567 1.00 0.00 N ATOM 182 CA ALA A 24 -5.704 0.640 9.330 1.00 0.00 C ATOM 183 C ALA A 24 -6.467 1.687 8.514 1.00 0.00 C ATOM 184 O ALA A 24 -6.722 2.782 8.974 1.00 0.00 O ATOM 185 CB ALA A 24 -4.278 1.135 9.587 1.00 0.00 C ATOM 0 H ALA A 24 -4.772 -0.823 8.084 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.211 0.479 10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.313 2.071 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.732 0.388 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.773 1.299 8.635 1.00 0.00 H new ATOM 191 N ALA A 25 -6.832 1.358 7.306 1.00 0.00 N ATOM 192 CA ALA A 25 -7.579 2.332 6.458 1.00 0.00 C ATOM 193 C ALA A 25 -9.066 2.296 6.816 1.00 0.00 C ATOM 194 O ALA A 25 -9.681 1.249 6.844 1.00 0.00 O ATOM 195 CB ALA A 25 -7.411 1.964 4.984 1.00 0.00 C ATOM 0 H ALA A 25 -6.646 0.456 6.868 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.185 3.333 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.958 2.677 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.354 1.991 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.802 0.961 4.813 1.00 0.00 H new ATOM 201 N ASP A 26 -9.652 3.432 7.078 1.00 0.00 N ATOM 202 CA ASP A 26 -11.103 3.457 7.414 1.00 0.00 C ATOM 203 C ASP A 26 -11.893 2.884 6.235 1.00 0.00 C ATOM 204 O ASP A 26 -12.852 2.158 6.407 1.00 0.00 O ATOM 205 CB ASP A 26 -11.549 4.898 7.675 1.00 0.00 C ATOM 206 CG ASP A 26 -10.941 5.399 8.987 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.660 4.574 9.841 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.768 6.600 9.117 1.00 0.00 O ATOM 0 H ASP A 26 -9.190 4.341 7.074 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.284 2.861 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.238 5.540 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.637 4.948 7.725 1.00 0.00 H new ATOM 213 N GLY A 27 -11.493 3.216 5.037 1.00 0.00 N ATOM 214 CA GLY A 27 -12.208 2.710 3.831 1.00 0.00 C ATOM 215 C GLY A 27 -12.235 1.179 3.837 1.00 0.00 C ATOM 216 O GLY A 27 -13.003 0.567 3.120 1.00 0.00 O ATOM 0 H GLY A 27 -10.695 3.821 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.226 3.099 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.713 3.069 2.928 1.00 0.00 H new ATOM 220 N MET A 28 -11.403 0.556 4.636 1.00 0.00 N ATOM 221 CA MET A 28 -11.373 -0.943 4.692 1.00 0.00 C ATOM 222 C MET A 28 -11.490 -1.388 6.156 1.00 0.00 C ATOM 223 O MET A 28 -10.505 -1.716 6.787 1.00 0.00 O ATOM 224 CB MET A 28 -10.042 -1.445 4.118 1.00 0.00 C ATOM 225 CG MET A 28 -9.747 -0.737 2.791 1.00 0.00 C ATOM 226 SD MET A 28 -8.639 -1.766 1.799 1.00 0.00 S ATOM 227 CE MET A 28 -9.114 -1.117 0.178 1.00 0.00 C ATOM 0 H MET A 28 -10.740 1.022 5.255 1.00 0.00 H new ATOM 0 HA MET A 28 -12.199 -1.352 4.111 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.236 -1.257 4.827 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.086 -2.523 3.963 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.675 -0.554 2.249 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.290 0.235 2.978 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.219 -0.929 -0.415 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.743 -1.844 -0.335 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.666 -0.186 0.306 1.00 0.00 H new ATOM 237 N PRO A 29 -12.686 -1.386 6.699 1.00 0.00 N ATOM 238 CA PRO A 29 -12.927 -1.781 8.120 1.00 0.00 C ATOM 239 C PRO A 29 -12.948 -3.297 8.318 1.00 0.00 C ATOM 240 O PRO A 29 -12.990 -4.058 7.373 1.00 0.00 O ATOM 241 CB PRO A 29 -14.307 -1.197 8.409 1.00 0.00 C ATOM 242 CG PRO A 29 -15.013 -1.279 7.098 1.00 0.00 C ATOM 243 CD PRO A 29 -13.949 -1.009 6.029 1.00 0.00 C ATOM 0 HA PRO A 29 -12.137 -1.421 8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.828 -1.765 9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.239 -0.168 8.763 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.466 -2.261 6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.818 -0.546 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.121 -1.604 5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.944 0.037 5.722 1.00 0.00 H new ATOM 251 N GLY A 30 -12.901 -3.732 9.550 1.00 0.00 N ATOM 252 CA GLY A 30 -12.895 -5.192 9.849 1.00 0.00 C ATOM 253 C GLY A 30 -11.489 -5.561 10.298 1.00 0.00 C ATOM 254 O GLY A 30 -10.555 -4.811 10.093 1.00 0.00 O ATOM 0 H GLY A 30 -12.866 -3.128 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.620 -5.427 10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.178 -5.765 8.966 1.00 0.00 H new ATOM 258 N SER A 31 -11.310 -6.690 10.912 1.00 0.00 N ATOM 259 CA SER A 31 -9.945 -7.061 11.365 1.00 0.00 C ATOM 260 C SER A 31 -9.094 -7.364 10.138 1.00 0.00 C ATOM 261 O SER A 31 -9.477 -7.068 9.023 1.00 0.00 O ATOM 262 CB SER A 31 -10.019 -8.297 12.261 1.00 0.00 C ATOM 263 OG SER A 31 -10.824 -9.286 11.631 1.00 0.00 O ATOM 0 H SER A 31 -12.042 -7.369 11.120 1.00 0.00 H new ATOM 0 HA SER A 31 -9.503 -6.242 11.932 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.018 -8.688 12.444 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.440 -8.033 13.231 1.00 0.00 H new ATOM 