USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 918 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 47 THR OG1 : rot -109:sc= 0.0304 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-8.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -177:sc= -3.25! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 79:sc= -2.46 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.77! C(o=-3.2!,f=-1.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -50:sc= -3.55 USER MOD Single : A 57 MET CE :methyl -168:sc= 0 (180deg=-0.15) USER MOD Single : A 60 MET CE :methyl 150:sc= -0.375 (180deg=-1.39!) USER MOD Single : A 67 LYS NZ :NH3+ 125:sc= -0.172 (180deg=-0.782) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.389 F(o=-1.2,f=-0.39) USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= -1.21 (180deg=-1.29) USER MOD Single : A 71 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.3) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 137:sc= -0.0587 (180deg=-0.961) USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.793 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.851 F(o=-1.6,f=-0.85) USER MOD Single : A 85 SER OG : rot -52:sc= 1.2 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 32:sc= 0.00167 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.85 F(o=-4.5!,f=-1.9) USER MOD Single : A 96 GLN :FLIP amide:sc= -3.39! C(o=-6.8!,f=-3.4!) USER MOD Single : A 101 TYR OH : rot 0:sc= -3.27 USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.0861 (180deg=-0.455) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.042 K(o=0.042,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 10.835 -13.870 0.419 1.00 0.00 N ATOM 38 CA ARG A 3 11.547 -13.010 -0.528 1.00 0.00 C ATOM 39 C ARG A 3 11.361 -11.524 -0.204 1.00 0.00 C ATOM 40 O ARG A 3 12.038 -10.671 -0.779 1.00 0.00 O ATOM 41 CB ARG A 3 11.093 -13.304 -1.961 1.00 0.00 C ATOM 42 CG ARG A 3 11.762 -12.430 -3.008 1.00 0.00 C ATOM 43 CD ARG A 3 11.671 -13.060 -4.387 1.00 0.00 C ATOM 44 NE ARG A 3 12.251 -12.203 -5.421 1.00 0.00 N ATOM 45 CZ ARG A 3 13.168 -12.609 -6.299 1.00 0.00 C ATOM 46 NH1 ARG A 3 13.639 -13.850 -6.262 1.00 0.00 N ATOM 47 NH2 ARG A 3 13.620 -11.766 -7.218 1.00 0.00 N ATOM 0 HA ARG A 3 12.610 -13.234 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.298 -14.350 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.013 -13.169 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.289 -11.448 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.808 -12.277 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.186 -14.021 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.626 -13.260 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 3 11.934 -11.235 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.299 -14.504 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.341 -14.150 -6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.266 -10.810 -7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.322 -12.074 -7.891 1.00 0.00 H new ATOM 61 N GLY A 4 10.456 -11.216 0.723 1.00 0.00 N ATOM 62 CA GLY A 4 10.218 -9.836 1.106 1.00 0.00 C ATOM 63 C GLY A 4 9.960 -8.918 -0.074 1.00 0.00 C ATOM 64 O GLY A 4 10.815 -8.112 -0.437 1.00 0.00 O ATOM 0 H GLY A 4 9.883 -11.900 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.363 -9.797 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.080 -9.467 1.662 1.00 0.00 H new ATOM 68 N ILE A 5 8.776 -9.027 -0.667 1.00 0.00 N ATOM 69 CA ILE A 5 8.414 -8.186 -1.800 1.00 0.00 C ATOM 70 C ILE A 5 7.430 -7.102 -1.384 1.00 0.00 C ATOM 71 O ILE A 5 6.279 -7.390 -1.051 1.00 0.00 O ATOM 72 CB ILE A 5 7.784 -8.993 -2.951 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.589 -10.263 -3.217 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.686 -8.137 -4.207 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.226 -11.408 -2.298 1.00 0.00 C ATOM 0 H ILE A 5 8.053 -9.688 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 5 9.344 -7.738 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 5 6.776 -9.287 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.434 -10.573 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.650 -10.041 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.239 -8.721 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.066 -7.264 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.683 -7.813 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.836 -12.278 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.408 -11.116 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.172 -11.656 -2.425 1.00 0.00 H new ATOM 87 N VAL A 6 7.879 -5.857 -1.425 1.00 0.00 N ATOM 88 CA VAL A 6 7.022 -4.738 -1.073 1.00 0.00 C ATOM 89 C VAL A 6 6.596 -3.987 -2.325 1.00 0.00 C ATOM 90 O VAL A 6 7.432 -3.557 -3.113 1.00 0.00 O ATOM 91 CB VAL A 6 7.712 -3.745 -0.114 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.019 -3.250 -0.708 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.776 -2.586 0.188 1.00 0.00 C ATOM 0 H VAL A 6 8.827 -5.598 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 6 6.155 -5.159 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 6 7.944 -4.256 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.491 -2.551 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.685 -4.096 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.821 -2.747 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.268 -1.888 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.521 -2.073 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.867 -2.965 0.655 1.00 0.00 H new ATOM 103 N TRP A 7 5.294 -3.823 -2.501 1.00 0.00 N ATOM 104 CA TRP A 7 4.777 -3.109 -3.657 1.00 0.00 C ATOM 105 C TRP A 7 4.061 -1.842 -3.217 1.00 0.00 C ATOM 106 O TRP A 7 3.260 -1.857 -2.287 1.00 0.00 O ATOM 107 CB TRP A 7 3.854 -4.009 -4.479 1.00 0.00 C ATOM 108 CG TRP A 7 4.609 -4.957 -5.366 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.961 -5.161 -5.382 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.062 -5.826 -6.365 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.290 -6.091 -6.335 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.142 -6.518 -6.951 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.769 -6.087 -6.824 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.964 -7.450 -7.971 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.594 -7.012 -7.836 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.686 -7.683 -8.399 1.00 0.00 C ATOM 0 H TRP A 7 4.580 -4.173 -1.862 1.00 0.00 H new ATOM 0 HA TRP A 7 5.614 -2.822 -4.294 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.215 -4.579 -3.805 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.199 -3.389 -5.091 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.668 -4.661 -4.737 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.234 -6.412 -6.550 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.920 -5.575 -6.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.804 -7.969 -8.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.598 -7.221 -8.198 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.516 -8.400 -9.188 1.00 0.00 H new ATOM 127 N VAL A 8 4.385 -0.740 -3.872 1.00 0.00 N ATOM 128 CA VAL A 8 3.805 0.552 -3.534 1.00 0.00 C ATOM 129 C VAL A 8 3.020 1.141 -4.704 1.00 0.00 C ATOM 130 O VAL A 8 3.383 0.953 -5.858 1.00 0.00 O ATOM 131 CB VAL A 8 4.920 1.531 -3.118 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.344 2.870 -2.678 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.778 0.920 -2.018 1.00 0.00 C ATOM 0 H VAL A 8 5.050 -0.713 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 8 3.113 0.400 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 8 5.551 1.715 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.156 3.539 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.783 3.313 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.680 2.719 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.561 1.623 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.156 0.701 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.232 -0.002 -2.381 1.00 0.00 H new ATOM 143 N VAL A 9 1.942 1.854 -4.403 1.00 0.00 N ATOM 144 CA VAL A 9 1.117 2.469 -5.439 1.00 0.00 C ATOM 145 C VAL A 9 0.924 3.963 -5.157 1.00 0.00 C ATOM 146 O VAL A 9 0.366 4.343 -4.129 1.00 0.00 O ATOM 147 CB VAL A 9 -0.266 1.777 -5.562 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.540 1.389 -7.009 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.348 0.555 -4.656 1.00 0.00 C ATOM 0 H VAL A 9 1.617 2.022 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 9 1.643 2.344 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.029 2.486 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.514 0.905 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.534 2.283 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.232 0.701 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.328 0.089 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.426 -0.159 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.201 0.860 -3.620 1.00 0.00 H new ATOM 159 N ASP A 10 1.405 4.806 -6.075 1.00 0.00 N ATOM 160 CA ASP A 10 1.300 6.256 -5.924 1.00 0.00 C ATOM 161 C ASP A 10 1.546 6.959 -7.258 1.00 0.00 C ATOM 162 O ASP A 10 1.418 6.352 -8.319 1.00 0.00 O ATOM 163 CB ASP A 10 2.303 6.751 -4.874 1.00 0.00 C ATOM 164 CG ASP A 10 1.706 7.801 -3.958 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.852 8.581 -4.428 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.090 7.844 -2.770 1.00 0.00 O ATOM 0 H ASP A 10 1.871 4.506 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 10 0.290 6.494 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.648 5.906 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.177 7.165 -5.377 1.00 0.00 H new ATOM 171 N ASP A 11 1.896 8.238 -7.201 1.00 0.00 N ATOM 172 CA ASP A 11 2.154 9.020 -8.408 1.00 0.00 C ATOM 173 C ASP A 11 3.417 8.554 -9.142 1.00 0.00 C ATOM 174 O ASP A 11 3.773 9.111 -10.182 1.00 0.00 O ATOM 175 CB ASP A 11 2.280 10.503 -8.062 1.00 0.00 C ATOM 176 CG ASP A 11 1.502 11.384 -9.020 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.262 11.244 -9.076 1.00 0.00 O ATOM 178 OD2 ASP A 11 2.131 12.207 -9.715 1.00 0.00 O ATOM 0 H ASP A 11 2.008 8.758 -6.331 1.00 0.00 H new ATOM 0 HA ASP A 11 1.306 8.867 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.921 10.669 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.331 10.790 -8.080 1.00 0.00 H new ATOM 183 N ASP A 12 4.093 7.536 -8.605 1.00 0.00 N ATOM 184 CA ASP A 12 5.310 7.014 -9.226 1.00 0.00 C ATOM 185 C ASP A 12 6.430 8.059 -9.197 1.00 0.00 C ATOM 186 O ASP A 12 6.396 8.987 -8.393 1.00 0.00 O ATOM 187 CB ASP A 12 5.019 6.583 -10.666 1.00 0.00 C ATOM 188 CG ASP A 12 5.797 5.345 -11.072 1.00 0.00 C ATOM 189 OD1 ASP A 12 5.469 4.247 -10.576 1.00 0.00 O ATOM 190 OD2 ASP A 12 6.732 5.475 -11.891 1.00 0.00 O ATOM 0 H ASP A 12 3.819 7.059 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 12 5.643 6.146 -8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.952 6.389 -10.775 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.265 7.401 -11.343 1.00 0.00 H new ATOM 195 N SER A 13 7.412 7.904 -10.092 1.00 0.00 N ATOM 196 CA SER A 13 8.540 8.826 -10.201 1.00 0.00 C ATOM 197 C SER A 13 8.991 9.382 -8.847 1.00 0.00 C ATOM 198 O SER A 13 9.842 8.792 -8.182 1.00 0.00 O ATOM 199 CB SER A 13 8.176 9.939 -11.176 1.00 0.00 C ATOM 200 OG SER A 13 9.329 10.458 -11.817 1.00 0.00 O ATOM 0 H SER A 13 7.444 7.134 -10.760 1.00 0.00 H new ATOM 0 HA SER A 13 9.398 8.272 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.482 9.557 -11.925 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.662 10.739 -10.643 1.00 0.00 H new ATOM 0 HG SER A 13 9.066 11.169 -12.438 1.00 0.00 H new ATOM 206 N SER A 14 8.429 10.515 -8.448 1.00 0.00 N ATOM 207 CA SER A 14 8.787 11.144 -7.181 1.00 0.00 C ATOM 208 C SER A 14 8.536 10.204 -6.004 1.00 0.00 C ATOM 209 O SER A 14 9.437 9.937 -5.210 1.00 0.00 O ATOM 210 CB SER A 14 7.994 12.437 -6.987 1.00 0.00 C ATOM 211 OG SER A 14 8.681 13.334 -6.131 1.00 0.00 O ATOM 0 H SER A 14 7.722 11.019 -8.983 1.00 0.00 H new ATOM 0 HA SER A 14 9.852 11.375 -7.215 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.823 12.911 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.015 12.207 -6.567 1.00 0.00 H new ATOM 0 HG SER A 14 8.154 14.153 -6.025 1.00 0.00 H new ATOM 217 N ILE A 15 7.310 9.705 -5.896 1.00 0.00 N ATOM 218 CA ILE A 15 6.953 8.799 -4.813 1.00 0.00 C ATOM 219 C ILE A 15 7.726 7.490 -4.914 1.00 0.00 C ATOM 220 O ILE A 15 7.928 6.796 -3.918 1.00 0.00 O ATOM 221 CB ILE A 15 5.442 8.491 -4.796 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.628 9.782 -4.926 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.066 7.744 -3.525 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.889 10.779 -3.818 1.00 0.00 C ATOM 0 H ILE A 15 6.549 9.912 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 15 7.217 9.306 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 15 5.210 7.854 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.855 10.249 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.567 9.533 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.996 7.534 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.619 6.806 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.313 8.356 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.278 11.668 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.635 10.330 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.943 11.058 -3.821 1.00 0.00 H new ATOM 236 N ARG A 16 8.148 7.154 -6.126 1.00 0.00 N ATOM 237 CA ARG A 16 8.893 5.923 -6.360 1.00 0.00 C ATOM 238 C ARG A 16 10.335 6.050 -5.881 1.00 0.00 C ATOM 239 O ARG A 16 10.815 5.218 -5.112 1.00 0.00 O ATOM 240 CB ARG A 16 8.864 5.558 -7.845 1.00 0.00 C ATOM 241 CG ARG A 16 9.673 4.314 -8.186 1.00 0.00 C ATOM 242 CD ARG A 16 9.887 4.175 -9.685 1.00 0.00 C ATOM 243 NE ARG A 16 11.308 4.182 -10.034 1.00 0.00 N ATOM 244 CZ ARG A 16 11.776 4.481 -11.243 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.939 4.790 -12.225 1.00 0.00 N ATOM 246 NH2 ARG A 16 13.085 4.468 -11.470 1.00 0.00 N ATOM 0 H ARG A 16 7.987 7.716 -6.962 1.00 0.00 H new ATOM 0 HA ARG A 16 8.414 5.129 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.830 5.403 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.246 6.399 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.639 4.359 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.158 3.430 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.432 3.248 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.382 4.991 -10.202 1.00 0.00 H new ATOM 0 HE ARG A 16 11.981 3.943 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.933 4.799 -12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.301 5.019 -13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.731 4.229 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.444 4.697 -12.397 1.00 0.00 H new ATOM 260 N TRP A 17 11.025 7.087 -6.346 1.00 0.00 N ATOM 261 CA TRP A 17 12.417 7.309 -5.967 1.00 0.00 C ATOM 262 C TRP A 17 12.574 7.419 -4.453 1.00 0.00 C ATOM 263 O TRP A 17 13.543 6.914 -3.879 1.00 0.00 O ATOM 264 CB TRP A 17 12.964 8.573 -6.632 1.00 0.00 C ATOM 265 CG TRP A 17 14.413 8.794 -6.336 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.475 8.218 -6.972 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.962 9.634 -5.317 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.651 8.653 -6.413 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.362 9.525 -5.396 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.404 10.473 -4.348 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.212 10.221 -4.540 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.249 11.164 -3.500 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.638 11.034 -3.600 1.00 0.00 C ATOM 0 H TRP A 17 10.644 7.786 -6.984 1.00 0.00 H new ATOM 0 HA TRP A 17 12.987 6.446 -6.311 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.823 8.502 -7.711 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.391 9.436 -6.292 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.401 7.522 -7.794 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.587 8.373 -6.707 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.333 10.579 -4.