USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 729 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 74 THR OG1 : rot -64:sc= 0.95 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.823 USER MOD Set 2.1: A 2 CYS SG : rot -67:sc= -0.247! USER MOD Set 2.2: A 5 CYS SG : rot 41:sc= -0.527 USER MOD Set 2.3: A 30 CYS SG : rot 151:sc= 0.247 USER MOD Set 2.4: A 33 CYS SG : rot -53:sc= 2.69 USER MOD Set 2.5: A 61 CYS SG : rot -155:sc= 0.63 USER MOD Set 2.6: A 63 ASN : amide:sc= 0.122 K(o=4.1,f=2.4) USER MOD Set 2.7: A 64 CYS SG : rot -109:sc= 0.842 USER MOD Set 2.8: A 66 HIS : no HE2:sc= 0.391 K(o=4.1,f=0.095) USER MOD Set 3.1: A 22 SER OG : rot -59:sc= 0.863 USER MOD Set 3.2: A 57 TYR OH : rot -171:sc= 0.00902 USER MOD Set 3.3: A 59 HIS : no HD1:sc= 0.83 K(o=4.4,f=-0.57) USER MOD Set 3.4: A 71 HIS : no HD1:sc= 0.512 K(o=4.4,f=0.25!) USER MOD Set 3.5: A 88 CYS SG : rot -166:sc= 1.96 USER MOD Set 3.6: A 91 CYS SG : rot 180:sc= 0.233 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -157:sc= 2.07 (180deg=1.11) USER MOD Set 4.2: A 26 ASN : amide:sc= 2.18 K(o=4.2,f=-6.7!) USER MOD Set 5.1: A 20 ASN : amide:sc= 0.958 K(o=2.9,f=-2) USER MOD Set 5.2: A 44 LYS NZ :NH3+ -145:sc= 1.94 (180deg=1.17) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.775 K(o=0.78,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.984 K(o=0.98,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 88:sc= 0.539 USER MOD Single : A 17 CYS SG : rot 62:sc= 0.243 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -47:sc= 0.0122 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -147:sc= -0.0128 (180deg=-2.2) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.09 K(o=2.1,f=-0.12) USER MOD Single : A 45 SER OG : rot 54:sc= 0.0165 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -23:sc= 0.062 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -159:sc= -2.44 (180deg=-4.31!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -172:sc= 0 (180deg=-0.162) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.193 14.875 -8.643 1.00 0.00 N ATOM 2 CA CYS A 2 -0.729 15.331 -9.941 1.00 0.00 C ATOM 3 C CYS A 2 0.688 14.819 -10.291 1.00 0.00 C ATOM 4 O CYS A 2 1.297 15.248 -11.277 1.00 0.00 O ATOM 5 CB CYS A 2 -0.940 16.873 -10.051 1.00 0.00 C ATOM 6 SG CYS A 2 -0.858 17.865 -8.492 1.00 0.00 S ATOM 0 HA CYS A 2 -1.336 14.880 -10.726 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.191 17.266 -10.738 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.914 17.047 -10.508 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.869 17.564 -7.732 1.00 0.00 H new ATOM 11 N GLY A 3 1.223 13.899 -9.480 1.00 0.00 N ATOM 12 CA GLY A 3 2.565 13.306 -9.579 1.00 0.00 C ATOM 13 C GLY A 3 3.653 14.280 -9.120 1.00 0.00 C ATOM 14 O GLY A 3 4.605 13.874 -8.457 1.00 0.00 O ATOM 0 H GLY A 3 0.700 13.525 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.608 12.401 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.755 13.008 -10.610 1.00 0.00 H new ATOM 18 N ASP A 4 3.472 15.581 -9.365 1.00 0.00 N ATOM 19 CA ASP A 4 4.323 16.626 -8.793 1.00 0.00 C ATOM 20 C ASP A 4 4.148 16.668 -7.255 1.00 0.00 C ATOM 21 O ASP A 4 5.031 17.177 -6.556 1.00 0.00 O ATOM 22 CB ASP A 4 4.005 17.982 -9.435 1.00 0.00 C ATOM 23 CG ASP A 4 4.635 18.121 -10.831 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.886 18.166 -10.928 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.891 18.215 -11.838 1.00 0.00 O ATOM 0 H ASP A 4 2.730 15.939 -9.966 1.00 0.00 H new ATOM 0 HA ASP A 4 5.367 16.397 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.924 18.102 