0 HG SER A 31 -10.872 -10.081 12.202 1.00 0.00 H new ATOM 269 N VAL A 32 -7.940 -7.936 10.318 1.00 0.00 N ATOM 270 CA VAL A 32 -7.092 -8.224 9.137 1.00 0.00 C ATOM 271 C VAL A 32 -7.888 -9.099 8.169 1.00 0.00 C ATOM 272 O VAL A 32 -7.987 -8.808 6.994 1.00 0.00 O ATOM 273 CB VAL A 32 -5.825 -8.958 9.576 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.864 -9.050 8.396 1.00 0.00 C ATOM 275 CG2 VAL A 32 -5.157 -8.189 10.718 1.00 0.00 C ATOM 0 H VAL A 32 -7.552 -8.213 11.220 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.806 -7.293 8.648 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.084 -9.960 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.959 -9.573 8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.339 -9.597 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.606 -8.046 8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.254 -8.713 11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.896 -7.187 10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.845 -8.118 11.560 1.00 0.00 H new ATOM 285 N ALA A 33 -8.472 -10.163 8.653 1.00 0.00 N ATOM 286 CA ALA A 33 -9.276 -11.045 7.761 1.00 0.00 C ATOM 287 C ALA A 33 -10.428 -10.240 7.150 1.00 0.00 C ATOM 288 O ALA A 33 -10.768 -10.402 5.997 1.00 0.00 O ATOM 289 CB ALA A 33 -9.843 -12.208 8.579 1.00 0.00 C ATOM 0 H ALA A 33 -8.426 -10.459 9.628 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.643 -11.433 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.432 -12.856 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.024 -12.779 9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.477 -11.818 9.375 1.00 0.00 H new ATOM 295 N GLY A 34 -11.043 -9.380 7.916 1.00 0.00 N ATOM 296 CA GLY A 34 -12.180 -8.581 7.374 1.00 0.00 C ATOM 297 C GLY A 34 -11.776 -7.945 6.040 1.00 0.00 C ATOM 298 O GLY A 34 -12.548 -7.903 5.101 1.00 0.00 O ATOM 0 H GLY A 34 -10.808 -9.196 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.052 -9.220 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.464 -7.806 8.086 1.00 0.00 H new ATOM 302 N VAL A 35 -10.568 -7.461 5.939 1.00 0.00 N ATOM 303 CA VAL A 35 -10.130 -6.849 4.654 1.00 0.00 C ATOM 304 C VAL A 35 -10.187 -7.914 3.557 1.00 0.00 C ATOM 305 O VAL A 35 -10.595 -7.654 2.442 1.00 0.00 O ATOM 306 CB VAL A 35 -8.690 -6.343 4.795 1.00 0.00 C ATOM 307 CG1 VAL A 35 -8.137 -5.947 3.419 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.678 -5.122 5.719 1.00 0.00 C ATOM 0 H VAL A 35 -9.871 -7.463 6.684 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.783 -6.015 4.398 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.067 -7.133 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.113 -5.588 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.150 -6.814 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.755 -5.157 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.657 -4.756 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.303 -4.337 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.066 -5.403 6.698 1.00 0.00 H new ATOM 318 N HIS A 36 -9.781 -9.114 3.869 1.00 0.00 N ATOM 319 CA HIS A 36 -9.809 -10.200 2.852 1.00 0.00 C ATOM 320 C HIS A 36 -11.253 -10.437 2.408 1.00 0.00 C ATOM 321 O HIS A 36 -11.512 -10.840 1.288 1.00 0.00 O ATOM 322 CB HIS A 36 -9.228 -11.480 3.458 1.00 0.00 C ATOM 323 CG HIS A 36 -7.769 -11.264 3.746 1.00 0.00 C ATOM 324 ND1 HIS A 36 -7.327 -10.313 4.652 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.638 -11.856 3.246 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.982 -10.360 4.664 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.512 -11.285 3.826 1.00 0.00 N ATOM 0 H HIS A 36 -9.431 -9.389 4.787 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.211 -9.913 1.987 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.759 -11.738 4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.357 -12.315 2.769 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.914 -9.691 5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.624 -12.648 2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.359 -9.726 5.278 1.00 0.00 H new ATOM 335 N TYR A 37 -12.202 -10.181 3.268 1.00 0.00 N ATOM 336 CA TYR A 37 -13.620 -10.391 2.873 1.00 0.00 C ATOM 337 C TYR A 37 -13.916 -9.494 1.673 1.00 0.00 C ATOM 338 O TYR A 37 -14.415 -9.943 0.659 1.00 0.00 O ATOM 339 CB TYR A 37 -14.545 -10.018 4.034 1.00 0.00 C ATOM 340 CG TYR A 37 -15.973 -10.336 3.661 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.761 -9.372 3.024 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.506 -11.599 3.951 1.00 0.00 C ATOM 343 CE1 TYR A 37 -18.085 -9.669 2.677 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.829 -11.895 3.603 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.619 -10.931 2.967 1.00 0.00 C ATOM 346 OH TYR A 37 -19.923 -11.223 2.625 1.00 0.00 O ATOM 0 H TYR A 37 -12.057 -9.839 4.218 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.787 -11.437 2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.261 -10.568 4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.446 -8.958 4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.349 -8.399 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.897 -12.343 4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.694 -8.925 2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.240 -12.868 3.826 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.135 -12.141 2.896 1.00 0.00 H new ATOM 356 N ARG A 38 -13.583 -8.232 1.762 1.00 0.00 N ATOM 357 CA ARG A 38 -13.817 -7.327 0.600 1.00 0.00 C ATOM 358 C ARG A 38 -12.970 -7.816 -0.575 1.00 0.00 C ATOM 359 O ARG A 38 -13.395 -7.808 -1.713 1.00 0.00 O ATOM 360 CB ARG A 38 -13.400 -5.893 0.956 1.00 0.00 C ATOM 361 CG ARG A 38 -14.484 -5.222 1.803 1.00 0.00 C ATOM 362 CD ARG A 38 -13.947 -3.897 2.352 1.00 0.00 C ATOM 363 NE ARG A 38 -15.083 -3.063 2.869 1.00 0.00 N ATOM 364 CZ ARG A 38 -16.032 -2.632 2.080 1.00 0.00 C ATOM 365 NH1 ARG A 38 -15.954 -2.812 0.789 1.00 0.00 N ATOM 366 NH2 ARG A 38 -17.045 -1.981 2.584 1.00 0.00 N ATOM 0 H ARG A 38 -13.163 -7.793 2.581 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.875 -7.335 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.457 -5.906 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.232 -5.318 0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.375 -5.045 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.778 -5.877 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.231 -4.088 3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.415 -3.357 1.569 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.115 -2.827 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.148 -3.292 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.699 -2.472 0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.093 -1.811 3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.788 -1.642 1.973 1.00 0.00 H new ATOM 380 N ALA A 39 -11.765 -8.233 -0.297 1.00 0.00 N ATOM 381 CA ALA A 39 -10.865 -8.717 -1.380 1.00 0.00 C ATOM 382 C ALA A 39 -11.396 -10.039 -1.939 1.00 0.00 C ATOM 383 O ALA A 39 -10.820 -10.618 -2.838 1.00 0.00 O ATOM 384 CB ALA A 39 -9.453 -8.916 -0.815 1.00 0.00 C ATOM 0 H ALA A 39 -11.364 -8.259 0.640 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.831 -7.981 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.791 -9.270 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.080 -7.968 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.483 -9.651 -0.011 1.00 0.00 H new ATOM 390 N ASN A 40 -12.499 -10.511 -1.430 1.00 0.00 N ATOM 391 CA ASN A 40 -13.070 -11.782 -1.956 1.00 0.00 C ATOM 392 C ASN A 40 -13.681 -11.523 -3.335 1.00 0.00 C ATOM 393 O ASN A 40 -13.371 -12.191 -4.302 1.00 0.00 O ATOM 394 CB ASN A 40 -14.161 -12.287 -1.009 1.00 0.00 C ATOM 395 CG ASN A 40 -14.599 -13.687 -1.442 1.00 0.00 C ATOM 396 OD1 ASN A 40 -14.294 -14.120 -2.535 1.00 0.00 O ATOM 397 ND2 ASN A 40 -15.310 -14.417 -0.626 1.00 0.00 N ATOM 0 H ASN A 40 -13.028 -10.074 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.282 -12.531 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.787 -12.311 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.013 -11.607 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.609 -15.351 -0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -15.566 -14.053 0.292 1.00 0.00 H new ATOM 404 N VAL A 41 -14.550 -10.553 -3.426 1.00 0.00 N ATOM 405 CA VAL A 41 -15.187 -10.243 -4.737 1.00 0.00 C ATOM 406 C VAL A 41 -14.142 -9.630 -5.674 1.00 0.00 C ATOM 407 O VAL A 41 -14.087 -9.942 -6.847 1.00 0.00 O ATOM 408 CB VAL A 41 -16.336 -9.250 -4.526 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.844 -8.741 -5.881 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.481 -9.947 -3.787 1.00 0.00 C ATOM 0 H VAL A 41 -14.846 -9.962 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.580 -11.159 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.975 -8.406 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.660 -8.036 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.032 -8.243 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.202 -9.582 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.299 -9.242 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.834 -10.792 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.126 -10.304 -2.820 1.00 0.00 H new ATOM 420 N GLN A 42 -13.321 -8.750 -5.166 1.00 0.00 N ATOM 421 CA GLN A 42 -12.289 -8.103 -6.025 1.00 0.00 C ATOM 422 C GLN A 42 -11.064 -9.012 -6.139 1.00 0.00 C ATOM 423 O GLN A 42 -10.750 -9.764 -5.238 1.00 0.00 O ATOM 424 CB GLN A 42 -11.880 -6.768 -5.403 1.00 0.00 C ATOM 425 CG GLN A 42 -13.039 -5.774 -5.516 1.00 0.00 C ATOM 426 CD GLN A 42 -13.244 -5.391 -6.983 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.426 -4.706 -7.564 1.00 0.00 O ATOM 428 NE2 GLN A 42 -14.309 -5.809 -7.612 1.00 0.00 N ATOM 0 H GLN A 42 -13.321 -8.451 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.701 -7.933 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.610 -6.910 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.999 -6.374 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.951 -6.216 -5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.828 -4.884 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.996 -6.384 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.454 -5.560 -8.591 1.00 0.00 H new ATOM 437 N GLY A 43 -10.369 -8.940 -7.249 1.00 0.00 N ATOM 438 CA GLY A 43 -9.152 -9.789 -7.454 1.00 0.00 C ATOM 439 C GLY A 43 -7.911 -8.895 -7.512 1.00 0.00 C ATOM 440 O GLY A 43 -7.303 -8.729 -8.551 1.00 0.00 O ATOM 0 H GLY A 43 -10.595 -8.323 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.057 -10.509 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.245 -10.360 -8.377 1.00 0.00 H new ATOM 444 N TRP A 44 -7.527 -8.323 -6.404 1.00 0.00 N ATOM 445 CA TRP A 44 -6.322 -7.445 -6.399 1.00 0.00 C ATOM 446 C TRP A 44 -5.084 -8.299 -6.673 1.00 0.00 C ATOM 447 O TRP A 44 -5.116 -9.508 -6.555 1.00 0.00 O ATOM 448 CB TRP A 44 -6.134 -6.795 -5.023 1.00 0.00 C ATOM 449 CG TRP A 44 -7.387 -6.135 -4.549 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.503 -5.918 -5.282 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.656 -5.600 -3.223 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.440 -5.279 -4.485 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.962 -5.064 -3.206 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.893 -5.532 -2.044 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.494 -4.478 -2.055 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.419 -4.948 -0.886 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.720 -4.420 -0.891 1.00 0.00 C ATOM 0 H TRP A 44 -7.994 -8.425 -5.503 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.454 -6.675 -7.159 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.826 -7.552 -4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.332 -6.059 -5.075 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.641 -6.196 -6.316 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.368 -5.001 -4.803 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.891 -5.934 -2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.495 -4.073 -2.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.823 -4.903 0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -9.123 -3.969 0.004 1.00 0.00 H new ATOM 468 N THR A 45 -3.980 -7.682 -6.991 1.00 0.00 N ATOM 469 CA THR A 45 -2.738 -8.468 -7.214 1.00 0.00 C ATOM 470 C THR A 45 -2.242 -8.913 -5.838 1.00 0.00 C ATOM 471 O THR A 45 -2.160 -8.122 -4.920 1.00 0.00 O ATOM 472 CB THR A 45 -1.689 -7.585 -7.903 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.026 -7.442 -9.276 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.293 -8.208 -7.779 1.00 0.00 C ATOM 0 H THR A 45 -3.886 -6.673 -7.105 1.00 0.00 H new ATOM 0 HA THR A 45 -2.921 -9.332 -7.853 1.00 0.00 H new ATOM 0 HB THR A 45 -1.677 -6.608 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.359 -6.877 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.437 -7.567 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.032 -8.309 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.290 -9.191 -8.249 1.00 0.00 H new ATOM 482 N LYS A 46 -1.948 -10.178 -5.675 1.00 0.00 N ATOM 483 CA LYS A 46 -1.502 -10.680 -4.335 1.00 0.00 C ATOM 484 C LYS A 46 -0.253 -11.549 -4.471 1.00 0.00 C ATOM 485 O LYS A 46 -0.046 -12.217 -5.464 1.00 0.00 O ATOM 486 CB LYS A 46 -2.636 -11.518 -3.740 1.00 0.00 C ATOM 487 CG LYS A 46 -3.810 -10.603 -3.395 1.00 0.00 C ATOM 488 CD LYS A 46 -5.058 -11.444 -3.094 1.00 0.00 C ATOM 489 CE LYS A 46 -4.825 -12.326 -1.856 1.00 0.00 C ATOM 490 NZ LYS A 46 -4.278 -13.643 -2.287 1.00 0.00 N ATOM 0 H LYS A 46 -1.997 -10.885 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.263 -9.834 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.951 -12.282 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.290 -12.038 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.560 -9.986 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.009 -9.925 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.913 -10.790 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.299 -12.069 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.131 -11.837 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.760 -12.467 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.849 -14.408 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.309 -13.709 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.294 -13.733 -1.963 1.00 0.00 H new ATOM 504 N ARG A 47 0.569 -11.552 -3.455 1.00 0.00 N ATOM 505 CA ARG A 47 1.809 -12.383 -3.474 1.00 0.00 C ATOM 506 C ARG A 47 2.139 -12.790 -2.038 1.00 0.00 C ATOM 507 O ARG A 47 1.425 -12.450 -1.114 1.00 0.00 O ATOM 508 CB ARG A 47 2.979 -11.599 -4.085 1.00 0.00 C ATOM 509 CG ARG A 47 3.260 -10.333 -3.270 1.00 0.00 C ATOM 510 CD ARG A 47 4.459 -9.599 -3.876 1.00 0.00 C ATOM 511 NE ARG A 47 4.715 -8.347 -3.109 1.00 0.00 N ATOM 512 CZ ARG A 47 5.855 -7.726 -3.236 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.774 -8.200 -4.033 1.00 0.00 N ATOM 514 NH2 ARG A 47 6.078 -6.629 -2.564 1.00 0.00 N ATOM 0 H ARG A 47 0.432 -11.008 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 47 1.646 -13.269 