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.285 10.123 -4.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.830 11.815 -2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.271 11.587 -2.921 1.00 0.00 H new ATOM 284 N VAL A 18 11.633 8.102 -3.813 1.00 0.00 N ATOM 285 CA VAL A 18 11.684 8.299 -2.372 1.00 0.00 C ATOM 286 C VAL A 18 11.512 6.996 -1.609 1.00 0.00 C ATOM 287 O VAL A 18 12.257 6.708 -0.672 1.00 0.00 O ATOM 288 CB VAL A 18 10.600 9.288 -1.899 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.810 9.653 -0.438 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.582 10.535 -2.770 1.00 0.00 C ATOM 0 H VAL A 18 10.827 8.528 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 18 12.673 8.707 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 18 9.631 8.799 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.035 10.352 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.757 8.752 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.789 10.117 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.808 11.216 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.552 11.029 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.372 10.255 -3.802 1.00 0.00 H new ATOM 300 N LEU A 19 10.508 6.235 -1.995 1.00 0.00 N ATOM 301 CA LEU A 19 10.204 4.977 -1.329 1.00 0.00 C ATOM 302 C LEU A 19 11.096 3.832 -1.786 1.00 0.00 C ATOM 303 O LEU A 19 11.342 2.900 -1.027 1.00 0.00 O ATOM 304 CB LEU A 19 8.734 4.606 -1.532 1.00 0.00 C ATOM 305 CG LEU A 19 7.968 4.276 -0.246 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.114 5.401 0.769 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.501 4.020 -0.552 1.00 0.00 C ATOM 0 H LEU A 19 9.884 6.464 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 19 10.402 5.133 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.232 5.433 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.680 3.747 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 19 8.394 3.370 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.563 5.148 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.168 5.538 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.716 6.324 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.972 3.787 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.064 4.909 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.414 3.180 -1.241 1.00 0.00 H new ATOM 319 N GLU A 20 11.565 3.882 -3.022 1.00 0.00 N ATOM 320 CA GLU A 20 12.407 2.813 -3.535 1.00 0.00 C ATOM 321 C GLU A 20 13.712 2.686 -2.752 1.00 0.00 C ATOM 322 O GLU A 20 13.990 1.640 -2.168 1.00 0.00 O ATOM 323 CB GLU A 20 12.677 2.992 -5.027 1.00 0.00 C ATOM 324 CG GLU A 20 13.338 4.303 -5.405 1.00 0.00 C ATOM 325 CD GLU A 20 14.824 4.161 -5.673 1.00 0.00 C ATOM 326 OE1 GLU A 20 15.359 3.047 -5.491 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.454 5.166 -6.064 1.00 0.00 O ATOM 0 H GLU A 20 11.381 4.639 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 20 11.859 1.881 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.309 2.172 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.732 2.910 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.851 4.706 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.186 5.025 -4.602 1.00 0.00 H new ATOM 334 N ARG A 21 14.515 3.742 -2.740 1.00 0.00 N ATOM 335 CA ARG A 21 15.788 3.715 -2.020 1.00 0.00 C ATOM 336 C ARG A 21 15.589 3.427 -0.531 1.00 0.00 C ATOM 337 O ARG A 21 16.291 2.598 0.048 1.00 0.00 O ATOM 338 CB ARG A 21 16.529 5.042 -2.191 1.00 0.00 C ATOM 339 CG ARG A 21 17.084 5.253 -3.588 1.00 0.00 C ATOM 340 CD ARG A 21 18.602 5.174 -3.611 1.00 0.00 C ATOM 341 NE ARG A 21 19.221 6.231 -2.809 1.00 0.00 N ATOM 342 CZ ARG A 21 20.532 6.472 -2.778 1.00 0.00 C ATOM 343 NH1 ARG A 21 21.366 5.732 -3.499 1.00 0.00 N ATOM 344 NH2 ARG A 21 21.014 7.452 -2.023 1.00 0.00 N ATOM 0 H ARG A 21 14.313 4.622 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 21 16.384 2.909 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.851 5.861 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.348 5.086 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.671 4.501 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.765 6.226 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.920 4.201 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.953 5.248 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 21 18.612 6.819 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 21 21.005 4.975 -4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 21 22.368 5.920 -3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.381 8.024 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 21 22.018 7.633 -2.002 1.00 0.00 H new ATOM 358 N ALA A 22 14.647 4.130 0.093 1.00 0.00 N ATOM 359 CA ALA A 22 14.386 3.959 1.521 1.00 0.00 C ATOM 360 C ALA A 22 13.907 2.557 1.859 1.00 0.00 C ATOM 361 O ALA A 22 14.226 2.025 2.924 1.00 0.00 O ATOM 362 CB ALA A 22 13.386 5.000 2.004 1.00 0.00 C ATOM 0 H ALA A 22 14.053 4.821 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 22 15.332 4.104 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.201 4.860 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.789 5.998 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.451 4.888 1.456 1.00 0.00 H new ATOM 368 N LEU A 23 13.151 1.955 0.960 1.00 0.00 N ATOM 369 CA LEU A 23 12.655 0.607 1.195 1.00 0.00 C ATOM 370 C LEU A 23 13.717 -0.422 0.848 1.00 0.00 C ATOM 371 O LEU A 23 13.754 -1.516 1.418 1.00 0.00 O ATOM 372 CB LEU A 23 11.366 0.340 0.424 1.00 0.00 C ATOM 373 CG LEU A 23 10.244 -0.244 1.278 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.927 -0.221 0.525 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.591 -1.661 1.713 1.00 0.00 C ATOM 0 H LEU A 23 12.869 2.369 0.071 1.00 0.00 H new ATOM 0 HA LEU A 23 12.424 0.520 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.021 1.273 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.580 -0.346 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 23 10.134 0.373 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.142 -0.642 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.673 0.807 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.019 -0.812 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.781 -2.064 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.730 -2.288 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.511 -1.647 2.297 1.00 0.00 H new ATOM 387 N ALA A 24 14.607 -0.054 -0.063 1.00 0.00 N ATOM 388 CA ALA A 24 15.692 -0.938 -0.435 1.00 0.00 C ATOM 389 C ALA A 24 16.646 -1.037 0.740 1.00 0.00 C ATOM 390 O ALA A 24 17.214 -2.097 1.009 1.00 0.00 O ATOM 391 CB ALA A 24 16.405 -0.434 -1.681 1.00 0.00 C ATOM 0 H ALA A 24 14.597 0.842 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 24 15.299 -1.926 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.215 -1.117 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.698 -0.382 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.814 0.558 -1.490 1.00 0.00 H new ATOM 397 N GLY A 25 16.779 0.072 1.470 1.00 0.00 N ATOM 398 CA GLY A 25 17.620 0.080 2.642 1.00 0.00 C ATOM 399 C GLY A 25 17.065 -0.854 3.695 1.00 0.00 C ATOM 400 O GLY A 25 17.797 -1.360 4.543 1.00 0.00 O ATOM 0 H GLY A 25 16.318 0.958 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.632 -0.224 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.687 1.091 3.043 1.00 0.00 H new ATOM 404 N ALA A 26 15.752 -1.099 3.616 1.00 0.00 N ATOM 405 CA ALA A 26 15.087 -1.993 4.545 1.00 0.00 C ATOM 406 C ALA A 26 15.378 -3.448 4.180 1.00 0.00 C ATOM 407 O ALA A 26 15.181 -4.352 4.993 1.00 0.00 O ATOM 408 CB ALA A 26 13.582 -1.728 4.562 1.00 0.00 C ATOM 0 H ALA A 26 15.137 -0.686 2.915 1.00 0.00 H new ATOM 0 HA ALA A 26 15.475 -1.806 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.101 -2.408 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.397 -0.699 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.173 -1.888 3.564 1.00 0.00 H new ATOM 414 N GLY A 27 15.882 -3.663 2.960 1.00 0.00 N ATOM 415 CA GLY A 27 16.231 -5.004 2.525 1.00 0.00 C ATOM 416 C GLY A 27 15.132 -5.717 1.752 1.00 0.00 C ATOM 417 O GLY A 27 15.077 -6.947 1.764 1.00 0.00 O ATOM 0 H GLY A 27 16.053 -2.931 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.122 -4.950 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.490 -5.601 3.399 1.00 0.00 H new ATOM 421 N LEU A 28 14.246 -4.974 1.084 1.00 0.00 N ATOM 422 CA LEU A 28 13.169 -5.611 0.335 1.00 0.00 C ATOM 423 C LEU A 28 12.996 -5.027 -1.062 1.00 0.00 C ATOM 424 O LEU A 28 13.536 -3.968 -1.381 1.00 0.00 O ATOM 425 CB LEU A 28 11.855 -5.526 1.110 1.00 0.00 C ATOM 426 CG LEU A 28 12.021 -5.368 2.618 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.052 -3.909 3.006 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.932 -6.119 3.358 1.00 0.00 C ATOM 0 H LEU A 28 14.254 -3.955 1.048 1.00 0.00 H new ATOM 0 HA LEU A 28 13.450 -6.657 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.277 -4.683 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.273 -6.426 0.913 1.00 0.00 H new ATOM 0 HG LEU A 28 12.978 -5.803 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.171 -3.822 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.888 -3.418 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.119 -3.432 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.069 -5.993 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.958 -5.726 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.986 -7.178 3.107 1.00 0.00 H new ATOM 440 N THR A 29 12.228 -5.738 -1.888 1.00 0.00 N ATOM 441 CA THR A 29 11.964 -5.308 -3.258 1.00 0.00 C ATOM 442 C THR A 29 10.786 -4.348 -3.285 1.00 0.00 C ATOM 443 O THR A 29 9.673 -4.703 -2.897 1.00 0.00 O ATOM 444 CB THR A 29 11.683 -6.512 -4.161 1.00 0.00 C ATOM 445 OG1 THR A 29 12.825 -7.347 -4.252 1.00 0.00 O ATOM 446 CG2 THR A 29 11.282 -6.126 -5.570 1.00 0.00 C ATOM 0 H THR A 29 11.778 -6.616 -1.630 1.00 0.00 H new ATOM 0 HA THR A 29 12.850 -4.796 -3.635 1.00 0.00 H new ATOM 0 HB THR A 29 10.847 -7.034 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.626 -8.112 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.098 -7.027 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.375 -5.522 -5.538 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.084 -5.551 -6.032 1.00 0.00 H new ATOM 454 N CYS A 30 11.044 -3.125 -3.726 1.00 0.00 N ATOM 455 CA CYS A 30 10.012 -2.100 -3.780 1.00 0.00 C ATOM 456 C CYS A 30 9.729 -1.643 -5.204 1.00 0.00 C ATOM 457 O CYS A 30 10.590 -1.069 -5.870 1.00 0.00 O ATOM 458 CB CYS A 30 10.422 -0.908 -2.915 1.00 0.00 C ATOM 459 SG CYS A 30 12.177 -0.480 -3.023 1.00 0.00 S ATOM 0 H CYS A 30 11.961 -2.818 -4.052 1.00 0.00 H new ATOM 0 HA CYS A 30 9.092 -2.537 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.830 -0.041 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.176 -1.126 -1.876 1.00 0.00 H new ATOM 0 HG CYS A 30 12.435 0.503 -2.213 1.00 0.00 H new ATOM 465 N THR A 31 8.497 -1.879 -5.648 1.00 0.00 N ATOM 466 CA THR A 31 8.070 -1.469 -6.976 1.00 0.00 C ATOM 467 C THR A 31 6.816 -0.610 -6.842 1.00 0.00 C ATOM 468 O THR A 31 5.894 -0.957 -6.103 1.00 0.00 O ATOM 469 CB THR A 31 7.806 -2.687 -7.876 1.00 0.00 C ATOM 470 OG1 THR A 31 7.869 -2.320 -9.242 1.00 0.00 O ATOM 471 CG2 THR A 31 6.455 -3.328 -7.655 1.00 0.00 C ATOM 0 H THR A 31 7.777 -2.354 -5.103 1.00 0.00 H new ATOM 0 HA THR A 31 8.864 -0.889 -7.447 1.00 0.00 H new ATOM 0 HB THR A 31 8.581 -3.405 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.700 -3.107 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.342 -4.180 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.378 -3.667 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.669 -2.600 -7.858 1.00 0.00 H new ATOM 479 N THR A 32 6.790 0.518 -7.534 1.00 0.00 N ATOM 480 CA THR A 32 5.651 1.419 -7.456 1.00 0.00 C ATOM 481 C THR A 32 4.823 1.388 -8.730 1.00 0.00 C ATOM 482 O THR A 32 5.255 0.866 -9.758 1.00 0.00 O ATOM 483 CB THR A 32 6.106 2.841 -7.135 1.00 0.00 C ATOM 484 OG1 THR A 32 7.012 3.327 -8.113 1.00 0.00 O ATOM 485 CG2 THR A 32 6.775 2.944 -5.781 1.00 0.00 C ATOM 0 H THR