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.370 18.782 -8.791 1.00 0.00 H new ATOM 30 N CYS A 5 3.050 16.093 -6.735 1.00 0.00 N ATOM 31 CA CYS A 5 2.744 15.942 -5.315 1.00 0.00 C ATOM 32 C CYS A 5 3.772 15.058 -4.563 1.00 0.00 C ATOM 33 O CYS A 5 3.910 15.176 -3.342 1.00 0.00 O ATOM 34 CB CYS A 5 1.360 15.269 -5.130 1.00 0.00 C ATOM 35 SG CYS A 5 -0.082 16.181 -5.775 1.00 0.00 S ATOM 0 H CYS A 5 2.319 15.703 -7.330 1.00 0.00 H new ATOM 0 HA CYS A 5 2.767 16.951 -4.903 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.389 14.292 -5.612 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.205 15.095 -4.065 1.00 0.00 H new ATOM 0 HG CYS A 5 0.219 16.714 -6.922 1.00 0.00 H new ATOM 40 N VAL A 6 4.462 14.140 -5.256 1.00 0.00 N ATOM 41 CA VAL A 6 5.385 13.162 -4.645 1.00 0.00 C ATOM 42 C VAL A 6 6.849 13.446 -5.018 1.00 0.00 C ATOM 43 O VAL A 6 7.171 13.773 -6.162 1.00 0.00 O ATOM 44 CB VAL A 6 4.983 11.704 -4.976 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.517 11.426 -4.613 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.176 11.258 -6.429 1.00 0.00 C ATOM 0 H VAL A 6 4.396 14.052 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 6 5.301 13.280 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 6 5.680 11.129 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.271 10.393 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.369 11.590 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.869 12.098 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.860 10.220 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.578 11.889 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.228 11.347 -6.700 1.00 0.00 H new ATOM 56 N GLU A 7 7.761 13.316 -4.051 1.00 0.00 N ATOM 57 CA GLU A 7 9.209 13.508 -4.228 1.00 0.00 C ATOM 58 C GLU A 7 9.778 12.440 -5.181 1.00 0.00 C ATOM 59 O GLU A 7 10.613 12.745 -6.039 1.00 0.00 O ATOM 60 CB GLU A 7 9.898 13.465 -2.845 1.00 0.00 C ATOM 61 CG GLU A 7 11.409 13.687 -2.897 1.00 0.00 C ATOM 62 CD GLU A 7 12.059 13.503 -1.516 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.382 12.342 -1.164 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.271 14.508 -0.794 1.00 0.00 O ATOM 0 H GLU A 7 7.509 13.067 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 7 9.402 14.481 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.451 14.225 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.699 12.499 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.855 12.989 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.617 14.691 -3.266 1.00 0.00 H new ATOM 71 N LYS A 8 9.304 11.193 -5.042 1.00 0.00 N ATOM 72 CA LYS A 8 9.675 10.019 -5.840 1.00 0.00 C ATOM 73 C LYS A 8 8.403 9.252 -6.216 1.00 0.00 C ATOM 74 O LYS A 8 7.520 9.093 -5.376 1.00 0.00 O ATOM 75 CB LYS A 8 10.608 9.121 -5.000 1.00 0.00 C ATOM 76 CG LYS A 8 11.909 9.829 -4.573 1.00 0.00 C ATOM 77 CD LYS A 8 12.775 9.048 -3.572 1.00 0.00 C ATOM 78 CE LYS A 8 12.102 8.672 -2.239 1.00 0.00 C ATOM 79 NZ LYS A 8 11.399 9.803 -1.576 1.00 0.00 N ATOM 0 H LYS A 8 8.612 10.966 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 8 10.192 10.324 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.075 8.786 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.859 8.230 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.504 10.032 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.653 10.793 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.115 8.132 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.663 9.640 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.387 7.869 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.859 