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.870 -12.226 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.746 -11.331 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.384 -9.685 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.465 -10.593 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.341 -10.239 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.264 -9.364 -4.922 1.00 0.00 H new ATOM 0 HE ARG A 47 3.999 -7.976 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.601 -9.057 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.665 -7.713 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.361 -6.258 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.969 -6.143 -2.663 1.00 0.00 H new ATOM 678 N VAL A 58 1.795 -11.799 3.849 1.00 0.00 N ATOM 679 CA VAL A 58 1.003 -11.608 2.591 1.00 0.00 C ATOM 680 C VAL A 58 0.948 -10.108 2.283 1.00 0.00 C ATOM 681 O VAL A 58 0.837 -9.293 3.178 1.00 0.00 O ATOM 682 CB VAL A 58 -0.423 -12.143 2.794 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.434 -13.667 2.659 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.919 -11.756 4.190 1.00 0.00 C ATOM 0 HA VAL A 58 1.469 -12.147 1.766 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.077 -11.710 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.449 -14.038 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.084 -13.947 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.223 -14.104 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.931 -12.135 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.259 -12.187 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.921 -10.670 4.287 1.00 0.00 H new ATOM 694 N GLU A 59 1.039 -9.734 1.027 1.00 0.00 N ATOM 695 CA GLU A 59 1.010 -8.278 0.658 1.00 0.00 C ATOM 696 C GLU A 59 0.009 -8.028 -0.472 1.00 0.00 C ATOM 697 O GLU A 59 -0.300 -8.906 -1.259 1.00 0.00 O ATOM 698 CB GLU A 59 2.405 -7.844 0.196 1.00 0.00 C ATOM 699 CG GLU A 59 3.332 -7.717 1.407 1.00 0.00 C ATOM 700 CD GLU A 59 4.723 -7.285 0.937 1.00 0.00 C ATOM 701 OE1 GLU A 59 4.952 -7.296 -0.261 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.537 -6.955 1.784 1.00 0.00 O ATOM 0 H GLU A 59 1.132 -10.375 0.239 1.00 0.00 H new ATOM 0 HA GLU A 59 0.707 -7.703 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.808 -8.572 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.345 -6.891 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.931 -6.988 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.393 -8.669 1.934 1.00 0.00 H new ATOM 709 N TYR A 60 -0.489 -6.817 -0.549 1.00 0.00 N ATOM 710 CA TYR A 60 -1.472 -6.442 -1.608 1.00 0.00 C ATOM 711 C TYR A 60 -0.952 -5.193 -2.331 1.00 0.00 C ATOM 712 O TYR A 60 -0.470 -4.265 -1.710 1.00 0.00 O ATOM 713 CB TYR A 60 -2.807 -6.118 -0.936 1.00 0.00 C ATOM 714 CG TYR A 60 -3.353 -7.362 -0.275 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.902 -7.735 0.997 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.314 -8.140 -0.931 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.413 -8.887 1.611 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.824 -9.288 -0.317 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.375 -9.662 0.953 1.00 0.00 C ATOM 720 OH TYR A 60 -4.877 -10.797 1.552 1.00 0.00 O ATOM 0 H TYR A 60 -0.249 -6.060 0.091 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.603 -7.257 -2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.672 -5.329 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.517 -5.744 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.161 -7.136 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.662 -7.853 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.065 -9.176 2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.566 -9.887 -0.825 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.864 -10.686 2.526 1.00 0.00 H new ATOM 730 N ASP A 61 -1.039 -5.157 -3.635 1.00 0.00 N ATOM 731 CA ASP A 61 -0.541 -3.964 -4.389 1.00 0.00 C ATOM 732 C ASP A 61 -1.659 -2.925 -4.508 1.00 0.00 C ATOM 733 O ASP A 61 -2.673 -3.162 -5.132 1.00 0.00 O ATOM 734 CB ASP A 61 -0.105 -4.393 -5.790 1.00 0.00 C ATOM 735 CG ASP A 61 0.539 -3.208 -6.515 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.403 -2.098 -6.029 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.155 -3.433 -7.544 1.00 0.00 O ATOM 0 H ASP A 61 -1.433 -5.900 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 61 0.305 -3.530 -3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.602 -5.220 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.965 -4.754 -6.355 1.00 0.00 H new ATOM 742 N VAL A 62 -1.482 -1.773 -3.920 1.00 0.00 N ATOM 743 CA VAL A 62 -2.532 -0.716 -4.004 1.00 0.00 C ATOM 744 C VAL A 62 -2.663 -0.242 -5.456 1.00 0.00 C ATOM 745 O VAL A 62 -3.666 0.320 -5.851 1.00 0.00 O ATOM 746 CB VAL A 62 -2.121 0.463 -3.114 1.00 0.00 C ATOM 747 CG1 VAL A 62 -3.299 1.436 -2.933 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.673 -0.068 -1.747 1.00 0.00 C ATOM 0 H VAL A 62 -0.653 -1.517 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.489 -1.115 