A 32 7.539 0.830 -8.152 1.00 0.00 H new ATOM 0 HA THR A 32 5.012 1.072 -6.644 1.00 0.00 H new ATOM 0 HB THR A 32 5.199 3.445 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.513 3.620 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.079 3.976 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.076 2.633 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.653 2.298 -5.759 1.00 0.00 H new ATOM 493 N PHE A 33 3.611 1.915 -8.631 1.00 0.00 N ATOM 494 CA PHE A 33 2.680 1.919 -9.747 1.00 0.00 C ATOM 495 C PHE A 33 1.995 3.281 -9.915 1.00 0.00 C ATOM 496 O PHE A 33 2.223 4.203 -9.133 1.00 0.00 O ATOM 497 CB PHE A 33 1.663 0.801 -9.579 1.00 0.00 C ATOM 498 CG PHE A 33 2.282 -0.565 -9.411 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.065 -0.860 -8.306 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.076 -1.557 -10.356 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.630 -2.109 -8.150 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.637 -2.808 -10.206 1.00 0.00 C ATOM 503 CZ PHE A 33 3.413 -3.087 -9.106 1.00 0.00 C ATOM 0 H PHE A 33 3.249 2.348 -7.782 1.00 0.00 H new ATOM 0 HA PHE A 33 3.245 1.740 -10.662 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.040 1.017 -8.711 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.005 0.787 -10.448 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.235 -0.101 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.467 -1.348 -11.223 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.240 -2.323 -7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.467 -3.569 -10.953 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.852 -4.067 -8.988 1.00 0.00 H new ATOM 513 N GLU A 34 1.210 3.413 -10.988 1.00 0.00 N ATOM 514 CA GLU A 34 0.543 4.676 -11.327 1.00 0.00 C ATOM 515 C GLU A 34 -0.476 5.157 -10.288 1.00 0.00 C ATOM 516 O GLU A 34 -0.621 6.364 -10.097 1.00 0.00 O ATOM 517 CB GLU A 34 -0.156 4.540 -12.683 1.00 0.00 C ATOM 518 CG GLU A 34 -1.189 3.427 -12.730 1.00 0.00 C ATOM 519 CD GLU A 34 -2.527 3.836 -12.148 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.994 4.952 -12.458 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.109 3.037 -11.381 1.00 0.00 O ATOM 0 H GLU A 34 1.019 2.654 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 34 1.332 5.428 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.642 5.485 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.595 4.359 -13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.330 3.113 -13.764 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.810 2.564 -12.183 1.00 0.00 H new ATOM 528 N ASN A 35 -1.195 4.255 -9.626 1.00 0.00 N ATOM 529 CA ASN A 35 -2.186 4.693 -8.640 1.00 0.00 C ATOM 530 C ASN A 35 -2.756 3.545 -7.830 1.00 0.00 C ATOM 531 O ASN A 35 -2.709 3.552 -6.599 1.00 0.00 O ATOM 532 CB ASN A 35 -3.319 5.445 -9.341 1.00 0.00 C ATOM 533 CG ASN A 35 -3.675 6.740 -8.640 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.496 7.826 -9.192 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.179 6.634 -7.417 1.00 0.00 N ATOM 0 H ASN A 35 -1.117 3.245 -9.746 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.671 5.353 -7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.027 5.660 -10.369 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.201 4.806 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.435 7.473 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.311 5.714 -6.998 1.00 0.00 H new ATOM 542 N GLY A 36 -3.300 2.568 -8.523 1.00 0.00 N ATOM 543 CA GLY A 36 -3.885 1.424 -7.852 1.00 0.00 C ATOM 544 C GLY A 36 -4.247 0.312 -8.810 1.00 0.00 C ATOM 545 O GLY A 36 -3.982 -0.854 -8.534 1.00 0.00 O ATOM 0 H GLY A 36 -3.350 2.541 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.183 1.045 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.779 1.741 -7.314 1.00 0.00 H new ATOM 549 N ASN A 37 -4.850 0.672 -9.943 1.00 0.00 N ATOM 550 CA ASN A 37 -5.241 -0.315 -10.942 1.00 0.00 C ATOM 551 C ASN A 37 -4.021 -1.028 -11.499 1.00 0.00 C ATOM 552 O ASN A 37 -4.107 -2.167 -11.957 1.00 0.00 O ATOM 553 CB ASN A 37 -6.029 0.344 -12.076 1.00 0.00 C ATOM 554 CG ASN A 37 -7.137 -0.552 -12.598 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.064 -0.930 -11.720 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.159 -0.906 -13.778 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.076 1.636 -10.189 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.882 -1.050 -10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.458 1.281 -11.722 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.350 0.593 -12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.429 -0.593 -14.418 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.907 -1.512 -14.115 1.00 0.00 H new ATOM 563 N GLU A 38 -2.882 -0.357 -11.453 1.00 0.00 N ATOM 564 CA GLU A 38 -1.648 -0.934 -11.951 1.00 0.00 C ATOM 565 C GLU A 38 -1.269 -2.189 -11.170 1.00 0.00 C ATOM 566 O GLU A 38 -1.109 -3.260 -11.758 1.00 0.00 O ATOM 567 CB GLU A 38 -0.523 0.084 -11.869 1.00 0.00 C ATOM 568 CG GLU A 38 0.198 0.323 -13.183 1.00 0.00 C ATOM 569 CD GLU A 38 1.097 -0.834 -13.575 1.00 0.00 C ATOM 570 OE1 GLU A 38 0.697 -1.996 -13.361 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.207 -0.577 -14.087 1.00 0.00 O ATOM 0 H GLU A 38 -2.788 0.586 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.806 -1.215 -12.992 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.930 1.031 -11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.201 -0.251 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.537 0.490 -13.971 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.795 1.232 -13.105 1.00 0.00 H new ATOM 578 N VAL A 39 -1.111 -2.070 -9.846 1.00 0.00 N ATOM 579 CA VAL A 39 -0.738 -3.233 -9.045 1.00 0.00 C ATOM 580 C VAL A 39 -1.723 -4.385 -9.249 1.00 0.00 C ATOM 581 O VAL A 39 -1.343 -5.554 -9.188 1.00 0.00 O ATOM 582 CB VAL A 39 -0.653 -2.910 -7.542 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.065 -4.091 -6.791 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.180 -1.665 -7.302 1.00 0.00 C ATOM 0 H VAL A 39 -1.232 -1.204 -9.322 1.00 0.00 H new ATOM 0 HA VAL A 39 0.252 -3.530 -9.390 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.660 -2.719 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.008 -3.855 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.699 -4.966 -6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.935 -4.302 -7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.225 -1.458 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.189 -1.823 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.274 -0.818 -7.817 1.00 0.00 H new ATOM 594 N LEU A 40 -2.988 -4.050 -9.493 1.00 0.00 N ATOM 595 CA LEU A 40 -4.019 -5.066 -9.707 1.00 0.00 C ATOM 596 C LEU A 40 -3.659 -5.956 -10.890 1.00 0.00 C ATOM 597 O LEU A 40 -3.752 -7.181 -10.808 1.00 0.00 O ATOM 598 CB LEU A 40 -5.381 -4.416 -9.950 1.00 0.00 C ATOM 599 CG LEU A 40 -5.683 -3.201 -9.080 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.023 -2.603 -9.461 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.662 -3.580 -7.606 1.00 0.00 C ATOM 0 H LEU A 40 -3.324 -3.088 -9.548 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.076 -5.677 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.442 -4.118 -10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.157 -5.163 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.910 -2.451 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.227 -1.736 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.000 -2.296 -10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.807 -3.347 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.880 -2.700 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.414 -4.346 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.677 -3.966 -7.344 1.00 0.00 H new ATOM 613 N ALA A 41 -3.248 -5.330 -11.989 1.00 0.00 N ATOM 614 CA ALA A 41 -2.869 -6.061 -13.192 1.00 0.00 C ATOM 615 C ALA A 41 -1.588 -6.849 -12.964 1.00 0.00 C ATOM 616 O ALA A 41 -1.509 -8.039 -13.269 1.00 0.00 O ATOM 617 CB ALA A 41 -2.706 -5.107 -14.363 1.00 0.00 C ATOM 0 H ALA A 41 -3.169 -4.316 -12.070 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.665 -6.767 -13.428 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.423 -5.669 -15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.648 -4.590 -14.545 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.930 -4.377 -14.132 1.00 0.00 H new ATOM 623 N ALA A 42 -0.593 -6.171 -12.419 1.00 0.00 N ATOM 624 CA ALA A 42 0.695 -6.792 -12.131 1.00 0.00 C ATOM 625 C ALA A 42 0.537 -7.912 -11.112 1.00 0.00 C ATOM 626 O ALA A 42 1.250 -8.914 -11.156 1.00 0.00 O ATOM 627 CB ALA A 42 1.684 -5.750 -11.623 1.00 0.00 C ATOM 0 H ALA A 42 -0.650 -5.185 -12.165 1.00 0.00 H new ATOM 0 HA ALA A 42 1.083 -7.221 -13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.640 -6.228 -11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.823 -4.980 -12.382 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.297 -5.295 -10.711 1.00 0.00 H new ATOM 633 N LEU A 43 -0.403 -7.729 -10.192 1.00 0.00 N ATOM 634 CA LEU A 43 -0.659 -8.717 -9.153 1.00 0.00 C ATOM 635 C LEU A 43 -1.140 -10.035 -9.742 1.00 0.00 C ATOM 636 O LEU A 43 -0.935 -11.098 -9.160 1.00 0.00 O ATOM 637 CB LEU A 43 -1.693 -8.184 -8.162 1.00 0.00 C ATOM 638 CG LEU A 43 -1.123 -7.351 -7.024 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.235 -6.622 -6.280 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.349 -8.245 -6.080 1.00 0.00 C ATOM 0 H LEU A 43 -1.001 -6.904 -10.145 1.00 0.00 H new ATOM 0 HA LEU A 43 0.281 -8.902 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.418 -7.580 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.236 -9.028 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.449 -6.601 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.805 -6.032 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.762 -5.962 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.934 -7.349 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.059 -7.647 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.014 -9.007 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.466 -8.726 -6.621 1.00 0.00 H new ATOM 652 N ALA A 44 -1.779 -9.959 -10.898 1.00 0.00 N ATOM 653 CA ALA A 44 -2.286 -11.151 -11.564 1.00 0.00 C ATOM 654 C ALA A 44 -1.158 -12.128 -11.887 1.00 0.00 C ATOM 655 O ALA A 44 -1.401 -13.309 -12.137 1.00 0.00 O ATOM 656 CB ALA A 44 -3.036 -10.771 -12.831 1.00 0.00 C ATOM 0 H ALA A 44 -1.959 -9.087 -11.395 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.975 -11.648 -10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.409 -11.672 -13.317 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.875 -10.123 -12.577 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.363 -10.245 -13.508 1.00 0.00 H new ATOM 662 N SER A 45 0.076 -11.630 -11.885 1.00 0.00 N ATOM 663 CA SER A 45 1.234 -12.457 -12.182 1.00 0.00 C ATOM 664 C SER A 45 2.163 -12.595 -10.975 1.00 0.00 C ATOM 665 O SER A 45 3.147 -13.333 -11.028 1.00 0.00 O ATOM 666 CB SER A 45 2.006 -11.883 -13.373 1.00 0.00 C ATOM 667 OG SER A 45 1.579 -12.470 -14.591 1.00 0.00 O ATOM 0 H SER A 45 0.296 -10.655 -11.680 1.00 0.00 H new ATOM 0 HA SER A 45 0.867 -13.452 -12.433 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.863 -10.803 -13.417 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.073 -12.058 -13.236 1.00 0.00 H new ATOM 0 HG SER A 45 2.087 -12.085 -15.335 1.00 0.00 H new ATOM 673 N LYS A 46 1.855 -11.887 -9.888 1.00 0.00 N ATOM 674 CA LYS A 46 2.678 -11.952 -8.687 1.00 0.00 C ATOM 675 C LYS A 46 1.950 -11.353 -7.491 1.00 0.00 C ATOM 676 O LYS A 46 0.986 -10.608 -7.648 1.00 0.00 O ATOM 677 CB LYS A 46 4.000 -11.215 -8.903 1.00 0.00 C ATOM 678 CG LYS A 46 5.185 -11.885 -8.229 1.00 0.00 C ATOM 679 CD LYS A 46 6.107 -10.867 -7.574 1.00 0.00 C ATOM 680 CE LYS A 46 7.570 -11.202 -7.816 1.00 0.00 C ATOM 681 NZ LYS A 46 8.424 -9.984 -7.833 1.00 0.00 N ATOM 0 H LYS A 46 1.048 -11.268 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 46 2.881 -13.003 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.195 -11.141 -9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.905 -10.197 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.827 -12.589 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.744 -12.462 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.891 -9.873 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.913 -10.836 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.920 -11.880 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.669 -11.728 -8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.414 -10.256 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.106 -9.348 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.350 -9.495 -6.918 1.00 0.00 H new ATOM 695 N THR A 47 2.421 -11.678 -6.293 1.00 0.00 N ATOM 696 CA THR A 47 1.818 -11.162 -5.079 1.00 0.00 C ATOM 697 C THR A 47 2.880 -10.767 -4.055 1.00 0.00 C ATOM 698 O THR A 47 3.558 -11.627 -3.492 1.00 0.00 O ATOM 699 CB THR A 47 0.873 -12.206 -4.470 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.216 -12.464 -5.335 1.00 0.00 O ATOM 701 CG2 THR A 47 0.301 -11.800 -3.127 1.00 0.00 C ATOM 0 H THR A 47 3.218 -12.296 -6.141 1.00 0.00 H new ATOM 0 HA THR A 47 1.250 -10.270 -5.343 1.00 0.00 H new ATOM 0 HB THR A 47 1.489 -13.094 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.034 -12.080 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.357 -12.587 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.114 -11.645 -2.417 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.265 -10.875 -3.237 1.00 0.00 H new ATOM 709 N PRO A 48 3.025 -9.460 -3.775 1.00 0.00 N ATOM 710 CA PRO A 48 3.992 -8.978 -2.792 1.00 0.00 C ATOM 711 C PRO A 48 3.536 -9.284 -1.369 1.00 0.00 C ATOM 712 O PRO A 48 2.371 -9.604 -1.139 1.00 0.00 O ATOM 713 CB PRO A 48 4.020 -7.469 -3.035 1.00 0.00 C ATOM 714 CG PRO A 48 2.671 -7.154 -3.575 1.00 0.00 C ATOM 715 CD PRO A 48 2.256 -8.355 -4.377 1.00 0.00 C ATOM 0 HA PRO A 48 4.968 -9.451 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.216 -6.922 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.804 -7.195 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.964 -6.960 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.699 -6.260 -4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.182 -8.531 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.492 -8.232 -5.434 1.00 0.00 H new ATOM 723 N ASP A 49 4.458 -9.189 -0.420 1.00 0.00 N ATOM 724 CA ASP A 49 4.142 -9.458 0.978 1.00 0.00 C ATOM 725 C ASP A 49 3.408 -8.277 1.615 1.00 0.00 C ATOM 726 O ASP A 49 2.716 -8.436 2.619 1.00 0.00 O ATOM 727 CB ASP A 49 5.420 -9.757 1.762 1.00 0.00 C ATOM 728 CG ASP A 49 6.181 -10.937 1.193 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.569 -12.017 1.037 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.386 -10.786 0.907 1.00 0.00 O ATOM 0 H ASP A 49 5.429 -8.928 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 49 3.487 -10.329 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.062 -8.876 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.166 -9.959 2.803 1.00 0.00 H new ATOM 735 N VAL A 50 3.568 -7.094 1.028 1.00 0.00 N ATOM 736 CA VAL A 50 2.929 -5.889 1.544 1.00 0.00 C ATOM 737 C VAL A 50 2.530 -4.971 0.386 1.00 0.00 C ATOM 738 O VAL A 50 2.983 -5.165 -0.742 1.00 0.00 O ATOM 739 CB VAL A 50 3.889 -5.158 2.509 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.150 -4.755 1.775 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.233 -3.952 3.170 1.00 0.00 C ATOM 0 H VAL A 50 4.136 -6.945 0.194 1.00 0.00 H new ATOM 0 HA VAL A 50 2.028 -6.167 2.092 1.00 0.00 H new ATOM 0 HB VAL A 50 4.148 -5.851 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.822 -4.240 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.643 -5.645 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.894 -4.089 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.946 -3.471 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.919 -3.243 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.363 -4.278 3.741 1.00 0.00 H new ATOM 751 N LEU A 51 1.662 -3.991 0.648 1.00 0.00 N ATOM 752 CA LEU A 51 1.208 -3.086 -0.405 1.00 0.00 C ATOM 753 C LEU A 51 0.804 -1.719 0.149 1.00 0.00 C ATOM 754 O LEU A 51 -0.204 -1.586 0.843 1.00 0.00 O ATOM 755 CB LEU A 51 0.030 -3.715 -1.152 1.00 0.00 C ATOM 756 CG LEU A 51 -0.171 -3.232 -2.589 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.117 -3.368 -3.392 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.304 -4.006 -3.253 1.00 0.00 C ATOM 0 H LEU A 51 1.265 -3.807 1.569 1.00 0.00 H new ATOM 0 HA LEU A 51 2.041 -2.929 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.167 -4.796 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.882 -3.517 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.441 -2.176 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.949 -3.018 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.900 -2.769 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.424 -4.414 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.436 -3.652 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.060 -5.068 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.227 -3.852 -2.694 1.00 0.00 H new ATOM 770 N LEU A 52 1.601 -0.708 -0.186 1.00 0.00 N ATOM 771 CA LEU A 52 1.343 0.662 0.249 1.00 0.00 C ATOM 772 C LEU A 52 0.633 1.429 -0.859 1.00 0.00 C ATOM 773 O LEU A 52 1.159 1.553 -1.966 1.00 0.00 O ATOM 774 CB LEU A 52 2.660 1.365 0.610 1.00 0.00 C ATOM 775 CG LEU A 52 2.552 2.439 1.694 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.910 3.071 1.955 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.539 3.499 1.293 1.00 0.00 C ATOM 0 H LEU A 52 2.437 -0.813 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 52 0.707 0.636 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.377 0.612 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.068 1.822 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 52 2.210 1.966 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.814 3.833 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.611 2.304 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.280 3.530 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.475 4.255 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.853 3.968 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.562 3.035 1.155 1.00 0.00 H new ATOM 789 N SER A 53 -0.568 1.925 -0.578 1.00 0.00 N ATOM 790 CA SER A 53 -1.335 2.651 -1.585 1.00 0.00 C ATOM 791 C SER A 53 -1.763 4.041 -1.110 1.00 0.00 C ATOM 792 O SER A 53 -2.189 4.227 0.030 1.00 0.00 O ATOM 793 CB SER A 53 -2.565 1.836 -1.984 1.00 0.00 C ATOM 794 OG SER A 53 -2.557 1.550 -3.370 1.00 0.00 O ATOM 0 H SER A 53 -1.028 1.839 0.329 1.00 0.00 H new ATOM 0 HA SER A 53 -0.683 2.793 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.588 0.905 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.470 2.388 -1.728 1.00 0.00 H new ATOM 0 HG SER A 53 -2.400 2.376 -3.874 1.00 0.00 H new ATOM 800 N ASP A 54 -1.648 5.016 -2.005 1.00 0.00 N ATOM 801 CA ASP A 54 -2.030 6.389 -1.703 1.00 0.00 C ATOM 802 C ASP A 54 -3.530 6.597 -1.888 1.00 0.00 C ATOM 803 O ASP A 54 -4.246 5.691 -2.316 1.00 0.00 O ATOM 804 CB ASP A 54 -1.260 7.362 -2.598 1.00 0.00 C ATOM 805 CG ASP A 54 -0.945 8.670 -1.899 1.00 0.00 C ATOM 806 OD1 ASP A 54 0.064 8.722 -1.166 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.706 9.643 -2.089 1.00 0.00 O ATOM 0 H ASP A 54 -1.291 4.879 -2.951 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.781 6.583 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.330 6.894 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.844 7.565 -3.495 1.00 0.00 H new ATOM 812 N ILE A 55 -3.995 7.804 -1.586 1.00 0.00 N ATOM 813 CA ILE A 55 -5.400 8.144 -1.737 1.00 0.00 C ATOM 814 C ILE A 55 -5.576 9.649 -1.936 1.00 0.00 C ATOM 815 O ILE A 55 -5.436 10.436 -1.001 1.00 0.00 O ATOM 816 CB ILE A 55 -6.237 7.666 -0.533 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.721 7.993 -0.749 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.719 8.261 0.764 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.168 9.330 -0.196 1.00 0.00 C ATOM 0 H ILE A 55 -3.414 8.565 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.763 7.625 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.139 6.583 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.931 7.970 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.321 7.208 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.328 7.907 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.684 7.956 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.773 9.348 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.230 9.470 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.996 9.354 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.600 10.129 -0.672 1.00 0.00 H new ATOM 831 N ARG A 56 -5.869 10.041 -3.172 1.00 0.00 N ATOM 832 CA ARG A 56 -6.054 11.449 -3.508 1.00 0.00 C ATOM 833 C ARG A 56 -7.307 11.653 -4.355 1.00 0.00 C ATOM 834 O ARG A 56 -7.339 12.500 -5.247 1.00 0.00 O ATOM 835 CB ARG A 56 -4.824 11.984 -4.244 1.00 0.00 C ATOM 836 CG ARG A 56 -4.395 11.119 -5.417 1.00 0.00 C ATOM 837 CD ARG A 56 -4.113 11.955 -6.655 1.00 0.00 C ATOM 838 NE ARG A 56 -2.923 12.791 -6.495 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.955 14.101 -6.237 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.114 14.732 -6.083 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.822 14.781 -6.125 1.00 0.00 N ATOM 0 H ARG A 56 -5.984 9.402 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.180 12.004 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.035 12.991 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.996 12.064 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.502 10.555 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.176 10.392 -5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.980 11.297 -7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.974 12.588 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.010 12.345 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.990 14.216 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.128 15.733 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.928 14.303 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.845 15.782 -5.928 1.00 0.00 H new ATOM 855 N MET A 57 -8.343 10.878 -4.048 1.00 0.00 N ATOM 856 CA MET A 57 -9.617 10.969 -4.753 1.00 0.00 C ATOM 857 C MET A 57 -9.527 10.534 -6.223 1.00 0.00 C ATOM 858 O MET A 57 -10.134 11.160 -7.091 1.00 0.00 O ATOM 859 CB MET A 57 -10.172 12.392 -4.666 1.00 0.00 C ATOM 860 CG MET A 57 -11.632 12.443 -4.243 1.00 0.00 C ATOM 861 SD MET A 57 -12.104 14.037 -3.545 1.00 0.00 S ATOM 862 CE MET A 57 -13.626 13.597 -2.708 1.00 0.00 C ATOM 0 H MET A 57 -8.324 10.175 -3.310 1.00 0.00 H new ATOM 0 HA MET A 57 -10.294 10.274 -4.257 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.575 12.965 -3.956 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.065 12.876 -5.637 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.263 12.229 -5.106 1.00 0.00 H new ATOM 0 HG3 MET A 57 -11.820 11.660 -3.508 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.152 14.504 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.257 13.017 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.396 13.002 -1.824 1.00 0.00 H new ATOM 872 N PRO A 58 -8.795 9.448 -6.529 1.00 0.00 N ATOM 873 CA PRO A 58 -8.680 8.948 -7.906 1.00 0.00 C ATOM 874 C PRO A 58 -10.015 8.368 -8.394 1.00 0.00 C ATOM 875 O PRO A 58 -10.853 9.098 -8.923 1.00 0.00 O ATOM 876 CB PRO A 58 -7.600 7.865 -7.797 1.00 0.00 C ATOM 877 CG PRO A 58 -7.684 7.401 -6.385 1.00 0.00 C ATOM 878 CD PRO A 58 -8.045 8.613 -5.576 1.00 0.00 C ATOM 0 HA PRO A 58 -8.426 9.725 -8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.784 7.049 -8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.612 8.264 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.436 6.619 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.735 6.979 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.650 8.351 -4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.158 9.126 -5.203 1.00 0.00 H new ATOM 886 N GLY A 59 -10.227 7.067 -8.184 1.00 0.00 N ATOM 887 CA GLY A 59 -11.480 6.445 -8.579 1.00 0.00 C ATOM 888 C GLY A 59 -12.509 6.561 -7.472 1.00 0.00 C ATOM 889 O GLY A 59 -13.219 7.562 -7.376 1.00 0.00 O ATOM 0 H GLY A 59 -9.554 6.436 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.858 6.920 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.311 5.395 -8.817 1.00 0.00 H new ATOM 893 N MET A 60 -12.556 5.555 -6.607 1.00 0.00 N ATOM 894 CA MET A 60 -13.469 5.570 -5.470 1.00 0.00 C ATOM 895 C MET A 60 -12.797 6.270 -4.299 1.00 0.00 C ATOM 896 O MET A 60 -12.496 5.652 -3.271 1.00 0.00 O ATOM 897 CB MET A 60 -13.897 4.160 -5.055 1.00 0.00 C ATOM 898 CG MET A 60 -14.956 4.153 -3.963 1.00 0.00 C ATOM 899 SD MET A 60 -16.612 4.482 -4.595 1.00 0.00 S ATOM 900 CE MET A 60 -16.794 3.147 -5.773 1.00 0.00 C ATOM 0 H MET A 60 -11.974 4.720 -6.671 1.00 0.00 H new ATOM 0 HA MET A 60 -14.369 6.108 -5.768 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.281 3.632 -5.928 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.023 3.609 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.949 3.185 -3.462 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.703 4.902 -3.213 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.846 2.870 -5.850 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.432 3.471 -6.749 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.216 2.286 -5.439 1.00 0.00 H new ATOM 910 N ASP A 61 -12.535 7.560 -4.488 1.00 0.00 N ATOM 911 CA ASP A 61 -11.879 8.392 -3.480 1.00 0.00 C ATOM 912 C ASP A 61 -10.429 7.977 -3.264 1.00 0.00 C ATOM 913 O ASP A 61 -9.626 8.755 -2.749 1.00 0.00 O ATOM 914 CB ASP A 61 -12.631 8.308 -2.160 1.00 0.00 C ATOM 915 CG ASP A 61 -13.327 9.606 -1.803 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.624 10.579 -1.458 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.573 9.650 -1.871 1.00 0.00 O ATOM 0 H ASP A 61 -12.771 8.060 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.889 9.418 -3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.369 7.508 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.934 8.043 -1.365 1.00 0.00 H new ATOM 922 N GLY A 62 -10.109 6.748 -3.643 1.00 0.00 N ATOM 923 CA GLY A 62 -8.771 6.227 -3.475 1.00 0.00 C ATOM 924 C GLY A 62 -8.809 4.849 -2.872 1.00 0.00 C ATOM 925 O GLY A 62 -7.966 4.004 -3.174 1.00 0.00 O ATOM 0 H GLY A 62 -10.765 6.095 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.265 6.193 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.193 6.894 -2.835 1.00 0.00 H new ATOM 929 N LEU A 63 -9.805 4.613 -2.028 1.00 0.00 N ATOM 930 CA LEU A 63 -9.958 3.320 -1.399 1.00 0.00 C ATOM 931 C LEU A 63 -10.346 2.269 -2.435 1.00 0.00 C ATOM 932 O LEU A 63 -10.286 1.070 -2.170 1.00 0.00 O ATOM 933 CB LEU A 63 -10.998 3.363 -0.282 1.00 0.00 C ATOM 934 CG LEU A 63 -10.609 4.196 0.938 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.085 5.636 0.784 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.166 3.560 2.201 1.00 0.00 C ATOM 0 H LEU A 63 -10.513 5.300 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.999 3.050 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.929 3.757 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.200 2.343 0.044 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.522 4.218 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.797 6.211 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.629 6.077 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.170 5.651 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.884 4.161 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.253 3.509 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.762 2.554 2.311 1.00 0.00 H new ATOM 948 N ALA A 64 -10.751 2.731 -3.618 1.00 0.00 N ATOM 949 CA ALA A 64 -11.151 1.834 -4.694 1.00 0.00 C ATOM 950 C ALA A 64 -10.073 0.792 -4.986 1.00 0.00 C ATOM 951 O ALA A 64 -10.381 -0.356 -5.305 1.00 0.00 O ATOM 952 CB ALA A 64 -11.446 2.638 -5.947 1.00 0.00 C ATOM 0 H ALA A 64 -10.810 3.722 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.049 1.305 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.745 1.964 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.253 