USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 39 GLN : amide:sc= -0.548 K(o=-0.45,f=-6.8!) USER MOD Set 1.2: A 42 SER OG : rot 56:sc= 0.0949 USER MOD Single : A 3 THR OG1 : rot 26:sc= 0.373 USER MOD Single : A 5 THR OG1 : rot -43:sc= 0.0347 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.562 K(o=0.56,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 2.57 (180deg=2.33) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0525 (180deg=-0.168) USER MOD Single : A 20 ASN : amide:sc= -2.01 K(o=-2,f=-6.2!) USER MOD Single : A 21 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.7!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.75) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00158 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.234 USER MOD Single : A 53 TYR OH : rot -108:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.05) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -145:sc= 1.29 (180deg=1.14) USER MOD Single : A 73 ASN : amide:sc= -0.713 K(o=-0.71,f=-3.2!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 79 ASN : amide:sc= -2.22! C(o=-2.2!,f=-7.3!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 5.494 -20.947 -17.733 1.00 24.00 N ATOM 36 CA THR A 3 4.884 -20.413 -18.907 1.00 63.00 C ATOM 37 C THR A 3 4.196 -19.114 -18.484 1.00 23.00 C ATOM 38 O THR A 3 3.376 -19.114 -17.559 1.00 63.00 O ATOM 39 CB THR A 3 3.885 -21.396 -19.540 1.00 50.00 C ATOM 40 OG1 THR A 3 4.400 -22.739 -19.439 1.00 32.00 O ATOM 41 CG2 THR A 3 3.763 -21.097 -21.009 1.00 1.00 C ATOM 0 HA THR A 3 5.635 -20.229 -19.676 1.00 63.00 H new ATOM 0 HB THR A 3 2.928 -21.299 -19.028 1.00 50.00 H new ATOM 0 HG1 THR A 3 5.017 -22.796 -18.680 1.00 32.00 H new ATOM 0 HG21 THR A 3 3.056 -21.791 -21.464 1.00 1.00 H new ATOM 0 HG22 THR A 3 3.407 -20.076 -21.144 1.00 1.00 H new ATOM 0 HG23 THR A 3 4.737 -21.208 -21.485 1.00 1.00 H new ATOM 49 N ASP A 4 4.579 -18.034 -19.127 1.00 53.00 N ATOM 50 CA ASP A 4 4.151 -16.671 -18.779 1.00 23.00 C ATOM 51 C ASP A 4 2.638 -16.555 -19.015 1.00 12.00 C ATOM 52 O ASP A 4 2.088 -17.319 -19.804 1.00 44.00 O ATOM 53 CB ASP A 4 4.978 -15.727 -19.646 1.00 14.00 C ATOM 54 CG ASP A 4 4.979 -14.280 -19.231 1.00 2.00 C ATOM 55 OD1 ASP A 4 5.737 -13.928 -18.289 1.00 73.00 O ATOM 56 OD2 ASP A 4 4.319 -13.467 -19.870 1.00 13.00 O ATOM 0 H ASP A 4 5.211 -18.065 -19.927 1.00 53.00 H new ATOM 0 HA ASP A 4 4.317 -16.417 -17.732 1.00 23.00 H new ATOM 0 HB2 ASP A 4 6.008 -16.083 -19.655 1.00 14.00 H new ATOM 0 HB3 ASP A 4 4.610 -15.790 -20.670 1.00 14.00 H new ATOM 61 N THR A 5 1.944 -15.671 -18.336 1.00 2.00 N ATOM 62 CA THR A 5 0.479 -15.705 -18.398 1.00 64.00 C ATOM 63 C THR A 5 -0.163 -14.332 -18.194 1.00 31.00 C ATOM 64 O THR A 5 0.324 -13.523 -17.434 1.00 23.00 O ATOM 65 CB THR A 5 -0.073 -16.717 -17.341 1.00 21.00 C ATOM 66 OG1 THR A 5 0.437 -18.035 -17.606 1.00 61.00 O ATOM 67 CG2 THR A 5 -1.586 -16.769 -17.322 1.00 4.00 C ATOM 0 H THR A 5 2.342 -14.938 -17.749 1.00 2.00 H new ATOM 0 HA THR A 5 0.212 -16.029 -19.404 1.00 64.00 H new ATOM 0 HB THR A 5 0.263 -16.367 -16.365 1.00 21.00 H new ATOM 0 HG1 THR A 5 0.392 -18.216 -18.568 1.00 61.00 H new ATOM 0 HG21 THR A 5 -1.916 -17.487 -16.571 1.00 4.00 H new ATOM 0 HG22 THR A 5 -1.981 -15.782 -17.079 1.00 4.00 H new ATOM 0 HG23 THR A 5 -1.952 -17.075 -18.302 1.00 4.00 H new ATOM 75 N LEU A 6 -1.278 -14.094 -18.886 1.00 24.00 N ATOM 76 CA LEU A 6 -2.000 -12.887 -18.776 1.00 22.00 C ATOM 77 C LEU A 6 -2.809 -12.798 -17.472 1.00 33.00 C ATOM 78 O LEU A 6 -2.586 -13.567 -16.550 1.00 1.00 O ATOM 79 CB LEU A 6 -2.824 -12.656 -20.048 1.00 12.00 C ATOM 80 CG LEU A 6 -2.031 -11.974 -21.173 1.00 14.00 C ATOM 81 CD1 LEU A 6 -0.911 -12.814 -21.764 1.00 44.00 C ATOM 82 CD2 LEU A 6 -2.918 -11.342 -22.225 1.00 60.00 C ATOM 0 H LEU A 6 -1.686 -14.762 -19.540 1.00 24.00 H new ATOM 0 HA LEU A 6 -1.294 -12.060 -18.700 1.00 22.00 H new ATOM 0 HB2 LEU A 6 -3.200 -13.614 -20.408 1.00 12.00 H new ATOM 0 HB3 LEU A 6 -3.692 -12.044 -19.803 1.00 12.00 H new ATOM 0 HG LEU A 6 -1.514 -11.153 -20.675 1.00 14.00 H new ATOM 0 HD11 LEU A 6 -0.409 -12.250 -22.550 1.00 44.00 H new ATOM 0 HD12 LEU A 6 -0.194 -13.065 -20.983 1.00 44.00 H new ATOM 0 HD13 LEU A 6 -1.326 -13.730 -22.184 1.00 44.00 H new ATOM 0 HD21 LEU A 6 -2.298 -10.877 -22.992 1.00 60.00 H new ATOM 0 HD22 LEU A 6 -3.545 -12.109 -22.681 1.00 60.00 H new ATOM 0 HD23 LEU A 6 -3.550 -10.585 -21.761 1.00 60.00 H new ATOM 94 N GLU A 7 -3.774 -11.885 -17.414 1.00 10.00 N ATOM 95 CA GLU A 7 -4.436 -11.562 -16.184 1.00 12.00 C ATOM 96 C GLU A 7 -5.417 -12.665 -15.815 1.00 42.00 C ATOM 97 O GLU A 7 -5.843 -12.781 -14.669 1.00 42.00 O ATOM 98 CB GLU A 7 -5.168 -10.229 -16.342 1.00 21.00 C ATOM 99 CG GLU A 7 -5.784 -9.739 -15.060 1.00 15.00 C ATOM 100 CD GLU A 7 -6.452 -8.410 -15.186 1.00 54.00 C ATOM 101 OE1 GLU A 7 -7.497 -8.326 -15.817 1.00 52.00 O ATOM 102 OE2 GLU A 7 -5.943 -7.424 -14.618 1.00 32.00 O ATOM 0 H GLU A 7 -4.108 -11.359 -18.221 1.00 10.00 H new ATOM 0 HA GLU A 7 -3.700 -11.475 -15.385 1.00 12.00 H new ATOM 0 HB2 GLU A 7 -4.469 -9.479 -16.712 1.00 21.00 H new ATOM 0 HB3 GLU A 7 -5.948 -10.337 -17.095 1.00 21.00 H new ATOM 0 HG2 GLU A 7 -6.514 -10.471 -14.714 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -5.009 -9.676 -14.296 1.00 15.00 H new ATOM 109 N TYR A 8 -5.727 -13.492 -16.827 1.00 45.00 N ATOM 110 CA TYR A 8 -6.684 -14.576 -16.794 1.00 5.00 C ATOM 111 C TYR A 8 -8.055 -14.184 -16.243 1.00 40.00 C ATOM 112 O TYR A 8 -8.864 -15.034 -15.913 1.00 23.00 O ATOM 113 CB TYR A 8 -6.129 -15.886 -16.168 1.00 23.00 C ATOM 114 CG TYR A 8 -5.788 -15.873 -14.688 1.00 61.00 C ATOM 115 CD1 TYR A 8 -6.757 -16.155 -13.735 1.00 51.00 C ATOM 116 CD2 TYR A 8 -4.497 -15.599 -14.248 1.00 34.00 C ATOM 117 CE1 TYR A 8 -6.459 -16.159 -12.395 1.00 11.00 C ATOM 118 CE2 TYR A 8 -4.191 -15.604 -12.904 1.00 74.00 C ATOM 119 CZ TYR A 8 -5.178 -15.882 -11.983 1.00 42.00 C ATOM 120 OH TYR A 8 -4.877 -15.893 -10.643 1.00 11.00 O ATOM 0 H TYR A 8 -5.281 -13.404 -17.740 1.00 45.00 H new ATOM 0 HA TYR A 8 -6.857 -14.808 -17.845 1.00 5.00 H new ATOM 0 HB2 TYR A 8 -6.862 -16.675 -16.336 1.00 23.00 H new ATOM 0 HB3 TYR A 8 -5.229 -16.165 -16.717 1.00 23.00 H new ATOM 0 HD1 TYR A 8 -7.765 -16.376 -14.054 1.00 51.00 H new ATOM 0 HD2 TYR A 8 -3.724 -15.379 -14.969 1.00 34.00 H new ATOM 0 HE1 TYR A 8 -7.227 -16.379 -11.669 1.00 11.00 H new ATOM 0 HE2 TYR A 8 -3.185 -15.392 -12.575 1.00 74.00 H new ATOM 0 HH TYR A 8 -3.929 -15.678 -10.519 1.00 11.00 H new ATOM 130 N GLN A 9 -8.353 -12.917 -16.292 1.00 43.00 N ATOM 131 CA GLN A 9 -9.529 -12.393 -15.697 1.00 22.00 C ATOM 132 C GLN A 9 -10.158 -11.466 -16.634 1.00 52.00 C ATOM 133 O GLN A 9 -9.737 -10.335 -16.805 1.00 24.00 O ATOM 134 CB GLN A 9 -9.234 -11.720 -14.369 1.00 72.00 C ATOM 135 CG GLN A 9 -8.830 -12.700 -13.307 1.00 62.00 C ATOM 136 CD GLN A 9 -8.259 -12.038 -12.077 1.00 21.00 C ATOM 137 OE1 GLN A 9 -8.980 -11.697 -11.136 1.00 45.00 O ATOM 138 NE2 GLN A 9 -6.964 -11.850 -12.072 1.00 70.00 N ATOM 0 H GLN A 9 -7.772 -12.217 -16.755 1.00 43.00 H new ATOM 0 HA GLN A 9 -10.215 -13.213 -15.482 1.00 22.00 H new ATOM 0 HB2 GLN A 9 -8.438 -10.988 -14.505 1.00 72.00 H new ATOM 0 HB3 GLN A 9 -10.117 -11.173 -14.038 1.00 72.00 H new ATOM 0 HG2 GLN A 9 -9.697 -13.296 -13.022 1.00 62.00 H new ATOM 0 HG3 GLN A 9 -8.091 -13.388 -13.718 1.00 62.00 H new ATOM 0 HE21 GLN A 9 -6.403 -12.146 -12.870 1.00 70.00 H new ATOM 0 HE22 GLN A 9 -6.516 -11.407 -11.270 1.00 70.00 H new ATOM 147 N CYS A 10 -11.078 -11.975 -17.305 1.00 54.00 N ATOM 148 CA CYS A 10 -11.829 -11.241 -18.229 1.00 21.00 C ATOM 149 C CYS A 10 -13.251 -11.683 -18.012 1.00 75.00 C ATOM 150 O CYS A 10 -13.487 -12.867 -17.768 1.00 71.00 O ATOM 151 CB CYS A 10 -11.345 -11.513 -19.661 1.00 70.00 C ATOM 152 SG CYS A 10 -9.605 -11.099 -20.015 1.00 0.00 S ATOM 0 H CYS A 10 -11.351 -12.955 -17.233 1.00 54.00 H new ATOM 0 HA CYS A 10 -11.729 -10.164 -18.091 1.00 21.00 H new ATOM 0 HB2 CYS A 10 -11.497 -12.570 -19.879 1.00 70.00 H new ATOM 0 HB3 CYS A 10 -11.977 -10.952 -20.349 1.00 70.00 H new ATOM 157 N ASP A 11 -14.183 -10.762 -18.064 1.00 14.00 N ATOM 158 CA ASP A 11 -15.574 -11.039 -17.686 1.00 62.00 C ATOM 159 C ASP A 11 -16.223 -12.119 -18.553 1.00 75.00 C ATOM 160 O ASP A 11 -17.120 -12.823 -18.107 1.00 15.00 O ATOM 161 CB ASP A 11 -16.409 -9.758 -17.696 1.00 12.00 C ATOM 162 CG ASP A 11 -17.762 -9.952 -17.051 1.00 10.00 C ATOM 163 OD1 ASP A 11 -17.834 -9.966 -15.802 1.00 71.00 O ATOM 164 OD2 ASP A 11 -18.769 -10.100 -17.765 1.00 34.00 O ATOM 0 H ASP A 11 -14.015 -9.802 -18.365 1.00 14.00 H new ATOM 0 HA ASP A 11 -15.546 -11.431 -16.669 1.00 62.00 H new ATOM 0 HB2 ASP A 11 -15.868 -8.970 -17.172 1.00 12.00 H new ATOM 0 HB3 ASP A 11 -16.544 -9.422 -18.724 1.00 12.00 H new ATOM 169 N GLU A 12 -15.741 -12.271 -19.765 1.00 32.00 N ATOM 170 CA GLU A 12 -16.281 -13.260 -20.666 1.00 2.00 C ATOM 171 C GLU A 12 -15.604 -14.597 -20.485 1.00 22.00 C ATOM 172 O GLU A 12 -16.257 -15.635 -20.382 1.00 43.00 O ATOM 173 CB GLU A 12 -16.116 -12.817 -22.112 1.00 62.00 C ATOM 174 CG GLU A 12 -16.808 -11.529 -22.449 1.00 23.00 C ATOM 175 CD GLU A 12 -18.314 -11.622 -22.303 1.00 71.00 C ATOM 176 OE1 GLU A 12 -18.949 -12.424 -23.018 1.00 1.00 O ATOM 177 OE2 GLU A 12 -18.896 -10.895 -21.480 1.00 23.00 O ATOM 0 H GLU A 12 -14.974 -11.720 -20.150 1.00 32.00 H new ATOM 0 HA GLU A 12 -17.340 -13.364 -20.432 1.00 2.00 H new ATOM 0 