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.299 0.998 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.990 2.267 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.609 1.818 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.134 0.914 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.380 0.767 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.496 -0.609 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.825 -0.740 -1.878 1.00 0.00 H new ATOM 758 N MET A 63 -1.651 -0.455 -6.251 1.00 0.00 N ATOM 759 CA MET A 63 -1.708 -0.002 -7.671 1.00 0.00 C ATOM 760 C MET A 63 -2.685 -0.889 -8.452 1.00 0.00 C ATOM 761 O MET A 63 -2.960 -0.649 -9.611 1.00 0.00 O ATOM 762 CB MET A 63 -0.304 -0.111 -8.286 1.00 0.00 C ATOM 763 CG MET A 63 -0.205 0.775 -9.534 1.00 0.00 C ATOM 764 SD MET A 63 -0.140 2.517 -9.040 1.00 0.00 S ATOM 765 CE MET A 63 1.653 2.626 -8.798 1.00 0.00 C ATOM 0 H MET A 63 -0.786 -0.923 -5.979 1.00 0.00 H new ATOM 0 HA MET A 63 -2.049 1.032 -7.717 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.446 0.192 -7.555 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.093 -1.148 -8.549 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.685 0.516 -10.107 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.063 0.603 -10.184 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.917 3.636 -8.485 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.960 1.916 -8.030 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.161 2.392 -9.733 1.00 0.00 H new ATOM 775 N SER A 64 -3.209 -1.914 -7.826 1.00 0.00 N ATOM 776 CA SER A 64 -4.169 -2.827 -8.528 1.00 0.00 C ATOM 777 C SER A 64 -5.597 -2.572 -8.032 1.00 0.00 C ATOM 778 O SER A 64 -6.558 -2.941 -8.678 1.00 0.00 O ATOM 779 CB SER A 64 -3.790 -4.277 -8.227 1.00 0.00 C ATOM 780 OG SER A 64 -4.636 -5.148 -8.966 1.00 0.00 O ATOM 0 H SER A 64 -3.014 -2.160 -6.856 1.00 0.00 H new ATOM 0 HA SER A 64 -4.122 -2.639 -9.601 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.747 -4.454 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.887 -4.476 -7.160 1.00 0.00 H new ATOM 0 HG SER A 64 -5.527 -4.747 -9.048 1.00 0.00 H new ATOM 786 N MET A 65 -5.752 -1.949 -6.894 1.00 0.00 N ATOM 787 CA MET A 65 -7.127 -1.682 -6.373 1.00 0.00 C ATOM 788 C MET A 65 -7.730 -0.455 -7.081 1.00 0.00 C ATOM 789 O MET A 65 -7.013 0.458 -7.439 1.00 0.00 O ATOM 790 CB MET A 65 -7.057 -1.398 -4.871 1.00 0.00 C ATOM 791 CG MET A 65 -6.475 -2.605 -4.138 1.00 0.00 C ATOM 792 SD MET A 65 -6.942 -2.508 -2.396 1.00 0.00 S ATOM 793 CE MET A 65 -5.537 -1.518 -1.839 1.00 0.00 C ATOM 0 H MET A 65 -4.990 -1.614 -6.304 1.00 0.00 H new ATOM 0 HA MET A 65 -7.751 -2.556 -6.561 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.440 -0.518 -4.687 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.053 -1.175 -4.488 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.848 -3.530 -4.578 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.390 -2.620 -4.238 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.701 -1.200 -0.810 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.627 -2.115 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.434 -0.641 -2.478 1.00 0.00 H new ATOM 803 N PRO A 66 -9.034 -0.407 -7.264 1.00 0.00 N ATOM 804 CA PRO A 66 -9.695 0.762 -7.914 1.00 0.00 C ATOM 805 C PRO A 66 -9.137 2.092 -7.387 1.00 0.00 C ATOM 806 O PRO A 66 -8.501 2.140 -6.353 1.00 0.00 O ATOM 807 CB PRO A 66 -11.169 0.606 -7.520 1.00 0.00 C ATOM 808 CG PRO A 66 -11.370 -0.866 -7.345 1.00 0.00 C ATOM 809 CD PRO A 66 -10.019 -1.442 -6.887 1.00 0.00 C ATOM 0 HA PRO A 66 -9.534 0.782 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.391 1.147 -6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.828 1.005 -8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.147 -1.066 -6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.691 -1.327 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.009 -1.628 -5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.805 -2.392 -7.377 1.00 0.00 H new ATOM 817 N THR A 67 -9.373 3.167 -8.084 1.00 0.00 N ATOM 818 CA THR A 67 -8.861 4.489 -7.620 1.00 0.00 C ATOM 819 C THR A 67 -9.484 4.857 -6.266 1.00 0.00 C ATOM 820 O THR A 67 -8.829 5.411 -5.405 1.00 0.00 O ATOM 821 CB THR A 67 -9.214 5.559 -8.656 1.00 0.00 C ATOM 822 OG1 THR A 67 -8.615 5.225 -9.900 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.690 6.919 -8.187 1.00 0.00 C ATOM 0 H THR A 67 -9.899 3.189 -8.957 1.00 0.00 H new ATOM 0 HA THR A 67 -7.779 4.431 -7.503 1.00 0.00 H new ATOM 0 HB THR A 67 -10.297 5.609 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.841 5.908 -10.566 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.942 7.680 -8.925 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.147 7.175 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.607 6.871 -8.070 1.00 0.00 H new ATOM 831 N LYS A 68 -10.751 4.582 -6.081 1.00 0.00 N ATOM 832 CA LYS A 68 -11.422 4.951 -4.794 1.00 0.00 C ATOM 833 C LYS A 68 -10.667 4.350 -3.602 1.00 0.00 C ATOM 834 O LYS A 68 -10.346 5.037 -2.652 1.00 0.00 O ATOM 835 CB LYS A 68 -12.844 4.386 -4.788 1.00 0.00 