3.343 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.552 3.186 -6.247 1.00 0.00 H new ATOM 958 N LEU A 65 -8.811 1.193 -4.881 1.00 0.00 N ATOM 959 CA LEU A 65 -7.707 0.279 -5.141 1.00 0.00 C ATOM 960 C LEU A 65 -7.750 -0.924 -4.197 1.00 0.00 C ATOM 961 O LEU A 65 -7.500 -2.054 -4.617 1.00 0.00 O ATOM 962 CB LEU A 65 -6.367 1.003 -5.015 1.00 0.00 C ATOM 963 CG LEU A 65 -6.115 1.689 -3.671 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.406 0.739 -2.715 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.301 2.964 -3.869 1.00 0.00 C ATOM 0 H LEU A 65 -8.529 2.138 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.813 -0.087 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.567 0.284 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.303 1.752 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.075 1.961 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.234 1.242 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.025 -0.143 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.450 0.437 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.130 3.440 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.343 2.717 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.848 3.647 -4.519 1.00 0.00 H new ATOM 977 N LEU A 66 -8.071 -0.683 -2.927 1.00 0.00 N ATOM 978 CA LEU A 66 -8.146 -1.764 -1.945 1.00 0.00 C ATOM 979 C LEU A 66 -9.195 -2.782 -2.363 1.00 0.00 C ATOM 980 O LEU A 66 -8.981 -3.990 -2.271 1.00 0.00 O ATOM 981 CB LEU A 66 -8.490 -1.219 -0.556 1.00 0.00 C ATOM 982 CG LEU A 66 -7.485 -0.223 0.023 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.913 1.199 -0.286 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.349 -0.424 1.524 1.00 0.00 C ATOM 0 H LEU A 66 -8.282 0.243 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.169 -2.246 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.467 -0.738 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.582 -2.059 0.133 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.514 -0.399 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.188 1.896 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.967 1.336 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.893 1.388 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.630 0.292 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.317 -0.271 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.002 -1.437 1.725 1.00 0.00 H new ATOM 996 N LYS A 67 -10.334 -2.274 -2.822 1.00 0.00 N ATOM 997 CA LYS A 67 -11.436 -3.121 -3.256 1.00 0.00 C ATOM 998 C LYS A 67 -10.981 -4.118 -4.313 1.00 0.00 C ATOM 999 O LYS A 67 -11.342 -5.290 -4.274 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.576 -2.268 -3.804 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.952 -2.764 -3.386 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.762 -1.666 -2.716 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.577 -0.883 -3.730 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.582 -1.739 -4.419 1.00 0.00 N ATOM 0 H LYS A 67 -10.517 -1.274 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.790 -3.679 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.448 -1.241 -3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.518 -2.252 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.489 -3.131 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.844 -3.606 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.427 -2.105 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.092 -0.990 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.085 -0.059 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.909 -0.442 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.528 -1.320 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.347 -1.806 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.575 -2.690 -3.998 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.205 -3.643 -5.268 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.717 -4.499 -6.334 1.00 0.00 C ATOM 1020 C GLN A 68 -8.650 -5.470 -5.827 1.00 0.00 C ATOM 1021 O GLN A 68 -8.660 -6.650 -6.175 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.147 -3.661 -7.467 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.171 -2.779 -8.166 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.262 -3.577 -8.849 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.214 -4.070 -8.064 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -11.253 -3.747 -10.068 1.00 0.00 N flip ATOM 0 H GLN A 68 -9.899 -2.672 -5.328 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.563 -5.080 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.350 -3.031 -7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.693 -4.325 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.622 -2.105 -7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.665 -2.157 -8.905 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.502 -3.350 -10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.997 -4.285 -10.513 1.00 0.00 H new ATOM 1035 N ILE A 69 -7.724 -4.967 -5.008 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.653 -5.802 -4.468 1.00 0.00 C ATOM 1037 C ILE A 69 -7.219 -6.939 -3.629 1.00 0.00 C ATOM 1038 O ILE A 69 -6.681 -8.048 -3.616 1.00 0.00 O ATOM 1039 CB ILE A 69 -5.668 -4.986 -3.603 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.129 -3.786 -4.386 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -4.522 -5.868 -3.121 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -4.719 -2.628 -3.502 1.00 0.00 C ATOM 0 H ILE A 69 -7.695 -3.993 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.115 -6.209 -5.324 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.206 -4.613 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.271 -4.103 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.892 -3.446 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.838 -5.276 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.920 -6.688 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.987 -6.271 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.347 -1.812 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.580 -2.285 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.934 -2.952 -2.818 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.305 -6.652 -2.930 1.00 0.00 N ATOM 1055 CA LYS A 70 -8.959 -7.637 -2.077 1.00 0.00 C ATOM 1056 C LYS A 70 -9.690 -8.683 -2.911 1.00 0.00 C ATOM 1057 O LYS A 70 -9.838 -9.834 -2.499 1.00 0.00 O ATOM 1058 CB LYS A 70 -9.943 -6.947 -1.125 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.145 -6.343 -1.828 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.451 -6.757 -1.172 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.425 -5.590 -1.071 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.551 -5.721 -2.035 1.00 0.00 N ATOM 0 H LYS A 70 -8.757 -5.738 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.189 -8.140 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.290 -7.670 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.419 -6.162 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.063 -5.256 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.149 -6.654 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.907 -7.563 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.249 -7.150 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.820 -5.534 -0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.894 -4.657 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.163 -4.883 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.174 -5.800 -3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.104 -6.572 -1.809 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.150 -8.270 -4.082 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.872 -9.156 -4.978 1.00 0.00 C ATOM 1078 C GLN A 71 -9.911 -10.102 -5.687 1.00 0.00 C ATOM 1079 O GLN A 71 -10.225 -11.268 -5.920 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.694 -8.314 -5.975 1.00 0.00 C ATOM 1081 CG GLN A 71 -11.925 -8.955 -7.340 1.00 0.00 C ATOM 1082 CD GLN A 71 -11.476 -8.064 -8.485 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -12.120 -8.011 -9.533 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -10.364 -7.356 -8.295 1.00 0.00 N ATOM 0 H GLN A 71 -10.034 -7.320 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.561 -9.776 -4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.663 -8.095 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.188 -7.360 -6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.387 -9.902 -7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.984 -9.184 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.859 -7.427 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.018 -6.742 -9.033 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.738 -9.592 -6.021 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.725 -10.390 -6.699 1.00 0.00 C ATOM 1095 C ARG A 72 -6.828 -11.101 -5.692 1.00 0.00 C ATOM 1096 O ARG A 72 -6.254 -12.148 -5.986 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.885 -9.509 -7.623 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.583 -9.160 -8.928 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.315 -10.200 -10.005 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.553 -10.778 -10.528 1.00 0.00 N ATOM 1101 CZ ARG A 72 -8.957 -12.026 -10.294 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -8.231 -12.845 -9.542 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -10.094 -12.458 -10.817 1.00 0.00 N ATOM 0 H ARG A 72 -8.461 -8.628 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.234 -11.146 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.629 -8.588 -7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.948 -10.020 -7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.657 -9.082 -8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.243 -8.183 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.756 -9.742 -10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.689 -10.993 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.146 -10.187 -11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.353 -12.521 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.551 -13.798 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.657 -11.836 -11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.406 -13.413 -10.640 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.717 -10.522 -4.503 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.894 -11.096 -3.445 1.00 0.00 C ATOM 1119 C HIS A 73 -6.411 -10.680 -2.074 1.00 0.00 C ATOM 1120 O HIS A 73 -5.910 -9.729 -1.474 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.437 -10.665 -3.616 1.00 0.00 C ATOM 1122 CG HIS A 73 -3.966 -10.768 -5.029 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -3.412 -11.916 -5.551 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.016 -9.879 -6.045 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -3.146 -11.731 -6.829 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -3.507 -10.503 -7.157 1.00 0.00 N ATOM 0 H HIS A 73 -7.187 -9.654 -4.247 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.950 -12.182 -3.517 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.325 -9.636 -3.274 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.803 -11.283 -2.980 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.235 -12.775 -5.030 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.387 -8.866 -5.992 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.707 -12.460 -7.495 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.429 -11.392 -1.559 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.019 -11.093 -0.252 1.00 0.00 C ATOM 1137 C PRO A 74 -7.119 -11.503 0.914 1.00 0.00 C ATOM 1138 O PRO A 74 -7.598 -12.004 1.930 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.303 -11.924 -0.248 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.021 -13.064 -1.164 1.00 0.00 C ATOM 1141 CD PRO A 74 -8.086 -12.536 -2.218 1.00 0.00 C ATOM 0 HA PRO A 74 -8.179 -10.023 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.545 -12.274 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.154 -11.339 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.568 -13.895 -0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.941 -13.439 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.362 -13.291 -2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.625 -12.227 -3.114 1.00 0.00 H new ATOM 1149 N MET A 75 -5.812 -11.294 0.761 1.00 0.00 N ATOM 1150 CA MET A 75 -4.849 -11.651 1.802 1.00 0.00 C ATOM 1151 C MET A 75 -3.729 -10.617 1.914 1.00 0.00 C ATOM 1152 O MET A 75 -3.186 -10.386 2.994 1.00 0.00 O ATOM 1153 CB MET A 75 -4.252 -13.031 1.515 1.00 0.00 C ATOM 1154 CG MET A 75 -5.291 -14.128 1.356 1.00 0.00 C ATOM 1155 SD MET A 75 -5.517 -15.089 2.865 1.00 0.00 S ATOM 1156 CE MET A 75 -5.025 -16.719 2.312 1.00 0.00 C ATOM 0 H MET A 75 -5.396 -10.880 -0.073 1.00 0.00 H new ATOM 0 HA MET A 75 -5.383 -11.673 2.752 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.654 -12.976 0.606 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.575 -13.299 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.243 -13.683 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.991 -14.794 0.547 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.112 -17.425 3.138 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.672 -17.036 1.494 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.992 -16.690 1.967 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.384 -10.009 0.786 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.323 -9.006 0.730 1.00 0.00 C ATOM 1168 C LEU A 76 -2.641 -7.793 1.606 1.00 0.00 C ATOM 1169 O LEU A 76 -3.684 -7.160 1.441 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.129 -8.553 -0.716 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.692 -8.606 -1.226 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.673 -8.557 -2.744 1.00 0.00 C ATOM 1173 CD2 LEU A 76 0.119 -7.464 -0.636 1.00 0.00 C ATOM 0 H LEU A 76 -3.828 -10.195 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.409 -9.462 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.750 -9.175 