HB2 GLU A 12 -15.053 -12.711 -22.328 1.00 62.00 H new ATOM 0 HB3 GLU A 12 -16.497 -13.602 -22.765 1.00 62.00 H new ATOM 0 HG2 GLU A 12 -16.432 -10.738 -21.800 1.00 23.00 H new ATOM 0 HG3 GLU A 12 -16.562 -11.246 -23.473 1.00 23.00 H new ATOM 184 N LYS A 13 -14.302 -14.578 -20.429 1.00 42.00 N ATOM 185 CA LYS A 13 -13.534 -15.804 -20.430 1.00 23.00 C ATOM 186 C LYS A 13 -12.367 -15.610 -19.532 1.00 24.00 C ATOM 187 O LYS A 13 -11.806 -14.519 -19.517 1.00 52.00 O ATOM 188 CB LYS A 13 -12.938 -16.048 -21.830 1.00 12.00 C ATOM 189 CG LYS A 13 -13.899 -15.895 -23.005 1.00 51.00 C ATOM 190 CD LYS A 13 -14.396 -17.234 -23.546 1.00 63.00 C ATOM 191 CE LYS A 13 -15.126 -18.070 -22.502 1.00 31.00 C ATOM 192 NZ LYS A 13 -15.573 -19.356 -23.068 1.00 41.00 N ATOM 0 H LYS A 13 -13.743 -13.726 -20.382 1.00 42.00 H new ATOM 0 HA LYS A 13 -14.179 -16.628 -20.125 1.00 23.00 H new ATOM 0 HB2 LYS A 13 -12.107 -15.357 -21.974 1.00 12.00 H new ATOM 0 HB3 LYS A 13 -12.523 -17.056 -21.855 1.00 12.00 H new ATOM 0 HG2 LYS A 13 -14.754 -15.295 -22.693 1.00 51.00 H new ATOM 0 HG3 LYS A 13 -13.401 -15.348 -23.806 1.00 51.00 H new ATOM 0 HD2 LYS A 13 -15.064 -17.053 -24.388 1.00 63.00 H new ATOM 0 HD3 LYS A 13 -13.547 -17.802 -23.928 1.00 63.00 H new ATOM 0 HE2 LYS A 13 -14.468 -18.252 -21.653 1.00 31.00 H new ATOM 0 HE3 LYS A 13 -15.986 -17.517 -22.125 1.00 31.00 H new ATOM 0 HZ1 LYS A 13 -15.818 -20.009 -22.296 1.00 41.00 H new ATOM 0 HZ2 LYS A 13 -16.408 -19.200 -23.667 1.00 41.00 H new ATOM 0 HZ3 LYS A 13 -14.809 -19.768 -23.640 1.00 41.00 H new ATOM 206 N PRO A 14 -11.984 -16.596 -18.751 1.00 51.00 N ATOM 207 CA PRO A 14 -10.740 -16.515 -18.053 1.00 14.00 C ATOM 208 C PRO A 14 -9.631 -16.719 -19.094 1.00 2.00 C ATOM 209 O PRO A 14 -9.579 -17.759 -19.759 1.00 64.00 O ATOM 210 CB PRO A 14 -10.779 -17.663 -17.033 1.00 3.00 C ATOM 211 CG PRO A 14 -12.173 -18.206 -17.097 1.00 55.00 C ATOM 212 CD PRO A 14 -12.713 -17.834 -18.449 1.00 11.00 C ATOM 0 HA PRO A 14 -10.565 -15.567 -17.544 1.00 14.00 H new ATOM 0 HB2 PRO A 14 -10.046 -18.432 -17.279 1.00 3.00 H new ATOM 0 HB3 PRO A 14 -10.542 -17.306 -16.031 1.00 3.00 H new ATOM 0 HG2 PRO A 14 -12.175 -19.288 -16.963 1.00 55.00 H new ATOM 0 HG3 PRO A 14 -12.790 -17.785 -16.303 1.00 55.00 H new ATOM 0 HD2 PRO A 14 -12.521 -18.610 -19.190 1.00 11.00 H new ATOM 0 HD3 PRO A 14 -13.791 -17.675 -18.426 1.00 11.00 H new ATOM 220 N LEU A 15 -8.753 -15.766 -19.231 1.00 3.00 N ATOM 221 CA LEU A 15 -7.852 -15.773 -20.322 1.00 54.00 C ATOM 222 C LEU A 15 -6.484 -16.066 -19.838 1.00 23.00 C ATOM 223 O LEU A 15 -5.639 -15.167 -19.633 1.00 21.00 O ATOM 224 CB LEU A 15 -7.912 -14.463 -21.111 1.00 51.00 C ATOM 225 CG LEU A 15 -6.993 -14.384 -22.325 1.00 12.00 C ATOM 226 CD1 LEU A 15 -7.296 -15.513 -23.301 1.00 0.00 C ATOM 227 CD2 LEU A 15 -7.109 -13.035 -23.009 1.00 33.00 C ATOM 0 H LEU A 15 -8.651 -14.977 -18.593 1.00 3.00 H new ATOM 0 HA LEU A 15 -8.147 -16.561 -21.015 1.00 54.00 H new ATOM 0 HB2 LEU A 15 -8.938 -14.306 -21.443 1.00 51.00 H new ATOM 0 HB3 LEU A 15 -7.666 -13.642 -20.437 1.00 51.00 H new ATOM 0 HG LEU A 15 -5.965 -14.496 -21.979 1.00 12.00 H new ATOM 0 HD11 LEU A 15 -6.630 -15.439 -24.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.145 -16.472 -22.806 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.330 -15.437 -23.636 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.443 -13.006 -23.871 1.00 33.00 H new ATOM 0 HD22 LEU A 15 -8.137 -12.881 -23.339 1.00 33.00 H new ATOM 0 HD23 LEU A 15 -6.831 -12.247 -22.309 1.00 33.00 H new ATOM 239 N THR A 16 -6.291 -17.285 -19.543 1.00 34.00 N ATOM 240 CA THR A 16 -5.054 -17.728 -19.070 1.00 2.00 C ATOM 241 C THR A 16 -4.212 -18.092 -20.276 1.00 44.00 C ATOM 242 O THR A 16 -4.386 -19.139 -20.888 1.00 62.00 O ATOM 243 CB THR A 16 -5.245 -18.938 -18.148 1.00 1.00 C ATOM 244 OG1 THR A 16 -6.486 -18.777 -17.424 1.00 30.00 O ATOM 245 CG2 THR A 16 -4.117 -19.008 -17.152 1.00 0.00 C ATOM 0 H THR A 16 -7.000 -18.014 -19.625 1.00 34.00 H new ATOM 0 HA THR A 16 -4.558 -16.951 -18.488 1.00 2.00 H new ATOM 0 HB THR A 16 -5.261 -19.849 -18.746 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.621 -19.546 -16.831 1.00 30.00 H new ATOM 0 HG21 THR A 16 -4.260 -19.870 -16.501 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.169 -19.106 -17.682 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.104 -18.098 -16.552 1.00 0.00 H new ATOM 253 N VAL A 17 -3.367 -17.194 -20.641 1.00 10.00 N ATOM 254 CA VAL A 17 -2.545 -17.351 -21.798 1.00 2.00 C ATOM 255 C VAL A 17 -1.278 -17.982 -21.379 1.00 0.00 C ATOM 256 O VAL A 17 -0.685 -17.550 -20.417 1.00 42.00 O ATOM 257 CB VAL A 17 -2.221 -15.982 -22.416 1.00 51.00 C ATOM 258 CG1 VAL A 17 -1.280 -16.113 -23.592 1.00 42.00 C ATOM 259 CG2 VAL A 17 -3.494 -15.287 -22.847 1.00 61.00 C ATOM 0 H VAL A 17 -3.222 -16.317 -20.141 1.00 10.00 H new ATOM 0 HA VAL A 17 -3.070 -17.961 -22.534 1.00 2.00 H new ATOM 0 HB VAL A 17 -1.724 -15.383 -21.653 1.00 51.00 H new ATOM 0 HG11 VAL A 17 -1.073 -15.125 -24.004 1.00 42.00 H new ATOM 0 HG12 VAL A 17 -0.348 -16.572 -23.263 1.00 42.00 H new ATOM 0 HG13 VAL A 17 -1.740 -16.737 -24.358 1.00 42.00 H new ATOM 0 HG21 VAL A 17 -3.250 -14.318 -23.283 1.00 61.00 H new ATOM 0 HG22 VAL A 17 -4.010 -15.899 -23.587 1.00 61.00 H new ATOM 0 HG23 VAL A 17 -4.141 -15.143 -21.982 1.00 61.00 H new ATOM 269 N LYS A 18 -0.869 -18.991 -22.059 1.00 62.00 N ATOM 270 CA LYS A 18 0.362 -19.584 -21.751 1.00 21.00 C ATOM 271 C LYS A 18 1.365 -19.095 -22.725 1.00 61.00 C ATOM 272 O LYS A 18 1.525 -19.660 -23.800 1.00 55.00 O ATOM 273 CB LYS A 18 0.314 -21.126 -21.689 1.00 62.00 C ATOM 274 CG LYS A 18 -0.332 -21.711 -20.426 1.00 53.00 C ATOM 275 CD LYS A 18 -1.819 -21.448 -20.371 1.00 0.00 C ATOM 276 CE LYS A 18 -2.469 -22.013 -19.118 1.00 42.00 C ATOM 277 NZ LYS A 18 -2.237 -23.468 -18.956 1.00 53.00 N ATOM 0 H LYS A 18 -1.377 -19.418 -22.833 1.00 62.00 H new ATOM 0 HA LYS A 18 0.643 -19.288 -20.740 1.00 21.00 H new ATOM 0 HB2 LYS A 18 -0.232 -21.491 -22.559 1.00 62.00 H new ATOM 0 HB3 LYS A 18 1.332 -21.508 -21.767 1.00 62.00 H new ATOM 0 HG2 LYS A 18 -0.153 -22.786 -20.393 1.00 53.00 H new ATOM 0 HG3 LYS A 18 0.144 -21.282 -19.544 1.00 53.00 H new ATOM 0 HD2 LYS A 18 -1.996 -20.373 -20.414 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.294 -21.884 -21.250 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.081 -21.489 -18.245 1.00 42.00 H new ATOM 0 HE3 LYS A 18 -3.542 -21.823 -19.153 1.00 42.00 H new ATOM 0 HZ1 LYS A 18 -2.836 -23.832 -18.188 1.00 53.00 H new ATOM 0 HZ2 LYS A 18 -2.475 -23.958 -19.842 1.00 53.00 H new ATOM 0 HZ3 LYS A 18 -1.237 -23.636 -18.725 1.00 53.00 H new ATOM 291 N LEU A 19 1.954 -17.983 -22.380 1.00 23.00 N ATOM 292 CA LEU A 19 2.988 -17.366 -23.145 1.00 24.00 C ATOM 293 C LEU A 19 4.212 -18.192 -23.046 1.00 51.00 C ATOM 294 O LEU A 19 4.986 -18.114 -22.074 1.00 62.00 O ATOM 295 CB LEU A 19 3.258 -15.942 -22.672 1.00 62.00 C ATOM 296 CG LEU A 19 2.539 -14.815 -23.399 1.00 63.00 C ATOM 297 CD1 LEU A 19 2.656 -13.535 -22.600 1.00 10.00 C ATOM 298 CD2 LEU A 19 3.178 -14.606 -24.761 1.00 4.00 C ATOM 0 H LEU A 19 1.716 -17.470 -21.531 1.00 23.00 H new ATOM 0 HA LEU A 19 2.670 -17.301 -24.186 1.00 24.00 H new ATOM 0 HB2 LEU A 19 2.996 -15.883 -21.616 1.00 62.00 H new ATOM 0 HB3 LEU A 19 4.330 -15.760 -22.745 1.00 62.00 H new ATOM 0 HG LEU A 19 1.488 -15.078 -23.517 1.00 63.00 H new ATOM 0 HD11 LEU A 19 2.140 -12.731 -23.124 1.00 10.00 H new ATOM 0 HD12 LEU A 19 2.205 -13.677 -21.618 1.00 10.00 H new ATOM 0 HD13 LEU A 19 3.708 -13.275 -22.482 1.00 10.00 H new ATOM 0 HD21 LEU A 19 2.665 -13.799 -25.284 1.00 4.00 H new ATOM 0 HD22 LEU A 19 4.229 -14.345 -24.634 1.00 4.00 H new ATOM 0 HD23 LEU A 19 3.100 -15.524 -25.344 1.00 4.00 H new ATOM 310 N ASN A 20 4.331 -19.059 -23.975 1.00 64.00 N ATOM 311 CA ASN A 20 5.470 -19.919 -24.053 1.00 72.00 C ATOM 312 C ASN A 20 6.598 -19.110 -24.656 1.00 32.00 C ATOM 313 O ASN A 20 6.774 -19.064 -25.861 1.00 31.00 O ATOM 314 CB ASN A 20 5.159 -21.187 -24.864 1.00 63.00 C ATOM 315 CG ASN A 20 6.242 -22.250 -24.763 1.00 23.00 C ATOM 316 OD1 ASN A 20 7.424 -21.955 -24.580 1.00 43.00 O ATOM 317 ND2 ASN A 20 5.851 -23.490 -24.880 1.00 61.00 N ATOM 0 H ASN A 20 3.642 -19.202 -24.714 1.00 64.00 H new ATOM 0 HA ASN A 20 5.758 -20.273 -23.063 1.00 72.00 H new ATOM 0 HB2 ASN A 20 4.214 -21.607 -24.519 1.00 63.00 H new ATOM 0 HB3 ASN A 20 5.023 -20.915 -25.911 1.00 63.00 H new ATOM 0 HD21 ASN A 20 6.532 -24.247 -24.820 1.00 61.00 H new ATOM 0 HD22 ASN A 20 4.865 -23.702 -25.031 1.00 61.00 H new ATOM 324 N ASN A 21 7.293 -18.428 -23.775 1.00 24.00 N ATOM 325 CA ASN A 21 8.335 -17.431 -24.073 1.00 25.00 C ATOM 326 C ASN A 21 9.314 -17.828 -25.210 1.00 12.00 C ATOM 327 O ASN A 21 9.391 -17.105 -26.205 1.00 21.00 O ATOM 328 CB ASN A 21 9.065 -17.041 -22.758 1.00 53.00 C ATOM 329 CG ASN A 21 10.041 -15.861 -22.853 1.00 14.00 C ATOM 330 OD1 ASN A 21 10.679 -15.609 -23.878 1.00 24.00 O ATOM 331 ND2 ASN A 21 10.172 -15.146 -21.770 1.00 5.00 N ATOM 0 H ASN A 21 7.150 -18.549 -22.772 1.00 24.00 H new ATOM 0 HA ASN A 21 7.830 -16.555 -24.479 1.00 25.00 H new ATOM 0 HB2 ASN A 21 8.313 -16.805 -22.005 1.00 53.00 H new ATOM 0 HB3 ASN A 21 9.613 -17.912 -22.399 1.00 53.00 H new ATOM 0 HD21 ASN A 21 10.815 -14.355 -21.756 1.00 5.00 H new ATOM 0 HD22 ASN A 21 9.631 -15.378 -20.937 1.00 5.00 H new ATOM 338 N PRO A 22 10.034 -18.988 -25.150 1.00 52.00 N