USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -1.28 K(o=-0.8,f=-2!) USER MOD Set 1.2: A 96 THR OG1 : rot 175:sc= 0.484 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 SER OG : rot 101:sc= -1.29! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -1.7! C(o=-3!,f=-7.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.295 F(o=-1.6,f=-0.29) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 109:sc= 0.693 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.959 USER MOD Single : A 33 TYR OH : rot 51:sc= 1.19 USER MOD Single : A 34 SER OG : rot -56:sc= 1.13 USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 37 SER OG : rot 21:sc= 0.839 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -7.45! C(o=-8.8!,f=-7.5!) 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 47 SER OG : rot -92:sc= 0.672 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 64:sc= 0.861 USER MOD Single : A 56 SER OG : rot 180:sc= 0.397 USER MOD Single : A 57 MET CE :methyl 173:sc= -0.922 (180deg=-1.01) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.375 F(o=-1.6,f=-0.38) USER MOD Single : A 68 SER OG : rot -15:sc= -0.284! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00428 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.289 F(o=-1.7,f=-0.29) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 165:sc= -1.97! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 77:sc= 1.85 USER MOD Single : A 97 TYR OH : rot -113:sc= -0.679 USER MOD Single : A 100 ASN : amide:sc= -5.22! C(o=-5.2!,f=-6.6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.012) USER MOD Single : A 109 SER OG : rot -140:sc= -6.51! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 140:sc= -0.563 USER MOD Single : A 125 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 33.700 4.512 -1.619 1.00 0.00 N ATOM 2 CA ARG A 7 32.809 5.660 -1.719 1.00 0.00 C ATOM 3 C ARG A 7 31.348 5.238 -1.601 1.00 0.00 C ATOM 4 O ARG A 7 30.767 4.703 -2.546 1.00 0.00 O ATOM 5 CB ARG A 7 33.037 6.388 -3.043 1.00 0.00 C ATOM 6 CG ARG A 7 33.834 7.673 -2.895 1.00 0.00 C ATOM 7 CD ARG A 7 34.067 8.339 -4.238 1.00 0.00 C ATOM 8 NE ARG A 7 35.456 8.224 -4.673 1.00 0.00 N ATOM 9 CZ ARG A 7 35.922 8.751 -5.800 1.00 0.00 C ATOM 10 NH1 ARG A 7 35.113 9.428 -6.604 1.00 0.00 N ATOM 11 NH2 ARG A 7 37.199 8.602 -6.125 1.00 0.00 N ATOM 0 HA ARG A 7 33.035 6.335 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 7 33.559 5.722 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.072 6.618 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 7 33.302 8.358 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 7 34.793 7.456 -2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 7 33.415 7.886 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 7 33.794 9.392 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 7 36.105 7.710 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 7 34.130 9.545 -6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 7 35.474 9.831 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 7 37.825 8.082 -5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 7 37.556 9.007 -6.991 1.00 0.00 H new ATOM 25 N ARG A 8 30.767 5.471 -0.427 1.00 0.00 N ATOM 26 CA ARG A 8 29.371 5.159 -0.177 1.00 0.00 C ATOM 27 C ARG A 8 28.990 3.776 -0.700 1.00 0.00 C ATOM 28 O ARG A 8 29.845 2.991 -1.111 1.00 0.00 O ATOM 29 CB ARG A 8 28.483 6.221 -0.818 1.00 0.00 C ATOM 30 CG ARG A 8 29.089 7.617 -0.823 1.00 0.00 C ATOM 31 CD ARG A 8 28.014 8.690 -0.750 1.00 0.00 C ATOM 32 NE ARG A 8 27.908 9.443 -1.996 1.00 0.00 N ATOM 33 CZ ARG A 8 27.189 10.553 -2.126 1.00 0.00 C ATOM 34 NH1 ARG A 8 27.142 11.181 -3.293 1.00 0.00 N ATOM 35 NH2 ARG A 8 26.517 11.036 -1.090 1.00 0.00 N ATOM 0 H ARG A 8 31.252 5.880 0.372 1.00 0.00 H new ATOM 0 HA ARG A 8 29.221 5.153 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.267 5.927 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.531 6.252 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.769 7.723 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.681 7.755 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.054 8.226 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 8 28.239 9.374 0.069 1.00 0.00 H new ATOM 0 HE ARG A 8 28.414 9.098 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 8 27.658 10.812 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 8 26.590 12.033 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.551 10.555 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 8 25.966 11.888 -1.192 1.00 0.00 H new ATOM 49 N CYS A 9 27.695 3.486 -0.660 1.00 0.00 N ATOM 50 CA CYS A 9 27.164 2.213 -1.126 1.00 0.00 C ATOM 51 C CYS A 9 26.711 2.345 -2.584 1.00 0.00 C ATOM 52 O CYS A 9 26.848 3.417 -3.173 1.00 0.00 O ATOM 53 CB CYS A 9 26.011 1.796 -0.207 1.00 0.00 C ATOM 54 SG CYS A 9 26.544 1.301 1.463 1.00 0.00 S ATOM 0 H CYS A 9 26.985 4.126 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 9 27.932 1.440 -1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.308 2.625 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.473 0.967 -0.667 1.00 0.00 H new ATOM 59 N PRO A 10 26.232 1.258 -3.222 1.00 0.00 N ATOM 60 CA PRO A 10 25.791 1.291 -4.603 1.00 0.00 C ATOM 61 C PRO A 10 24.306 1.598 -4.719 1.00 0.00 C ATOM 62 O PRO A 10 23.620 1.769 -3.713 1.00 0.00 O ATOM 63 CB PRO A 10 26.082 -0.131 -5.087 1.00 0.00 C ATOM 64 CG PRO A 10 26.174 -0.978 -3.850 1.00 0.00 C ATOM 65 CD PRO A 10 26.008 -0.071 -2.659 1.00 0.00 C ATOM 0 HA PRO A 10 26.290 2.068 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.291 -0.488 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.012 -0.167 -5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.402 -1.747 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.135 -1.491 -3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.015 -0.160 -2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.727 -0.302 -1.873 1.00 0.00 H new ATOM 73 N SER A 11 23.811 1.651 -5.949 1.00 0.00 N ATOM 74 CA SER A 11 22.401 1.926 -6.188 1.00 0.00 C ATOM 75 C SER A 11 21.524 0.987 -5.363 1.00 0.00 C ATOM 76 O SER A 11 21.412 -0.199 -5.673 1.00 0.00 O ATOM 77 CB SER A 11 22.074 1.773 -7.674 1.00 0.00 C ATOM 78 OG SER A 11 20.705 1.467 -7.867 1.00 0.00 O ATOM 0 H SER A 11 24.364 1.508 -6.794 1.00 0.00 H new ATOM 0 HA SER A 11 22.197 2.953 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.321 2.695 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.690 0.984 -8.106 1.00 0.00 H new ATOM 0 HG SER A 11 20.522 1.376 -8.825 1.00 0.00 H new ATOM 84 N PRO A 12 20.905 1.497 -4.282 1.00 0.00 N ATOM 85 CA PRO A 12 20.051 0.685 -3.414 1.00 0.00 C ATOM 86 C PRO A 12 19.024 -0.120 -4.199 1.00 0.00 C ATOM 87 O PRO A 12 18.634 0.259 -5.303 1.00 0.00 O ATOM 88 CB PRO A 12 19.362 1.715 -2.526 1.00 0.00 C ATOM 89 CG PRO A 12 20.302 2.869 -2.485 1.00 0.00 C ATOM 90 CD PRO A 12 20.980 2.899 -3.827 1.00 0.00 C ATOM 0 HA PRO A 12 20.625 -0.057 -2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.395 2.007 -2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.179 1.318 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.768 3.801 -2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.030 2.751 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.473 3.573 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.012 3.241 -3.748 1.00 0.00 H new ATOM 98 N ARG A 13 18.601 -1.243 -3.628 1.00 0.00 N ATOM 99 CA ARG A 13 17.606 -2.092 -4.268 1.00 0.00 C ATOM 100 C ARG A 13 16.297 -1.338 -4.413 1.00 0.00 C ATOM 101 O ARG A 13 16.131 -0.261 -3.844 1.00 0.00 O ATOM 102 CB ARG A 13 17.391 -3.373 -3.458 1.00 0.00 C ATOM 103 CG ARG A 13 17.477 -4.641 -4.293 1.00 0.00 C ATOM 104 CD ARG A 13 18.045 -5.802 -3.492 1.00 0.00 C ATOM 105 NE ARG A 13 17.452 -7.078 -3.882 1.00 0.00 N ATOM 106 CZ ARG A 13 18.001 -8.259 -3.613 1.00 0.00 C ATOM 107 NH1 ARG A 13 19.150 -8.324 -2.954 1.00 0.00 N ATOM 108 NH2 ARG A 13 17.402 -9.376 -4.003 1.00 0.00 N ATOM 0 H ARG A 13 18.931 -1.585 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 13 17.969 -2.368 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.135 -3.420 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.414 -3.330 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.485 -4.903 -4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.103 -4.460 -5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.125 -5.846 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.869 -5.630 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 13 16.567 -7.063 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.614 -7.467 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.570 -9.231 -2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.518 -9.330 -4.510 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.825 -10.281 -3.796 1.00 0.00 H new ATOM 122 N ASP A 14 15.376 -1.894 -5.183 1.00 0.00 N ATOM 123 CA ASP A 14 14.103 -1.235 -5.418 1.00 0.00 C ATOM 124 C ASP A 14 12.935 -2.072 -4.921 1.00 0.00 C ATOM 125 O ASP A 14 13.117 -3.123 -4.307 1.00 0.00 O ATOM 126 CB ASP A 14 13.935 -0.940 -6.905 1.00 0.00 C ATOM 127 CG ASP A 14 13.484 0.483 -7.168 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.623 0.946 -8.319 1.00 0.00 O ATOM 129 OD2 ASP A 14 12.991 1.134 -6.223 1.00 0.00 O ATOM 0 H ASP A 14 15.485 -2.793 -5.652 1.00 0.00 H new ATOM 0 HA ASP A 14 14.105 -0.300 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.881 -1.118 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.208 -1.632 -7.329 1.00 0.00 H new ATOM 134 N ILE A 15 11.733 -1.584 -5.191 1.00 0.00 N ATOM 135 CA ILE A 15 10.510 -2.260 -4.779 1.00 0.00 C ATOM 136 C ILE A 15 9.418 -2.064 -5.826 1.00 0.00 C ATOM 137 O ILE A 15 9.287 -0.986 -6.405 1.00 0.00 O ATOM 138 CB ILE A 15 10.023 -1.738 -3.414 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.857 -2.579 -2.893 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.620 -0.279 -3.522 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.692 -2.509 -1.390 1.00 0.00 C ATOM 0 H ILE A 15 11.577 -0.713 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 15 10.730 -3.323 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 15 10.845 -1.822 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.935 -2.244 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.008 -3.618 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.278 0.077 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.477 0.312 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.815 -0.177 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.847 -3.128 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.599 -2.872 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.510 -1.477 -1.092 1.00 0.00 H new ATOM 153 N ASP A 16 8.660 -3.120 -6.093 1.00 0.00 N ATOM 154 CA ASP A 16 7.617 -3.074 -7.112 1.00 0.00 C ATOM 155 C ASP A 16 6.500 -2.109 -6.737 1.00 0.00 C ATOM 156 O ASP A 16 6.375 -1.035 -7.325 1.00 0.00 O ATOM 157 CB ASP A 16 7.041 -4.472 -7.345 1.00 0.00 C ATOM 158 CG ASP A 16 6.041 -4.503 -8.485 1.00 0.00 C ATOM 159 OD1 ASP A 16 5.767 -3.430 -9.063 1.00 0.00 O ATOM 160 OD2 ASP A 16 5.533 -5.599 -8.800 1.00 0.00 O ATOM 0 H ASP A 16 8.747 -4.019 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 16 8.076 -2.712 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.854 -5.166 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.558 -4.820 -6.432 1.00 0.00 H new ATOM 165 N ASN A 17 5.682 -2.500 -5.770 1.00 0.00 N ATOM 166 CA ASN A 17 4.565 -1.668 -5.339 1.00 0.00 C ATOM 167 C ASN A 17 4.987 -0.733 -4.217 1.00 0.00 C ATOM 168 O ASN A 17 4.277 -0.576 -3.223 1.00 0.00 O ATOM 169 CB ASN A 17 3.393 -2.543 -4.888 1.00 0.00 C ATOM 170 CG ASN A 17 3.237 -3.784 -5.746 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.556 -3.660 -7.031 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 2.849 -4.845 -5.258 1.00 0.00 N flip ATOM 0 H ASN A 17 5.769 -3.385 -5.270 1.00 0.00 H new ATOM 0 HA ASN A 17 4.245 -1.062 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.542 -2.839 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.472 -1.961 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.615 -4.895 -4.266 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.762 -5.675 -5.845 1.00 0.00 H new ATOM 179 N GLY A 18 6.140 -0.097 -4.391 1.00 0.00 N ATOM 180 CA GLY A 18 6.630 0.822 -3.381 1.00 0.00 C ATOM 181 C GLY A 18 7.607 1.845 -3.925 1.00 0.00 C ATOM 182 O GLY A 18 8.036 1.758 -5.075 1.00 0.00 O ATOM 0 H GLY A 18 6.741 -0.200 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.784 1.341 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.114 0.254 -2.587 1.00 0.00 H new ATOM 186 N GLN A 19 7.961 2.814 -3.086 1.00 0.00 N ATOM 187 CA GLN A 19 8.904 3.859 -3.466 1.00 0.00 C ATOM 188 C GLN A 19 9.943 4.061 -2.368 1.00 0.00 C ATOM 189 O GLN A 19 9.601 4.182 -1.192 1.00 0.00 O ATOM 190 CB GLN A 19 8.166 5.172 -3.739 1.00 0.00 C ATOM 191 CG GLN A 19 6.797 4.981 -4.372 1.00 0.00 C ATOM 192 CD GLN A 19 6.545 5.938 -5.521 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.242 5.519 -6.638 1.00 0.00 O