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.494 -7.530 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.238 -9.545 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.358 -8.595 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.225 -9.408 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.138 -7.632 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.142 -7.514 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.327 -6.513 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.124 -7.545 0.451 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.742 -7.440 2.547 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.942 -6.286 3.428 1.00 0.00 C ATOM 1187 C PRO A 77 -1.799 -4.962 2.686 1.00 0.00 C ATOM 1188 O PRO A 77 -0.792 -4.715 2.022 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.840 -6.438 4.476 1.00 0.00 C ATOM 1190 CG PRO A 77 0.232 -7.205 3.787 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.462 -8.125 2.820 1.00 0.00 C ATOM 0 HA PRO A 77 -2.946 -6.267 3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.478 -5.467 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.202 -6.967 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.915 -6.535 3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.827 -7.771 4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.121 -8.263 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.620 -9.114 3.250 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.816 -4.118 2.803 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.818 -2.819 2.144 1.00 0.00 C ATOM 1201 C VAL A 78 -2.605 -1.688 3.147 1.00 0.00 C ATOM 1202 O VAL A 78 -3.148 -1.710 4.255 1.00 0.00 O ATOM 1203 CB VAL A 78 -4.144 -2.570 1.399 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -4.020 -1.374 0.470 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.572 -3.811 0.626 1.00 0.00 C ATOM 0 H VAL A 78 -3.654 -4.312 3.351 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.996 -2.831 1.429 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.914 -2.350 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.967 -1.215 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.770 -0.486 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.234 -1.562 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.510 -3.612 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.803 -4.069 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.709 -4.642 1.318 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.820 -0.696 2.745 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.541 0.453 3.596 1.00 0.00 C ATOM 1217 C ILE A 79 -1.844 1.750 2.861 1.00 0.00 C ATOM 1218 O ILE A 79 -1.150 2.113 1.914 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.075 0.474 4.068 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.326 -0.898 4.615 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.122 1.549 5.126 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.602 -1.441 4.011 1.00 0.00 C ATOM 0 H ILE A 79 -1.365 -0.665 1.833 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.186 0.364 4.470 1.00 0.00 H new ATOM 0 HB ILE A 79 0.564 0.706 3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.447 -0.828 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.483 -1.604 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.162 1.553 5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.131 2.523 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.524 1.342 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.824 -2.416 4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.479 -1.544 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.423 -0.755 4.219 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.896 2.431 3.292 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.307 3.680 2.663 1.00 0.00 C ATOM 1236 C ILE A 80 -2.918 4.894 3.500 1.00 0.00 C ATOM 1237 O ILE A 80 -2.890 4.828 4.729 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.823 3.699 2.426 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.265 2.385 1.785 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.215 4.885 1.557 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.800 2.220 0.354 1.00 0.00 C ATOM 0 H ILE A 80 -3.481 2.140 4.075 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.785 3.736 1.708 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.329 3.806 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.884 1.555 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.353 2.325 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.294 4.881 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.924 5.811 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.709 4.814 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.151 1.264 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.202 3.030 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.711 2.247 0.320 1.00 0.00 H new ATOM 1253 N MET A 81 -2.624 6.008 2.829 1.00 0.00 N ATOM 1254 CA MET A 81 -2.246 7.232 3.532 1.00 0.00 C ATOM 1255 C MET A 81 -3.447 7.823 4.274 1.00 0.00 C ATOM 1256 O MET A 81 -3.524 7.747 5.498 1.00 0.00 O ATOM 1257 CB MET A 81 -1.634 8.274 2.579 1.00 0.00 C ATOM 1258 CG MET A 81 -2.297 8.377 1.213 1.00 0.00 C ATOM 1259 SD MET A 81 -2.817 10.061 0.815 1.00 0.00 S ATOM 1260 CE MET A 81 -1.259 10.938 0.905 1.00 0.00 C ATOM 0 H MET A 81 -2.640 6.088 1.812 1.00 0.00 H new ATOM 0 HA MET A 81 -1.481 6.965 4.261 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.677 9.251 3.060 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.580 8.036 2.436 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.603 8.025 0.450 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.164 7.717 1.184 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.182 11.630 0.067 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.208 11.494 1.841 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.437 10.224 0.862 1.00 0.00 H new ATOM 1270 N THR A 82 -4.381 8.410 3.535 1.00 0.00 N ATOM 1271 CA THR A 82 -5.562 9.016 4.144 1.00 0.00 C ATOM 1272 C THR A 82 -6.796 8.147 3.926 1.00 0.00 C ATOM 1273 O THR A 82 -6.802 7.258 3.074 1.00 0.00 O ATOM 1274 CB THR A 82 -5.798 10.413 3.560 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.576 11.113 3.422 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.723 11.269 4.397 1.00 0.00 C ATOM 0 H THR A 82 -4.345 8.480 2.518 1.00 0.00 H new ATOM 0 HA THR A 82 -5.386 9.099 5.216 1.00 0.00 H new ATOM 0 HB THR A 82 -6.268 10.241 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.089 10.771 2.643 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.845 12.243 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.695 10.782 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.297 11.399 5.392 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.834 8.400 4.716 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.071 7.633 4.627 1.00 0.00 C ATOM 1286 C ALA A 83 -10.223 8.483 4.097 1.00 0.00 C ATOM 1287 O ALA A 83 -11.203 7.950 3.572 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.420 7.060 5.991 1.00 0.00 C ATOM 0 H ALA A 83 -7.843 9.132 5.426 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.914 6.818 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.345 6.488 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.615 6.407 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.551 7.873 6.705 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.105 9.803 4.230 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.137 10.722 3.759 1.00 0.00 C ATOM 1296 C HIS A 84 -12.535 10.234 4.143 1.00 0.00 C ATOM 1297 O HIS A 84 -12.683 9.384 5.022 1.00 0.00 O ATOM 1298 CB HIS A 84 -11.014 10.887 2.245 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.988 11.897 1.838 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.330 12.064 0.667 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.521 12.885 2.680 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -8.487 13.137 0.822 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -8.622 13.615 2.044 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.302 10.260 4.662 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.991 11.690 4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.761 9.924 1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.982 11.180 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.841 13.038 3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.821 13.526 0.066 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -8.118 14.412 2.432 1.00 0.00 H new ATOM 1312 N SER A 85 -13.560 10.778 3.488 1.00 0.00 N ATOM 1313 CA SER A 85 -14.941 10.400 3.771 1.00 0.00 C ATOM 1314 C SER A 85 -15.336 9.104 3.061 1.00 0.00 C ATOM 1315 O SER A 85 -16.505 8.902 2.733 1.00 0.00 O ATOM 1316 CB SER A 85 -15.891 11.525 3.354 1.00 0.00 C ATOM 1317 OG SER A 85 -17.244 11.182 3.614 1.00 0.00 O ATOM 0 H SER A 85 -13.458 11.482 2.757 1.00 0.00 H new ATOM 0 HA SER A 85 -15.019 10.231 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.635 12.438 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.765 11.735 2.292 1.00 0.00 H new ATOM 0 HG SER A 85 -17.443 10.309 3.215 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.364 8.226 2.831 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.625 6.954 2.169 1.00 0.00 C ATOM 1325 C ASP A 86 -14.058 5.793 2.980 1.00 0.00 C ATOM 1326 O ASP A 86 -13.764 4.731 2.435 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.025 6.952 0.762 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.060 7.246 -0.308 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.762 8.272 -0.188 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.165 6.451 -1.265 1.00 0.00 O ATOM 0 H ASP A 86 -13.389 8.373 3.093 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.705 6.828 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.229 7.695 0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.569 5.982 0.566 1.00 0.00 H new ATOM 1335 N LEU A 87 -13.910 6.001 4.288 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.379 4.970 5.177 1.00 0.00 C ATOM 1337 C LEU A 87 -14.104 3.639 4.985 1.00 0.00 C ATOM 1338 O LEU A 87 -13.565 2.578 5.296 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.490 5.422 6.637 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.156 5.665 7.345 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.387 6.187 8.755 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.332 4.388 7.380 1.00 0.00 C ATOM 0 H LEU A 87 -14.151 6.875 4.755 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.329 4.821 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.075 6.341 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.047 4.668 7.193 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.602 6.419 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.427 6.354 9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.939 7.126 8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.961 5.456 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.386 4.579 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.882 3.615 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.136 4.053 6.361 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.331 3.703 4.481 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.132 2.506 4.254 1.00 0.00 C ATOM 1356 C ASP A 88 -15.338 1.425 3.522 1.00 0.00 C ATOM 1357 O ASP A 88 -15.210 0.301 4.007 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.388 2.861 3.459 1.00 0.00 C ATOM 1359 CG ASP A 88 -17.084 3.655 2.204 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.948 4.893 2.300 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.984 3.036 1.123 1.00 0.00 O ATOM 0 H ASP A 88 -15.794 4.574 4.221 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.417 2.107 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.911 1.944 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.063 3.436 4.093 1.00 0.00 H new ATOM 1366 N ALA A 89 -14.817 1.768 2.348 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.045 0.821 1.551 1.00 0.00 C ATOM 1368 C ALA A 89 -12.819 0.316 2.310 1.00 0.00 C ATOM 1369 O ALA A 89 -12.295 -0.755 2.009 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.636 1.447 0.224 1.00 0.00 C ATOM 0 H ALA A 89 -14.915 2.692 1.928 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.683 -0.039 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.061 0.726 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.528 1.733 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.026 2.331 0.411 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.375 1.082 3.302 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.221 0.684 4.102 1.00 0.00 C ATOM 1378 C ALA A 90 -11.585 -0.488 4.999 1.00 0.00 C ATOM 1379 O ALA A 90 -10.765 -1.372 5.252 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.711 1.844 4.950 1.00 0.00 C ATOM 0 H ALA A 90 -12.792 1.974 3.570 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.426 0.384 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.851 1.517 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.416 2.668 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.501 2.178 5.622 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.823 -0.483 5.483 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.302 -1.540 6.361 1.00 0.00 C ATOM 1388 C VAL A 91 -13.239 -2.902 5.680 1.00 0.00 C ATOM 1389 O VAL A 91 -12.797 -3.882 6.279 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.740 -1.284 6.841 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.089 -2.258 7.953 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.905 0.156 7.310 1.00 0.00 C ATOM 0 H VAL A 91 -13.511 0.242 5.281 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.640 -1.539 7.227 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.424 -1.442 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.109 -2.074 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.009 -3.279 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.400 -2.121 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.930 0.314 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.219 0.351 8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.684 0.835 6.486 