ATOM 339 CA PRO A 22 11.003 -19.345 -26.201 1.00 73.00 C ATOM 340 C PRO A 22 10.316 -19.719 -27.520 1.00 24.00 C ATOM 341 O PRO A 22 10.924 -19.677 -28.593 1.00 71.00 O ATOM 342 CB PRO A 22 11.741 -20.571 -25.625 1.00 22.00 C ATOM 343 CG PRO A 22 11.363 -20.622 -24.186 1.00 52.00 C ATOM 344 CD PRO A 22 9.996 -20.033 -24.104 1.00 1.00 C ATOM 0 HA PRO A 22 11.661 -18.509 -26.439 1.00 73.00 H new ATOM 0 HB2 PRO A 22 11.446 -21.485 -26.141 1.00 22.00 H new ATOM 0 HB3 PRO A 22 12.820 -20.472 -25.744 1.00 22.00 H new ATOM 0 HG2 PRO A 22 11.370 -21.647 -23.816 1.00 52.00 H new ATOM 0 HG3 PRO A 22 12.069 -20.058 -23.576 1.00 52.00 H new ATOM 0 HD2 PRO A 22 9.222 -20.775 -24.300 1.00 1.00 H new ATOM 0 HD3 PRO A 22 9.793 -19.614 -23.119 1.00 1.00 H new ATOM 352 N ARG A 23 9.049 -20.051 -27.432 1.00 23.00 N ATOM 353 CA ARG A 23 8.272 -20.492 -28.590 1.00 3.00 C ATOM 354 C ARG A 23 7.525 -19.334 -29.224 1.00 5.00 C ATOM 355 O ARG A 23 7.234 -19.359 -30.409 1.00 2.00 O ATOM 356 CB ARG A 23 7.272 -21.564 -28.156 1.00 14.00 C ATOM 357 CG ARG A 23 7.908 -22.861 -27.689 1.00 73.00 C ATOM 358 CD ARG A 23 8.296 -23.752 -28.843 1.00 33.00 C ATOM 359 NE ARG A 23 7.113 -24.324 -29.501 1.00 53.00 N ATOM 360 CZ ARG A 23 7.106 -25.449 -30.212 1.00 22.00 C ATOM 361 NH1 ARG A 23 8.244 -26.028 -30.553 1.00 50.00 N ATOM 362 NH2 ARG A 23 5.958 -25.960 -30.621 1.00 13.00 N ATOM 0 H ARG A 23 8.519 -20.026 -26.561 1.00 23.00 H new ATOM 0 HA ARG A 23 8.962 -20.900 -29.328 1.00 3.00 H new ATOM 0 HB2 ARG A 23 6.656 -21.165 -27.350 1.00 14.00 H new ATOM 0 HB3 ARG A 23 6.605 -21.780 -28.990 1.00 14.00 H new ATOM 0 HG2 ARG A 23 8.792 -22.636 -27.092 1.00 73.00 H new ATOM 0 HG3 ARG A 23 7.212 -23.392 -27.040 1.00 73.00 H new ATOM 0 HD2 ARG A 23 8.876 -23.180 -29.567 1.00 33.00 H new ATOM 0 HD3 ARG A 23 8.939 -24.556 -28.484 1.00 33.00 H new ATOM 0 HE ARG A 23 6.231 -23.821 -29.406 1.00 53.00 H new ATOM 0 HH11 ARG A 23 9.132 -25.613 -30.271 1.00 50.00 H new ATOM 0 HH12 ARG A 23 8.234 -26.890 -31.098 1.00 50.00 H new ATOM 0 HH21 ARG A 23 5.081 -25.492 -30.392 1.00 13.00 H new ATOM 0 HH22 ARG A 23 5.949 -26.822 -31.166 1.00 13.00 H new ATOM 376 N GLN A 24 7.238 -18.319 -28.409 1.00 22.00 N ATOM 377 CA GLN A 24 6.423 -17.167 -28.762 1.00 10.00 C ATOM 378 C GLN A 24 5.022 -17.581 -29.164 1.00 5.00 C ATOM 379 O GLN A 24 4.330 -16.883 -29.909 1.00 53.00 O ATOM 380 CB GLN A 24 7.073 -16.294 -29.812 1.00 73.00 C ATOM 381 CG GLN A 24 8.292 -15.549 -29.321 1.00 3.00 C ATOM 382 CD GLN A 24 8.682 -14.436 -30.253 1.00 11.00 C ATOM 383 OE1 GLN A 24 9.458 -14.623 -31.185 1.00 21.00 O ATOM 384 NE2 GLN A 24 8.147 -13.273 -30.014 1.00 14.00 N ATOM 0 H GLN A 24 7.582 -18.280 -27.450 1.00 22.00 H new ATOM 0 HA GLN A 24 6.341 -16.555 -27.863 1.00 10.00 H new ATOM 0 HB2 GLN A 24 7.357 -16.915 -30.662 1.00 73.00 H new ATOM 0 HB3 GLN A 24 6.341 -15.573 -30.175 1.00 73.00 H new ATOM 0 HG2 GLN A 24 8.093 -15.140 -28.330 1.00 3.00 H new ATOM 0 HG3 GLN A 24 9.125 -16.244 -29.217 1.00 3.00 H new ATOM 0 HE21 GLN A 24 7.506 -13.158 -29.229 1.00 14.00 H new ATOM 0 HE22 GLN A 24 8.369 -12.477 -30.612 1.00 14.00 H new ATOM 393 N GLU A 25 4.594 -18.696 -28.637 1.00 55.00 N ATOM 394 CA GLU A 25 3.280 -19.164 -28.882 1.00 34.00 C ATOM 395 C GLU A 25 2.533 -19.126 -27.576 1.00 34.00 C ATOM 396 O GLU A 25 3.143 -19.087 -26.500 1.00 4.00 O ATOM 397 CB GLU A 25 3.274 -20.579 -29.475 1.00 4.00 C ATOM 398 CG GLU A 25 3.626 -21.670 -28.496 1.00 41.00 C ATOM 399 CD GLU A 25 3.688 -23.019 -29.142 1.00 21.00 C ATOM 400 OE1 GLU A 25 4.629 -23.276 -29.935 1.00 33.00 O ATOM 401 OE2 GLU A 25 2.816 -23.856 -28.872 1.00 31.00 O ATOM 0 H GLU A 25 5.153 -19.295 -28.030 1.00 55.00 H new ATOM 0 HA GLU A 25 2.797 -18.524 -29.621 1.00 34.00 H new ATOM 0 HB2 GLU A 25 2.285 -20.783 -29.886 1.00 4.00 H new ATOM 0 HB3 GLU A 25 3.978 -20.614 -30.306 1.00 4.00 H new ATOM 0 HG2 GLU A 25 4.589 -21.446 -28.037 1.00 41.00 H new ATOM 0 HG3 GLU A 25 2.887 -21.688 -27.695 1.00 41.00 H new ATOM 408 N VAL A 26 1.258 -19.112 -27.658 1.00 34.00 N ATOM 409 CA VAL A 26 0.421 -19.041 -26.511 1.00 40.00 C ATOM 410 C VAL A 26 -0.606 -20.109 -26.554 1.00 60.00 C ATOM 411 O VAL A 26 -1.180 -20.366 -27.588 1.00 0.00 O ATOM 412 CB VAL A 26 -0.282 -17.662 -26.410 1.00 23.00 C ATOM 413 CG1 VAL A 26 0.728 -16.556 -26.283 1.00 74.00 C ATOM 414 CG2 VAL A 26 -1.214 -17.380 -27.581 1.00 4.00 C ATOM 0 H VAL A 26 0.750 -19.150 -28.541 1.00 34.00 H new ATOM 0 HA VAL A 26 1.055 -19.176 -25.635 1.00 40.00 H new ATOM 0 HB VAL A 26 -0.897 -17.700 -25.511 1.00 23.00 H new ATOM 0 HG11 VAL A 26 0.212 -15.598 -26.214 1.00 74.00 H new ATOM 0 HG12 VAL A 26 1.327 -16.711 -25.386 1.00 74.00 H new ATOM 0 HG13 VAL A 26 1.379 -16.555 -27.158 1.00 74.00 H new ATOM 0 HG21 VAL A 26 -1.675 -16.401 -27.451 1.00 4.00 H new ATOM 0 HG22 VAL A 26 -0.645 -17.393 -28.510 1.00 4.00 H new ATOM 0 HG23 VAL A 26 -1.990 -18.144 -27.620 1.00 4.00 H new ATOM 424 N SER A 27 -0.785 -20.773 -25.473 1.00 62.00 N ATOM 425 CA SER A 27 -1.879 -21.664 -25.362 1.00 71.00 C ATOM 426 C SER A 27 -2.887 -21.001 -24.484 1.00 72.00 C ATOM 427 O SER A 27 -2.601 -20.693 -23.340 1.00 53.00 O ATOM 428 CB SER A 27 -1.472 -23.031 -24.825 1.00 2.00 C ATOM 429 OG SER A 27 -0.630 -23.730 -25.752 1.00 44.00 O ATOM 0 H SER A 27 -0.186 -20.716 -24.649 1.00 62.00 H new ATOM 0 HA SER A 27 -2.296 -21.866 -26.349 1.00 71.00 H new ATOM 0 HB2 SER A 27 -0.949 -22.910 -23.877 1.00 2.00 H new ATOM 0 HB3 SER A 27 -2.364 -23.624 -24.623 1.00 2.00 H new ATOM 0 HG SER A 27 -0.385 -24.602 -25.378 1.00 44.00 H new ATOM 435 N PHE A 28 -4.012 -20.700 -25.022 1.00 1.00 N ATOM 436 CA PHE A 28 -5.006 -20.011 -24.257 1.00 34.00 C ATOM 437 C PHE A 28 -6.187 -20.906 -24.036 1.00 20.00 C ATOM 438 O PHE A 28 -6.271 -21.999 -24.601 1.00 5.00 O ATOM 439 CB PHE A 28 -5.427 -18.668 -24.899 1.00 43.00 C ATOM 440 CG PHE A 28 -6.555 -18.726 -25.918 1.00 43.00 C ATOM 441 CD1 PHE A 28 -6.366 -19.249 -27.170 1.00 14.00 C ATOM 442 CD2 PHE A 28 -7.807 -18.207 -25.604 1.00 74.00 C ATOM 443 CE1 PHE A 28 -7.397 -19.261 -28.097 1.00 0.00 C ATOM 444 CE2 PHE A 28 -8.838 -18.222 -26.518 1.00 72.00 C ATOM 445 CZ PHE A 28 -8.632 -18.748 -27.767 1.00 1.00 C ATOM 0 H PHE A 28 -4.275 -20.915 -25.984 1.00 1.00 H new ATOM 0 HA PHE A 28 -4.566 -19.758 -23.292 1.00 34.00 H new ATOM 0 HB2 PHE A 28 -5.723 -17.987 -24.101 1.00 43.00 H new ATOM 0 HB3 PHE A 28 -4.553 -18.232 -25.383 1.00 43.00 H new ATOM 0 HD1 PHE A 28 -5.403 -19.657 -27.438 1.00 14.00 H new ATOM 0 HD2 PHE A 28 -7.974 -17.784 -24.624 1.00 74.00 H new ATOM 0 HE1 PHE A 28 -7.231 -19.674 -29.081 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.805 -17.821 -26.251 1.00 72.00 H new ATOM 0 HZ PHE A 28 -9.435 -18.760 -28.489 1.00 1.00 H new ATOM 455 N VAL A 29 -7.092 -20.429 -23.275 1.00 11.00 N ATOM 456 CA VAL A 29 -8.234 -21.173 -22.873 1.00 72.00 C ATOM 457 C VAL A 29 -9.440 -20.639 -23.621 1.00 72.00 C ATOM 458 O VAL A 29 -9.853 -19.508 -23.395 1.00 33.00 O ATOM 459 CB VAL A 29 -8.530 -20.996 -21.359 1.00 42.00 C ATOM 460 CG1 VAL A 29 -9.297 -22.166 -20.780 1.00 73.00 C ATOM 461 CG2 VAL A 29 -7.304 -20.635 -20.533 1.00 15.00 C ATOM 0 H VAL A 29 -7.065 -19.481 -22.899 1.00 11.00 H new ATOM 0 HA VAL A 29 -8.040 -22.225 -23.084 1.00 72.00 H new ATOM 0 HB VAL A 29 -9.185 -20.127 -21.292 1.00 42.00 H new ATOM 0 HG11 VAL A 29 -9.478 -21.993 -19.719 1.00 73.00 H new ATOM 0 HG12 VAL A 29 -10.250 -22.269 -21.299 1.00 73.00 H new ATOM 0 HG13 VAL A 29 -8.716 -23.080 -20.904 1.00 73.00 H new ATOM 0 HG21 VAL A 29 -7.589 -20.528 -19.486 1.00 15.00 H new ATOM 0 HG22 VAL A 29 -6.557 -21.423 -20.627 1.00 15.00 H new ATOM 0 HG23 VAL A 29 -6.886 -19.695 -20.893 1.00 15.00 H new ATOM 471 N TYR A 30 -9.967 -21.420 -24.530 1.00 54.00 N ATOM 472 CA TYR A 30 -11.222 -21.050 -25.212 1.00 33.00 C ATOM 473 C TYR A 30 -12.338 -21.057 -24.202 1.00 12.00 C ATOM 474 O TYR A 30 -13.200 -20.180 -24.186 1.00 5.00 O ATOM 475 CB TYR A 30 -11.551 -22.018 -26.368 1.00 4.00 C ATOM 476 CG TYR A 30 -12.949 -21.849 -26.934 1.00 11.00 C ATOM 477 CD1 TYR A 30 -13.322 -20.692 -27.598 1.00 32.00 C ATOM 478 CD2 TYR A 30 -13.903 -22.840 -26.766 1.00 40.00 C ATOM 479 CE1 TYR A 30 -14.607 -20.534 -28.085 1.00 25.00 C ATOM 480 CE2 TYR A 30 -15.183 -22.685 -27.247 1.00 31.00 C ATOM 481 CZ TYR A 30 -15.529 -21.531 -27.908 1.00 35.00 C ATOM 482 OH TYR A 30 -16.816 -21.371 -28.384 1.00 21.00 O ATOM 0 H TYR A 30 -9.566 -22.310 -24.826 1.00 54.00 H new ATOM 0 HA TYR A 30 -11.105 -20.056 -25.644 1.00 33.00 H new ATOM 0 HB2 TYR A 30 -10.826 -21.872 -27.168 1.00 4.00 H new ATOM 0 HB3 TYR A 30 -11.434 -23.043 -26.015 1.00 4.00 H new ATOM 0 HD1 TYR A 30 -12.599 -19.902 -27.737 1.00 32.00 H new ATOM 0 HD2 TYR A 30 -13.637 -23.750 -26.249 1.00 40.00 H new ATOM 0 HE1 TYR A 30 -14.882 -19.627 -28.603 1.00 25.00 H new ATOM 0 HE2 TYR A 30 -15.913 -23.468 -27.105 1.00 31.00 H new ATOM 0 HH TYR A 30 -17.343 -22.171 -28.177 1.00 21.00 H new ATOM 492 N ASP A 31 -12.312 -22.048 -23.357 1.00 13.00 N ATOM 493 CA ASP A 31 -13.286 -22.175 -22.313 1.00 43.00 C ATOM 494 C ASP A 31 -12.774 -23.135 -21.288 1.00 43.00 C ATOM 495 O ASP A 31 -12.579 -22.776 -20.144 1.00 22.00 O ATOM 496 CB ASP A 31 -14.632 -22.634 -22.854 1.00 34.00 C ATOM 497 CG ASP A 31 -15.699 -22.603 -21.793 1.00 53.00 C ATOM 498 OD1 ASP A 31 -16.191 -21.510 -21.489 1.00 54.00 O ATOM 499 OD2 ASP A 31 -16.070 -23.672 -21.259 1.00 75.00 O ATOM 0 H ASP A 31 -11.614 -22.791 -23.373 