ATOM 194 NE2 GLN A 19 6.667 7.232 -5.251 1.00 0.00 N ATOM 0 H GLN A 19 7.606 2.897 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 19 9.413 3.548 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.051 5.716 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.777 5.793 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.707 3.956 -4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.027 5.121 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.920 7.535 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.508 7.923 -5.984 1.00 0.00 H new ATOM 203 N LEU A 20 11.214 4.082 -2.755 1.00 0.00 N ATOM 204 CA LEU A 20 12.299 4.242 -1.795 1.00 0.00 C ATOM 205 C LEU A 20 12.463 5.693 -1.366 1.00 0.00 C ATOM 206 O LEU A 20 11.948 6.609 -2.007 1.00 0.00 O ATOM 207 CB LEU A 20 13.617 3.754 -2.384 1.00 0.00 C ATOM 208 CG LEU A 20 13.503 2.659 -3.438 1.00 0.00 C ATOM 209 CD1 LEU A 20 14.873 2.081 -3.720 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.548 1.569 -2.982 1.00 0.00 C ATOM 0 H LEU A 20 11.517 3.990 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 20 12.038 3.644 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.134 4.606 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.244 3.387 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 20 13.103 3.093 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.789 1.298 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.532 2.868 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.286 1.659 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.482 0.798 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.915 1.128 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.560 1.998 -2.813 1.00 0.00 H new ATOM 222 N ASP A 21 13.230 5.888 -0.302 1.00 0.00 N ATOM 223 CA ASP A 21 13.537 7.220 0.199 1.00 0.00 C ATOM 224 C ASP A 21 15.021 7.312 0.533 1.00 0.00 C ATOM 225 O ASP A 21 15.409 7.270 1.701 1.00 0.00 O ATOM 226 CB ASP A 21 12.697 7.538 1.436 1.00 0.00 C ATOM 227 CG ASP A 21 12.275 8.993 1.490 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.319 9.361 0.775 1.00 0.00 O ATOM 229 OD2 ASP A 21 12.902 9.765 2.246 1.00 0.00 O ATOM 0 H ASP A 21 13.655 5.132 0.235 1.00 0.00 H new ATOM 0 HA ASP A 21 13.296 7.950 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.810 6.905 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.268 7.295 2.332 1.00 0.00 H new ATOM 234 N ILE A 22 15.849 7.374 -0.507 1.00 0.00 N ATOM 235 CA ILE A 22 17.297 7.423 -0.335 1.00 0.00 C ATOM 236 C ILE A 22 17.751 8.770 0.217 1.00 0.00 C ATOM 237 O ILE A 22 18.021 9.704 -0.539 1.00 0.00 O ATOM 238 CB ILE A 22 18.034 7.149 -1.664 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.620 5.790 -2.237 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.542 7.200 -1.459 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.363 5.411 -3.499 1.00 0.00 C ATOM 0 H ILE A 22 15.540 7.391 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 22 17.550 6.642 0.382 1.00 0.00 H new ATOM 0 HB ILE A 22 17.755 7.925 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.787 5.021 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.550 5.804 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.045 7.005 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.826 8.187 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.836 6.445 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.017 4.437 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.176 6.159 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.432 5.363 -3.291 1.00 0.00 H new ATOM 253 N GLY A 23 17.859 8.854 1.539 1.00 0.00 N ATOM 254 CA GLY A 23 18.320 10.077 2.169 1.00 0.00 C ATOM 255 C GLY A 23 19.800 10.026 2.504 1.00 0.00 C ATOM 256 O GLY A 23 20.285 10.806 3.324 1.00 0.00 O ATOM 0 H GLY A 23 17.635 8.097 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.128 10.920 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.749 10.252 3.081 1.00 0.00 H new ATOM 260 N GLY A 24 20.517 9.104 1.866 1.00 0.00 N ATOM 261 CA GLY A 24 21.940 8.957 2.113 1.00 0.00 C ATOM 262 C GLY A 24 22.443 7.583 1.718 1.00 0.00 C ATOM 263 O GLY A 24 21.856 6.572 2.101 1.00 0.00 O ATOM 0 H GLY A 24 20.135 8.454 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.486 9.718 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.145 9.129 3.170 1.00 0.00 H new ATOM 267 N VAL A 25 23.518 7.542 0.935 1.00 0.00 N ATOM 268 CA VAL A 25 24.071 6.275 0.467 1.00 0.00 C ATOM 269 C VAL A 25 25.475 6.016 1.015 1.00 0.00 C ATOM 270 O VAL A 25 26.083 4.991 0.709 1.00 0.00 O ATOM 271 CB VAL A 25 24.123 6.224 -1.072 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.730 6.384 -1.660 1.00 0.00 C ATOM 273 CG2 VAL A 25 25.063 7.292 -1.610 1.00 0.00 C ATOM 0 H VAL A 25 24.022 8.368 0.612 1.00 0.00 H new ATOM 0 HA VAL A 25 23.403 5.499 0.840 1.00 0.00 H new ATOM 0 HB VAL A 25 24.508 5.249 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.788 6.345 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.089 5.578 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.313 7.343 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.087 7.241 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.711 8.276 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 25 26.066 7.126 -1.217 1.00 0.00 H new ATOM 283 N ASP A 26 25.987 6.934 1.833 1.00 0.00 N ATOM 284 CA ASP A 26 27.322 6.777 2.402 1.00 0.00 C ATOM 285 C ASP A 26 27.353 5.646 3.422 1.00 0.00 C ATOM 286 O ASP A 26 26.336 5.317 4.033 1.00 0.00 O ATOM 287 CB ASP A 26 27.789 8.079 3.057 1.00 0.00 C ATOM 288 CG ASP A 26 26.696 8.754 3.862 1.00 0.00 C ATOM 289 OD1 ASP A 26 26.855 8.873 5.095 1.00 0.00 O ATOM 290 OD2 ASP A 26 25.681 9.163 3.260 1.00 0.00 O ATOM 0 H ASP A 26 25.502 7.786 2.114 1.00 0.00 H new ATOM 0 HA ASP A 26 28.001 6.528 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.637 7.869 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.141 8.763 2.285 1.00 0.00 H new ATOM 295 N PHE A 27 28.528 5.051 3.599 1.00 0.00 N ATOM 296 CA PHE A 27 28.695 3.954 4.544 1.00 0.00 C ATOM 297 C PHE A 27 28.126 4.320 5.909 1.00 0.00 C ATOM 298 O PHE A 27 28.710 5.115 6.644 1.00 0.00 O ATOM 299 CB PHE A 27 30.173 3.587 4.679 1.00 0.00 C ATOM 300 CG PHE A 27 30.432 2.519 5.703 1.00 0.00 C ATOM 301 CD1 PHE A 27 29.581 1.430 5.821 1.00 0.00 C ATOM 302 CD2 PHE A 27 31.524 2.606 6.550 1.00 0.00 C ATOM 303 CE1 PHE A 27 29.818 0.448 6.765 1.00 0.00 C ATOM 304 CE2 PHE A 27 31.766 1.628 7.495 1.00 0.00 C ATOM 305 CZ PHE A 27 30.912 0.548 7.602 1.00 0.00 C ATOM 0 H PHE A 27 29.379 5.311 3.100 1.00 0.00 H new ATOM 0 HA PHE A 27 28.148 3.093 4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.546 3.250 3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.738 4.480 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 27 28.724 1.348 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 27 32.195 3.449 6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 27 29.149 -0.396 6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 27 32.622 1.708 8.149 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.100 -0.218 8.340 1.00 0.00 H new ATOM 315 N GLY A 28 26.983 3.733 6.239 1.00 0.00 N ATOM 316 CA GLY A 28 26.351 4.007 7.514 1.00 0.00 C ATOM 317 C GLY A 28 25.019 4.724 7.372 1.00 0.00 C ATOM 318 O GLY A 28 24.305 4.914 8.357 1.00 0.00 O ATOM 0 H GLY A 28 26.482 3.072 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.198 3.069 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.021 4.614 8.123 1.00 0.00 H new ATOM 322 N SER A 29 24.682 5.130 6.148 1.00 0.00 N ATOM 323 CA SER A 29 23.427 5.827 5.897 1.00 0.00 C ATOM 324 C SER A 29 22.245 4.872 6.012 1.00 0.00 C ATOM 325 O SER A 29 22.401 3.723 6.426 1.00 0.00 O ATOM 326 CB SER A 29 23.445 6.465 4.507 1.00 0.00 C ATOM 327 OG SER A 29 23.514 5.476 3.494 1.00 0.00 O ATOM 0 H SER A 29 25.260 4.988 5.320 1.00 0.00 H new ATOM 0 HA SER A 29 23.316 6.609 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.549 7.070 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.299 7.137 4.423 1.00 0.00 H new ATOM 0 HG SER A 29 22.654 5.427 3.026 1.00 0.00 H new ATOM 333 N SER A 30 21.065 5.351 5.637 1.00 0.00 N ATOM 334 CA SER A 30 19.860 4.535 5.694 1.00 0.00 C ATOM 335 C SER A 30 18.833 5.004 4.670 1.00 0.00 C ATOM 336 O SER A 30 18.846 6.159 4.244 1.00 0.00 O ATOM 337 CB SER A 30 19.254 4.576 7.098 1.00 0.00 C ATOM 338 OG SER A 30 19.330 5.879 7.650 1.00 0.00 O ATOM 0 H SER A 30 20.918 6.299 5.291 1.00 0.00 H new ATOM 0 HA SER A 30 20.138 3.508 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.213 4.255 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.779 3.873 7.745 1.00 0.00 H new ATOM 0 HG SER A 30 18.934 5.878 8.547 1.00 0.00 H new ATOM 344 N ILE A 31 17.946 4.096 4.279 1.00 0.00 N ATOM 345 CA ILE A 31 16.907 4.406 3.301 1.00 0.00 C ATOM 346 C ILE A 31 15.525 4.204 3.909 1.00 0.00 C ATOM 347 O ILE A 31 15.392 3.611 4.978 1.00 0.00 O ATOM 348 CB ILE A 31 17.014 3.531 2.027 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.402 2.899 1.888 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.700 4.357 0.794 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.536 2.021 0.666 1.00 0.00 C ATOM 0 H ILE A 31 17.925 3.137 4.625 1.00 0.00 H new ATOM 0 HA ILE A 31 17.052 5.449 3.018 1.00 0.00 H new ATOM 0 HB ILE A 31 16.285 2.726 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.151 3.689 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.615 2.307 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.779 3.730 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.687 4.753 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.408 5.183 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.542 1.604 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.809 1.210 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.353 2.614 -0.230 1.00 0.00 H new ATOM 363 N THR A 32 14.497 4.681 3.216 1.00 0.00 N ATOM 364 CA THR A 32 13.129 4.527 3.691 1.00 0.00 C ATOM 365 C THR A 32 12.237 3.941 2.604 1.00 0.00 C ATOM 366 O THR A 32 11.951 4.594 1.600 1.00 0.00 O ATOM 367 CB THR A 32 12.572 5.873 4.159 1.00 0.00 C ATOM 368 OG1 THR A 32 13.623 6.786 4.422 1.00 0.00 O ATOM 369 CG2 THR A 32 11.727 5.767 5.408 1.00 0.00 C ATOM 0 H THR A 32 14.585 5.175 2.328 1.00 0.00 H new ATOM 0 HA THR A 32 13.141 3.837 4.534 1.00 0.00 H new ATOM 0 HB THR A 32 11.940 6.226 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.247 7.641 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.363 6.756 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.879 5.108 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.328 5.360 6.221 1.00 0.00 H new ATOM 377 N TYR A 33 11.799 2.703 2.813 1.00 0.00 N ATOM 378 CA TYR A 33 10.945 2.024 1.848 1.00 0.00 C ATOM 379 C TYR A 33 9.475 2.307 2.119 1.00 0.00 C ATOM 380 O TYR A 33 9.019 2.258 3.262 1.00 0.00 O ATOM 381 CB TYR A 33 11.204 0.519 1.882 1.00 0.00 C ATOM 382 CG TYR A 33 12.378 0.106 1.035 1.00 0.00 C ATOM 383 CD1 TYR A 33 12.187 -0.394 -0.244 1.00 0.00 C ATOM 384 CD2 TYR A 33 13.676 0.244 1.504 1.00 0.00 C ATOM 385 CE1 TYR A 33 13.259 -0.763 -1.032 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.756 -0.123 0.724 1.00 0.00 C ATOM 387 CZ TYR A 33 14.542 -0.628 -0.542 1.00 0.00 C ATOM 388 OH TYR A 33 15.614 -0.995 -1.323 1.00 0.00 O ATOM 0 H TYR A 33 12.022 2.151 3.641 1.00 0.00 H new ATOM 0 HA TYR A 33 11.187 2.407 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.379 0.209 2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.312 -0.006 1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.184 -0.496 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.845 0.644 2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.095 -1.155 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.762 -0.015 1.103 1.00 0.00 H new ATOM 0 HH TYR A 33 15.537 -0.572 -2.204 1.00 0.00 H new ATOM 398 N SER A 34 8.740 2.607 1.056 1.00 0.00 N ATOM 399 CA SER A 34 7.316 2.899 1.168 1.00 0.00 C ATOM 400 C SER A 34 6.541 2.242 0.034 1.00 0.00 C ATOM 401 O SER A 34 7.129 1.762 -0.933 1.00 0.00 O ATOM 402 CB SER A 34 7.080 4.411 1.155 1.00 0.00 C ATOM 403 OG SER A 34 7.116 4.922 -0.167 1.00 0.00 O ATOM 0 H SER A 34 9.106 2.655 0.105 1.00 0.00 H new ATOM 0 HA SER A 34 6.959 2.493 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.115 4.635 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.839 4.906 1.760 1.00 0.00 H new ATOM 0 HG SER A 34 7.967 4.679 -0.588 1.00 0.00 H new ATOM 409 N CYS A 35 5.219 2.224 0.158 1.00 0.00 N ATOM 410 CA CYS A 35 4.366 1.625 -0.858 1.00 0.00 C ATOM 411 C CYS A 35 4.004 2.645 -1.934 1.00 0.00 C ATOM 412 O CYS A 35 4.155 3.850 -1.733 1.00 0.00 O ATOM 413 CB CYS A 35 3.101 1.065 -0.213 1.00 0.00 C ATOM 414 SG CYS A 35 3.235 -0.683 0.284 1.00 0.00 S ATOM 0 H CYS A 35 4.716 2.618 0.953 1.00 0.00 H new ATOM 0 HA CYS A 35 4.914 0.811 -1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.857 1.664 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.271 1.171 -0.912 1.00 0.00 H new ATOM 419 N ASN A 36 3.540 2.157 -3.082 1.00 0.00 N ATOM 420 