C ATOM 836 CG LYS A 68 -13.719 5.134 -5.793 1.00 0.00 C ATOM 837 CD LYS A 68 -15.129 4.543 -5.758 1.00 0.00 C ATOM 838 CE LYS A 68 -16.023 5.277 -6.758 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.379 4.659 -6.755 1.00 0.00 N ATOM 0 H LYS A 68 -11.350 4.118 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.434 6.038 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.821 3.325 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.272 4.472 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.749 6.196 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.299 5.049 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.094 3.481 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.544 4.629 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.092 6.333 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.590 5.225 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.989 5.157 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.305 3.658 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.791 4.731 -5.803 1.00 0.00 H new ATOM 853 N GLU A 69 -10.385 3.078 -3.637 1.00 0.00 N ATOM 854 CA GLU A 69 -9.654 2.445 -2.499 1.00 0.00 C ATOM 855 C GLU A 69 -8.240 3.021 -2.406 1.00 0.00 C ATOM 856 O GLU A 69 -7.720 3.248 -1.332 1.00 0.00 O ATOM 857 CB GLU A 69 -9.581 0.931 -2.703 1.00 0.00 C ATOM 858 CG GLU A 69 -10.965 0.315 -2.477 1.00 0.00 C ATOM 859 CD GLU A 69 -10.892 -1.196 -2.700 1.00 0.00 C ATOM 860 OE1 GLU A 69 -9.794 -1.698 -2.872 1.00 0.00 O ATOM 861 OE2 GLU A 69 -11.937 -1.827 -2.692 1.00 0.00 O ATOM 0 H GLU A 69 -10.628 2.448 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.189 2.655 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.232 0.706 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.860 0.495 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.309 0.528 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.689 0.760 -3.160 1.00 0.00 H new ATOM 868 N ARG A 70 -7.613 3.247 -3.524 1.00 0.00 N ATOM 869 CA ARG A 70 -6.229 3.795 -3.510 1.00 0.00 C ATOM 870 C ARG A 70 -6.210 5.151 -2.800 1.00 0.00 C ATOM 871 O ARG A 70 -5.342 5.430 -1.997 1.00 0.00 O ATOM 872 CB ARG A 70 -5.769 3.980 -4.958 1.00 0.00 C ATOM 873 CG ARG A 70 -4.319 4.466 -4.997 1.00 0.00 C ATOM 874 CD ARG A 70 -3.906 4.677 -6.453 1.00 0.00 C ATOM 875 NE ARG A 70 -4.047 3.400 -7.205 1.00 0.00 N ATOM 876 CZ ARG A 70 -4.100 3.416 -8.507 1.00 0.00 C ATOM 877 NH1 ARG A 70 -4.025 4.550 -9.148 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.233 2.298 -9.170 1.00 0.00 N ATOM 0 H ARG A 70 -8.001 3.075 -4.452 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.567 3.109 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.858 3.038 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.414 4.699 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.218 5.396 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.664 3.736 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.526 5.449 -6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.875 5.027 -6.501 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.102 2.514 -6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.925 5.423 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.066 4.563 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.295 1.412 -8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.274 2.311 -10.189 1.00 0.00 H new ATOM 892 N GLU A 71 -7.153 6.002 -3.098 1.00 0.00 N ATOM 893 CA GLU A 71 -7.178 7.346 -2.452 1.00 0.00 C ATOM 894 C GLU A 71 -7.359 7.208 -0.935 1.00 0.00 C ATOM 895 O GLU A 71 -6.762 7.934 -0.162 1.00 0.00 O ATOM 896 CB GLU A 71 -8.343 8.155 -3.025 1.00 0.00 C ATOM 897 CG GLU A 71 -8.040 8.527 -4.479 1.00 0.00 C ATOM 898 CD GLU A 71 -9.234 9.274 -5.076 1.00 0.00 C ATOM 899 OE1 GLU A 71 -10.150 9.579 -4.330 1.00 0.00 O ATOM 900 OE2 GLU A 71 -9.211 9.530 -6.268 1.00 0.00 O ATOM 0 H GLU A 71 -7.908 5.825 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.233 7.852 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.264 7.574 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.500 9.057 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.147 9.150 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.833 7.628 -5.060 1.00 0.00 H new ATOM 907 N GLN A 72 -8.190 6.299 -0.501 1.00 0.00 N ATOM 908 CA GLN A 72 -8.426 6.136 0.964 1.00 0.00 C ATOM 909 C GLN A 72 -7.171 5.573 1.642 1.00 0.00 C ATOM 910 O GLN A 72 -6.810 5.984 2.727 1.00 0.00 O ATOM 911 CB GLN A 72 -9.606 5.188 1.187 1.00 0.00 C ATOM 912 CG GLN A 72 -10.906 5.878 0.754 1.00 0.00 C ATOM 913 CD GLN A 72 -11.226 7.030 1.710 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.227 6.856 2.913 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.497 8.211 1.223 1.00 0.00 N ATOM 0 H GLN A 72 -8.717 5.661 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.653 7.109 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.462 4.270 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.665 4.905 2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.807 6.255 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.726 