1.00 13.00 H new ATOM 0 HA ASP A 31 -13.443 -21.197 -21.858 1.00 43.00 H new ATOM 0 HB2 ASP A 31 -14.927 -21.994 -23.686 1.00 34.00 H new ATOM 0 HB3 ASP A 31 -14.540 -23.646 -23.248 1.00 34.00 H new ATOM 504 N ASN A 32 -12.521 -24.349 -21.715 1.00 1.00 N ATOM 505 CA ASN A 32 -11.939 -25.359 -20.843 1.00 63.00 C ATOM 506 C ASN A 32 -11.056 -26.256 -21.695 1.00 41.00 C ATOM 507 O ASN A 32 -10.996 -27.466 -21.536 1.00 75.00 O ATOM 508 CB ASN A 32 -13.037 -26.170 -20.143 1.00 74.00 C ATOM 509 CG ASN A 32 -12.501 -27.123 -19.074 1.00 0.00 C ATOM 510 OD1 ASN A 32 -11.488 -26.856 -18.417 1.00 62.00 O ATOM 511 ND2 ASN A 32 -13.149 -28.238 -18.918 1.00 32.00 N ATOM 0 H ASN A 32 -12.708 -24.669 -22.665 1.00 1.00 H new ATOM 0 HA ASN A 32 -11.345 -24.886 -20.061 1.00 63.00 H new ATOM 0 HB2 ASN A 32 -13.748 -25.484 -19.683 1.00 74.00 H new ATOM 0 HB3 ASN A 32 -13.585 -26.745 -20.889 1.00 74.00 H new ATOM 0 HD21 ASN A 32 -12.825 -28.925 -18.237 1.00 32.00 H new ATOM 0 HD22 ASN A 32 -13.981 -28.427 -19.477 1.00 32.00 H new ATOM 518 N GLN A 33 -10.350 -25.636 -22.592 1.00 21.00 N ATOM 519 CA GLN A 33 -9.463 -26.312 -23.474 1.00 3.00 C ATOM 520 C GLN A 33 -8.394 -25.342 -23.771 1.00 22.00 C ATOM 521 O GLN A 33 -8.633 -24.119 -23.715 1.00 33.00 O ATOM 522 CB GLN A 33 -10.146 -26.752 -24.774 1.00 54.00 C ATOM 523 CG GLN A 33 -10.591 -25.601 -25.638 1.00 33.00 C ATOM 524 CD GLN A 33 -11.067 -26.031 -26.999 1.00 73.00 C ATOM 525 OE1 GLN A 33 -10.286 -26.102 -27.944 1.00 75.00 O ATOM 526 NE2 GLN A 33 -12.330 -26.319 -27.116 1.00 62.00 N ATOM 0 H GLN A 33 -10.379 -24.626 -22.729 1.00 21.00 H new ATOM 0 HA GLN A 33 -9.092 -27.226 -23.011 1.00 3.00 H new ATOM 0 HB2 GLN A 33 -9.458 -27.378 -25.343 1.00 54.00 H new ATOM 0 HB3 GLN A 33 -11.011 -27.369 -24.530 1.00 54.00 H new ATOM 0 HG2 GLN A 33 -11.394 -25.065 -25.132 1.00 33.00 H new ATOM 0 HG3 GLN A 33 -9.764 -24.901 -25.754 1.00 33.00 H new ATOM 0 HE21 GLN A 33 -12.947 -26.247 -26.307 1.00 62.00 H new ATOM 0 HE22 GLN A 33 -12.704 -26.616 -28.017 1.00 62.00 H new ATOM 535 N LEU A 34 -7.263 -25.833 -24.067 1.00 74.00 N ATOM 536 CA LEU A 34 -6.154 -25.007 -24.310 1.00 4.00 C ATOM 537 C LEU A 34 -5.729 -25.156 -25.743 1.00 50.00 C ATOM 538 O LEU A 34 -5.365 -26.243 -26.192 1.00 5.00 O ATOM 539 CB LEU A 34 -4.978 -25.307 -23.372 1.00 43.00 C ATOM 540 CG LEU A 34 -5.124 -24.984 -21.857 1.00 61.00 C ATOM 541 CD1 LEU A 34 -5.515 -23.534 -21.611 1.00 4.00 C ATOM 542 CD2 LEU A 34 -6.075 -25.939 -21.152 1.00 1.00 C ATOM 0 H LEU A 34 -7.075 -26.832 -24.149 1.00 74.00 H new ATOM 0 HA LEU A 34 -6.456 -23.979 -24.113 1.00 4.00 H new ATOM 0 HB2 LEU A 34 -4.747 -26.368 -23.462 1.00 43.00 H new ATOM 0 HB3 LEU A 34 -4.112 -24.760 -23.744 1.00 43.00 H new ATOM 0 HG LEU A 34 -4.136 -25.131 -21.420 1.00 61.00 H new ATOM 0 HD11 LEU A 34 -5.604 -23.358 -20.539 1.00 4.00 H new ATOM 0 HD12 LEU A 34 -4.751 -22.876 -22.024 1.00 4.00 H new ATOM 0 HD13 LEU A 34 -6.470 -23.328 -22.093 1.00 4.00 H new ATOM 0 HD21 LEU A 34 -6.143 -25.672 -20.097 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -7.063 -25.871 -21.608 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -5.702 -26.959 -21.245 1.00 1.00 H new ATOM 554 N LEU A 35 -5.771 -24.088 -26.440 1.00 2.00 N ATOM 555 CA LEU A 35 -5.424 -24.065 -27.845 1.00 1.00 C ATOM 556 C LEU A 35 -4.369 -23.019 -28.071 1.00 71.00 C ATOM 557 O LEU A 35 -4.306 -22.048 -27.332 1.00 41.00 O ATOM 558 CB LEU A 35 -6.650 -23.875 -28.773 1.00 2.00 C ATOM 559 CG LEU A 35 -7.497 -22.602 -28.627 1.00 64.00 C ATOM 560 CD1 LEU A 35 -8.468 -22.516 -29.771 1.00 60.00 C ATOM 561 CD2 LEU A 35 -8.279 -22.590 -27.329 1.00 0.00 C ATOM 0 H LEU A 35 -6.049 -23.181 -26.065 1.00 2.00 H new ATOM 0 HA LEU A 35 -5.023 -25.042 -28.114 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -6.295 -23.919 -29.803 1.00 2.00 H new ATOM 0 HB3 LEU A 35 -7.310 -24.730 -28.627 1.00 2.00 H new ATOM 0 HG LEU A 35 -6.816 -21.751 -28.627 1.00 64.00 H new ATOM 0 HD11 LEU A 35 -9.070 -21.613 -29.670 1.00 60.00 H new ATOM 0 HD12 LEU A 35 -7.919 -22.482 -30.712 1.00 60.00 H new ATOM 0 HD13 LEU A 35 -9.119 -23.390 -29.762 1.00 60.00 H new ATOM 0 HD21 LEU A 35 -8.864 -21.673 -27.265 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.948 -23.450 -27.299 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.588 -22.638 -26.487 1.00 0.00 H new ATOM 573 N HIS A 36 -3.565 -23.199 -29.074 1.00 42.00 N ATOM 574 CA HIS A 36 -2.388 -22.406 -29.230 1.00 43.00 C ATOM 575 C HIS A 36 -2.464 -21.442 -30.404 1.00 14.00 C ATOM 576 O HIS A 36 -3.237 -21.632 -31.348 1.00 1.00 O ATOM 577 CB HIS A 36 -1.171 -23.326 -29.377 1.00 55.00 C ATOM 578 CG HIS A 36 -1.147 -24.088 -30.690 1.00 73.00 C ATOM 579 ND1 HIS A 36 -1.920 -25.218 -30.892 1.00 62.00 N ATOM 580 CD2 HIS A 36 -0.531 -23.762 -31.848 1.00 0.00 C ATOM 581 CE1 HIS A 36 -1.757 -25.526 -32.178 1.00 23.00 C ATOM 582 NE2 HIS A 36 -0.930 -24.672 -32.791 1.00 54.00 N ATOM 0 H HIS A 36 -3.707 -23.897 -29.804 1.00 42.00 H new ATOM 0 HA HIS A 36 -2.293 -21.791 -28.335 1.00 43.00 H new ATOM 0 HB2 HIS A 36 -0.262 -22.730 -29.295 1.00 55.00 H new ATOM 0 HB3 HIS A 36 -1.161 -24.038 -28.552 1.00 55.00 H new ATOM 0 HD2 HIS A 36 0.149 -22.937 -32.001 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.234 -26.363 -32.666 1.00 23.00 H new ATOM 0 HE2 HIS A 36 -0.650 -24.694 -33.772 1.00 54.00 H new ATOM 590 N LEU A 37 -1.667 -20.410 -30.302 1.00 24.00 N ATOM 591 CA LEU A 37 -1.480 -19.407 -31.354 1.00 52.00 C ATOM 592 C LEU A 37 -0.077 -18.955 -31.316 1.00 23.00 C ATOM 593 O LEU A 37 0.543 -19.002 -30.272 1.00 72.00 O ATOM 594 CB LEU A 37 -2.367 -18.178 -31.185 1.00 21.00 C ATOM 595 CG LEU A 37 -3.850 -18.446 -30.992 1.00 34.00 C ATOM 596 CD1 LEU A 37 -4.186 -18.660 -29.541 1.00 64.00 C ATOM 597 CD2 LEU A 37 -4.703 -17.384 -31.596 1.00 4.00 C ATOM 0 H LEU A 37 -1.109 -20.226 -29.468 1.00 24.00 H new ATOM 0 HA LEU A 37 -1.748 -19.880 -32.299 1.00 52.00 H new ATOM 0 HB2 LEU A 37 -2.006 -17.610 -30.327 1.00 21.00 H new ATOM 0 HB3 LEU A 37 -2.244 -17.543 -32.062 1.00 21.00 H new ATOM 0 HG LEU A 37 -4.073 -19.370 -31.526 1.00 34.00 H new ATOM 0 HD11 LEU A 37 -5.255 -18.849 -29.439 1.00 64.00 H new ATOM 0 HD12 LEU A 37 -3.628 -19.516 -29.161 1.00 64.00 H new ATOM 0 HD13 LEU A 37 -3.919 -17.770 -28.971 1.00 64.00 H new ATOM 0 HD21 LEU A 37 -5.753 -17.623 -31.430 1.00 4.00 H new ATOM 0 HD22 LEU A 37 -4.472 -16.425 -31.133 1.00 4.00 H new ATOM 0 HD23 LEU A 37 -4.509 -17.326 -32.667 1.00 4.00 H new ATOM 609 N LYS A 38 0.429 -18.504 -32.416 1.00 25.00 N ATOM 610 CA LYS A 38 1.796 -18.060 -32.454 1.00 32.00 C ATOM 611 C LYS A 38 1.868 -16.569 -32.682 1.00 55.00 C ATOM 612 O LYS A 38 1.027 -16.003 -33.376 1.00 4.00 O ATOM 613 CB LYS A 38 2.571 -18.766 -33.544 1.00 64.00 C ATOM 614 CG LYS A 38 2.108 -18.432 -34.953 1.00 42.00 C ATOM 615 CD LYS A 38 3.184 -18.717 -35.964 1.00 64.00 C ATOM 616 CE LYS A 38 2.714 -18.349 -37.369 1.00 20.00 C ATOM 617 NZ LYS A 38 3.745 -18.591 -38.395 1.00 73.00 N ATOM 0 H LYS A 38 -0.075 -18.431 -33.300 1.00 25.00 H new ATOM 0 HA LYS A 38 2.242 -18.302 -31.489 1.00 32.00 H new ATOM 0 HB2 LYS A 38 3.626 -18.509 -33.449 1.00 64.00 H new ATOM 0 HB3 LYS A 38 2.491 -19.842 -33.393 1.00 64.00 H new ATOM 0 HG2 LYS A 38 1.218 -19.013 -35.193 1.00 42.00 H new ATOM 0 HG3 LYS A 38 1.826 -17.380 -35.006 1.00 42.00 H new ATOM 0 HD2 LYS A 38 4.082 -18.152 -35.716 1.00 64.00 H new ATOM 0 HD3 LYS A 38 3.452 -19.773 -35.930 1.00 64.00 H new ATOM 0 HE2 LYS A 38 1.822 -18.927 -37.612 1.00 20.00 H new ATOM 0 HE3 LYS A 38 2.428 -17.297 -37.388 1.00 20.00 H new ATOM 0 HZ1 LYS A 38 3.374 -18.325 -39.329 1.00 73.00 H new ATOM 0 HZ2 LYS A 38 4.588 -18.020 -38.181 1.00 73.00 H new ATOM 0 HZ3 LYS A 38 4.001 -19.599 -38.399 1.00 73.00 H new ATOM 631 N GLN A 39 2.852 -15.946 -32.123 1.00 21.00 N ATOM 632 CA GLN A 39 3.045 -14.542 -32.310 1.00 2.00 C ATOM 633 C GLN A 39 4.037 -14.390 -33.424 1.00 4.00 C ATOM 634 O GLN A 39 5.165 -14.886 -33.337 1.00 30.00 O ATOM 635 CB GLN A 39 3.591 -13.880 -31.039 1.00 43.00 C ATOM 636 CG GLN A 39 3.297 -12.377 -30.889 1.00 13.00 C ATOM 637 CD GLN A 39 3.781 -11.516 -32.033 1.00 43.00 C ATOM 638 OE1 GLN A 39 3.055 -11.289 -32.994 1.00 72.00 O ATOM 639 NE2 GLN A 39 4.973 -11.024 -31.938 1.00 53.00 N ATOM 0 H GLN A 39 3.546 -16.393 -31.524 1.00 21.00 H new ATOM 0 HA GLN A 39 2.096 -14.059 -32.543 1.00 2.00 H new ATOM 0 HB2 GLN A 39 3.178 -14.400 -30.175 1.00 43.00 H new ATOM 0 HB3 GLN A 39 4.671 -14.024 -31.012 1.00 43.00 H new ATOM 0 HG2 GLN A 39 2.221 -12.241 -30.781 1.00 13.00 H new ATOM 0 HG3 GLN A 39 3.757 -12.022 -29.967 1.00 13.00 H new ATOM 0 HE21 GLN A 39 5.548 -11.235 -31.123 1.00 53.00 H new ATOM 0 HE22 GLN A 39 5.338 -10.425 -32.678 1.00 53.00 H new ATOM 648 N GLY A 40 3.616 -13.770 -34.466 1.00 64.00 N ATOM 649 CA GLY A 40 4.511 -13.534 -35.574 1.00 23.00 C ATOM 650 C GLY A 40 3.897 -12.680 -36.638 1.00 15.00 C ATOM 651 O GLY A 40 4.590 -11.980 -37.370 1.00 13.00 O ATOM 0 H GLY A 40 2.668 -13.414 -34.589 1.00 64.00 H new ATOM 0 HA2 GLY A 40 5.419 -13.055 -35.207 1.00 23.00 H new ATOM 0 HA3 GLY A 40 4.808 -14.490 -36.006 1.00 23.00 H new ATOM 655 N ILE A 41 2.596 -12.707 -36.705 1.00 22.00 N ATOM 656 CA ILE A 41 1.832 -12.017 -37.707 1.00 14.00 C ATOM 657 C ILE A 41 1.434 -10.603 -37.184 1.00 63.00 C ATOM 658 O ILE A 41 0.383 -10.029 -37.504 1.00 55.00 O ATOM 659 CB ILE A 41 0.610 -12.906 -38.023 1.00 3.00 C ATOM 660 CG1 ILE A 41 -0.167 -12.415 -39.226 1.00 62.00 C ATOM 661 CG2 ILE A 41 -0.294 -13.080 -36.800 1.00 4.00 C ATOM 662 CD1 ILE A 41 -1.318 -13.313 -39.596 1.00 64.00 C ATOM 0 H ILE A 41 2.019 -13.226 -36.043 1.00 22.00 H new ATOM 0 HA ILE A 41 2.401 -11.852 -38.622 1.00 14.00 H new ATOM 0 HB ILE A 41 1.000 -13.890 -38.284 1.00 3.00 H new ATOM 0 HG12 ILE A 41 -0.547 -11.414 -39.021 1.00 62.00 H new ATOM 0 HG13 ILE A 41 0.509 -12.332 -40.077 1.00 62.00 H new ATOM 0 HG21 ILE A 41 -1.143 -13.712 -37.062 1.00 4.00 H new ATOM 0 HG22 ILE A 41 0.271 -13.547 -35.994 1.00 4.00 H new ATOM 0 HG23 ILE A 41 -0.655 -12.105 -36.472 1.00 4.00 H new ATOM 0 HD11 ILE A 41 -1.833 -12.905 -40.465 1.00 64.00 H new ATOM 0 HD12 ILE A 41 -0.942 -14.308 -39.832 1.00 64.00 H new ATOM 0 HD13 ILE A 41 -2.013 -13.377 -38.759 1.00 64.00 H new ATOM 674 N SER A 42 2.322 -10.047 -36.421 1.00 20.00 N ATOM 675 CA SER A 42 2.152 -8.766 -35.817 1.00 31.00 C ATOM 676 C SER A 42 2.398 -7.604 -36.787 1.00 43.00 C ATOM 677 O SER A 42 3.495 -7.042 -36.833 1.00 32.00 O ATOM 678 CB SER A 42 3.076 -8.679 -34.613 1.00 33.00 C ATOM 679 OG SER A 42 4.366 -9.211 -34.941 1.00 74.00 O ATOM 0 H SER A 42 3.214 -10.488 -36.195 1.00 20.00 H new ATOM 0 HA SER A 42 1.111 -8.669 -35.507 1.00 31.00 H new ATOM 0 HB2 SER A 42 3.173 -7.641 -34.294 1.00 33.00 H new ATOM 0 HB3 SER A 42 2.648 -9.232 -33.776 1.00 33.00 H new ATOM 0 HG SER A 42 4.723 -8.743 -35.725 1.00 74.00 H new ATOM 685 N ALA A 43 1.406 -7.299 -37.619 1.00 73.00 N ATOM 686 CA ALA A 43 1.478 -6.145 -38.464 1.00 0.00 C ATOM 687 C ALA A 43 1.357 -4.896 -37.608 1.00 24.00 C ATOM 688 O ALA A 43 1.881 -3.842 -37.923 1.00 72.00 O ATOM 689 CB ALA A 43 0.414 -6.165 -39.545 1.00 20.00 C ATOM 0 H ALA A 43 0.549 -7.844 -37.715 1.00 73.00 H new ATOM 0 HA ALA A 43 2.441 -6.149 -38.975 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.506 -5.271 -40.162 1.00 20.00 H new ATOM 0 HB2 ALA A 43 0.544 -7.051 -40.167 1.00 20.00 H new ATOM 0 HB3 ALA A 43 -0.573 -6.187 -39.083 1.00 20.00 H new ATOM 695 N SER A 44 0.630 -5.030 -36.533 1.00 42.00 N ATOM 696 CA SER A 44 0.480 -4.005 -35.542 1.00 41.00 C ATOM 697 C SER A 44 0.348 -4.719 -34.207 1.00 11.00 C ATOM 698 O SER A 44 -0.118 -5.868 -34.185 1.00 21.00 O ATOM 699 CB SER A 44 -0.772 -3.167 -35.835 1.00 11.00 C ATOM 700 OG SER A 44 -0.752 -2.681 -37.184 1.00 4.00 O ATOM 0 H SER A 44 0.111 -5.881 -36.318 1.00 42.00 H new ATOM 0 HA SER A 44 1.331 -3.324 -35.538 1.00 41.00 H new ATOM 0 HB2 SER A 44 -1.665 -3.770 -35.674 1.00 11.00 H new ATOM 0 HB3 SER A 44 -0.825 -2.328 -35.141 1.00 11.00 H new ATOM 0 HG SER A 44 -1.559 -2.150 -37.353 1.00 4.00 H new ATOM 706 N GLY A 45 0.765 -4.083 -33.124 1.00 74.00 N ATOM 707 CA GLY A 45 0.709 -4.698 -31.805 1.00 53.00 C ATOM 708 C GLY A 45 1.556 -5.954 -31.761 1.00 32.00 C ATOM 709 O GLY A 45 2.726 -5.943 -32.169 1.00 23.00 O ATOM 0 H GLY A 45 1.148 -3.137 -33.131 1.00 74.00 H new ATOM 0 HA2 GLY A 45 1.060 -3.991 -31.054 1.00 53.00 H new ATOM 0 HA3 GLY A 45 -0.324 -4.941 -31.556 1.00 53.00 H new ATOM 713 N ALA A 46 0.956 -7.029 -31.349 1.00 21.00 N ATOM 714 CA ALA A 46 1.567 -8.290 -31.276 1.00 51.00 C ATOM 715 C ALA A 46 0.447 -9.220 -31.500 1.00 2.00 C ATOM 716 O ALA A 46 -0.608 -9.072 -30.872 1.00 25.00 O ATOM 717 CB ALA A 46 2.192 -8.506 -29.913 1.00 11.00 C ATOM 0 H ALA A 46 -0.017 -7.035 -31.044 1.00 21.00 H new ATOM 0 HA ALA A 46 2.376 -8.419 -31.995 1.00 51.00 H new ATOM 0 HB1 ALA A 46 2.660 -9.490 -29.879 1.00 11.00 H new ATOM 0 HB2 ALA A 46 2.946 -7.739 -29.733 1.00 11.00 H new ATOM 0 HB3 ALA A 46 1.421 -8.444 -29.145 1.00 11.00 H new ATOM 723 N ARG A 47 0.588 -10.112 -32.399 1.00 72.00 N ATOM 724 CA ARG A 47 -0.512 -10.921 -32.726 1.00 24.00 C ATOM 725 C ARG A 47 -0.215 -12.387 -32.599 1.00 64.00 C ATOM 726 O ARG A 47 0.621 -12.922 -33.330 1.00 0.00 O ATOM 727 CB ARG A 47 -1.033 -10.642 -34.120 1.00 45.00 C ATOM 728 CG ARG A 47 -1.810 -9.360 -34.277 1.00 4.00 C ATOM 729 CD ARG A 47 -2.348 -9.267 -35.680 1.00 4.00 C ATOM 730 NE ARG A 47 -3.108 -10.482 -36.047 1.00 52.00 N ATOM 731 CZ ARG A 47 -3.343 -10.891 -37.303 1.00 73.00 C ATOM 732 NH1 ARG A 47 -2.980 -10.132 -38.322 1.00 14.00 N ATOM 733 NH2 ARG A 47 -3.935 -12.061 -37.520 1.00 2.00 N ATOM 0 H ARG A 47 1.446 -10.299 -32.917 1.00 72.00 H new ATOM 0 HA ARG A 47 -1.281 -10.660 -31.998 1.00 24.00 H new ATOM 0 HB2 ARG A 47 -0.188 -10.621 -34.808 1.00 45.00 H new ATOM 0 HB3 ARG A 47 -1.670 -11.472 -34.424 1.00 45.00 H new ATOM 0 HG2 ARG A 47 -2.630 -9.329 -33.559 1.00 4.00 H new ATOM 0 HG3 ARG A 47 -1.168 -8.505 -34.065 1.00 4.00 H new ATOM 0 HD2 ARG A 47 -2.993 -8.392 -35.767 1.00 4.00 H new ATOM 0 HD3 ARG A 47 -1.524 -9.126 -36.379 1.00 4.00 H new ATOM 0 HE ARG A 47 -3.482 -11.052 -35.288 1.00 52.00 H new ATOM 0 HH11 ARG A 47 -2.522 -9.237 -38.153 1.00 14.00 H new ATOM 0 HH12 ARG A 47 -3.158 -10.442 -39.277 1.00 14.00 H new ATOM 0 HH21 ARG A 47 -4.210 -12.647 -36.732 1.00 2.00 H new ATOM 0 HH22 ARG A 47 -4.114 -12.373 -38.475 1.00 2.00 H new ATOM 747 N TYR A 48 -0.909 -13.033 -31.706 1.00 14.00 N ATOM 748 CA TYR A 48 -0.819 -14.434 -31.548 1.00 41.00 C ATOM 749 C TYR A 48 -1.948 -14.964 -32.370 1.00 11.00 C ATOM 750 O TYR A 48 -3.100 -14.667 -32.102 1.00 34.00 O ATOM 751 CB TYR A 48 -1.016 -14.838 -30.081 1.00 23.00 C ATOM 752 CG TYR A 48 -0.259 -13.992 -29.075 1.00 71.00 C ATOM 753 CD1 TYR A 48 1.061 -14.246 -28.781 1.00 75.00 C ATOM 754 CD2 TYR A 48 -0.882 -12.938 -28.419 1.00 32.00 C ATOM 755 CE1 TYR A 48 1.751 -13.473 -27.863 1.00 0.00 C ATOM 756 CE2 TYR A 48 -0.206 -12.164 -27.505 1.00 41.00 C ATOM 757 CZ TYR A 48 1.108 -12.433 -27.230 1.00 12.00 C ATOM 758 OH TYR A 48 1.786 -11.658 -26.316 1.00 23.00 O ATOM 0 H TYR A 48 -1.560 -12.583 -31.063 1.00 14.00 H new ATOM 0 HA TYR A 48 0.155 -14.818 -31.850 1.00 41.00 H new ATOM 0 HB2 TYR A 48 -2.079 -14.790 -29.846 1.00 23.00 H new ATOM 0 HB3 TYR A 48 -0.710 -15.877 -29.962 1.00 23.00 H new ATOM 0 HD1 TYR A 48 1.567 -15.062 -29.275 1.00 75.00 H new ATOM 0 HD2 TYR A 48 -1.919 -12.722 -28.631 1.00 32.00 H new ATOM 0 HE1 TYR A 48 2.787 -13.684 -27.645 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.709 -11.348 -27.007 1.00 41.00 H new ATOM 0 HH TYR A 48 1.186 -10.968 -25.964 1.00 23.00 H new ATOM 768 N THR A 49 -1.652 -15.637 -33.407 1.00 44.00 N ATOM 769 CA THR A 49 -2.667 -16.141 -34.266 1.00 33.00 C ATOM 770 C THR A 49 -2.207 -17.456 -34.862 1.00 53.00 C ATOM 771 O THR A 49 -1.043 -17.587 -35.229 1.00 65.00 O ATOM 772 CB THR A 49 -2.996 -15.114 -35.389 1.00 73.00 C ATOM 773 OG1 THR A 49 -3.449 -13.866 -34.814 1.00 64.00 O ATOM 774 CG2 THR A 49 -4.033 -15.643 -36.371 1.00 11.00 C ATOM 0 H THR A 49 -0.699 -15.861 -33.695 1.00 44.00 H new ATOM 0 HA THR A 49 -3.577 -16.306 -33.689 1.00 33.00 H new ATOM 0 HB THR A 49 -2.075 -14.944 -35.947 1.00 73.00 H new ATOM 0 HG1 THR A 49 -2.947 -13.123 -35.209 1.00 64.00 H new ATOM 0 HG21 THR A 49 -4.228 -14.890 -37.135 1.00 11.00 H new ATOM 0 HG22 THR A 49 -3.657 -16.550 -36.844 1.00 11.00 H new ATOM 0 HG23 THR A 49 -4.957 -15.868 -35.838 1.00 11.00 H new ATOM 782 N ASP A 50 -3.078 -18.442 -34.868 1.00 31.00 N ATOM 783 CA ASP A 50 -2.767 -19.713 -35.506 1.00 34.00 C ATOM 784 C ASP A 50 -4.027 -20.380 -36.013 1.00 20.00 C ATOM 785 O ASP A 50 -4.495 -21.371 -35.459 1.00 12.00 O ATOM 786 CB ASP A 50 -1.923 -20.674 -34.624 1.00 20.00 C ATOM 787 CG ASP A 50 -1.440 -21.905 -35.391 1.00 63.00 C ATOM 788 OD1 ASP A 50 -0.778 -21.738 -36.436 1.00 61.00 O ATOM 789 OD2 ASP A 50 -1.683 -23.060 -34.956 1.00 65.00 O ATOM 0 H ASP A 50 -4.004 -18.394 -34.442 1.00 31.00 H new ATOM 0 HA ASP A 50 -2.129 -19.477 -36.357 1.00 34.00 H new ATOM 0 HB2 ASP A 50 -1.062 -20.136 -34.229 1.00 20.00 H new ATOM 0 HB3 ASP A 50 -2.519 -20.994 -33.769 1.00 20.00 H new ATOM 794 N GLY A 51 -4.648 -19.727 -36.984 1.00 64.00 N ATOM 795 CA GLY A 51 -5.816 -20.256 -37.701 1.00 4.00 C ATOM 796 C GLY A 51 -7.138 -20.306 -36.924 1.00 71.00 C ATOM 797 O GLY A 51 -8.209 -20.090 -37.502 1.00 21.00 O ATOM 0 H GLY A 51 -4.358 -18.804 -37.306 1.00 64.00 H new ATOM 0 HA2 GLY A 51 -5.969 -19.651 -38.594 1.00 4.00 H new ATOM 0 HA3 GLY A 51 -5.580 -21.266 -38.037 1.00 4.00 H new ATOM 801 N ILE A 52 -7.076 -20.564 -35.645 1.00 31.00 N ATOM 802 CA ILE A 52 -8.274 -20.795 -34.869 1.00 34.00 C ATOM 803 C ILE A 52 -8.858 -19.486 -34.360 1.00 22.00 C ATOM 804 O ILE A 52 -10.039 -19.301 -34.387 1.00 74.00 O ATOM 805 CB ILE A 52 -8.032 -21.774 -33.692 1.00 53.00 C ATOM 806 CG1 ILE A 52 -7.229 -22.998 -34.176 1.00 63.00 C ATOM 807 CG2 ILE A 52 -9.383 -22.240 -33.148 1.00 1.00 C ATOM 808 CD1 ILE A 52 -6.845 -23.971 -33.076 1.00 2.00 C ATOM 0 H ILE A 52 -6.207 -20.620 -35.113 1.00 31.00 H new ATOM 0 HA ILE A 52 -8.996 -21.262 -35.539 1.00 34.00 H new ATOM 0 HB ILE A 52 -7.467 -21.266 -32.911 1.00 53.00 H new ATOM 0 HG12 ILE A 52 -7.816 -23.529 -34.925 1.00 63.00 H new ATOM 0 HG13 ILE A 52 -6.322 -22.650 -34.670 1.00 63.00 H new ATOM 0 HG21 ILE A 52 -9.223 -22.930 -32.319 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -9.951 -21.378 -32.799 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -9.939 -22.745 -33.938 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -6.283 -24.801 -33.504 1.00 2.00 H new ATOM 0 HD12 ILE A 52 -6.229 -23.459 -32.336 1.00 2.00 H new ATOM 0 HD13 ILE A 52 -7.747 -24.352 -32.596 1.00 2.00 H new ATOM 820 N TYR A 53 -8.020 -18.600 -33.889 1.00 3.00 N ATOM 821 CA TYR A 53 -8.429 -17.268 -33.450 1.00 43.00 C ATOM 822 C TYR A 53 -7.325 -16.326 -33.743 1.00 22.00 C ATOM 823 O TYR A 53 -6.260 -16.745 -34.217 1.00 71.00 O ATOM 824 CB TYR A 53 -8.793 -17.195 -31.949 1.00 53.00 C ATOM 825 CG TYR A 53 -10.052 -17.975 -31.618 1.00 61.00 C ATOM 826 CD1 TYR A 53 -11.299 -17.448 -31.911 1.00 11.00 C ATOM 827 CD2 TYR A 53 -9.995 -19.259 -31.093 1.00 0.00 C ATOM 828 CE1 TYR A 53 -12.450 -18.166 -31.687 1.00 15.00 C ATOM 829 CE2 TYR A 53 -11.147 -19.993 -30.879 1.00 12.00 C ATOM 830 CZ TYR A 53 -12.371 -19.439 -31.179 1.00 24.00 C ATOM 831 OH TYR A 53 -13.521 -20.168 -30.988 1.00 65.00 O ATOM 0 H TYR A 53 -7.019 -18.774 -33.794 1.00 3.00 H new ATOM 0 HA TYR A 53 -9.337 -17.006 -33.993 1.00 43.00 H new ATOM 0 HB2 TYR A 53 -7.963 -17.583 -31.358 1.00 53.00 H new ATOM 0 HB3 TYR A 53 -8.929 -16.152 -31.662 1.00 53.00 H new ATOM 0 HD1 TYR A 53 -11.369 -16.453 -32.324 1.00 11.00 H new ATOM 0 HD2 TYR A 53 -9.036 -19.691 -30.848 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.413 -17.730 -31.910 1.00 15.00 H new ATOM 0 HE2 TYR A 53 -11.087 -20.994 -30.479 1.00 12.00 H new ATOM 0 HH TYR A 53 -13.709 -20.236 -30.029 1.00 65.00 H new ATOM 841 N VAL A 54 -7.553 -15.094 -33.477 1.00 73.00 N ATOM 842 CA VAL A 54 -6.615 -14.053 -33.726 1.00 1.00 C ATOM 843 C VAL A 54 -6.525 -13.204 -32.483 1.00 62.00 C ATOM 844 O VAL A 54 -7.520 -12.614 -32.061 1.00 64.00 O ATOM 845 CB VAL A 54 -7.127 -13.165 -34.877 1.00 72.00 C ATOM 846 CG1 VAL A 54 -6.284 -11.904 -35.056 1.00 24.00 C ATOM 847 CG2 VAL A 54 -7.229 -13.929 -36.195 1.00 14.00 C ATOM 0 H VAL A 54 -8.427 -14.766 -33.065 1.00 73.00 H new ATOM 0 HA VAL A 54 -5.646 -14.477 -33.989 1.00 1.00 H new ATOM 0 HB VAL A 54 -8.132 -12.856 -34.590 1.00 72.00 H new ATOM 0 HG11 VAL A 54 -6.685 -11.312 -35.879 1.00 24.00 H new ATOM 0 HG12 VAL A 54 -6.310 -11.316 -34.139 1.00 24.00 H new ATOM 0 HG13 VAL A 54 -5.254 -12.183 -35.278 1.00 24.00 H new ATOM 0 HG21 VAL A 54 -7.594 -13.261 -36.975 1.00 14.00 H new ATOM 0 HG22 VAL A 54 -6.246 -14.308 -36.473 1.00 14.00 H new ATOM 0 HG23 VAL A 54 -7.920 -14.764 -36.079 1.00 14.00 H new ATOM 857 N PHE A 55 -5.389 -13.192 -31.873 1.00 21.00 N ATOM 858 CA PHE A 55 -5.152 -12.327 -30.749 1.00 61.00 C ATOM 859 C PHE A 55 -4.468 -11.102 -31.212 1.00 55.00 C ATOM 860 O PHE A 55 -3.501 -11.176 -31.976 1.00 42.00 O ATOM 861 CB PHE A 55 -4.251 -12.960 -29.704 1.00 40.00 C ATOM 862 CG PHE A 55 -4.893 -13.875 -28.729 1.00 73.00 C ATOM 863 CD1 PHE A 55 -5.569 -14.996 -29.136 1.00 20.00 C ATOM 864 CD2 PHE A 55 -4.805 -13.599 -27.377 1.00 43.00 C ATOM 865 CE1 PHE A 55 -6.146 -15.830 -28.217 1.00 22.00 C ATOM 866 CE2 PHE A 55 -5.376 -14.429 -26.454 1.00 74.00 C ATOM 867 CZ PHE A 55 -6.048 -15.545 -26.874 1.00 45.00 C ATOM 0 H PHE A 55 -4.595 -13.777 -32.132 1.00 21.00 H new ATOM 0 HA PHE A 55 -6.126 -12.120 -30.305 1.00 61.00 H new ATOM 0 HB2 PHE A 55 -3.467 -13.512 -30.222 1.00 40.00 H new ATOM 0 HB3 PHE A 55 -3.763 -12.160 -29.148 1.00 40.00 H new ATOM 0 HD1 PHE A 55 -5.647 -15.223 -30.189 1.00 20.00 H new ATOM 0 HD2 PHE A 55 -4.278 -12.716 -27.046 1.00 43.00 H new ATOM 0 HE1 PHE A 55 -6.678 -16.711 -28.545 1.00 22.00 H new ATOM 0 HE2 PHE A 55 -5.298 -14.206 -25.400 1.00 74.00 H new ATOM 0 HZ PHE A 55 -6.503 -16.204 -26.149 1.00 45.00 H new ATOM 877 N TRP A 56 -4.946 -10.004 -30.785 1.00 52.00 N ATOM 878 CA TRP A 56 -4.285 -8.798 -31.010 1.00 33.00 C ATOM 879 C TRP A 56 -4.007 -8.205 -29.669 1.00 13.00 C ATOM 880 O TRP A 56 -4.919 -7.896 -28.891 1.00 2.00 O ATOM 881 CB TRP A 56 -5.073 -7.851 -31.893 1.00 52.00 C ATOM 882 CG TRP A 56 -4.282 -6.652 -32.352 1.00 10.00 C ATOM 883 CD1 TRP A 56 -2.925 -6.508 -32.324 1.00 21.00 C ATOM 884 CD2 TRP A 56 -4.793 -5.450 -32.936 1.00 34.00 C ATOM 885 NE1 TRP A 56 -2.569 -5.294 -32.819 1.00 72.00 N ATOM 886 CE2 TRP A 56 -3.689 -4.620 -33.209 1.00 3.00 C ATOM 887 CE3 TRP A 56 -6.071 -4.987 -33.244 1.00 45.00 C ATOM 888 CZ2 TRP A 56 -3.826 -3.358 -33.781 1.00 2.00 C ATOM 889 CZ3 TRP A 56 -6.207 -3.735 -33.815 1.00 42.00 C ATOM 890 CH2 TRP A 56 -5.091 -2.933 -34.075 1.00 40.00 C ATOM 0 H TRP A 56 -5.819 -9.921 -30.263 1.00 52.00 H new ATOM 0 HA TRP A 56 -3.359 -8.978 -31.557 1.00 33.00 H new ATOM 0 HB2 TRP A 56 -5.431 -8.396 -32.767 1.00 52.00 H new ATOM 0 HB3 TRP A 56 -5.953 -7.508 -31.349 1.00 52.00 H new ATOM 0 HD1 TRP A 56 -2.233 -7.253 -31.960 1.00 21.00 H new ATOM 0 HE1 TRP A 56 -1.614 -4.942 -32.888 1.00 72.00 H new ATOM 0 HE3 TRP A 56 -6.940 -5.595 -33.040 1.00 45.00 H new ATOM 0 HZ2 TRP A 56 -2.965 -2.738 -33.985 1.00 2.00 H new ATOM 0 HZ3 TRP A 56 -7.192 -3.370 -34.065 1.00 42.00 H new ATOM 0 HH2 TRP A 56 -5.232 -1.958 -34.517 1.00 40.00 H new ATOM 901 N SER A 57 -2.780 -8.141 -29.389 1.00 61.00 N ATOM 902 CA SER A 57 -2.281 -7.623 -28.175 1.00 0.00 C ATOM 903 C SER A 57 -1.823 -6.224 -28.469 1.00 13.00 C ATOM 904 O SER A 57 -0.940 -6.011 -29.304 1.00 74.00 O ATOM 905 CB SER A 57 -1.122 -8.512 -27.683 1.00 75.00 C ATOM 906 OG SER A 57 -0.597 -8.116 -26.416 1.00 45.00 O ATOM 0 H SER A 57 -2.049 -8.462 -30.024 1.00 61.00 H new ATOM 0 HA SER A 57 -3.034 -7.610 -27.387 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.469 -9.543 -27.617 1.00 75.00 H new ATOM 0 HB3 SER A 57 -0.321 -8.492 -28.422 1.00 75.00 H new ATOM 0 HG SER A 57 0.132 -8.719 -26.161 1.00 45.00 H new ATOM 912 N LYS A 58 -2.474 -5.290 -27.867 1.00 62.00 N ATOM 913 CA LYS A 58 -2.169 -3.901 -28.052 1.00 22.00 C ATOM 914 C LYS A 58 -1.636 -3.375 -26.724 1.00 23.00 C ATOM 915 O LYS A 58 -1.030 -4.144 -25.948 1.00 0.00 O ATOM 916 CB LYS A 58 -3.449 -3.168 -28.450 1.00 4.00 C ATOM 917 CG LYS A 58 -4.145 -3.714 -29.697 1.00 51.00 C ATOM 918 CD LYS A 58 -5.579 -3.193 -29.821 1.00 44.00 C ATOM 919 CE LYS A 58 -5.653 -1.674 -29.904 1.00 15.00 C ATOM 920 NZ LYS A 58 -7.043 -1.180 -29.781 1.00 33.00 N ATOM 0 H LYS A 58 -3.245 -5.465 -27.222 1.00 62.00 H new ATOM 0 HA LYS A 58 -1.427 -3.749 -28.835 1.00 22.00 H new ATOM 0 HB2 LYS A 58 -4.148 -3.209 -27.615 1.00 4.00 H new ATOM 0 HB3 LYS A 58 -3.212 -2.117 -28.616 1.00 4.00 H new ATOM 0 HG2 LYS A 58 -3.577 -3.431 -30.583 1.00 51.00 H new ATOM 0 HG3 LYS A 58 -4.156 -4.803 -29.660 1.00 51.00 H new ATOM 0 HD2 LYS A 58 -6.041 -3.623 -30.710 1.00 44.00 H new ATOM 0 HD3 LYS A 58 -6.159 -3.534 -28.963 1.00 44.00 H new ATOM 0 HE2 LYS A 58 -5.042 -1.237 -29.114 1.00 15.00 H new ATOM 0 HE3 LYS A 58 -5.233 -1.342 -30.853 1.00 15.00 H new ATOM 0 HZ1 LYS A 58 -7.033 -0.155 -29.605 1.00 33.00 H new ATOM 0 HZ2 LYS A 58 -7.560 -1.375 -30.662 1.00 33.00 H new ATOM 0 HZ3 LYS A 58 -7.514 -1.663 -28.990 1.00 33.00 H new ATOM 934 N GLY A 59 -1.872 -2.106 -26.441 1.00 33.00 N ATOM 935 CA GLY A 59 -1.406 -1.497 -25.218 1.00 24.00 C ATOM 936 C GLY A 59 -2.202 -1.937 -24.001 1.00 15.00 C ATOM 937 O GLY A 59 -3.107 -1.224 -23.545 1.00 21.00 O ATOM 0 H GLY A 59 -2.390 -1.475 -27.053 1.00 33.00 H new ATOM 0 HA2 GLY A 59 -0.356 -1.748 -25.070 1.00 24.00 H new ATOM 0 HA3 GLY A 59 -1.464 -0.413 -25.312 1.00 24.00 H new ATOM 941 N ASP A 60 -1.915 -3.156 -23.544 1.00 62.00 N ATOM 942 CA ASP A 60 -2.471 -3.764 -22.334 1.00 43.00 C ATOM 943 C ASP A 60 -3.843 -4.272 -22.547 1.00 14.00 C ATOM 944 O ASP A 60 -4.520 -4.678 -21.614 1.00 32.00 O ATOM 945 CB ASP A 60 -2.377 -2.875 -21.088 1.00 71.00 C ATOM 946 CG ASP A 60 -0.970 -2.744 -20.579 1.00 43.00 C ATOM 947 OD1 ASP A 60 -0.537 -3.597 -19.773 1.00 71.00 O ATOM 948 OD2 ASP A 60 -0.267 -1.789 -20.950 1.00 33.00 O ATOM 0 H ASP A 60 -1.262 -3.773 -24.027 1.00 62.00 H new ATOM 0 HA ASP A 60 -1.830 -4.621 -22.126 1.00 43.00 H new ATOM 0 HB2 ASP A 60 -2.769 -1.885 -21.322 1.00 71.00 H new ATOM 0 HB3 ASP A 60 -3.007 -3.290 -20.301 1.00 71.00 H new ATOM 953 N GLU A 61 -4.237 -4.331 -23.780 1.00 24.00 N ATOM 954 CA GLU A 61 -5.505 -4.842 -24.100 1.00 44.00 C ATOM 955 C GLU A 61 -5.328 -6.019 -25.010 1.00 42.00 C ATOM 956 O GLU A 61 -4.438 -6.016 -25.884 1.00 35.00 O ATOM 957 CB GLU A 61 -6.451 -3.787 -24.690 1.00 41.00 C ATOM 958 CG GLU A 61 -5.947 -3.161 -25.959 1.00 24.00 C ATOM 959 CD GLU A 61 -6.903 -2.163 -26.554 1.00 23.00 C ATOM 960 OE1 GLU A 61 -6.851 -0.990 -26.184 1.00 51.00 O ATOM 961 OE2 GLU A 61 -7.706 -2.531 -27.444 1.00 32.00 O ATOM 0 H GLU A 61 -3.682 -4.025 -24.579 1.00 24.00 H new ATOM 0 HA GLU A 61 -5.993 -5.162 -23.179 1.00 44.00 H new ATOM 0 HB2 GLU A 61 -7.419 -4.249 -24.884 1.00 41.00 H new ATOM 0 HB3 GLU A 61 -6.614 -3.004 -23.949 1.00 41.00 H new ATOM 0 HG2 GLU A 61 -4.996 -2.667 -25.759 1.00 24.00 H new ATOM 0 HG3 GLU A 61 -5.751 -3.946 -26.690 1.00 24.00 H new ATOM 968 N ALA A 62 -6.114 -7.018 -24.801 1.00 14.00 N ATOM 969 CA ALA A 62 -6.025 -8.202 -25.568 1.00 11.00 C ATOM 970 C ALA A 62 -7.356 -8.470 -26.209 1.00 43.00 C ATOM 971 O ALA A 62 -8.383 -8.625 -25.527 1.00 30.00 O ATOM 972 CB ALA A 62 -5.609 -9.370 -24.707 1.00 21.00 C ATOM 0 H ALA A 62 -6.841 -7.032 -24.086 1.00 14.00 H new ATOM 0 HA ALA A 62 -5.267 -8.073 -26.340 1.00 11.00 H new ATOM 0 HB1 ALA A 62 -5.547 -10.270 -25.319 1.00 21.00 H new ATOM 0 HB2 ALA A 62 -4.635 -9.166 -24.263 1.00 21.00 H new ATOM 0 HB3 ALA A 62 -6.344 -9.519 -23.916 1.00 21.00 H new ATOM 978 N THR A 63 -7.351 -8.491 -27.473 1.00 71.00 N ATOM 979 CA THR A 63 -8.533 -8.708 -28.248 1.00 61.00 C ATOM 980 C THR A 63 -8.417 -10.032 -29.003 1.00 24.00 C ATOM 981 O THR A 63 -7.372 -10.332 -29.559 1.00 63.00 O ATOM 982 CB THR A 63 -8.717 -7.528 -29.218 1.00 54.00 C ATOM 983 OG1 THR A 63 -8.741 -6.309 -28.449 1.00 25.00 O ATOM 984 CG2 THR A 63 -10.015 -7.649 -29.990 1.00 