CA ASN A 36 3.174 3.033 -4.191 1.00 0.00 C ATOM 421 C ASN A 36 2.082 4.014 -3.779 1.00 0.00 C ATOM 422 O ASN A 36 2.357 5.177 -3.483 1.00 0.00 O ATOM 423 CB ASN A 36 2.703 2.208 -5.392 1.00 0.00 C ATOM 424 CG ASN A 36 3.597 2.386 -6.603 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.673 1.613 -6.659 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 3.322 3.207 -7.478 1.00 0.00 N flip ATOM 0 H ASN A 36 3.409 1.163 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 36 4.061 3.601 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.675 1.154 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.684 2.497 -5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.483 3.781 -7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.933 3.313 -8.288 1.00 0.00 H new ATOM 433 N SER A 37 0.842 3.539 -3.773 1.00 0.00 N ATOM 434 CA SER A 37 -0.295 4.372 -3.403 1.00 0.00 C ATOM 435 C SER A 37 -1.476 3.513 -2.971 1.00 0.00 C ATOM 436 O SER A 37 -1.821 2.537 -3.636 1.00 0.00 O ATOM 437 CB SER A 37 -0.701 5.264 -4.578 1.00 0.00 C ATOM 438 OG SER A 37 0.138 6.402 -4.670 1.00 0.00 O ATOM 0 H SER A 37 0.599 2.580 -4.021 1.00 0.00 H new ATOM 0 HA SER A 37 0.001 5.001 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.649 4.694 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.737 5.581 -4.457 1.00 0.00 H new ATOM 0 HG SER A 37 0.983 6.224 -4.206 1.00 0.00 H new ATOM 444 N GLY A 38 -2.095 3.884 -1.856 1.00 0.00 N ATOM 445 CA GLY A 38 -3.216 3.119 -1.349 1.00 0.00 C ATOM 446 C GLY A 38 -2.826 1.689 -1.038 1.00 0.00 C ATOM 447 O GLY A 38 -3.664 0.791 -1.050 1.00 0.00 O ATOM 0 H GLY A 38 -1.841 4.698 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.603 3.595 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.022 3.125 -2.083 1.00 0.00 H new ATOM 451 N TYR A 39 -1.541 1.482 -0.772 1.00 0.00 N ATOM 452 CA TYR A 39 -1.022 0.157 -0.463 1.00 0.00 C ATOM 453 C TYR A 39 -0.561 0.082 0.988 1.00 0.00 C ATOM 454 O TYR A 39 -0.649 1.061 1.728 1.00 0.00 O ATOM 455 CB TYR A 39 0.149 -0.174 -1.390 1.00 0.00 C ATOM 456 CG TYR A 39 -0.237 -0.984 -2.605 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.404 -0.712 -3.307 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.571 -2.021 -3.052 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.756 -1.453 -4.419 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.227 -2.767 -4.162 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.938 -2.479 -4.842 1.00 0.00 C ATOM 462 OH TYR A 39 -1.284 -3.219 -5.949 1.00 0.00 O ATOM 0 H TYR A 39 -0.837 2.220 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.822 -0.568 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.612 0.756 -1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.902 -0.723 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.047 0.091 -2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.484 -2.248 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.667 -1.230 -4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.866 -3.571 -4.496 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.600 -3.902 -6.113 1.00 0.00 H new ATOM 472 N HIS A 40 -0.057 -1.082 1.387 1.00 0.00 N ATOM 473 CA HIS A 40 0.447 -1.267 2.741 1.00 0.00 C ATOM 474 C HIS A 40 1.739 -2.078 2.727 1.00 0.00 C ATOM 475 O HIS A 40 1.749 -3.248 2.346 1.00 0.00 O ATOM 476 CB HIS A 40 -0.609 -1.939 3.629 1.00 0.00 C ATOM 477 CG HIS A 40 -0.755 -3.413 3.408 1.00 0.00 C ATOM 478 ND1 HIS A 40 -0.856 -4.135 2.267 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -0.825 -4.325 4.441 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -0.979 -5.453 2.629 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -0.958 -5.542 3.945 1.00 0.00 N flip ATOM 0 H HIS A 40 0.013 -1.908 0.793 1.00 0.00 H new ATOM 0 HA HIS A 40 0.665 -0.285 3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.352 -1.764 4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.572 -1.460 3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.778 -4.082 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.077 -6.284 1.946 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.032 -6.403 4.487 1.00 0.00 H new ATOM 490 N LEU A 41 2.831 -1.431 3.113 1.00 0.00 N ATOM 491 CA LEU A 41 4.137 -2.072 3.143 1.00 0.00 C ATOM 492 C LEU A 41 4.276 -2.941 4.384 1.00 0.00 C ATOM 493 O LEU A 41 4.053 -2.481 5.503 1.00 0.00 O ATOM 494 CB LEU A 41 5.240 -1.011 3.116 1.00 0.00 C ATOM 495 CG LEU A 41 6.648 -1.528 3.405 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.686 -0.645 2.729 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.892 -1.593 4.904 1.00 0.00 C ATOM 0 H LEU A 41 2.836 -0.456 3.411 1.00 0.00 H new ATOM 0 HA LEU A 41 4.234 -2.708 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.239 -0.534 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.997 -0.239 3.846 1.00 0.00 H new ATOM 0 HG LEU A 41 6.739 -2.536 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.684 -1.026 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.521 -0.649 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.598 0.374 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.900 -1.963 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.785 -0.597 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.167 -2.265 5.362 1.00 0.00 H new ATOM 509 N ILE A 42 4.626 -4.205 4.180 1.00 0.00 N ATOM 510 CA ILE A 42 4.762 -5.138 5.290 1.00 0.00 C ATOM 511 C ILE A 42 6.221 -5.325 5.683 1.00 0.00 C ATOM 512 O ILE A 42 7.125 -5.154 4.864 1.00 0.00 O ATOM 513 CB ILE A 42 4.147 -6.516 4.969 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.943 -6.368 4.035 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.733 -7.207 6.256 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.895 -5.412 4.557 1.00 0.00 C ATOM 0 H ILE A 42 4.820 -4.605 3.262 1.00 0.00 H new ATOM 0 HA ILE A 42 4.216 -4.698 6.124 1.00 0.00 H new ATOM 0 HB ILE A 42 4.897 -7.123 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.288 -6.021 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.488 -7.347 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.299 -8.180 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.607 -7.342 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.995 -6.596 6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.070 -5.354 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.523 -5.769 5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.335 -4.423 4.683 1.00 0.00 H new ATOM 528 N GLY A 43 6.440 -5.676 6.944 1.00 0.00 N ATOM 529 CA GLY A 43 7.790 -5.877 7.436 1.00 0.00 C ATOM 530 C GLY A 43 8.508 -4.568 7.699 1.00 0.00 C ATOM 531 O GLY A 43 7.891 -3.586 8.114 1.00 0.00 O ATOM 0 H GLY A 43 5.706 -5.825 7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.756 -6.461 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.356 -6.460 6.709 1.00 0.00 H new ATOM 535 N GLU A 44 9.814 -4.551 7.455 1.00 0.00 N ATOM 536 CA GLU A 44 10.612 -3.349 7.658 1.00 0.00 C ATOM 537 C GLU A 44 10.268 -2.292 6.616 1.00 0.00 C ATOM 538 O GLU A 44 9.543 -2.567 5.662 1.00 0.00 O ATOM 539 CB GLU A 44 12.102 -3.684 7.584 1.00 0.00 C ATOM 540 CG GLU A 44 12.453 -4.639 6.455 1.00 0.00 C ATOM 541 CD GLU A 44 12.854 -6.013 6.956 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.253 -6.483 7.944 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.770 -6.618 6.360 1.00 0.00 O ATOM 0 H GLU A 44 10.341 -5.356 7.117 1.00 0.00 H new ATOM 0 HA GLU A 44 10.384 -2.952 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.668 -2.761 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.415 -4.123 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.597 -4.736 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.270 -4.218 5.869 1.00 0.00 H new ATOM 550 N SER A 45 10.802 -1.089 6.799 1.00 0.00 N ATOM 551 CA SER A 45 10.547 0.011 5.883 1.00 0.00 C ATOM 552 C SER A 45 11.755 0.932 5.769 1.00 0.00 C ATOM 553 O SER A 45 11.630 2.081 5.344 1.00 0.00 O ATOM 554 CB SER A 45 9.352 0.814 6.375 1.00 0.00 C ATOM 555 OG SER A 45 9.397 0.985 7.781 1.00 0.00 O ATOM 0 H SER A 45 11.417 -0.853 7.578 1.00 0.00 H new ATOM 0 HA SER A 45 10.342 -0.410 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.339 1.789 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.429 0.306 6.097 1.00 0.00 H new ATOM 0 HG SER A 45 8.619 1.506 8.072 1.00 0.00 H new ATOM 561 N LYS A 46 12.918 0.432 6.158 1.00 0.00 N ATOM 562 CA LYS A 46 14.133 1.228 6.119 1.00 0.00 C ATOM 563 C LYS A 46 15.357 0.365 5.840 1.00 0.00 C ATOM 564 O LYS A 46 15.535 -0.694 6.442 1.00 0.00 O ATOM 565 CB LYS A 46 14.310 1.965 7.446 1.00 0.00 C ATOM 566 CG LYS A 46 14.024 3.453 7.358 1.00 0.00 C ATOM 567 CD LYS A 46 15.263 4.281 7.657 1.00 0.00 C ATOM 568 CE LYS A 46 15.043 5.202 8.846 1.00 0.00 C ATOM 569 NZ LYS A 46 14.358 6.464 8.452 1.00 0.00 N ATOM 0 H LYS A 46 13.045 -0.519 6.503 1.00 0.00 H new ATOM 0 HA LYS A 46 14.038 1.949 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.649 1.520 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.331 1.820 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.656 3.695 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.233 3.714 8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.105 3.619 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.527 4.873 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.448 4.686 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.003 5.438 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.227 7.064 9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.937 6.970 7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.431 6.241 8.038 1.00 0.00 H new ATOM 583 N SER A 47 16.203 0.831 4.928 1.00 0.00 N ATOM 584 CA SER A 47 17.429 0.124 4.587 1.00 0.00 C ATOM 585 C SER A 47 18.622 0.803 5.246 1.00 0.00 C ATOM 586 O SER A 47 18.587 2.000 5.521 1.00 0.00 O ATOM 587 CB SER A 47 17.617 0.083 3.070 1.00 0.00 C ATOM 588 OG SER A 47 17.036 -1.085 2.516 1.00 0.00 O ATOM 0 H SER A 47 16.060 1.698 4.411 1.00 0.00 H new ATOM 0 HA SER A 47 17.356 -0.900 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.164 0.967 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.680 0.113 2.831 1.00 0.00 H new ATOM 0 HG SER A 47 17.712 -1.792 2.462 1.00 0.00 H new ATOM 594 N TYR A 48 19.671 0.037 5.517 1.00 0.00 N ATOM 595 CA TYR A 48 20.852 0.582 6.171 1.00 0.00 C ATOM 596 C TYR A 48 22.114 0.311 5.365 1.00 0.00 C ATOM 597 O TYR A 48 22.459 -0.838 5.090 1.00 0.00 O ATOM 598 CB TYR A 48 20.987 0.010 7.582 1.00 0.00 C ATOM 599 CG TYR A 48 19.657 -0.150 8.279 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.270 -1.370 8.817 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.772 0.916 8.366 1.00 0.00 C ATOM 602 CE1 TYR A 48 18.047 -1.517 9.442 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.547 0.778 8.987 1.00 0.00 C ATOM 604 CZ TYR A 48 17.188 -0.440 9.524 1.00 0.00 C ATOM 605 OH TYR A 48 15.969 -0.583 10.145 1.00 0.00 O ATOM 0 H TYR A 48 19.728 -0.957 5.296 1.00 0.00 H new ATOM 0 HA TYR A 48 20.728 1.663 6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.484 -0.959 7.530 1.00 0.00 H new ATOM 0 HB3 TYR A 48 21.626 0.664 8.175 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.936 -2.217 8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.047 1.870 7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.764 -2.470 9.864 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.873 1.620 9.052 1.00 0.00 H new ATOM 0 HH TYR A 48 15.486 0.269 10.118 1.00 0.00 H new ATOM 615 N CYS A 49 22.794 1.387 4.988 1.00 0.00 N ATOM 616 CA CYS A 49 24.029 1.288 4.227 1.00 0.00 C ATOM 617 C CYS A 49 25.153 0.778 5.111 1.00 0.00 C ATOM 618 O CYS A 49 25.804 1.545 5.818 1.00 0.00 O ATOM 619 CB CYS A 49 24.401 2.647 3.637 1.00 0.00 C ATOM 620 SG CYS A 49 25.998 2.670 2.765 1.00 0.00 S ATOM 0 H CYS A 49 22.507 2.343 5.199 1.00 0.00 H new ATOM 0 HA CYS A 49 23.876 0.582 3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.618 2.957 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.427 3.384 4.440 1.00 0.00 H new ATOM 625 N GLU A 50 25.352 -0.528 5.085 1.00 0.00 N ATOM 626 CA GLU A 50 26.377 -1.160 5.901 1.00 0.00 C ATOM 627 C GLU A 50 27.492 -1.715 5.018 1.00 0.00 C ATOM 628 O GLU A 50 27.431 -1.632 3.793 1.00 0.00 O ATOM 629 CB GLU A 50 25.724 -2.245 6.789 1.00 0.00 C ATOM 630 CG GLU A 50 26.467 -3.575 6.909 1.00 0.00 C ATOM 631 CD GLU A 50 25.576 -4.696 7.405 1.00 0.00 C ATOM 632 OE1 GLU A 50 25.351 -4.778 8.631 1.00 0.00 O ATOM 633 OE2 GLU A 50 25.103 -5.493 6.568 1.00 0.00 O ATOM 0 H GLU A 50 24.816 -1.174 4.506 1.00 0.00 H new ATOM 0 HA GLU A 50 26.839 -0.425 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.599 -1.834 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.726 -2.447 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 50 26.879 -3.846 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.309 -3.456 7.590 1.00 0.00 H new ATOM 640 N LEU A 51 28.519 -2.249 5.658 1.00 0.00 N ATOM 641 CA LEU A 51 29.654 -2.822 4.948 1.00 0.00 C ATOM 642 C LEU A 51 29.445 -4.313 4.706 1.00 0.00 C ATOM 643 O LEU A 51 28.674 -4.964 5.411 1.00 0.00 O ATOM 644 CB LEU A 51 30.941 -2.599 5.740 1.00 0.00 C ATOM 645 CG LEU A 51 31.069 -3.455 6.998 1.00 0.00 C ATOM 646 CD1 LEU A 51 30.792 -2.623 8.241 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.447 -4.092 7.072 1.00 0.00 C ATOM 0 H LEU A 51 28.591 -2.298 6.674 1.00 0.00 H new ATOM 0 HA LEU A 51 29.738 -2.323 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.792 -2.802 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.000 -1.548 6.024 1.00 0.00 H new ATOM 0 HG LEU A 51 30.327 -4.252 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 51 30.888 -3.250 9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 51 31.508 -1.803 8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 51 29.781 -2.219 8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.520 -4.698 7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.603 -4.724 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 51 33.208 -3.312 7.097 1.00 0.00 H new ATOM 659 N GLY A 52 30.135 -4.847 3.705 1.00 0.00 N ATOM 660 CA GLY A 52 30.006 -6.256 3.388 1.00 0.00 C ATOM 661 C GLY A 52 30.964 -7.121 4.181 1.00 0.00 C ATOM 662 O GLY A 52 31.005 -7.050 5.410 1.00 0.00 O ATOM 0 H GLY A 52 30.781 -4.330 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.983 -6.577 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 52 30.186 -6.403 2.323 1.00 0.00 H new ATOM 666 N SER A 53 31.735 -7.943 3.477 1.00 0.00 N ATOM 667 CA SER A 53 32.696 -8.831 4.121 1.00 0.00 C ATOM 668 C SER A 53 34.125 -8.356 3.882 1.00 0.00 C ATOM 669 O SER A 53 34.962 -8.396 4.784 1.00 0.00 O ATOM 670 CB SER A 53 32.529 -10.258 3.595 1.00 0.00 C ATOM 671 OG SER A 53 32.695 -11.207 4.633 1.00 0.00 O ATOM 0 H SER A 53 31.713 -8.013 2.460 1.00 0.00 H new ATOM 0 HA SER A 53 32.503 -8.817 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 53 31.541 -10.371 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 53 33.258 -10.446 2.806 1.00 0.00 H new ATOM 0 HG SER A 53 32.582 -12.111 4.271 1.00 0.00 H new ATOM 677 N THR A 54 34.398 -7.911 2.661 1.00 0.00 N ATOM 678 CA THR A 54 35.726 -7.428 2.304 1.00 0.00 C ATOM 679 C THR A 54 35.790 -5.907 2.382 1.00 0.00 C ATOM 680 O THR A 54 36.123 -5.238 1.403 1.00 0.00 O ATOM 681 CB THR A 54 36.100 -7.896 0.896 1.00 0.00 C ATOM 682 OG1 THR A 54 35.335 -7.208 -0.079 1.00 0.00 O ATOM 683 CG2 THR A 54 35.892 -9.379 0.683 1.00 0.00 C ATOM 0 H THR A 54 33.718 -7.875 1.902 1.00 0.00 H new ATOM 0 HA THR A 54 36.440 -7.840 3.017 1.00 0.00 H new ATOM 0 HB THR A 54 37.163 -7.678 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 54 35.548 -6.252 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 54 36.176 -9.644 -0.335 1.00 0.00 H new ATOM 0 HG22 THR A 54 36.507 -9.938 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 54 34.842 -9.626 0.842 1.00 0.00 H new ATOM 691 N GLY A 55 35.468 -5.366 3.553 1.00 0.00 N ATOM 692 CA GLY A 55 35.489 -3.927 3.736 1.00 0.00 C ATOM 693 C GLY A 55 34.727 -3.197 2.649 1.00 0.00 C ATOM 694 O GLY A 55 34.998 -2.029 2.368 1.00 0.00 O ATOM 0 H GLY A 55 35.193 -5.899 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.058 -3.680 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.522 -3.580 3.748 1.00 0.00 H new ATOM 698 N SER A 56 33.773 -3.889 2.036 1.00 0.00 N ATOM 699 CA SER A 56 32.970 -3.308 0.968 1.00 0.00 C ATOM 700 C SER A 56 31.799 -2.511 1.534 1.00 0.00 C ATOM 701 O SER A 56 31.781 -2.167 2.716 1.00 0.00 O ATOM 702 CB SER A 56 32.448 -4.408 0.041 1.00 0.00 C ATOM 703 OG SER A 56 31.996 -3.868 -1.188 1.00 0.00 O ATOM 0 H SER A 56 33.537 -4.855 2.262 1.00 0.00 H new ATOM 0 HA SER A 56 33.606 -2.629 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 56 33.238 -5.135 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 56 31.633 -4.942 0.529 1.00 0.00 H new ATOM 0 HG SER A 56 31.669 -4.591 -1.763 1.00 0.00 H new ATOM 709 N MET A 57 30.830 -2.209 0.677 1.00 0.00 N ATOM 710 CA MET A 57 29.647 -1.462 1.089 1.00 0.00 C ATOM 711 C MET A 57 28.387 -2.117 0.538 1.00 0.00 C ATOM 712 O MET A 57 28.232 -2.274 -0.674 1.00 0.00 O ATOM 713 CB MET A 57 29.728 -0.005 0.617 1.00 0.00 C ATOM 714 CG MET A 57 31.147 0.538 0.525 1.00 0.00 C ATOM 715 SD MET A 57 31.316 2.173 1.265 1.00 0.00 S ATOM 716 CE MET A 57 32.370 1.802 2.665 1.00 0.00 C ATOM 0 H MET A 57 30.840 -2.470 -0.309 1.00 0.00 H new ATOM 0 HA MET A 57 29.605 -1.471 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.255 0.076 -0.362 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.154 0.620 1.301 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.829 -0.153 1.021 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.446 0.585 -0.522 1.00 0.00 H new ATOM 0 HE1 MET A 57 32.668 2.730 3.152 1.00 0.00 H new ATOM 0 HE2 MET A 57 31.826 1.178 3.374 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.258 1.272 2.321 1.00 0.00 H new ATOM 726 N VAL A 58 27.496 -2.511 1.438 1.00 0.00 N ATOM 727 CA VAL A 58 26.256 -3.170 1.056 1.00 0.00 C ATOM 728 C VAL A 58 25.049 -2.447 1.640 1.00 0.00 C ATOM 729 O VAL A 58 25.187 -1.414 2.296 1.00 0.00 O ATOM 730 CB VAL A 58 26.239 -4.634 1.531 1.00 0.00 C ATOM 731 CG1 VAL A 58 27.021 -5.520 0.573 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.801 -4.729 2.937 1.00 0.00 C ATOM 0 H VAL A 58 27.611 -2.384 2.444 1.00 0.00 H new ATOM 0 HA VAL A 58 26.200 -3.143 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 58 25.208 -4.987 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.996 -6.550 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.573 -5.467 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 58 28.055 -5.178 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.785 -5.768 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.827 -4.361 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 58 26.195 -4.126 3.613 1.00 0.00 H new ATOM 742 N TRP A 59 23.867 -3.005 1.411 1.00 0.00 N ATOM 743 CA TRP A 59 22.631 -2.419 1.912 1.00 0.00 C ATOM 744 C TRP A 59 21.818 -3.455 2.685 1.00 0.00 C ATOM 745 O TRP A 59 21.533 -4.536 2.171 1.00 0.00 O ATOM 746 CB TRP A 59 21.804 -1.881 0.747 1.00 0.00 C ATOM 747 CG TRP A 59 22.304 -0.580 0.196 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.057 -0.395 -0.930 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.046 0.725 0.723 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.290 0.942 -1.127 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.685 1.651 -0.124 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.345 1.202 1.833 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.640 3.023 0.107 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.300 2.563 2.058 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.943 3.457 1.201 1.00 0.00 C ATOM 0 H TRP A 59 23.738 -3.866 0.879 1.00 0.00 H new ATOM 0 HA TRP A 59 22.884 -1.601 2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.794 -2.623 -0.052 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.773 -1.753 1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.416 -1.187 -1.571 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.827 1.343 -1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.847 0.518 2.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.137 3.719 -0.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.758 2.942 2.912 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.889 4.516 1.406 1.00 0.00 H new ATOM 766 N ASN A 60 21.436 -3.121 3.916 1.00 0.00 N ATOM 767 CA ASN A 60 20.667 -4.044 4.742 1.00 0.00 C ATOM 768 C ASN A 60 19.780 -3.292 5.740 1.00 0.00 C ATOM 769 O ASN A 60 20.267 -2.433 6.472 1.00 0.00 O ATOM 770 CB ASN A 60 21.614 -4.971 5.500 1.00 0.00 C ATOM 771 CG ASN A 60 22.024 -6.177 4.679 1.00 0.00 C ATOM 772 OD1 ASN A 60 23.007 -5.991 3.806 1.00 0.00 O flip ATOM 773 ND2 ASN A 60 21.463 -7.263 4.826 1.00 0.00 N flip ATOM 0 H ASN A 60 21.645 -2.226 4.359 1.00 0.00 H new ATOM 0 HA ASN A 60 20.023 -4.628 4.084 1.00 0.00 H new ATOM 0 HB2 ASN A 60 22.505 -4.415 5.793 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.131 -5.307 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 60 20.712 -7.361 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.749 -8.065 4.265 1.00 0.00 H new ATOM 780 N PRO A 61 18.468 -3.609 5.805 1.00 0.00 N ATOM 781 CA PRO A 61 17.830 -4.631 4.964 1.00 0.00 C ATOM 782 C PRO A 61 17.608 -4.149 3.534 1.00 0.00 C ATOM 783 O PRO A 61 18.172 -3.139 3.114 1.00 0.00 O ATOM 784 CB PRO A 61 16.492 -4.868 5.660 1.00 0.00 C ATOM 785 CG PRO A 61 16.179 -3.568 6.314 1.00 0.00 C ATOM 786 CD PRO A 61 17.503 -2.980 6.727 1.00 0.00 C ATOM 0 HA PRO A 61 18.444 -5.526 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.718 -5.150 4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.562 -5.674 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.654 -2.903 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.530 -3.712 7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.506 -1.894 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.736 -3.208 7.767 1.00 0.00 H new ATOM 794 N GLU A 62 16.787 -4.882 2.787 1.00 0.00 N ATOM 795 CA GLU A 62 16.496 -4.545 1.408 1.00 0.00 C ATOM 796 C GLU A 62 15.048 -4.073 1.252 1.00 0.00 C ATOM 797 O GLU A 62 14.448 -3.559 2.196 1.00 0.00 O ATOM 798 CB GLU A 62 16.765 -5.762 0.527 1.00 0.00 C ATOM 799 CG GLU A 62 18.091 -6.437 0.812 1.00 0.00 C ATOM 800 CD GLU A 62 17.970 -7.945 0.906 1.00 0.00 C ATOM 801 OE1 GLU A 62 17.069 -8.425 1.626 1.00 0.00 O ATOM 802 OE2 GLU A 62 18.775 -8.647 0.258 1.00 0.00 O ATOM 0 H GLU A 62 16.311 -5.719 3.123 1.00 0.00 H new ATOM 0 HA GLU A 62 17.143 -3.724 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.962 -6.485 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.740 -5.455 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.801 -6.182 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.498 -6.050 1.746 1.00 0.00 H new ATOM 809 N ALA A 63 14.497 -4.246 0.054 1.00 0.00 N ATOM 810 CA ALA A 63 13.125 -3.851 -0.234 1.00 0.00 C ATOM 811 C ALA A 63 12.135 -4.814 0.417 1.00 0.00 C ATOM 812 O ALA A 63 12.049 -5.979 0.029 1.00 0.00 O ATOM 813 CB ALA A 63 12.901 -3.803 -1.735 1.00 0.00 C ATOM 0 H ALA A 63 14.987 -4.661 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 63 12.958 -2.857 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.872 -3.507 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.583 -3.079 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.087 -4.788 -2.162 1.00 0.00 H new ATOM 819 N PRO A 64 11.370 -4.344 1.416 1.00 0.00 N ATOM 820 CA PRO A 64 10.398 -5.180 2.130 1.00 0.00 C ATOM 821 C PRO A 64 9.212 -5.575 1.252 1.00 0.00 C ATOM 822 O PRO A 64 9.346 -5.709 0.036 1.00 0.00 O ATOM 823 CB PRO A 64 9.938 -4.291 3.295 1.00 0.00 C ATOM 824 CG PRO A 64 10.931 -3.181 3.358 1.00 0.00 C ATOM 825 CD PRO A 64 11.408 -2.980 1.958 1.00 0.00 C ATOM 0 HA PRO A 64 10.837 -6.125 2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.931 -3.909 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.913 -4.850 4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.476 -2.271 3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.759 -3.434 4.020 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.760 -2.303 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.412 -2.558 1.927 1.00 0.00 H new ATOM 833 N ILE A 65 8.052 -5.768 1.877 1.00 0.00 N ATOM 834 CA ILE A 65 6.850 -6.172 1.158 1.00 0.00 C ATOM 835 C ILE A 65 5.936 -4.981 0.885 1.00 0.00 C ATOM 836 O ILE A 65 6.098 -3.913 1.472 1.00 0.00 O ATOM 837 CB ILE A 65 6.056 -7.231 1.943 1.00 0.00 C ATOM 838 CG1 ILE A 65 7.002 -8.199 2.660 1.00 0.00 C ATOM 839 CG2 ILE A 65 5.123 -7.986 1.015 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.904 -8.971 1.723 1.00 0.00 C ATOM 0 H ILE A 65 7.921 -5.650 2.882 1.00 0.00 H new ATOM 0 HA ILE A 65 7.184 -6.596 0.211 1.00 0.00 H new ATOM 0 HB ILE A 65 5.457 -6.721 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.618 -7.638 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.412 -8.904 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.568 -8.732 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.424 -7.288 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.705 -8.482 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.546 -9.636 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.296 -9.560 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.521 -8.274 1.156 1.00 0.00 H new ATOM 852 N CYS A 66 4.963 -5.182 0.002 1.00 0.00 N ATOM 853 CA CYS A 66 4.012 -4.134 -0.341 1.00 0.00 C ATOM 854 C CYS A 66 2.819 -4.714 -1.092 1.00 0.00 C ATOM 855 O CYS A 66 2.980 -5.365 -2.124 1.00 0.00 O ATOM 856 CB CYS A 66 4.688 -3.062 -1.194 1.00 0.00 C ATOM 857 SG CYS A 66 5.157 -1.564 -0.270 1.00 0.00 S ATOM 0 H CYS A 66 4.813 -6.063 -0.489 1.00 0.00 H new ATOM 0 HA CYS A 66 3.657 -3.682 0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.581 -3.487 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.016 -2.781 -2.005 1.00 0.00 H new ATOM 862 N GLU A 67 1.622 -4.478 -0.566 1.00 0.00 N ATOM 863 CA GLU A 67 0.405 -4.983 -1.186 1.00 0.00 C ATOM 864 C GLU A 