1.00 0.00 H new ATOM 1402 N SER A 92 -13.677 -2.960 4.427 1.00 0.00 N ATOM 1403 CA SER A 92 -13.659 -4.208 3.676 1.00 0.00 C ATOM 1404 C SER A 92 -12.233 -4.725 3.535 1.00 0.00 C ATOM 1405 O SER A 92 -11.992 -5.933 3.546 1.00 0.00 O ATOM 1406 CB SER A 92 -14.277 -4.010 2.293 1.00 0.00 C ATOM 1407 OG SER A 92 -15.608 -3.536 2.390 1.00 0.00 O ATOM 0 H SER A 92 -14.047 -2.161 3.913 1.00 0.00 H new ATOM 0 HA SER A 92 -14.249 -4.943 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.677 -3.302 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.263 -4.953 1.747 1.00 0.00 H new ATOM 0 HG SER A 92 -15.979 -3.416 1.491 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.290 -3.800 3.409 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.888 -4.158 3.273 1.00 0.00 C ATOM 1415 C ALA A 93 -9.408 -4.952 4.479 1.00 0.00 C ATOM 1416 O ALA A 93 -8.680 -5.932 4.348 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.042 -2.910 3.093 1.00 0.00 C ATOM 0 H ALA A 93 -11.473 -2.797 3.398 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.782 -4.787 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.994 -3.192 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.363 -2.379 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.161 -2.261 3.961 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.817 -4.520 5.658 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.422 -5.199 6.888 1.00 0.00 C ATOM 1425 C TYR A 94 -9.804 -6.672 6.825 1.00 0.00 C ATOM 1426 O TYR A 94 -9.204 -7.514 7.495 1.00 0.00 O ATOM 1427 CB TYR A 94 -10.074 -4.540 8.106 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.905 -3.039 8.144 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.707 -2.441 7.765 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.943 -2.218 8.564 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.554 -1.069 7.802 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.794 -0.845 8.602 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.600 -0.276 8.220 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.452 1.091 8.261 1.00 0.00 O ATOM 0 H TYR A 94 -10.419 -3.708 5.794 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.340 -5.117 6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.138 -4.778 8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.647 -4.968 9.013 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.884 -3.059 7.437 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.881 -2.660 8.866 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.618 -0.620 7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.611 -0.220 8.930 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.836 1.375 7.553 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.801 -6.974 6.003 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.262 -8.344 5.832 1.00 0.00 C ATOM 1446 C GLN A 95 -10.275 -9.120 4.965 1.00 0.00 C ATOM 1447 O GLN A 95 -9.970 -10.281 5.238 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.680 -8.362 5.223 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.747 -8.725 3.744 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.797 -7.937 2.995 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.412 -7.406 1.843 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -14.934 -7.803 3.447 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.306 -6.287 5.444 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.314 -8.829 6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.289 -9.072 5.783 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.129 -7.378 5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.773 -8.550 3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.959 -9.790 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.182 -8.231 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.628 -7.264 2.930 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.776 -8.463 3.921 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.823 -9.084 3.015 1.00 0.00 C ATOM 1463 C GLN A 96 -7.430 -9.127 3.636 1.00 0.00 C ATOM 1464 O GLN A 96 -6.570 -9.892 3.199 1.00 0.00 O ATOM 1465 CB GLN A 96 -8.791 -8.350 1.670 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.175 -6.962 1.730 1.00 0.00 C ATOM 1467 CD GLN A 96 -6.661 -6.992 1.714 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -6.049 -6.073 2.449 1.00 0.00 O flip ATOM 1469 NE2 GLN A 96 -6.049 -7.828 1.048 1.00 0.00 N flip ATOM 0 H GLN A 96 -10.018 -7.501 3.684 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.148 -10.109 2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.232 -8.952 0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.809 -8.267 1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.531 -6.374 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.515 -6.457 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.562 -8.516 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.029 -7.832 1.047 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.214 -8.310 4.665 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.930 -8.285 5.334 1.00 0.00 C ATOM 1480 C GLY A 97 -5.290 -6.907 5.357 1.00 0.00 C ATOM 1481 O GLY A 97 -4.089 -6.789 5.589 1.00 0.00 O ATOM 0 H GLY A 97 -7.908 -7.666 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.055 -8.637 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.256 -8.983 4.837 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.084 -5.860 5.126 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.556 -4.498 5.132 1.00 0.00 C ATOM 1487 C ALA A 98 -4.715 -4.248 6.372 1.00 0.00 C ATOM 1488 O ALA A 98 -5.052 -4.708 7.462 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.678 -3.477 5.051 1.00 0.00 C ATOM 0 H ALA A 98 -7.084 -5.929 4.935 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.922 -4.387 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.256 -2.472 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.242 -3.628 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.342 -3.597 5.907 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.620 -3.522 6.202 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.746 -3.224 7.318 1.00 0.00 C ATOM 1497 C PHE A 99 -3.347 -2.149 8.207 1.00 0.00 C ATOM 1498 O PHE A 99 -3.477 -2.340 9.416 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.372 -2.776 6.826 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.326 -2.829 7.901 1.00 0.00 C ATOM 1501 CD1 PHE A 99 0.106 -4.045 8.402 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.217 -1.664 8.417 1.00 0.00 C ATOM 1503 CE1 PHE A 99 1.059 -4.099 9.399 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.173 -1.711 9.414 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.595 -2.931 9.905 1.00 0.00 C ATOM 0 H PHE A 99 -3.320 -3.133 5.308 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.632 -4.138 7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.064 -3.409 5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.442 -1.758 6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.307 -4.962 8.008 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.110 -0.708 8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.385 -5.054 9.783 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.589 -0.796 9.808 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.343 -2.972 10.683 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.713 -1.017 7.605 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.300 0.090 8.361 1.00 0.00 C ATOM 1517 C ASP A 100 -4.353 1.372 7.528 1.00 0.00 C ATOM 1518 O ASP A 100 -4.085 1.358 6.327 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.499 0.344 9.644 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.007 0.242 9.423 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.516 0.822 8.434 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.330 -0.420 10.238 1.00 0.00 O ATOM 0 H ASP A 100 -3.615 -0.843 6.605 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.320 -0.194 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.739 1.335 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.801 -0.375 10.405 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.702 2.475 8.184 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.795 3.776 7.529 1.00 0.00 C ATOM 1529 C TYR A 101 -4.045 4.838 8.334 1.00 0.00 C ATOM 1530 O TYR A 101 -3.885 4.709 9.547 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.261 4.185 7.363 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.845 3.826 6.013 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.181 2.512 5.705 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.060 4.799 5.045 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.710 2.181 4.474 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.591 4.474 3.811 1.00 0.00 C ATOM 1537 CZ TYR A 101 -7.913 3.165 3.532 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.436 2.834 2.307 1.00 0.00 O ATOM 0 H TYR A 101 -4.927 2.493 9.179 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.336 3.696 6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.853 3.707 8.144 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.348 5.261 7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.025 1.738 6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.808 5.827 5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -7.964 1.155 4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.752 5.243 3.070 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.603 1.869 2.273 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.584 5.882 7.652 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.845 6.960 8.307 1.00 0.00 C ATOM 1550 C LEU A 102 -3.744 8.184 8.514 1.00 0.00 C ATOM 1551 O LEU A 102 -4.315 8.708 7.559 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.636 7.351 7.451 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.279 7.321 8.159 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.070 6.005 8.878 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.839 7.550 7.156 1.00 0.00 C ATOM 0 H LEU A 102 -3.708 6.006 6.647 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.507 6.606 9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.591 6.681 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.800 8.356 7.063 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.265 8.120 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.902 6.011 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.855 5.868 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.106 5.187 8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.800 7.527 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.814 6.767 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.706 8.521 6.679 1.00 0.00 H new ATOM 1567 N PRO A 103 -3.891 8.657 9.766 1.00 0.00 N ATOM 1568 CA PRO A 103 -4.730 9.818 10.062 1.00 0.00 C ATOM 1569 C PRO A 103 -4.105 11.135 9.595 1.00 0.00 C ATOM 1570 O PRO A 103 -4.499 11.682 8.566 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.871 9.790 11.586 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.693 9.020 12.086 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.259 8.098 10.976 1.00 0.00 C ATOM 0 HA PRO A 103 -5.685 9.766 9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.882 10.800 11.997 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.805 9.314 11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.883 9.694 12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -3.956 8.451 12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.173 8.073 10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.587 7.075 11.159 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.141 11.644 10.358 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.483 12.902 10.014 1.00 0.00 C ATOM 1583 C LYS A 104 -1.047 12.683 9.529 1.00 0.00 C ATOM 1584 O LYS A 104 -0.681 13.140 8.446 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.489 13.849 11.214 1.00 0.00 C ATOM 1586 CG LYS A 104 -2.939 15.258 10.870 1.00 0.00 C ATOM 1587 CD LYS A 104 -1.776 16.114 10.390 1.00 0.00 C ATOM 1588 CE LYS A 104 -2.250 17.454 9.848 1.00 0.00 C ATOM 1589 NZ LYS A 104 -3.170 17.294 8.687 1.00 0.00 N ATOM 0 H LYS A 104 -2.799 11.208 11.214 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.046 13.350 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.146 13.444 11.984 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.486 13.890 11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.706 15.217 10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.394 15.720 11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.082 16.280 11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.228 15.581 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.758 18.006 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.387 18.049 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.215 18.186 8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.818 16.537 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.121 17.047 9.029 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.208 11.988 10.321 1.00 0.00 N ATOM 1604 CA PRO A 105 1.189 11.731 9.949 1.00 0.00 C ATOM 1605 C PRO A 105 1.315 11.044 8.596 1.00 0.00 C ATOM 1606 O PRO A 105 0.396 10.354 8.154 1.00 0.00 O ATOM 1607 CB PRO A 105 1.696 10.809 11.060 1.00 0.00 C ATOM 1608 CG PRO A 105 0.804 11.086 12.219 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.542 11.397 11.629 1.00 0.00 C ATOM 0 HA PRO A 105 1.755 12.657 9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.643 9.762 10.761 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.738 11.018 11.303 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.750 10.226 12.886 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.176 11.924 12.809 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.152 10.500 11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.104 12.092 12.253 1.00 0.00 H new ATOM 1617 N PHE A 106 2.461 11.236 7.947 1.00 0.00 N ATOM 1618 CA PHE A 106 2.719 10.634 6.642 1.00 0.00 C ATOM 1619 C PHE A 106 4.222 10.598 6.344 1.00 0.00 C ATOM 1620 O PHE A 106 4.980 9.965 7.071 1.00 0.00 O ATOM 1621 CB PHE A 106 1.975 11.396 5.544 1.00 0.00 C ATOM 1622 CG PHE A 106 0.493 11.217 5.589 1.00 