21.00 C ATOM 0 H THR A 63 -6.509 -8.356 -28.033 1.00 71.00 H new ATOM 0 HA THR A 63 -9.406 -8.767 -27.598 1.00 61.00 H new ATOM 0 HB THR A 63 -7.894 -7.527 -29.933 1.00 54.00 H new ATOM 0 HG1 THR A 63 -8.856 -5.544 -29.051 1.00 25.00 H new ATOM 0 HG21 THR A 63 -10.116 -6.801 -30.667 1.00 21.00 H new ATOM 0 HG22 THR A 63 -10.011 -8.574 -30.566 1.00 21.00 H new ATOM 0 HG23 THR A 63 -10.853 -7.659 -29.293 1.00 21.00 H new ATOM 992 N VAL A 64 -9.475 -10.840 -28.984 1.00 51.00 N ATOM 993 CA VAL A 64 -9.453 -12.126 -29.647 1.00 51.00 C ATOM 994 C VAL A 64 -10.605 -12.180 -30.619 1.00 21.00 C ATOM 995 O VAL A 64 -11.757 -12.326 -30.201 1.00 31.00 O ATOM 996 CB VAL A 64 -9.605 -13.301 -28.657 1.00 12.00 C ATOM 997 CG1 VAL A 64 -9.395 -14.625 -29.369 1.00 34.00 C ATOM 998 CG2 VAL A 64 -8.672 -13.164 -27.467 1.00 52.00 C ATOM 0 H VAL A 64 -10.354 -10.620 -28.515 1.00 51.00 H new ATOM 0 HA VAL A 64 -8.489 -12.227 -30.147 1.00 51.00 H new ATOM 0 HB VAL A 64 -10.622 -13.276 -28.267 1.00 12.00 H new ATOM 0 HG11 VAL A 64 -9.506 -15.443 -28.657 1.00 34.00 H new ATOM 0 HG12 VAL A 64 -10.134 -14.733 -30.163 1.00 34.00 H new ATOM 0 HG13 VAL A 64 -8.394 -14.652 -29.800 1.00 34.00 H new ATOM 0 HG21 VAL A 64 -8.812 -14.011 -26.796 1.00 52.00 H new ATOM 0 HG22 VAL A 64 -7.639 -13.143 -27.815 1.00 52.00 H new ATOM 0 HG23 VAL A 64 -8.894 -12.239 -26.935 1.00 52.00 H new ATOM 1008 N TYR A 65 -10.303 -12.059 -31.871 1.00 3.00 N ATOM 1009 CA TYR A 65 -11.293 -11.990 -32.927 1.00 30.00 C ATOM 1010 C TYR A 65 -10.909 -12.897 -34.053 1.00 44.00 C ATOM 1011 O TYR A 65 -9.959 -12.637 -34.747 1.00 10.00 O ATOM 1012 CB TYR A 65 -11.356 -10.528 -33.438 1.00 53.00 C ATOM 1013 CG TYR A 65 -12.166 -10.240 -34.727 1.00 4.00 C ATOM 1014 CD1 TYR A 65 -11.625 -10.482 -35.995 1.00 64.00 C ATOM 1015 CD2 TYR A 65 -13.443 -9.710 -34.674 1.00 21.00 C ATOM 1016 CE1 TYR A 65 -12.335 -10.216 -37.144 1.00 62.00 C ATOM 1017 CE2 TYR A 65 -14.157 -9.438 -35.823 1.00 51.00 C ATOM 1018 CZ TYR A 65 -13.599 -9.694 -37.052 1.00 71.00 C ATOM 1019 OH TYR A 65 -14.311 -9.425 -38.196 1.00 25.00 O ATOM 0 H TYR A 65 -9.342 -12.003 -32.208 1.00 3.00 H new ATOM 0 HA TYR A 65 -12.265 -12.303 -32.545 1.00 30.00 H new ATOM 0 HB2 TYR A 65 -11.771 -9.913 -32.639 1.00 53.00 H new ATOM 0 HB3 TYR A 65 -10.334 -10.188 -33.604 1.00 53.00 H new ATOM 0 HD1 TYR A 65 -10.627 -10.887 -36.074 1.00 64.00 H new ATOM 0 HD2 TYR A 65 -13.891 -9.505 -33.713 1.00 21.00 H new ATOM 0 HE1 TYR A 65 -11.899 -10.417 -38.111 1.00 62.00 H new ATOM 0 HE2 TYR A 65 -15.153 -9.025 -35.756 1.00 51.00 H new ATOM 0 HH TYR A 65 -15.189 -9.060 -37.957 1.00 25.00 H new ATOM 1029 N LYS A 66 -11.580 -13.984 -34.200 1.00 33.00 N ATOM 1030 CA LYS A 66 -11.436 -14.720 -35.368 1.00 42.00 C ATOM 1031 C LYS A 66 -12.518 -14.210 -36.276 1.00 4.00 C ATOM 1032 O LYS A 66 -13.490 -13.596 -35.821 1.00 1.00 O ATOM 1033 CB LYS A 66 -11.657 -16.220 -35.157 1.00 14.00 C ATOM 1034 CG LYS A 66 -11.044 -17.067 -36.265 1.00 42.00 C ATOM 1035 CD LYS A 66 -11.988 -18.121 -36.852 1.00 60.00 C ATOM 1036 CE LYS A 66 -12.510 -19.129 -35.827 1.00 54.00 C ATOM 1037 NZ LYS A 66 -13.141 -20.294 -36.476 1.00 73.00 N ATOM 0 H LYS A 66 -12.230 -14.369 -33.515 1.00 33.00 H new ATOM 0 HA LYS A 66 -10.425 -14.605 -35.759 1.00 42.00 H new ATOM 0 HB2 LYS A 66 -11.227 -16.515 -34.200 1.00 14.00 H new ATOM 0 HB3 LYS A 66 -12.727 -16.421 -35.101 1.00 14.00 H new ATOM 0 HG2 LYS A 66 -10.711 -16.408 -37.067 1.00 42.00 H new ATOM 0 HG3 LYS A 66 -10.158 -17.568 -35.875 1.00 42.00 H new ATOM 0 HD2 LYS A 66 -12.836 -17.617 -37.315 1.00 60.00 H new ATOM 0 HD3 LYS A 66 -11.467 -18.660 -37.643 1.00 60.00 H new ATOM 0 HE2 LYS A 66 -11.687 -19.466 -35.197 1.00 54.00 H new ATOM 0 HE3 LYS A 66 -13.233 -18.641 -35.173 1.00 54.00 H new ATOM 0 HZ1 LYS A 66 -13.943 -20.620 -35.900 1.00 73.00 H new ATOM 0 HZ2 LYS A 66 -13.480 -20.023 -37.421 1.00 73.00 H new ATOM 0 HZ3 LYS A 66 -12.445 -21.061 -36.565 1.00 73.00 H new ATOM 1051 N ARG A 67 -12.355 -14.484 -37.505 1.00 12.00 N ATOM 1052 CA ARG A 67 -13.309 -14.160 -38.569 1.00 31.00 C ATOM 1053 C ARG A 67 -14.710 -14.669 -38.228 1.00 55.00 C ATOM 1054 O ARG A 67 -15.704 -14.018 -38.515 1.00 4.00 O ATOM 1055 CB ARG A 67 -12.871 -14.834 -39.846 1.00 41.00 C ATOM 1056 CG ARG A 67 -11.527 -14.399 -40.361 1.00 70.00 C ATOM 1057 CD ARG A 67 -11.112 -15.275 -41.511 1.00 4.00 C ATOM 1058 NE ARG A 67 -9.846 -14.849 -42.113 1.00 41.00 N ATOM 1059 CZ ARG A 67 -8.953 -15.652 -42.720 1.00 4.00 C ATOM 1060 NH1 ARG A 67 -9.103 -16.985 -42.697 1.00 61.00 N ATOM 1061 NH2 ARG A 67 -7.911 -15.121 -43.330 1.00 0.00 N ATOM 0 H ARG A 67 -11.524 -14.964 -37.851 1.00 12.00 H new ATOM 0 HA ARG A 67 -13.336 -13.076 -38.680 1.00 31.00 H new ATOM 0 HB2 ARG A 67 -12.850 -15.911 -39.683 1.00 41.00 H new ATOM 0 HB3 ARG A 67 -13.619 -14.643 -40.616 1.00 41.00 H new ATOM 0 HG2 ARG A 67 -11.570 -13.358 -40.682 1.00 70.00 H new ATOM 0 HG3 ARG A 67 -10.786 -14.456 -39.563 1.00 70.00 H new ATOM 0 HD2 ARG A 67 -11.017 -16.304 -41.164 1.00 4.00 H new ATOM 0 HD3 ARG A 67 -11.893 -15.266 -42.271 1.00 4.00 H new ATOM 0 HE ARG A 67 -9.622 -13.855 -42.068 1.00 41.00 H new ATOM 0 HH11 ARG A 67 -9.901 -17.400 -42.216 1.00 61.00 H new ATOM 0 HH12 ARG A 67 -8.419 -17.583 -43.161 1.00 61.00 H new ATOM 0 HH21 ARG A 67 -7.787 -14.109 -43.339 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.230 -15.723 -43.792 1.00 0.00 H new ATOM 1075 N ASP A 68 -14.763 -15.807 -37.558 1.00 52.00 N ATOM 1076 CA ASP A 68 -16.022 -16.446 -37.252 1.00 32.00 C ATOM 1077 C ASP A 68 -16.550 -15.966 -35.960 1.00 2.00 C ATOM 1078 O ASP A 68 -17.755 -15.795 -35.805 1.00 43.00 O ATOM 1079 CB ASP A 68 -15.926 -17.982 -37.178 1.00 13.00 C ATOM 1080 CG ASP A 68 -15.528 -18.670 -38.457 1.00 61.00 C ATOM 1081 OD1 ASP A 68 -16.345 -18.794 -39.373 1.00 43.00 O ATOM 1082 OD2 ASP A 68 -14.387 -19.142 -38.543 1.00 3.00 O ATOM 0 H ASP A 68 -13.942 -16.306 -37.216 1.00 52.00 H new ATOM 0 HA ASP A 68 -16.687 -16.181 -38.074 1.00 32.00 H new ATOM 0 HB2 ASP A 68 -15.205 -18.247 -36.404 1.00 13.00 H new ATOM 0 HB3 ASP A 68 -16.892 -18.374 -36.861 1.00 13.00 H new ATOM 1087 N ARG A 69 -15.662 -15.683 -35.042 1.00 23.00 N ATOM 1088 CA ARG A 69 -16.087 -15.410 -33.728 1.00 21.00 C ATOM 1089 C ARG A 69 -14.976 -14.822 -32.862 1.00 2.00 C ATOM 1090 O ARG A 69 -13.817 -15.252 -32.889 1.00 3.00 O ATOM 1091 CB ARG A 69 -16.623 -16.674 -33.055 1.00 11.00 C ATOM 1092 CG ARG A 69 -17.460 -16.421 -31.816 1.00 41.00 C ATOM 1093 CD ARG A 69 -17.693 -17.713 -31.080 1.00 72.00 C ATOM 1094 NE ARG A 69 -18.719 -17.620 -30.032 1.00 64.00 N ATOM 1095 CZ ARG A 69 -18.492 -17.363 -28.741 1.00 53.00 C ATOM 1096 NH1 ARG A 69 -17.361 -16.778 -28.366 1.00 72.00 N ATOM 1097 NH2 ARG A 69 -19.436 -17.615 -27.840 1.00 5.00 N ATOM 0 H ARG A 69 -14.654 -15.640 -35.195 1.00 23.00 H new ATOM 0 HA ARG A 69 -16.880 -14.668 -33.815 1.00 21.00 H new ATOM 0 HB2 ARG A 69 -17.224 -17.228 -33.777 1.00 11.00 H new ATOM 0 HB3 ARG A 69 -15.781 -17.311 -32.785 1.00 11.00 H new ATOM 0 HG2 ARG A 69 -16.954 -15.708 -31.165 1.00 41.00 H new ATOM 0 HG3 ARG A 69 -18.414 -15.975 -32.096 1.00 41.00 H new ATOM 0 HD2 ARG A 69 -17.986 -18.481 -31.796 1.00 72.00 H new ATOM 0 HD3 ARG A 69 -16.755 -18.039 -30.630 1.00 72.00 H new ATOM 0 HE ARG A 69 -19.688 -17.764 -30.315 1.00 64.00 H new ATOM 0 HH11 ARG A 69 -16.663 -16.523 -29.064 1.00 72.00 H new ATOM 0 HH12 ARG A 69 -17.190 -16.583 -27.379 1.00 72.00 H new ATOM 0 HH21 ARG A 69 -20.332 -18.004 -28.135 1.00 5.00 H new ATOM 0 HH22 ARG A 69 -19.265 -17.420 -26.854 1.00 5.00 H new ATOM 1111 N ILE A 70 -15.358 -13.828 -32.180 1.00 11.00 N ATOM 1112 CA ILE A 70 -14.637 -13.189 -31.100 1.00 73.00 C ATOM 1113 C ILE A 70 -14.894 -13.993 -29.867 1.00 61.00 C ATOM 1114 O ILE A 70 -16.010 -14.481 -29.650 1.00 32.00 O ATOM 1115 CB ILE A 70 -15.223 -11.786 -30.824 1.00 42.00 C ATOM 1116 CG1 ILE A 70 -15.205 -10.929 -32.067 1.00 33.00 C ATOM 1117 CG2 ILE A 70 -14.528 -11.085 -29.659 1.00 10.00 C ATOM 1118 CD1 ILE A 70 -15.810 -9.549 -31.885 1.00 24.00 C ATOM 0 H ILE A 70 -16.257 -13.380 -32.355 1.00 11.00 H new ATOM 0 HA ILE A 70 -13.581 -13.117 -31.359 1.00 73.00 H new ATOM 0 HB ILE A 70 -16.263 -11.932 -30.531 1.00 42.00 H new ATOM 0 HG12 ILE A 70 -14.174 -10.819 -32.403 1.00 33.00 H new ATOM 0 HG13 ILE A 70 -15.745 -11.448 -32.859 1.00 33.00 H new ATOM 0 HG21 ILE A 70 -14.976 -10.103 -29.505 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -14.643 -11.682 -28.754 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -13.468 -10.969 -29.884 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -15.756 -9.001 -32.826 1.00 24.00 H new ATOM 0 HD12 ILE A 70 -16.852 -9.646 -31.581 1.00 24.00 H new ATOM 0 HD13 ILE A 70 -15.257 -9.008 -31.118 1.00 24.00 H new ATOM 1130 N VAL A 71 -13.909 -14.140 -29.066 1.00 41.00 N ATOM 1131 CA VAL A 71 -14.124 -14.834 -27.819 1.00 54.00 C ATOM 1132 C VAL A 71 -13.911 -13.938 -26.626 1.00 32.00 C ATOM 1133 O VAL A 71 -14.389 -14.218 -25.543 1.00 33.00 O ATOM 1134 CB VAL A 71 -13.414 -16.215 -27.674 1.00 71.00 C ATOM 1135 CG1 VAL A 71 -13.879 -17.152 -28.760 1.00 1.00 C ATOM 1136 CG2 VAL A 71 -11.913 -16.114 -27.694 1.00 41.00 C ATOM 0 H VAL A 71 -12.960 -13.804 -29.229 1.00 41.00 H new ATOM 0 HA VAL A 71 -15.180 -15.103 -27.848 1.00 54.00 H new ATOM 0 HB VAL A 71 -13.691 -16.607 -26.695 1.00 71.00 H new ATOM 0 HG11 VAL A 71 -13.378 -18.114 -28.650 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -14.957 -17.294 -28.681 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -13.639 -16.727 -29.735 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -11.480 -17.109 -27.589 1.00 41.00 H new ATOM 0 HG22 VAL A 71 -11.590 -15.676 -28.638 1.00 41.00 H new ATOM 0 HG23 VAL A 71 -11.580 -15.484 -26.869 1.00 41.00 H new ATOM 1146 N LEU A 72 -13.257 -12.817 -26.845 1.00 12.00 N ATOM 1147 CA LEU A 72 -13.022 -11.870 -25.757 1.00 54.00 C ATOM 1148 C LEU A 72 -13.384 -10.461 -26.120 1.00 3.00 C ATOM 1149 O LEU A 72 -14.527 -10.052 -25.994 1.00 53.00 O ATOM 1150 CB LEU A 72 -11.604 -11.946 -25.148 1.00 20.00 C ATOM 1151 CG LEU A 72 -11.383 -12.892 -23.984 1.00 62.00 C ATOM 1152 CD1 LEU A 72 -12.481 -12.768 -22.951 1.00 30.00 C ATOM 1153 CD2 LEU A 72 -11.123 -14.315 -24.444 1.00 24.00 C ATOM 0 H LEU A 72 -12.880 -12.535 -27.750 1.00 12.00 H new ATOM 0 HA LEU A 72 -13.706 -12.192 -24.971 1.00 54.00 H new ATOM 0 HB2 LEU A 72 -10.913 -12.226 -25.943 1.00 20.00 H new ATOM 0 HB3 LEU A 72 -11.325 -10.944 -24.822 1.00 20.00 H new ATOM 0 HG LEU A 72 -10.467 -12.589 -23.477 1.00 62.00 H new ATOM 0 HD11 LEU A 72 -12.290 -13.461 -22.132 1.00 30.00 H new ATOM 0 HD12 LEU A 72 -12.505 -11.748 -22.566 1.00 30.00 H new ATOM 0 HD13 LEU A 72 -13.441 -13.005 -23.410 1.00 30.00 H new ATOM 0 HD21 LEU A 72 -10.971 -14.956 -23.576 1.00 24.00 H new ATOM 0 HD22 LEU A 72 -11.979 -14.675 -25.015 1.00 24.00 H new ATOM 0 HD23 LEU A 72 -10.232 -14.337 -25.072 1.00 24.00 H new ATOM 1165 N ASN A 73 -12.391 -9.749 -26.571 1.00 50.00 N ATOM 1166 CA ASN A 73 -12.482 -8.325 -27.032 1.00 32.00 C ATOM 1167 C ASN A 73 -12.661 -7.364 -25.843 1.00 74.00 C ATOM 1168 O ASN A 73 -13.039 -6.206 -25.986 1.00 32.00 O ATOM 1169 CB ASN A 73 -13.574 -8.137 -28.120 1.00 4.00 C ATOM 1170 CG ASN A 73 -13.585 -6.763 -28.784 1.00 53.00 C ATOM 1171 OD1 ASN A 73 -12.561 -6.108 -28.908 1.00 21.00 O ATOM 1172 ND2 ASN A 73 -14.733 -6.335 -29.213 1.00 31.00 N ATOM 0 H ASN A 73 -11.446 -10.125 -26.645 1.00 50.00 H new ATOM 0 HA ASN A 73 -11.534 -8.070 -27.506 1.00 32.00 H new ATOM 0 HB2 ASN A 73 -13.435 -8.896 -28.890 1.00 4.00 H new ATOM 0 HB3 ASN A 73 -14.550 -8.315 -27.670 1.00 4.00 H new ATOM 0 HD21 ASN A 73 -14.800 -5.426 -29.670 1.00 31.00 H new ATOM 0 HD22 ASN A 73 -15.568 -6.908 -29.093 1.00 31.00 H new ATOM 1179 N ASN A 74 -12.335 -7.855 -24.685 1.00 61.00 N ATOM 1180 CA ASN A 74 -12.354 -7.068 -23.474 1.00 12.00 C ATOM 1181 C ASN A 74 -11.471 -7.726 -22.467 1.00 74.00 C ATOM 1182 O ASN A 74 -11.923 -8.525 -21.644 1.00 3.00 O ATOM 1183 CB ASN A 74 -13.762 -6.849 -22.880 1.00 53.00 C ATOM 1184 CG ASN A 74 -13.722 -5.939 -21.641 1.00 55.00 C ATOM 1185 OD1 ASN A 74 -12.882 -5.041 -21.534 1.00 61.00 O ATOM 1186 ND2 ASN A 74 -14.597 -6.168 -20.708 1.00 12.00 N ATOM 0 H ASN A 74 -12.044 -8.823 -24.546 1.00 61.00 H new ATOM 0 HA ASN A 74 -11.992 -6.073 -23.735 1.00 12.00 H new ATOM 0 HB2 ASN A 74 -14.411 -6.406 -23.636 1.00 53.00 H new ATOM 0 HB3 ASN A 74 -14.197 -7.811 -22.611 1.00 53.00 H new ATOM 0 HD21 ASN A 74 -14.601 -5.599 -19.861 1.00 12.00 H new ATOM 0 HD22 ASN A 74 -15.280 -6.917 -20.822 1.00 12.00 H new ATOM 1193 N CYS A 75 -10.213 -7.486 -22.615 1.00 22.00 N ATOM 1194 CA CYS A 75 -9.217 -7.973 -21.710 1.00 22.00 C ATOM 1195 C CYS A 75 -8.206 -6.919 -21.543 1.00 12.00 C ATOM 1196 O CYS A 75 -7.746 -6.336 -22.529 1.00 62.00 O ATOM 1197 CB CYS A 75 -8.567 -9.270 -22.189 1.00 43.00 C ATOM 1198 SG CYS A 75 -9.617 -10.737 -22.019 1.00 31.00 S ATOM 0 H CYS A 75 -9.835 -6.934 -23.385 1.00 22.00 H new ATOM 0 HA CYS A 75 -9.694 -8.211 -20.759 1.00 22.00 H new ATOM 0 HB2 CYS A 75 -8.287 -9.157 -23.236 1.00 43.00 H new ATOM 0 HB3 CYS A 75 -7.646 -9.430 -21.628 1.00 43.00 H new ATOM 1203 N GLN A 76 -7.858 -6.670 -20.333 1.00 23.00 N ATOM 1204 CA GLN A 76 -6.969 -5.626 -19.989 1.00 11.00 C ATOM 1205 C GLN A 76 -6.034 -6.173 -19.008 1.00 25.00 C ATOM 1206 O GLN A 76 -6.375 -6.431 -17.869 1.00 14.00 O ATOM 1207 CB GLN A 76 -7.698 -4.386 -19.498 1.00 0.00 C ATOM 1208 CG GLN A 76 -8.468 -3.694 -20.611 1.00 73.00 C ATOM 1209 CD GLN A 76 -9.175 -2.444 -20.147 1.00 25.00 C ATOM 1210 OE1 GLN A 76 -10.330 -2.482 -19.726 1.00 43.00 O ATOM 1211 NE2 GLN A 76 -8.489 -1.329 -20.201 1.00 42.00 N ATOM 0 H GLN A 76 -8.195 -7.204 -19.532 1.00 23.00 H new ATOM 0 HA GLN A 76 -6.422 -5.279 -20.866 1.00 11.00 H new ATOM 0 HB2 GLN A 76 -8.387 -4.664 -18.700 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.978 -3.689 -19.069 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.780 -3.438 -21.417 1.00 73.00 H new ATOM 0 HG3 GLN A 76 -9.200 -4.387 -21.025 1.00 73.00 H new ATOM 0 HE21 GLN A 76 -7.533 -1.335 -20.556 1.00 42.00 H new ATOM 0 HE22 GLN A 76 -8.911 -0.455 -19.888 1.00 42.00 H new ATOM 1220 N LEU A 77 -4.882 -6.372 -19.475 1.00 15.00 N ATOM 1221 CA LEU A 77 -3.889 -7.133 -18.816 1.00 23.00 C ATOM 1222 C LEU A 77 -3.291 -6.405 -17.607 1.00 2.00 C ATOM 1223 O LEU A 77 -3.077 -5.197 -17.656 1.00 21.00 O ATOM 1224 CB LEU A 77 -2.823 -7.497 -19.861 1.00 63.00 C ATOM 1225 CG LEU A 77 -1.559 -8.223 -19.402 1.00 23.00 C ATOM 1226 CD1 LEU A 77 -1.899 -9.467 -18.636 1.00 34.00 C ATOM 1227 CD2 LEU A 77 -0.714 -8.562 -20.614 1.00 14.00 C ATOM 0 H LEU A 77 -4.576 -5.996 -20.372 1.00 15.00 H new ATOM 0 HA LEU A 77 -4.334 -8.037 -18.400 1.00 23.00 H new ATOM 0 HB2 LEU A 77 -3.302 -8.116 -20.619 1.00 63.00 H new ATOM 0 HB3 LEU A 77 -2.514 -6.574 -20.352 1.00 63.00 H new ATOM 0 HG LEU A 77 -0.997 -7.569 -18.735 1.00 23.00 H new ATOM 0 HD11 LEU A 77 -0.981 -9.963 -18.322 1.00 34.00 H new ATOM 0 HD12 LEU A 77 -2.488 -9.204 -17.757 1.00 34.00 H new ATOM 0 HD13 LEU A 77 -2.476 -10.139 -19.271 1.00 34.00 H new ATOM 0 HD21 LEU A 77 0.190 -9.080 -20.294 1.00 14.00 H new ATOM 0 HD22 LEU A 77 -1.283 -9.205 -21.286 1.00 14.00 H new ATOM 0 HD23 LEU A 77 -0.441 -7.645 -21.135 1.00 14.00 H new ATOM 1239 N GLN A 78 -3.062 -7.140 -16.502 1.00 42.00 N ATOM 1240 CA GLN A 78 -2.380 -6.548 -15.372 1.00 53.00 C ATOM 1241 C GLN A 78 -0.902 -6.413 -15.706 1.00 34.00 C ATOM 1242 O GLN A 78 -0.331 -5.330 -15.614 1.00 30.00 O ATOM 1243 CB GLN A 78 -2.632 -7.325 -14.059 1.00 52.00 C ATOM 1244 CG GLN A 78 -2.154 -8.759 -14.027 1.00 2.00 C ATOM 1245 CD GLN A 78 -2.498 -9.452 -12.723 1.00 64.00 C ATOM 1246 OE1 GLN A 78 -3.515 -9.155 -12.100 1.00 61.00 O ATOM 1247 NE2 GLN A 78 -1.646 -10.340 -12.285 1.00 32.00 N ATOM 0 H GLN A 78 -3.336 -8.115 -16.383 1.00 42.00 H new ATOM 0 HA GLN A 78 -2.787 -5.554 -15.189 1.00 53.00 H new ATOM 0 HB2 GLN A 78 -2.150 -6.785 -13.244 1.00 52.00 H new ATOM 0 HB3 GLN A 78 -3.703 -7.317 -13.857 1.00 52.00 H new ATOM 0 HG2 GLN A 78 -2.601 -9.307 -14.856 1.00 2.00 H new ATOM 0 HG3 GLN A 78 -1.074 -8.783 -14.175 1.00 2.00 H new ATOM 0 HE21 GLN A 78 -0.813 -10.560 -12.831 1.00 32.00 H new ATOM 0 HE22 GLN A 78 -1.814 -10.814 -11.397 1.00 32.00 H new ATOM 1256 N ASN A 79 -0.323 -7.522 -16.133 1.00 72.00 N ATOM 1257 CA ASN A 79 1.028 -7.654 -16.614 1.00 74.00 C ATOM 1258 C ASN A 79 1.199 -9.133 -16.721 1.00 20.00 C ATOM 1259 O ASN A 79 0.699 -9.849 -15.852 1.00 31.00 O ATOM 1260 CB ASN A 79 2.074 -7.101 -15.642 1.00 21.00 C ATOM 1261 CG ASN A 79 3.397 -6.877 -16.336 1.00 4.00 C ATOM 1262 OD1 ASN A 79 4.237 -7.767 -16.421 1.00 52.00 O ATOM 1263 ND2 ASN A 79 3.577 -5.698 -16.861 1.00 31.00 N ATOM 0 H ASN A 79 -0.824 -8.410 -16.151 1.00 72.00 H new ATOM 0 HA ASN A 79 1.173 -7.098 -17.540 1.00 74.00 H new ATOM 0 HB2 ASN A 79 1.719 -6.162 -15.217 1.00 21.00 H new ATOM 0 HB3 ASN A 79 2.208 -7.796 -14.813 1.00 21.00 H new ATOM 0 HD21 ASN A 79 4.440 -5.490 -17.364 1.00 31.00 H new ATOM 0 HD22 ASN A 79 2.855 -4.983 -16.769 1.00 31.00 H new ATOM 1270 N PRO A 80 1.806 -9.652 -17.770 1.00 53.00 N ATOM 1271 CA PRO A 80 1.888 -11.084 -17.948 1.00 23.00 C ATOM 1272 C PRO A 80 2.946 -11.792 -17.073 1.00 0.00 C ATOM 1273 O PRO A 80 3.097 -13.013 -17.149 1.00 44.00 O ATOM 1274 CB PRO A 80 2.190 -11.240 -19.430 1.00 11.00 C ATOM 1275 CG PRO A 80 2.965 -10.019 -19.774 1.00 24.00 C ATOM 1276 CD PRO A 80 2.407 -8.922 -18.912 1.00 61.00 C ATOM 0 HA PRO A 80 0.963 -11.565 -17.629 1.00 23.00 H new ATOM 0 HB2 PRO A 80 2.765 -12.145 -19.626 1.00 11.00 H new ATOM 0 HB3 PRO A 80 1.275 -11.310 -20.018 1.00 11.00 H new ATOM 0 HG2 PRO A 80 4.028 -10.164 -19.582 1.00 24.00 H new ATOM 0 HG3 PRO A 80 2.862 -9.776 -20.832 1.00 24.00 H new ATOM 0 HD2 PRO A 80 3.186 -8.234 -18.583 1.00 61.00 H new ATOM 0 HD3 PRO A 80 1.664 -8.330 -19.446 1.00 61.00 H new ATOM 1284 N GLN A 81 3.660 -11.042 -16.235 1.00 52.00 N ATOM 1285 CA GLN A 81 4.689 -11.632 -15.398 1.00 73.00 C ATOM 1286 C GLN A 81 4.102 -12.475 -14.258 1.00 64.00 C ATOM 1287 O GLN A 81 3.854 -12.016 -13.143 1.00 14.00 O ATOM 1288 CB GLN A 81 5.704 -10.613 -14.885 1.00 70.00 C ATOM 1289 CG GLN A 81 5.093 -9.531 -14.045 1.00 62.00 C ATOM 1290 CD GLN A 81 6.121 -8.618 -13.436 1.00 1.00 C ATOM 1291 OE1 GLN A 81 6.512 -7.600 -14.025 1.00 73.00 O ATOM 1292 NE2 GLN A 81 6.576 -8.958 -12.266 1.00 3.00 N ATOM 0 H GLN A 81 3.543 -10.035 -16.122 1.00 52.00 H new ATOM 0 HA GLN A 81 5.241 -12.311 -16.048 1.00 73.00 H new ATOM 0 HB2 GLN A 81 6.463 -11.131 -14.300 1.00 70.00 H new ATOM 0 HB3 GLN A 81 6.212 -10.159 -15.735 1.00 70.00 H new ATOM 0 HG2 GLN A 81 4.409 -8.944 -14.658 1.00 62.00 H new ATOM 0 HG3 GLN A 81 4.500 -9.985 -13.251 1.00 62.00 H new ATOM 0 HE21 GLN A 81 6.231 -9.803 -11.811 1.00 3.00 H new ATOM 0 HE22 GLN A 81 7.278 -8.380 -11.804 1.00 3.00 H new