67 -0.682 -3.915 -1.205 1.00 0.00 C ATOM 865 O GLU A 67 -0.498 -2.817 -0.680 1.00 0.00 O ATOM 866 CB GLU A 67 -0.094 -6.222 -0.440 1.00 0.00 C ATOM 867 CG GLU A 67 -0.070 -7.489 -1.279 1.00 0.00 C ATOM 868 CD GLU A 67 -1.446 -7.888 -1.773 1.00 0.00 C ATOM 869 OE1 GLU A 67 -1.663 -9.093 -2.018 1.00 0.00 O ATOM 870 OE2 GLU A 67 -2.308 -6.995 -1.913 1.00 0.00 O ATOM 0 H GLU A 67 1.470 -3.941 0.287 1.00 0.00 H new ATOM 0 HA GLU A 67 0.638 -5.255 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.520 -6.373 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.113 -6.043 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.590 -7.342 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.350 -8.303 -0.689 1.00 0.00 H new ATOM 877 N SER A 68 -1.816 -4.246 -1.812 1.00 0.00 N ATOM 878 CA SER A 68 -2.934 -3.317 -1.907 1.00 0.00 C ATOM 879 C SER A 68 -3.925 -3.530 -0.767 1.00 0.00 C ATOM 880 O SER A 68 -4.467 -4.621 -0.593 1.00 0.00 O ATOM 881 CB SER A 68 -3.645 -3.482 -3.252 1.00 0.00 C ATOM 882 OG SER A 68 -4.669 -4.458 -3.171 1.00 0.00 O ATOM 0 H SER A 68 -1.985 -5.153 -2.246 1.00 0.00 H new ATOM 0 HA SER A 68 -2.537 -2.305 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.071 -2.528 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.923 -3.771 -4.016 1.00 0.00 H new ATOM 0 HG SER A 68 -4.555 -4.984 -2.352 1.00 0.00 H new ATOM 888 N VAL A 69 -4.162 -2.470 -0.001 1.00 0.00 N ATOM 889 CA VAL A 69 -5.091 -2.515 1.121 1.00 0.00 C ATOM 890 C VAL A 69 -6.403 -3.184 0.730 1.00 0.00 C ATOM 891 O VAL A 69 -7.278 -2.558 0.132 1.00 0.00 O ATOM 892 CB VAL A 69 -5.395 -1.102 1.638 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.805 -0.209 0.483 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.195 -0.525 2.371 1.00 0.00 C ATOM 0 H VAL A 69 -3.719 -1.562 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.611 -3.099 1.906 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.221 -1.157 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.020 0.793 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.995 -0.160 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.696 -0.617 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.434 0.477 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.945 -1.163 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.344 -0.475 1.692 1.00 0.00 H new ATOM 904 N LYS A 70 -6.537 -4.454 1.084 1.00 0.00 N ATOM 905 CA LYS A 70 -7.742 -5.212 0.773 1.00 0.00 C ATOM 906 C LYS A 70 -8.923 -4.742 1.619 1.00 0.00 C ATOM 907 O LYS A 70 -8.921 -4.891 2.841 1.00 0.00 O ATOM 908 CB LYS A 70 -7.500 -6.704 1.006 1.00 0.00 C ATOM 909 CG LYS A 70 -7.118 -7.463 -0.254 1.00 0.00 C ATOM 910 CD LYS A 70 -8.345 -7.880 -1.047 1.00 0.00 C ATOM 911 CE LYS A 70 -7.968 -8.722 -2.253 1.00 0.00 C ATOM 912 NZ LYS A 70 -9.142 -9.008 -3.123 1.00 0.00 N ATOM 0 H LYS A 70 -5.825 -4.983 1.588 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.984 -5.044 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.709 -6.824 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.401 -7.148 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.477 -6.838 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.539 -8.347 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.020 -8.445 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.886 -6.993 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.205 -8.203 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.529 -9.661 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.841 -9.585 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.860 -9.526 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.546 -8.113 -3.466 1.00 0.00 H new ATOM 926 N CYS A 71 -9.932 -4.177 0.961 1.00 0.00 N ATOM 927 CA CYS A 71 -11.132 -3.710 1.650 1.00 0.00 C ATOM 928 C CYS A 71 -12.226 -4.764 1.567 1.00 0.00 C ATOM 929 O CYS A 71 -12.638 -5.161 0.477 1.00 0.00 O ATOM 930 CB CYS A 71 -11.652 -2.385 1.066 1.00 0.00 C ATOM 931 SG CYS A 71 -10.574 -1.588 -0.175 1.00 0.00 S ATOM 0 H CYS A 71 -9.943 -4.031 -0.049 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.861 -3.536 2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.626 -2.567 0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.810 -1.685 1.886 1.00 0.00 H new ATOM 936 N GLN A 72 -12.691 -5.215 2.722 1.00 0.00 N ATOM 937 CA GLN A 72 -13.732 -6.229 2.776 1.00 0.00 C ATOM 938 C GLN A 72 -15.082 -5.647 2.364 1.00 0.00 C ATOM 939 O GLN A 72 -15.144 -4.622 1.686 1.00 0.00 O ATOM 940 CB GLN A 72 -13.808 -6.828 4.183 1.00 0.00 C ATOM 941 CG GLN A 72 -14.494 -5.929 5.198 1.00 0.00 C ATOM 942 CD GLN A 72 -13.587 -5.561 6.355 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.600 -6.211 7.401 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.789 -4.516 6.172 1.00 0.00 N ATOM 0 H GLN A 72 -12.364 -4.895 3.634 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.481 -7.021 2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.341 -7.778 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.798 -7.046 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.832 -5.019 4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.382 -6.432 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.811 -4.006 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.154 -4.223 6.914 1.00 0.00 H new ATOM 953 N SER A 73 -16.161 -6.307 2.774 1.00 0.00 N ATOM 954 CA SER A 73 -17.506 -5.858 2.438 1.00 0.00 C ATOM 955 C SER A 73 -17.676 -4.365 2.724 1.00 0.00 C ATOM 956 O SER A 73 -17.219 -3.869 3.754 1.00 0.00 O ATOM 957 CB SER A 73 -18.540 -6.660 3.228 1.00 0.00 C ATOM 958 OG SER A 73 -19.741 -5.928 3.387 1.00 0.00 O ATOM 0 H SER A 73 -16.129 -7.155 3.340 1.00 0.00 H new ATOM 0 HA SER A 73 -17.661 -6.022 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.748 -7.598 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.135 -6.917 4.207 1.00 0.00 H new ATOM 0 HG SER A 73 -20.406 -6.247 2.742 1.00 0.00 H new ATOM 964 N PRO A 74 -18.344 -3.627 1.817 1.00 0.00 N ATOM 965 CA PRO A 74 -18.572 -2.188 1.989 1.00 0.00 C ATOM 966 C PRO A 74 -19.394 -1.884 3.242 1.00 0.00 C ATOM 967 O PRO A 74 -20.042 -2.769 3.799 1.00 0.00 O ATOM 968 CB PRO A 74 -19.339 -1.778 0.724 1.00 0.00 C ATOM 969 CG PRO A 74 -19.116 -2.884 -0.251 1.00 0.00 C ATOM 970 CD PRO A 74 -18.925 -4.132 0.562 1.00 0.00 C ATOM 0 HA PRO A 74 -17.637 -1.642 2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.401 -1.647 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.972 -0.829 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.967 -2.986 -0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.241 -2.686 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.869 -4.649 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.260 -4.839 0.066 1.00 0.00 H new ATOM 978 N PRO A 75 -19.364 -0.623 3.710 1.00 0.00 N ATOM 979 CA PRO A 75 -20.090 -0.204 4.909 1.00 0.00 C ATOM 980 C PRO A 75 -21.483 -0.815 5.006 1.00 0.00 C ATOM 981 O PRO A 75 -22.060 -1.242 4.006 1.00 0.00 O ATOM 982 CB PRO A 75 -20.181 1.309 4.739 1.00 0.00 C ATOM 983 CG PRO A 75 -18.948 1.676 3.986 1.00 0.00 C ATOM 984 CD PRO A 75 -18.608 0.493 3.111 1.00 0.00 C ATOM 0 HA PRO A 75 -19.588 -0.525 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -21.080 1.593 4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -20.222 1.815 5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.114 2.569 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.129 1.900 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.903 0.665 2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.536 0.293 3.108 1.00 0.00 H new ATOM 992 N SER A 76 -22.015 -0.851 6.223 1.00 0.00 N ATOM 993 CA SER A 76 -23.344 -1.393 6.464 1.00 0.00 C ATOM 994 C SER A 76 -24.324 -0.277 6.806 1.00 0.00 C ATOM 995 O SER A 76 -24.491 0.081 7.972 1.00 0.00 O ATOM 996 CB SER A 76 -23.303 -2.418 7.600 1.00 0.00 C ATOM 997 OG SER A 76 -22.835 -3.673 7.139 1.00 0.00 O ATOM 0 H SER A 76 -21.543 -0.509 7.060 1.00 0.00 H new ATOM 0 HA SER A 76 -23.682 -1.888 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.655 -2.055 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 76 -24.300 -2.533 8.027 1.00 0.00 H new ATOM 0 HG SER A 76 -22.817 -4.309 7.884 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.976 0.263 5.784 1.00 0.00 N ATOM 1004 CA ILE A 77 -25.927 1.351 5.976 1.00 0.00 C ATOM 1005 C ILE A 77 -27.176 0.870 6.704 1.00 0.00 C ATOM 1006 O ILE A 77 -27.270 -0.292 7.099 1.00 0.00 O ATOM 1007 CB ILE A 77 -26.343 1.985 4.633 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -27.134 0.985 3.783 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -25.119 2.475 3.879 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.935 1.635 2.677 1.00 0.00 C ATOM 0 H ILE A 77 -24.864 -0.034 4.815 1.00 0.00 H new ATOM 0 HA ILE A 77 -25.422 2.103 6.582 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.988 2.839 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.442 0.265 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.810 0.425 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.428 2.920 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -24.597 3.222 4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.452 1.636 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.469 0.868 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.651 2.334 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.262 2.172 2.008 1.00 0.00 H new ATOM 1022 N SER A 78 -28.134 1.773 6.877 1.00 0.00 N ATOM 1023 CA SER A 78 -29.383 1.444 7.550 1.00 0.00 C ATOM 1024 C SER A 78 -30.499 1.222 6.538 1.00 0.00 C ATOM 1025 O SER A 78 -30.532 1.857 5.485 1.00 0.00 O ATOM 1026 CB SER A 78 -29.775 2.564 8.516 1.00 0.00 C ATOM 1027 OG SER A 78 -29.598 3.837 7.919 1.00 0.00 O ATOM 0 H SER A 78 -28.069 2.740 6.560 1.00 0.00 H new ATOM 0 HA SER A 78 -29.234 0.522 8.112 1.00 0.00 H new ATOM 0 HB2 SER A 78 -30.815 2.441 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.171 2.496 9.421 1.00 0.00 H new ATOM 0 HG SER A 78 -29.857 4.536 8.556 1.00 0.00 H new ATOM 1033 N ASN A 79 -31.413 0.316 6.864 1.00 0.00 N ATOM 1034 CA ASN A 79 -32.537 0.020 5.987 1.00 0.00 C ATOM 1035 C ASN A 79 -32.060 -0.331 4.582 1.00 0.00 C ATOM 1036 O ASN A 79 -32.763 -0.095 3.600 1.00 0.00 O ATOM 1037 CB ASN A 79 -33.483 1.219 5.931 1.00 0.00 C ATOM 1038 CG ASN A 79 -33.680 1.866 7.281 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -32.843 2.842 7.590 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 -34.582 1.500 8.035 1.00 0.00 N flip ATOM 0 H ASN A 79 -31.397 -0.225 7.728 1.00 0.00 H new ATOM 0 HA ASN A 79 -33.067 -0.842 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -33.088 1.957 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -34.449 0.897 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -35.205 0.742 7.755 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -34.706 1.955 8.940 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.864 -0.900 4.496 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.316 -1.283 3.209 1.00 0.00 C ATOM 1049 C GLY A 80 -29.043 -2.095 3.338 1.00 0.00 C ATOM 1050 O GLY A 80 -28.664 -2.498 4.437 1.00 0.00 O ATOM 0 H GLY A 80 -30.263 -1.103 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -31.058 -1.862 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -30.113 -0.387 2.623 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.385 -2.340 2.210 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.142 -3.098 2.200 1.00 0.00 C ATOM 1056 C ARG A 81 -26.382 -2.878 0.900 1.00 0.00 C ATOM 1057 O ARG A 81 -26.797 -2.091 0.049 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.412 -4.587 2.394 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.695 -5.072 1.746 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.022 -6.486 2.188 1.00 0.00 C ATOM 1061 NE ARG A 81 -28.609 -7.481 1.201 1.00 0.00 N ATOM 1062 CZ ARG A 81 -27.385 -8.000 1.134 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -27.099 -8.900 0.204 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -26.447 -7.623 1.993 1.00 0.00 N ATOM 0 H ARG A 81 -28.693 -2.024 1.291 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.531 -2.740 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.575 -5.154 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.453 -4.802 3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.516 -4.405 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.594 -5.040 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.528 -6.692 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.095 -6.572 2.361 1.00 0.00 H new ATOM 0 HE ARG A 81 -29.301 -7.797 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.816 -9.194 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -26.162 -9.299 0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -26.661 -6.931 2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -25.511 -8.025 1.935 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.271 -3.585 0.753 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.445 -3.473 -0.441 1.00 0.00 C ATOM 1080 C HIS A 82 -24.696 -4.639 -1.391 1.00 0.00 C ATOM 1081 O HIS A 82 -25.413 -5.582 -1.054 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.969 -3.427 -0.054 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.607 -4.405 1.019 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.631 -4.092 2.362 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.224 -5.702 0.944 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.274 -5.151 3.066 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.020 -6.140 2.229 1.00 0.00 N ATOM 0 H HIS A 82 -24.920 -4.244 1.448 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.713 -2.549 -0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.363 -3.627 -0.937 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.720 -2.421 0.283 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.885 -3.184 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.102 -6.283 0.042 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.202 -5.200 4.143 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.104 -4.569 -2.579 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.253 -5.629 -3.568 1.00 0.00 C ATOM 1098 C ASN A 83 -23.009 -6.510 -3.594 1.00 0.00 C ATOM 1099 O ASN A 83 -22.959 -7.549 -2.937 1.00 0.00 O ATOM 1100 CB ASN A 83 -24.505 -5.033 -4.955 1.00 0.00 C ATOM 1101 CG ASN A 83 -25.893 -4.440 -5.088 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.788 -4.740 -4.298 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.080 -3.592 -6.093 1.00 0.00 N ATOM 0 H ASN A 83 -23.518 -3.790 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.110 -6.242 -3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.763 -4.260 -5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -24.370 -5.808 -5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.994 -3.161 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.310 -3.372 -6.724 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.001 -6.076 -4.342 1.00 0.00 N ATOM 1111 CA GLY A 84 -20.757 -6.817 -4.411 1.00 0.00 C ATOM 1112 C GLY A 84 -20.932 -8.224 -4.946 1.00 0.00 C ATOM 1113 O GLY A 84 -21.959 -8.863 -4.715 1.00 0.00 O ATOM 0 H GLY A 84 -22.024 -5.224 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -20.055 -6.278 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.314 -6.865 -3.416 1.00 0.00 H new ATOM 1117 N TYR A 85 -19.914 -8.714 -5.645 1.00 0.00 N ATOM 1118 CA TYR A 85 -19.942 -10.060 -6.200 1.00 0.00 C ATOM 1119 C TYR A 85 -18.919 -10.949 -5.504 1.00 0.00 C ATOM 1120 O TYR A 85 -19.131 -12.149 -5.332 1.00 0.00 O ATOM 1121 CB TYR A 85 -19.665 -10.017 -7.700 1.00 0.00 C ATOM 1122 CG TYR A 85 -20.646 -9.162 -8.462 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -21.543 -9.730 -9.356 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -20.686 -7.788 -8.274 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -22.447 -8.949 -10.051 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -21.586 -7.000 -8.964 1.00 0.00 C ATOM 1127 CZ TYR A 85 -22.464 -7.585 -9.852 1.00 0.00 C ATOM 1128 OH TYR A 85 -23.362 -6.804 -10.542 1.00 0.00 O ATOM 0 H TYR A 85 -19.057 -8.196 -5.841 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.934 -10.480 -6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.657 -9.637 -7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.693 -11.032 -8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.534 -10.799 -9.511 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.002 -7.327 -7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -23.136 -9.405 -10.746 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -21.602 -5.931 -8.809 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.244 -5.865 -10.286 1.00 0.00 H new ATOM 1138 N GLU A 86 -17.813 -10.340 -5.098 1.00 0.00 N ATOM 1139 CA GLU A 86 -16.747 -11.052 -4.411 1.00 0.00 C ATOM 1140 C GLU A 86 -16.869 -10.879 -2.901 1.00 0.00 C ATOM 1141 O GLU A 86 -17.858 -10.337 -2.408 1.00 0.00 O ATOM 1142 CB GLU A 86 -15.389 -10.537 -4.890 1.00 0.00 C ATOM 1143 CG GLU A 86 -14.786 -11.367 -6.011 1.00 0.00 C ATOM 1144 CD GLU A 86 -13.444 -11.966 -5.638 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -12.570 -12.064 -6.525 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -13.266 -12.337 -4.459 1.00 0.00 O ATOM 0 H GLU A 86 -17.631 -9.346 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.832 -12.114 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.499 -9.507 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.697 -10.522 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.476 -12.168 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.667 -10.743 -6.897 1.00 0.00 H new ATOM 1153 N ASP A 87 -15.858 -11.337 -2.170 1.00 0.00 N ATOM 1154 CA ASP A 87 -15.860 -11.230 -0.716 1.00 0.00 C ATOM 1155 C ASP A 87 -14.920 -10.125 -0.238 1.00 0.00 C ATOM 1156 O ASP A 87 -15.037 -9.646 0.890 1.00 0.00 O ATOM 1157 CB ASP A 87 -15.456 -12.564 -0.085 1.00 0.00 C ATOM 1158 CG ASP A 87 -16.598 -13.560 -0.058 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -17.756 -13.141 -0.266 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -16.335 -14.760 0.171 1.00 0.00 O ATOM 0 H ASP A 87 -15.029 -11.785 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.873 -10.975 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.621 -12.988 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -15.105 -12.390 0.932 1.00 0.00 H new ATOM 1165 N PHE A 88 -13.990 -9.721 -1.099 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.030 -8.679 -0.751 1.00 0.00 C ATOM 1167 C PHE A 88 -12.892 -7.659 -1.876 1.00 0.00 C ATOM 1168 O PHE A 88 -13.475 -7.820 -2.949 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.667 -9.301 -0.446 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.443 -9.573 1.009 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.655 -8.725 1.765 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -12.015 -10.676 1.619 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.440 -8.969 3.105 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.805 -10.927 2.961 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.016 -10.072 3.706 1.00 0.00 C ATOM 0 H PHE A 88 -13.881 -10.099 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.400 -8.163 0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.571 -10.235 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.884 -8.634 -0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.203 -7.861 1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.632 -11.347 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.822 -8.299 3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.257 -11.790 3.427 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.850 -10.265 4.756 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.119 -6.605 -1.624 1.00 0.00 N ATOM 1186 CA TYR A 89 -11.907 -5.557 -2.617 1.00 0.00 C ATOM 1187 C TYR A 89 -10.545 -4.897 -2.429 1.00 0.00 C ATOM 1188 O TYR A 89 -9.899 -5.070 -1.397 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.020 -4.511 -2.525 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.402 -5.092 -2.719 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.034 -5.031 -3.954 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.065 -5.720 -1.672 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.293 -5.567 -4.137 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.325 -6.256 -1.847 1.00 0.00 C ATOM 1195 CZ TYR A 89 -16.934 -6.178 -3.080 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.186 -6.715 -3.259 1.00 0.00 O ATOM 0 H TYR A 89 -11.630 -6.455 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.930 -6.013 -3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.972 -4.023 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.848 -3.740 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.533 -4.557 -4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.587 -5.790 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.773 -5.508 -5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.831 -6.734 -1.021 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.398 -7.309 -2.509 1.00 0.00 H new ATOM 1206 N THR A 90 -10.107 -4.151 -3.439 1.00 0.00 N ATOM 1207 CA THR A 90 -8.811 -3.483 -3.386 1.00 0.00 C ATOM 1208 C THR A 90 -8.944 -1.995 -3.694 1.00 0.00 C ATOM 1209 O THR A 90 -10.017 -1.518 -4.063 1.00 0.00 O ATOM 1210 CB THR A 90 -7.843 -4.132 -4.376 1.00 0.00 C ATOM 1211 OG1 THR A 90 -8.471 -4.338 -5.630 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.309 -5.466 -3.904 1.00 0.00 C ATOM 0 H THR A 90 -10.629 -3.994 -4.301 1.00 0.00 H new ATOM 0 HA THR A 90 -8.420 -3.590 -2.374 1.00 0.00 H new ATOM 0 HB THR A 90 -7.009 -3.436 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.835 -4.752 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.629 -5.871 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.775 -5.332 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.138 -6.158 -3.755 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.841 -1.268 -3.542 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.826 0.163 -3.807 1.00 0.00 C ATOM 1222 C ASP A 91 -8.195 0.448 -5.251 1.00 0.00 C ATOM 1223 O ASP A 91 -7.352 0.405 -6.147 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.453 0.755 -3.492 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.334 0.063 -4.246 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -4.316 0.726 -4.537 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.475 -1.141 -4.544 1.00 0.00 O ATOM 0 H ASP A 91 -6.946 -1.649 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.567 0.632 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.453 1.816 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.266 0.679 -2.421 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.467 0.731 -5.462 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.952 1.037 -6.792 1.00 0.00 C ATOM 1234 C GLY A 92 -11.120 0.164 -7.211 1.00 0.00 C ATOM 1235 O GLY A 92 -11.317 -0.086 -8.400 1.00 0.00 O ATOM 0 H GLY A 92 -10.179 0.755 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.255 2.083 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.138 0.914 -7.507 1.00 0.00 H new ATOM 1239 N SER A 93 -11.899 -0.299 -6.237 1.00 0.00 N ATOM 1240 CA SER A 93 -13.060 -1.133 -6.521 1.00 0.00 C ATOM 1241 C SER A 93 -14.349 -0.372 -6.234 1.00 0.00 C ATOM 1242 O SER A 93 -14.351 0.596 -5.475 1.00 0.00 O ATOM 1243 CB SER A 93 -13.012 -2.416 -5.689 1.00 0.00 C ATOM 1244 OG SER A 93 -11.677 -2.770 -5.372 1.00 0.00 O ATOM 0 H SER A 93 -11.747 -0.110 -5.246 1.00 0.00 H new ATOM 0 HA SER A 93 -13.040 -1.399 -7.578 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.583 -2.279 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.486 -3.228 -6.240 1.00 0.00 H new ATOM 0 HG SER A 93 -11.348 -2.194 -4.651 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.445 -0.807 -6.846 1.00 0.00 N ATOM 1251 CA VAL A 94 -16.730 -0.150 -6.654 1.00 0.00 C ATOM 1252 C VAL A 94 -17.831 -1.162 -6.338 1.00 0.00 C ATOM 1253 O VAL A 94 -17.784 -2.310 -6.779 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.125 0.677 -7.898 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.118 1.790 -8.130 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.529 1.251 -7.757 1.00 0.00 C ATOM 0 H VAL A 94 -15.468 -1.608 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.621 0.523 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.122 0.011 -8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.408 2.365 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.093 2.446 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.129 1.359 -8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.778 1.828 -8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.245 0.437 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.571 1.900 -6.882 1.00 0.00 H new ATOM 1266 N VAL A 95 -18.826 -0.714 -5.578 1.00 0.00 N ATOM 1267 CA VAL A 95 -19.961 -1.555 -5.212 1.00 0.00 C ATOM 1268 C VAL A 95 -21.245 -0.739 -5.188 1.00 0.00 C ATOM 1269 O VAL A 95 -21.227 0.451 -4.878 1.00 0.00 O ATOM 1270 CB VAL A 95 -19.768 -2.210 -3.834 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -20.892 -3.190 -3.543 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.420 -2.902 -3.752 1.00 0.00 C ATOM 0 H VAL A 95 -18.869 0.233 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.029 -2.339 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.795 -1.425 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.736 -3.642 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.846 -2.663 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.902 -3.969 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.305 -3.358 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.360 -3.674 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.626 -2.172 -3.909 1.00 0.00 H new ATOM 1282 N THR A 96 -22.356 -1.385 -5.509 1.00 0.00 N ATOM 1283 CA THR A 96 -23.647 -0.712 -5.525 1.00 0.00 C ATOM 1284 C THR A 96 -24.475 -1.095 -4.307 1.00 0.00 C ATOM 1285 O THR A 96 -24.562 -2.268 -3.944 1.00 0.00 O ATOM 1286 CB THR A 96 -24.406 -1.051 -6.807 1.00 0.00 C ATOM 1287 OG1 THR A 96 -23.859 -2.203 -7.425 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.387 0.070 -7.823 1.00 0.00 C ATOM 0 H THR A 96 -22.390 -2.373 -5.762 1.00 0.00 H new ATOM 0 HA THR A 96 -23.470 0.363 -5.493 1.00 0.00 H new ATOM 0 HB THR A 96 -25.437 -1.224 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 96 -24.408 -2.451 -8.198 1.00 0.00 H new ATOM 0 HG21 THR A 96 -24.943 -0.233 -8.710 1.00 0.00 H new ATOM 0 HG22 THR A 96 -24.848 0.959 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.357 0.293 -8.099 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.076 -0.095 -3.673 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.887 -0.322 -2.485 1.00 0.00 C ATOM 1298 C TYR A 97 -27.357 -0.476 -2.842 1.00 0.00 C ATOM 1299 O TYR A 97 -27.802 -0.032 -3.901 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.711 0.829 -1.496 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.565 0.632 -0.535 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.295 0.319 -0.998 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.750 0.773 0.833 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.243 0.141 -0.123 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.700 0.601 1.714 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.448 0.288 1.231 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.399 0.115 2.105 1.00 0.00 O ATOM 0 H TYR A 97 -25.016 0.881 -3.963 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.549 -1.249 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.553 1.753 -2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.633 0.953 -0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.127 0.213 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.729 1.021 1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.263 -0.113 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.860 0.711 2.776 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.557 -0.683 2.651 1.00 0.00 H new ATOM 1317 N SER A 98 -28.109 -1.107 -1.948 1.00 0.00 N ATOM 1318 CA SER A 98 -29.534 -1.323 -2.171 1.00 0.00 C ATOM 1319 C SER A 98 -30.288 -1.465 -0.853 1.00 0.00 C ATOM 1320 O SER A 98 -29.810 -2.105 0.083 1.00 0.00 O ATOM 1321 CB SER A 98 -29.751 -2.569 -3.032 1.00 0.00 C ATOM 1322 OG SER A 98 -29.396 -3.745 -2.327 1.00 0.00 O ATOM 0 H SER A 98 -27.758 -1.477 -1.065 1.00 0.00 H new ATOM 0 HA SER A 98 -29.926 -0.450 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 98 -30.796 -2.626 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.156 -2.494 -3.942 1.00 0.00 H new ATOM 0 HG SER A 98 -29.546 -4.527 -2.899 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.476 -0.871 -0.794 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.305 -0.923 0.407 1.00 0.00 C ATOM 1330 C CYS A 99 -32.870 -2.323 0.628 1.00 0.00 C ATOM 1331 O CYS A 99 -32.893 -3.146 -0.287 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.446 0.089 0.300 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.885 1.805 0.052 1.00 0.00 S ATOM 0 H CYS A 99 -31.888 -0.346 -1.566 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.677 -0.671 1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -34.095 -0.195 -0.529 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -34.048 0.041 1.207 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.333 -2.583 1.849 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.884 -3.886 2.198 1.00 0.00 C ATOM 1340 C ASN A 100 -35.396 -3.929 1.983 1.00 0.00 C ATOM 1341 O ASN A 100 -35.874 -4.490 0.997 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.554 -4.220 3.654 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.064 -4.282 3.908 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.357 -5.105 3.328 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.578 -3.410 4.780 1.00 0.00 N ATOM 0 H ASN A 100 -33.336 -1.906 2.612 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.430 -4.629 1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.000 -3.469 4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -34.005 -5.177 3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.581 -3.404 4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.201 -2.745 5.238 1.00 0.00 H new ATOM 1352 N SER A 101 -36.144 -3.352 2.919 1.00 0.00 N ATOM 1353 CA SER A 101 -37.600 -3.340 2.835 1.00 0.00 C ATOM 1354 C SER A 101 -38.066 -2.707 1.530 1.00 0.00 C ATOM 1355 O SER A 101 -39.145 -3.018 1.028 1.00 0.00 O ATOM 1356 CB SER A 101 -38.193 -2.580 4.023 1.00 0.00 C ATOM 1357 OG SER A 101 -37.820 -3.181 5.251 1.00 0.00 O ATOM 0 H SER A 101 -35.765 -2.887 3.744 1.00 0.00 H new ATOM 0 HA SER A 101 -37.948 -4.373 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.852 -1.545 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 101 -39.280 -2.560 3.940 1.00 0.00 H new ATOM 0 HG SER A 101 -38.210 -2.676 5.994 1.00 0.00 H new ATOM 1363 N GLY A 102 -37.247 -1.813 0.987 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.592 -1.156 -0.259 1.00 0.00 C ATOM 1365 C GLY A 102 -37.506 0.355 -0.169 1.00 0.00 C ATOM 1366 O GLY A 102 -38.286 1.064 -0.805 1.00 0.00 O ATOM 0 H GLY A 102 -36.352 -1.532 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.925 -1.507 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.604 -1.441 -0.547 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.557 0.851 0.618 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.362 2.283 0.767 1.00 0.00 C ATOM 1372 C TYR A 103 -35.791 2.872 -0.517 1.00 0.00 C ATOM 1373 O TYR A 103 -35.685 2.184 -1.533 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.424 2.564 1.945 1.00 0.00 C ATOM 1375 CG TYR A 103 -36.118 2.564 3.288 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -36.248 1.392 4.022 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.642 3.735 3.824 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -36.878 1.385 5.252 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -37.274 3.736 5.054 1.00 0.00 C ATOM 1380 CZ TYR A 103 -37.391 2.559 5.762 1.00 0.00 C ATOM 1381 OH TYR A 103 -38.020 2.556 6.986 1.00 0.00 O ATOM 0 H TYR A 103 -35.911 0.279 1.162 1.00 0.00 H new ATOM 0 HA TYR A 103 -37.325 2.752 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.633 1.814 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.945 3.531 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.850 0.470 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -36.554 4.658 3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.968 0.465 5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -37.674 4.654 5.458 1.00 0.00 H new ATOM 0 HH TYR A 103 -38.323 3.463 7.200 1.00 0.00 H new ATOM 1391 N SER A 104 -35.431 4.146 -0.472 1.00 0.00 N ATOM 1392 CA SER A 104 -34.865 4.815 -1.631 1.00 0.00 C ATOM 1393 C SER A 104 -33.389 5.115 -1.416 1.00 0.00 C ATOM 1394 O SER A 104 -33.024 5.972 -0.610 1.00 0.00 O ATOM 1395 CB SER A 104 -35.619 6.110 -1.929 1.00 0.00 C ATOM 1396 OG SER A 104 -36.217 6.068 -3.213 1.00 0.00 O ATOM 0 H SER A 104 -35.521 4.736 0.355 1.00 0.00 H new ATOM 0 HA SER A 104 -34.965 4.145 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 104 -36.387 6.270 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.933 6.955 -1.871 1.00 0.00 H new ATOM 0 HG SER A 104 -36.695 6.907 -3.379 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.549 4.401 -2.151 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.106 4.577 -2.080 1.00 0.00 C ATOM 1404 C LEU A 105 -30.735 6.052 -2.130 1.00 0.00 C ATOM 1405 O LEU A 105 -30.956 6.727 -3.135 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.440 3.832 -3.235 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.263 2.938 -2.849 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.598 2.095 -1.629 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -28.016 3.772 -2.602 1.00 0.00 C ATOM 0 H LEU A 105 -32.848 3.684 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.754 4.169 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.192 3.219 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.094 4.564 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.064 2.262 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.744 1.467 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.831 2.748 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.459 1.464 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.189 3.117 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.760 4.321 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -28.204 4.477 -1.792 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.194 6.549 -1.028 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.807 7.942 -0.930 1.00 0.00 C ATOM 1423 C ILE A 106 -28.376 8.139 -1.404 1.00 0.00 C ATOM 1424 O ILE A 106 -27.582 7.202 -1.411 1.00 0.00 O ATOM 1425 CB ILE A 106 -29.950 8.445 0.514 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.401 8.301 0.971 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.490 9.888 0.628 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.362 9.188 0.211 1.00 0.00 C ATOM 0 H ILE A 106 -30.014 6.002 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.472 8.519 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.316 7.840 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -31.709 7.262 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -31.464 8.536 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.600 10.224 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.443 9.961 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -30.096 10.516 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.374 9.035 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -32.079 10.232 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.327 8.938 -0.849 1.00 0.00 H new ATOM 1440 N GLY A 107 -28.054 9.361 -1.805 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.727 9.642 -2.308 1.00 0.00 C ATOM 1442 C GLY A 107 -26.431 8.857 -3.563 1.00 0.00 C ATOM 1443 O GLY A 107 -27.158 8.950 -4.552 1.00 0.00 O ATOM 0 H GLY A 107 -28.687 10.160 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.634 10.708 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -25.989 9.400 -1.544 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.381 8.060 -3.510 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.001 7.222 -4.639 1.00 0.00 C ATOM 1449 C ASN A 108 -24.842 5.773 -4.204 1.00 0.00 C ATOM 1450 O ASN A 108 -24.175 5.481 -3.212 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.702 7.722 -5.266 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.682 9.227 -5.423 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.804 9.909 -4.894 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -24.660 9.755 -6.151 1.00 0.00 N ATOM 0 H ASN A 108 -24.772 7.973 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.796 7.279 -5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.860 7.412 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.569 7.255 -6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.704 10.764 -6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -25.367 9.151 -6.571 1.00 0.00 H new ATOM 1461 N SER A 109 -25.470 4.870 -4.945 1.00 0.00 N ATOM 1462 CA SER A 109 -25.385 3.451 -4.650 1.00 0.00 C ATOM 1463 C SER A 109 -23.949 2.969 -4.806 1.00 0.00 C ATOM 1464 O SER A 109 -23.515 2.038 -4.127 1.00 0.00 O ATOM 1465 CB SER A 109 -26.325 2.671 -5.570 1.00 0.00 C ATOM 1466 OG SER A 109 -25.635 2.139 -6.687 1.00 0.00 O ATOM 0 H SER A 109 -26.045 5.098 -5.756 1.00 0.00 H new ATOM 0 HA SER A 109 -25.692 3.280 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.794 1.861 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.126 3.326 -5.914 1.00 0.00 H new ATOM 0 HG SER A 109 -26.192 2.228 -7.488 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.209 3.640 -5.681 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.825 3.288 -5.913 1.00 0.00 C ATOM 1474 C GLY A 110 -20.916 3.719 -4.778 1.00 0.00 C ATOM 1475 O GLY A 110 -20.966 4.866 -4.334 1.00 0.00 O ATOM 0 H GLY A 110 -23.548 4.426 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.746 2.209 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.487 3.750 -6.840 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.084 2.796 -4.312 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.142 3.078 -3.235 1.00 0.00 C ATOM 1481 C VAL A 111 -17.723 2.783 -3.689 1.00 0.00 C ATOM 1482 O VAL A 111 -17.470 1.747 -4.293 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.449 2.242 -1.988 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.725 2.799 -0.773 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.947 2.179 -1.746 1.00 0.00 C ATOM 0 H VAL A 111 -20.042 1.840 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.242 4.134 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.088 1.227 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.958 2.190 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.650 2.782 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.048 