0.00 C ATOM 1623 CD1 PHE A 106 -0.072 9.983 5.334 1.00 0.00 C ATOM 1624 CD2 PHE A 106 -0.339 12.285 5.888 1.00 0.00 C ATOM 1625 CE1 PHE A 106 -1.436 9.817 5.380 1.00 0.00 C ATOM 1626 CE2 PHE A 106 -1.708 12.121 5.935 1.00 0.00 C ATOM 1627 CZ PHE A 106 -2.260 10.883 5.679 1.00 0.00 C ATOM 0 H PHE A 106 3.228 11.806 8.305 1.00 0.00 H new ATOM 0 HA PHE A 106 2.352 9.608 6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.207 12.458 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.343 11.067 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.562 9.142 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.089 13.256 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.865 8.846 5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.346 12.960 6.172 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.331 10.749 5.712 1.00 0.00 H new ATOM 1637 N ASP A 107 4.651 11.270 5.268 1.00 0.00 N ATOM 1638 CA ASP A 107 6.062 11.297 4.888 1.00 0.00 C ATOM 1639 C ASP A 107 6.664 9.892 4.903 1.00 0.00 C ATOM 1640 O ASP A 107 6.005 8.929 5.285 1.00 0.00 O ATOM 1641 CB ASP A 107 6.849 12.229 5.812 1.00 0.00 C ATOM 1642 CG ASP A 107 6.927 11.710 7.233 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.570 10.663 7.446 1.00 0.00 O ATOM 1644 OD2 ASP A 107 6.344 12.352 8.133 1.00 0.00 O ATOM 0 H ASP A 107 4.039 11.801 4.648 1.00 0.00 H new ATOM 0 HA ASP A 107 6.129 11.680 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.858 12.357 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.381 13.213 5.814 1.00 0.00 H new ATOM 1649 N ILE A 108 7.911 9.781 4.475 1.00 0.00 N ATOM 1650 CA ILE A 108 8.586 8.489 4.435 1.00 0.00 C ATOM 1651 C ILE A 108 8.825 7.943 5.833 1.00 0.00 C ATOM 1652 O ILE A 108 8.607 6.763 6.098 1.00 0.00 O ATOM 1653 CB ILE A 108 9.911 8.579 3.641 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.734 7.944 2.265 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.076 7.923 4.381 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.630 8.577 1.448 1.00 0.00 C ATOM 0 H ILE A 108 8.477 10.565 4.151 1.00 0.00 H new ATOM 0 HA ILE A 108 7.929 7.791 3.917 1.00 0.00 H new ATOM 0 HB ILE A 108 10.156 9.635 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.672 8.020 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.521 6.882 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.983 8.012 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.223 8.419 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.854 6.869 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.560 8.077 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.683 8.478 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.851 9.633 1.294 1.00 0.00 H new ATOM 1668 N ASP A 109 9.283 8.804 6.716 1.00 0.00 N ATOM 1669 CA ASP A 109 9.568 8.407 8.091 1.00 0.00 C ATOM 1670 C ASP A 109 8.401 7.636 8.706 1.00 0.00 C ATOM 1671 O ASP A 109 8.587 6.533 9.209 1.00 0.00 O ATOM 1672 CB ASP A 109 9.912 9.632 8.943 1.00 0.00 C ATOM 1673 CG ASP A 109 11.372 10.023 8.817 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.772 10.474 7.723 1.00 0.00 O ATOM 1675 OD2 ASP A 109 12.114 9.878 9.811 1.00 0.00 O ATOM 0 H ASP A 109 9.468 9.786 6.513 1.00 0.00 H new ATOM 0 HA ASP A 109 10.430 7.741 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.285 10.471 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.682 9.423 9.988 1.00 0.00 H new ATOM 1680 N GLU A 110 7.201 8.213 8.672 1.00 0.00 N ATOM 1681 CA GLU A 110 6.029 7.562 9.241 1.00 0.00 C ATOM 1682 C GLU A 110 5.415 6.550 8.279 1.00 0.00 C ATOM 1683 O GLU A 110 4.900 5.514 8.705 1.00 0.00 O ATOM 1684 CB GLU A 110 4.980 8.597 9.647 1.00 0.00 C ATOM 1685 CG GLU A 110 5.523 9.702 10.538 1.00 0.00 C ATOM 1686 CD GLU A 110 5.113 9.531 11.989 1.00 0.00 C ATOM 1687 OE1 GLU A 110 5.360 8.443 12.549 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.545 10.485 12.562 1.00 0.00 O ATOM 0 H GLU A 110 7.018 9.127 8.257 1.00 0.00 H new ATOM 0 HA GLU A 110 6.362 7.022 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.556 9.043 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.166 8.091 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.611 9.718 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.167 10.666 10.174 1.00 0.00 H new ATOM 1695 N ALA A 111 5.469 6.844 6.986 1.00 0.00 N ATOM 1696 CA ALA A 111 4.913 5.941 5.986 1.00 0.00 C ATOM 1697 C ALA A 111 5.752 4.675 5.897 1.00 0.00 C ATOM 1698 O ALA A 111 5.248 3.569 6.096 1.00 0.00 O ATOM 1699 CB ALA A 111 4.811 6.622 4.630 1.00 0.00 C ATOM 0 H ALA A 111 5.888 7.693 6.607 1.00 0.00 H new ATOM 0 HA ALA A 111 3.904 5.667 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.393 5.925 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.164 7.495 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.803 6.934 4.304 1.00 0.00 H new ATOM 1705 N VAL A 112 7.040 4.843 5.614 1.00 0.00 N ATOM 1706 CA VAL A 112 7.951 3.712 5.524 1.00 0.00 C ATOM 1707 C VAL A 112 7.997 2.958 6.847 1.00 0.00 C ATOM 1708 O VAL A 112 8.190 1.744 6.884 1.00 0.00 O ATOM 1709 CB VAL A 112 9.370 4.161 5.148 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.283 2.957 4.978 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.336 5.001 3.882 1.00 0.00 C ATOM 0 H VAL A 112 7.474 5.750 5.444 1.00 0.00 H new ATOM 0 HA VAL A 112 7.575 3.054 4.740 1.00 0.00 H new ATOM 0 HB VAL A 112 9.770 4.774 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.285 3.295 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.325 2.398 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.895 2.315 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.348 5.314 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.920 4.411 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.715 5.882 4.046 1.00 0.00 H new ATOM 1721 N ALA A 113 7.803 3.686 7.928 1.00 0.00 N ATOM 1722 CA ALA A 113 7.796 3.089 9.253 1.00 0.00 C ATOM 1723 C ALA A 113 6.665 2.083 9.363 1.00 0.00 C ATOM 1724 O ALA A 113 6.839 0.972 9.860 1.00 0.00 O ATOM 1725 CB ALA A 113 7.616 4.164 10.304 1.00 0.00 C ATOM 0 H ALA A 113 7.648 4.694 7.917 1.00 0.00 H new ATOM 0 HA ALA A 113 8.747 2.582 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.612 3.708 11.294 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.436 4.879 10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.670 4.680 10.138 1.00 0.00 H new ATOM 1731 N LEU A 114 5.497 2.508 8.895 1.00 0.00 N ATOM 1732 CA LEU A 114 4.297 1.694 8.925 1.00 0.00 C ATOM 1733 C LEU A 114 4.356 0.569 7.896 1.00 0.00 C ATOM 1734 O LEU A 114 3.719 -0.469 8.068 1.00 0.00 O ATOM 1735 CB LEU A 114 3.079 2.585 8.673 1.00 0.00 C ATOM 1736 CG LEU A 114 1.721 1.881 8.683 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.234 1.667 10.108 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.712 2.700 7.899 1.00 0.00 C ATOM 0 H LEU A 114 5.360 3.431 8.483 1.00 0.00 H new ATOM 0 HA LEU A 114 4.217 1.230 9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.065 3.370 9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.205 3.075 7.707 1.00 0.00 H new ATOM 0 HG LEU A 114 1.832 0.904 8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.267 1.165 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.952 1.052 10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.133 2.631 10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.254 2.194 7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.611 3.685 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.053 2.810 6.870 1.00 0.00 H new ATOM 1750 N VAL A 115 5.114 0.780 6.824 1.00 0.00 N ATOM 1751 CA VAL A 115 5.235 -0.236 5.779 1.00 0.00 C ATOM 1752 C VAL A 115 6.210 -1.342 6.171 1.00 0.00 C ATOM 1753 O VAL A 115 5.943 -2.523 5.956 1.00 0.00 O ATOM 1754 CB VAL A 115 5.644 0.360 4.411 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.126 0.699 4.368 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.290 -0.608 3.292 1.00 0.00 C ATOM 0 H VAL A 115 5.648 1.633 6.655 1.00 0.00 H new ATOM 0 HA VAL A 115 4.239 -0.667 5.673 1.00 0.00 H new ATOM 0 HB VAL A 115 5.089 1.288 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.376 1.115 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.355 1.430 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.711 -0.205 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.582 -0.179 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.818 -1.549 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.215 -0.791 3.295 1.00 0.00 H new ATOM 1766 N GLU A 116 7.344 -0.952 6.747 1.00 0.00 N ATOM 1767 CA GLU A 116 8.355 -1.915 7.167 1.00 0.00 C ATOM 1768 C GLU A 116 7.830 -2.792 8.298 1.00 0.00 C ATOM 1769 O GLU A 116 7.987 -4.013 8.276 1.00 0.00 O ATOM 1770 CB GLU A 116 9.624 -1.190 7.610 1.00 0.00 C ATOM 1771 CG GLU A 116 10.337 -0.476 6.474 1.00 0.00 C ATOM 1772 CD GLU A 116 11.568 0.278 6.934 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.623 -0.364 7.120 1.00 0.00 O ATOM 1774 OE2 GLU A 116 11.478 1.512 7.105 1.00 0.00 O ATOM 0 H GLU A 116 7.585 0.022 6.933 1.00 0.00 H new ATOM 0 HA GLU A 116 8.591 -2.555 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.369 -0.464 8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.306 -1.910 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.625 -1.205 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.646 0.221 5.999 1.00 0.00 H new ATOM 1781 N ARG A 117 7.197 -2.163 9.283 1.00 0.00 N ATOM 1782 CA ARG A 117 6.641 -2.890 10.419 1.00 0.00 C ATOM 1783 C ARG A 117 5.614 -3.913 9.952 1.00 0.00 C ATOM 1784 O ARG A 117 5.379 -4.924 10.614 1.00 0.00 O ATOM 1785 CB ARG A 117 5.995 -1.915 11.404 1.00 0.00 C ATOM 1786 CG ARG A 117 4.793 -1.182 10.831 1.00 0.00 C ATOM 1787 CD ARG A 117 3.810 -0.784 11.920 1.00 0.00 C ATOM 1788 NE ARG A 117 4.329 0.296 12.756 1.00 0.00 N ATOM 1789 CZ ARG A 117 3.729 0.732 13.860 1.00 0.00 C ATOM 1790 NH1 ARG A 117 2.587 0.188 14.261 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.270 1.718 14.564 1.00 0.00 N ATOM 0 H ARG A 117 7.056 -1.153 9.318 1.00 0.00 H new ATOM 0 HA ARG A 117 7.453 -3.417 10.920 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.686 -2.462 12.295 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.739 -1.184 11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.128 -0.291 10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.291 -1.818 10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.871 -0.471 11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.588 -1.651 12.543 1.00 0.00 H new ATOM 0 HE ARG A 117 5.203 0.742 12.477 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.165 -0.568 13.722 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.131 0.526 15.108 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.146 2.142 14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.810 2.052 15.411 1.00 0.00 H new ATOM 1805 N ALA A 118 5.006 -3.641 8.803 1.00 0.00 N ATOM 1806 CA ALA A 118 4.005 -4.531 8.237 1.00 0.00 C ATOM 1807 C ALA A 118 4.636 -5.833 7.770 1.00 0.00 C ATOM 1808 O ALA A 118 4.088 -6.915 7.987 1.00 0.00 O ATOM 1809 CB ALA A 118 3.279 -3.848 7.086 1.00 0.00 C ATOM 0 H ALA A 118 5.191 -2.807 8.245 1.00 0.00 H new ATOM 0 HA ALA A 118 3.280 -4.767 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.533 -4.527 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.787 -2.946 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.997 -3.582 6.310 1.00 0.00 H new ATOM 1815 N ILE A 119 5.793 -5.723 7.133 1.00 0.00 N ATOM 1816 CA ILE A 119 6.506 -6.887 6.638 1.00 0.00 C ATOM 1817 C ILE A 119 7.188 -7.630 7.777 1.00 0.00 C ATOM 1818 O ILE A 119 7.349 -8.849 7.734 1.00 0.00 O ATOM 1819 CB ILE A 119 7.560 -6.479 5.595 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.934 -5.576 4.533 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.184 -7.703 4.943 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.850 -4.465 4.081 1.00 0.00 C ATOM 0 H ILE A 119 6.258 -4.834 6.947 1.00 0.00 H new ATOM 0 HA ILE A 119 5.775 -7.546 6.170 1.00 0.00 H new ATOM 0 HB ILE A 119 8.348 -5.927 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.654 -6.181 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.016 -5.142 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.926 -7.386 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.666 -8.315 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.408 -8.286 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.345 -3.861 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.110 -3.838 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.758 -4.892 3.655 1.00 0.00 H new ATOM 1834 N SER A 120 7.585 -6.879 8.793 1.00 0.00 N ATOM 1835 CA SER A 120 8.252 -7.445 9.954 1.00 0.00 C ATOM 1836 C SER A 120 7.280 -8.266 10.793 1.00 0.00 C ATOM 1837 O SER A 120 7.554 -9.419 11.131 1.00 0.00 O ATOM 1838 CB SER A 120 8.866 -6.334 10.808 1.00 0.00 C ATOM 1839 OG SER A 120 9.747 -6.865 11.783 1.00 0.00 O ATOM 0 H SER A 120 7.455 -5.868 8.836 1.00 0.00 H new ATOM 0 HA SER A 120 9.045 -8.103 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.406 -5.636 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.074 -5.769 11.299 1.00 0.00 H new ATOM 0 HG SER A 120 10.127 -6.134 12.314 1.00 0.00 H new ATOM 1845 N HIS A 121 6.143 -7.663 11.128 1.00 0.00 N ATOM 1846 CA HIS A 121 5.127 -8.335 11.931 1.00 0.00 C ATOM 1847 C HIS A 121 4.589 -9.569 11.214 1.00 0.00 C ATOM 1848 O HIS A 121 4.064 -10.484 11.846 1.00 0.00 O ATOM 1849 CB HIS A 121 3.979 -7.376 12.254 1.00 0.00 C ATOM 1850 CG HIS A 121 4.270 -6.461 13.402 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.286 -5.087 13.283 1.00 0.00 N ATOM 1852 CD2 HIS A 121 4.560 -6.728 14.697 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.573 -4.549 14.456 1.00 0.00 C ATOM 1854 NE2 HIS A 121 4.742 -5.522 15.330 1.00 0.00 N ATOM 0 H HIS A 121 5.902 -6.710 10.856 1.00 0.00 H new ATOM 0 HA HIS A 121 5.595 -8.655 12.862 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.756 -6.778 11.370 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.084 -7.956 12.480 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.105 -4.567 12.424 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.634 -7.706 15.148 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.655 -3.492 14.663 1.00 0.00 H new