5.159 0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.497 8.359 0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.709 8.986 1.852 1.00 0.00 H new ATOM 924 N VAL A 73 -6.500 4.644 1.019 1.00 0.00 N ATOM 925 CA VAL A 73 -5.272 4.076 1.644 1.00 0.00 C ATOM 926 C VAL A 73 -4.200 5.165 1.705 1.00 0.00 C ATOM 927 O VAL A 73 -3.538 5.348 2.709 1.00 0.00 O ATOM 928 CB VAL A 73 -4.769 2.900 0.796 1.00 0.00 C ATOM 929 CG1 VAL A 73 -3.376 2.466 1.273 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.743 1.720 0.927 1.00 0.00 C ATOM 0 H VAL A 73 -6.747 4.255 0.109 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.493 3.723 2.651 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.709 3.213 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.027 1.631 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.682 3.301 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.429 2.158 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.386 0.885 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.805 1.414 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.730 2.023 0.578 1.00 0.00 H new ATOM 940 N ILE A 74 -4.029 5.894 0.641 1.00 0.00 N ATOM 941 CA ILE A 74 -3.010 6.978 0.633 1.00 0.00 C ATOM 942 C ILE A 74 -3.335 8.001 1.728 1.00 0.00 C ATOM 943 O ILE A 74 -2.458 8.500 2.400 1.00 0.00 O ATOM 944 CB ILE A 74 -2.968 7.644 -0.744 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.363 6.652 -1.744 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.103 8.909 -0.686 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.501 7.193 -3.164 1.00 0.00 C ATOM 0 H ILE A 74 -4.553 5.786 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.026 6.555 0.837 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.976 7.923 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.312 6.483 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.866 5.688 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.078 9.378 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.526 9.606 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.090 8.643 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.069 6.482 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.556 7.338 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.977 8.146 -3.243 1.00 0.00 H new ATOM 959 N ALA A 75 -4.585 8.322 1.913 1.00 0.00 N ATOM 960 CA ALA A 75 -4.944 9.314 2.967 1.00 0.00 C ATOM 961 C ALA A 75 -4.385 8.837 4.309 1.00 0.00 C ATOM 962 O ALA A 75 -3.901 9.618 5.108 1.00 0.00 O ATOM 963 CB ALA A 75 -6.466 9.433 3.060 1.00 0.00 C ATOM 0 H ALA A 75 -5.370 7.943 1.384 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.523 10.288 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.728 10.158 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.864 9.763 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.892 8.463 3.315 1.00 0.00 H new ATOM 969 N HIS A 76 -4.440 7.558 4.562 1.00 0.00 N ATOM 970 CA HIS A 76 -3.904 7.028 5.847 1.00 0.00 C ATOM 971 C HIS A 76 -2.391 7.261 5.891 1.00 0.00 C ATOM 972 O HIS A 76 -1.827 7.527 6.932 1.00 0.00 O ATOM 973 CB HIS A 76 -4.200 5.529 5.946 1.00 0.00 C ATOM 974 CG HIS A 76 -3.937 5.055 7.350 1.00 0.00 C ATOM 975 ND1 HIS A 76 -2.774 4.766 8.019 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -4.962 4.819 8.254 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -3.067 4.356 9.316 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -4.399 4.407 9.405 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.833 6.857 3.934 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.377 7.541 6.684 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.237 5.334 5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.577 4.978 5.242 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.019 4.943 8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.368 4.060 10.085 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.926 4.163 10.244 1.00 0.00 H new ATOM 986 N LEU A 77 -1.727 7.169 4.766 1.00 0.00 N ATOM 987 CA LEU A 77 -0.251 7.391 4.751 1.00 0.00 C ATOM 988 C LEU A 77 0.047 8.807 5.248 1.00 0.00 C ATOM 989 O LEU A 77 0.993 9.033 5.975 1.00 0.00 O ATOM 990 CB LEU A 77 0.293 7.247 3.323 1.00 0.00 C ATOM 991 CG LEU A 77 0.044 5.828 2.790 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.528 5.739 1.331 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.805 4.802 3.653 1.00 0.00 C ATOM 0 H LEU A 77 -2.143 6.950 3.861 1.00 0.00 H new ATOM 0 HA LEU A 77 0.225 6.652 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.187 7.976 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.361 7.463 3.311 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.023 5.608 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.353 4.733 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.019 6.458 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.594 5.963 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.624 3.798 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.873 5.017 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.457 4.865 4.684 1.00 0.00 H new