3.825 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.147 1.581 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.335 3.187 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.436 1.723 -2.607 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.799 3.692 -3.408 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.418 3.510 -3.840 1.00 0.00 C ATOM 1497 C LEU A 112 -14.592 2.770 -2.796 1.00 0.00 C ATOM 1498 O LEU A 112 -14.487 3.201 -1.649 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.769 4.864 -4.144 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.252 4.825 -4.365 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.685 6.235 -4.422 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.917 4.061 -5.637 1.00 0.00 C ATOM 0 H LEU A 112 -16.976 4.553 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.440 2.905 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.239 5.283 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.983 5.545 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.795 4.305 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.607 6.188 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.148 6.780 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.892 6.749 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.836 4.044 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.289 3.039 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.386 4.551 -6.490 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.974 1.674 -3.221 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.098 0.902 -2.356 1.00 0.00 C ATOM 1516 C CYS A 113 -11.671 1.409 -2.495 1.00 0.00 C ATOM 1517 O CYS A 113 -10.987 1.103 -3.473 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.160 -0.578 -2.727 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.898 -1.616 -1.918 1.00 0.00 S ATOM 0 H CYS A 113 -14.066 1.301 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.426 1.018 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.147 -0.963 -2.470 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.052 -0.673 -3.807 1.00 0.00 H new ATOM 1524 N SER A 114 -11.241 2.218 -1.539 1.00 0.00 N ATOM 1525 CA SER A 114 -9.906 2.798 -1.583 1.00 0.00 C ATOM 1526 C SER A 114 -9.335 2.997 -0.185 1.00 0.00 C ATOM 1527 O SER A 114 -10.053 2.923 0.811 1.00 0.00 O ATOM 1528 CB SER A 114 -9.940 4.137 -2.323 1.00 0.00 C ATOM 1529 OG SER A 114 -9.251 4.055 -3.559 1.00 0.00 O ATOM 0 H SER A 114 -11.794 2.488 -0.726 1.00 0.00 H new ATOM 0 HA SER A 114 -9.259 2.101 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.974 4.433 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.488 4.911 -1.702 1.00 0.00 H new ATOM 0 HG SER A 114 -9.289 4.923 -4.013 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.034 3.255 -0.127 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.367 3.474 1.145 1.00 0.00 C ATOM 1537 C GLY A 115 -7.729 2.432 2.187 1.00 0.00 C ATOM 1538 O GLY A 115 -7.671 2.700 3.387 1.00 0.00 O ATOM 0 H GLY A 115 -7.425 3.317 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.288 3.466 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.628 4.463 1.521 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.093 1.239 1.729 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.470 0.179 2.645 1.00 0.00 C ATOM 1544 C GLY A 116 -9.839 0.402 3.264 1.00 0.00 C ATOM 1545 O GLY A 116 -10.219 -0.290 4.208 1.00 0.00 O ATOM 0 H GLY A 116 -8.134 0.988 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.466 -0.773 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.725 0.106 3.437 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.578 1.373 2.735 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.910 1.682 3.234 1.00 0.00 C ATOM 1551 C GLU A 117 -12.839 2.043 2.083 1.00 0.00 C ATOM 1552 O GLU A 117 -12.440 2.013 0.919 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.847 2.835 4.237 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.761 2.669 5.288 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.969 3.570 6.489 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.081 3.604 7.366 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -12.020 4.242 6.552 1.00 0.00 O ATOM 0 H GLU A 117 -10.274 1.960 1.958 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.303 0.798 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.679 3.767 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.812 2.925 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.736 1.630 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.791 2.885 4.840 1.00 0.00 H new ATOM 1564 N TRP A 118 -14.074 2.391 2.414 1.00 0.00 N ATOM 1565 CA TRP A 118 -15.059 2.742 1.407 1.00 0.00 C ATOM 1566 C TRP A 118 -15.463 4.206 1.523 1.00 0.00 C ATOM 1567 O TRP A 118 -15.449 4.779 2.612 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.279 1.843 1.552 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.978 0.404 1.277 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.487 -0.512 2.161 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.120 -0.280 0.028 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.331 -1.727 1.543 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.711 -1.609 0.233 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.559 0.102 -1.242 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.728 -2.558 -0.783 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.576 -0.842 -2.252 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.168 -2.162 -2.015 1.00 0.00 C ATOM 0 H TRP A 118 -14.416 2.437 3.374 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.617 2.595 0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.677 1.939 2.562 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.058 2.183 0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.255 -0.310 3.196 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.988 -2.579 1.987 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.879 1.116 -1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.405 -3.573 -0.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.909 -0.558 -3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.202 -2.880 -2.821 1.00 0.00 H new ATOM 1588 N SER A 119 -15.813 4.810 0.393 1.00 0.00 N ATOM 1589 CA SER A 119 -16.201 6.213 0.370 1.00 0.00 C ATOM 1590 C SER A 119 -17.518 6.415 -0.371 1.00 0.00 C ATOM 1591 O SER A 119 -18.019 5.504 -1.034 1.00 0.00 O ATOM 1592 CB SER A 119 -15.103 7.052 -0.287 1.00 0.00 C ATOM 1593 OG SER A 119 -14.088 6.227 -0.833 1.00 0.00 O ATOM 0 H SER A 119 -15.836 4.350 -0.517 1.00 0.00 H new ATOM 0 HA SER A 119 -16.339 6.537 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.535 7.671 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.669 7.729 0.449 1.00 0.00 H new ATOM 0 HG SER A 119 -13.399 6.787 -1.248 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.065 7.623 -0.244 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.323 7.992 -0.889 1.00 0.00 C ATOM 1601 C ASP A 120 -20.398 6.924 -0.698 1.00 0.00 C ATOM 1602 O ASP A 120 -21.074 6.537 -1.652 1.00 0.00 O ATOM 1603 CB ASP A 120 -19.107 8.264 -2.382 1.00 0.00 C ATOM 1604 CG ASP A 120 -18.376 7.140 -3.088 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -17.135 7.070 -2.965 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.044 6.327 -3.761 1.00 0.00 O ATOM 0 H ASP A 120 -17.649 8.372 0.309 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.674 8.905 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -20.074 8.419 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.541 9.188 -2.499 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.610 6.470 0.550 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.640 5.479 0.865 1.00 0.00 C ATOM 1613 C PRO A 121 -23.033 6.108 0.914 1.00 0.00 C ATOM 1614 O PRO A 121 -23.192 7.243 1.365 1.00 0.00 O ATOM 1615 CB PRO A 121 -21.226 4.973 2.244 1.00 0.00 C ATOM 1616 CG PRO A 121 -20.535 6.135 2.873 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.864 6.890 1.752 1.00 0.00 C ATOM 0 HA PRO A 121 -21.707 4.691 0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -22.091 4.661 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.564 4.110 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -21.247 6.772 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.803 5.800 3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.923 7.968 1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.807 6.637 1.676 1.00 0.00 H new ATOM 1625 N PRO A 122 -24.063 5.384 0.444 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.430 5.890 0.399 1.00 0.00 C ATOM 1627 C PRO A 122 -26.239 5.583 1.647 1.00 0.00 C ATOM 1628 O PRO A 122 -25.718 5.088 2.646 1.00 0.00 O ATOM 1629 CB PRO A 122 -26.027 5.145 -0.789 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.272 3.855 -0.869 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.967 4.036 -0.135 1.00 0.00 C ATOM 0 HA PRO A 122 -25.444 6.977 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -27.093 4.968 -0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.920 5.721 -1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.851 3.046 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.090 3.583 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.837 3.279 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.115 3.952 -0.810 1.00 0.00 H new ATOM 1639 N THR A 123 -27.528 5.876 1.559 1.00 0.00 N ATOM 1640 CA THR A 123 -28.460 5.620 2.650 1.00 0.00 C ATOM 1641 C THR A 123 -29.724 4.960 2.119 1.00 0.00 C ATOM 1642 O THR A 123 -29.732 4.411 1.018 1.00 0.00 O ATOM 1643 CB THR A 123 -28.815 6.923 3.371 1.00 0.00 C ATOM 1644 OG1 THR A 123 -27.947 7.970 2.971 1.00 0.00 O ATOM 1645 CG2 THR A 123 -28.741 6.813 4.878 1.00 0.00 C ATOM 0 H THR A 123 -27.957 6.296 0.734 1.00 0.00 H new ATOM 0 HA THR A 123 -27.980 4.947 3.361 1.00 0.00 H new ATOM 0 HB THR A 123 -29.846 7.137 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 123 -28.460 8.799 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 123 -29.004 7.771 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 123 -29.437 6.048 5.222 1.00 0.00 H new ATOM 0 HG23 THR A 123 -27.728 6.540 5.174 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.792 5.017 2.903 1.00 0.00 N ATOM 1654 CA CYS A 124 -32.059 4.428 2.496 1.00 0.00 C ATOM 1655 C CYS A 124 -33.228 5.131 3.169 1.00 0.00 C ATOM 1656 O CYS A 124 -33.654 4.751 4.260 1.00 0.00 O ATOM 1657 CB CYS A 124 -32.082 2.935 2.822 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.281 1.896 1.559 1.00 0.00 S ATOM 0 H CYS A 124 -30.806 5.463 3.820 1.00 0.00 H new ATOM 0 HA CYS A 124 -32.159 4.555 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -31.587 2.774 3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -33.117 2.614 2.940 1.00 0.00 H new ATOM 1663 N GLN A 125 -33.737 6.163 2.511 1.00 0.00 N ATOM 1664 CA GLN A 125 -34.858 6.924 3.033 1.00 0.00 C ATOM 1665 C GLN A 125 -36.049 6.837 2.093 1.00 0.00 C ATOM 1666 O GLN A 125 -35.905 6.506 0.918 1.00 0.00 O ATOM 1667 CB GLN A 125 -34.461 8.385 3.233 1.00 0.00 C ATOM 1668 CG GLN A 125 -33.944 8.687 4.629 1.00 0.00 C ATOM 1669 CD GLN A 125 -33.186 9.998 4.700 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -33.717 11.011 5.156 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -31.939 9.987 4.244 1.00 0.00 N ATOM 0 H GLN A 125 -33.388 6.492 1.611 1.00 0.00 H new ATOM 0 HA GLN A 125 -35.140 6.497 3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -33.693 8.647 2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -35.324 9.019 3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -34.783 8.719 5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -33.292 7.876 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -31.539 9.125 3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -31.381 10.841 4.263 1.00 0.00 H new ATOM 1680 N ILE A 126 -37.222 7.141 2.621 1.00 0.00 N ATOM 1681 CA ILE A 126 -38.449 7.098 1.839 1.00 0.00 C ATOM 1682 C ILE A 126 -38.653 8.396 1.066 1.00 0.00 C ATOM 1683 O ILE A 126 -39.646 9.097 1.264 1.00 0.00 O ATOM 1684 CB ILE A 126 -39.670 6.837 2.739 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -39.493 5.517 3.486 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -40.951 6.821 1.919 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.648 4.297 2.605 1.00 0.00 C ATOM 0 H ILE A 126 -37.352 7.422 3.593 1.00 0.00 H new ATOM 0 HA ILE A 126 -38.352 6.277 1.129 1.00 0.00 H new ATOM 0 HB ILE A 126 -39.747 7.645 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -38.505 5.499 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -40.222 5.466 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -41.801 6.635 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -41.078 7.784 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -40.893 6.033 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.509 3.396 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -40.645 4.290 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.901 4.324 1.811 1.00 0.00 H new TER 1699 ILE A 126