8.280 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.315 9.610 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.940 10.680 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.450 9.911 -1.988 1.00 0.00 H new ATOM 93 N GLU A 9 8.311 8.757 -7.449 1.00 0.00 N ATOM 94 CA GLU A 9 7.188 7.924 -7.912 1.00 0.00 C ATOM 95 C GLU A 9 7.404 6.474 -7.449 1.00 0.00 C ATOM 96 O GLU A 9 8.450 5.889 -7.741 1.00 0.00 O ATOM 97 CB GLU A 9 7.106 7.953 -9.452 1.00 0.00 C ATOM 98 CG GLU A 9 6.433 9.213 -10.008 1.00 0.00 C ATOM 99 CD GLU A 9 7.026 9.607 -11.375 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.525 9.129 -12.422 1.00 0.00 O ATOM 101 OE2 GLU A 9 8.000 10.397 -11.413 1.00 0.00 O ATOM 0 H GLU A 9 9.018 8.921 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 9 6.261 8.316 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.113 7.878 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.556 7.076 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.362 9.041 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.558 10.036 -9.304 1.00 0.00 H new ATOM 108 N TYR A 10 6.426 5.892 -6.742 1.00 0.00 N ATOM 109 CA TYR A 10 6.471 4.514 -6.214 1.00 0.00 C ATOM 110 C TYR A 10 7.815 4.171 -5.531 1.00 0.00 C ATOM 111 O TYR A 10 8.519 3.246 -5.954 1.00 0.00 O ATOM 112 CB TYR A 10 6.065 3.492 -7.292 1.00 0.00 C ATOM 113 CG TYR A 10 4.712 3.712 -7.951 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.540 4.751 -8.890 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.621 2.878 -7.627 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.286 4.978 -9.477 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.355 3.113 -8.203 1.00 0.00 C ATOM 118 CZ TYR A 10 2.186 4.163 -9.134 1.00 0.00 C ATOM 119 OH TYR A 10 0.969 4.399 -9.699 1.00 0.00 O ATOM 0 H TYR A 10 5.558 6.376 -6.513 1.00 0.00 H new ATOM 0 HA TYR A 10 5.728 4.452 -5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.829 3.493 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.069 2.499 -6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.379 5.376 -9.159 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.755 2.058 -6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.162 5.778 -10.192 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.515 2.491 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 10 0.319 3.750 -9.359 1.00 0.00 H new ATOM 129 N PRO A 11 8.199 4.916 -4.475 1.00 0.00 N ATOM 130 CA PRO A 11 9.461 4.710 -3.765 1.00 0.00 C ATOM 131 C PRO A 11 9.522 3.329 -3.102 1.00 0.00 C ATOM 132 O PRO A 11 8.518 2.849 -2.579 1.00 0.00 O ATOM 133 CB PRO A 11 9.495 5.833 -2.722 1.00 0.00 C ATOM 134 CG PRO A 11 8.024 6.122 -2.448 1.00 0.00 C ATOM 135 CD PRO A 11 7.441 5.997 -3.850 1.00 0.00 C ATOM 0 HA PRO A 11 10.319 4.739 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.017 5.522 -1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.012 6.715 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.585 5.406 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.870 7.114 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.376 5.765 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.547 6.928 -4.407 1.00 0.00 H new ATOM 143 N ASN A 12 10.682 2.673 -3.068 1.00 0.00 N ATOM 144 CA ASN A 12 10.794 1.394 -2.362 1.00 0.00 C ATOM 145 C ASN A 12 10.861 1.651 -0.846 1.00 0.00 C ATOM 146 O ASN A 12 11.454 2.641 -0.403 1.00 0.00 O ATOM 147 CB ASN A 12 12.010 0.610 -2.879 1.00 0.00 C ATOM 148 CG ASN A 12 11.924 0.265 -4.360 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.803 0.592 -5.145 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.874 -0.390 -4.803 1.00 0.00 N ATOM 0 H ASN A 12 11.542 2.996 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 12 9.914 0.780 -2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.912 1.196 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.110 -0.311 -2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.798 -0.621 -5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.136 -0.667 -4.156 1.00 0.00 H new ATOM 157 N ARG A 13 10.241 0.776 -0.040 1.00 0.00 N ATOM 158 CA ARG A 13 10.131 0.932 1.428 1.00 0.00 C ATOM 159 C ARG A 13 10.784 -0.189 2.237 1.00 0.00 C ATOM 160 O ARG A 13 10.307 -0.545 3.315 1.00 0.00 O ATOM 161 CB ARG A 13 8.658 1.154 1.825 1.00 0.00 C ATOM 162 CG ARG A 13 7.923 2.312 1.134 1.00 0.00 C ATOM 163 CD ARG A 13 8.638 3.674 1.134 1.00 0.00 C ATOM 164 NE ARG A 13 9.141 4.061 2.467 1.00 0.00 N ATOM 165 CZ ARG A 13 10.381 4.367 2.808 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.385 4.304 1.977 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.646 4.744 4.026 1.00 0.00 N ATOM 0 H ARG A 13 9.795 -0.072 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 13 10.710 1.818 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.109 0.234 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.617 1.320 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.732 2.026 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.953 2.436 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.472 3.641 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.950 4.439 0.775 1.00 0.00 H new ATOM 0 HE ARG A 13 8.448 4.097 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.231 4.007 1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.323 4.551 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.897 4.803 4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.602 4.980 4.290 1.00 0.00 H new ATOM 181 N GLY A 14 11.853 -0.778 1.703 1.00 0.00 N ATOM 182 CA GLY A 14 12.589 -1.873 2.358 1.00 0.00 C ATOM 183 C GLY A 14 11.697 -3.071 2.710 1.00 0.00 C ATOM 184 O GLY A 14 11.862 -3.678 3.768 1.00 0.00 O ATOM 0 H GLY A 14 12.240 -0.511 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.393 -2.206 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.056 -1.496 3.268 1.00 0.00 H new ATOM 188 N ASN A 15 10.736 -3.362 1.821 1.00 0.00 N ATOM 189 CA ASN A 15 9.735 -4.438 1.865 1.00 0.00 C ATOM 190 C ASN A 15 8.460 -4.105 2.692 1.00 0.00 C ATOM 191 O ASN A 15 7.613 -4.979 2.884 1.00 0.00 O ATOM 192 CB ASN A 15 10.353 -5.797 2.272 1.00 0.00 C ATOM 193 CG ASN A 15 11.556 -6.300 1.482 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.200 -5.612 0.700 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.900 -7.553 1.675 1.00 0.00 N ATOM 0 H ASN A 15 10.630 -2.799 0.977 1.00 0.00 H new ATOM 0 HA ASN A 15 9.385 -4.529 0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.645 -5.731 3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.570 -6.553 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.698 -7.946 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.369 -8.133 2.325 1.00 0.00 H new ATOM 202 N THR A 16 8.278 -2.868 3.180 1.00 0.00 N ATOM 203 CA THR A 16 7.098 -2.470 3.982 1.00 0.00 C ATOM 204 C THR A 16 5.825 -2.415 3.123 1.00 0.00 C ATOM 205 O THR A 16 5.758 -1.597 2.209 1.00 0.00 O ATOM 206 CB THR A 16 7.346 -1.097 4.636 1.00 0.00 C ATOM 207 OG1 THR A 16 8.470 -1.155 5.489 1.00 0.00 O ATOM 208 CG2 THR A 16 6.175 -0.591 5.477 1.00 0.00 C ATOM 0 H THR A 16 8.944 -2.110 3.032 1.00 0.00 H new ATOM 0 HA THR A 16 6.950 -3.223 4.756 1.00 0.00 H new ATOM 0 HB THR A 16 7.496 -0.411 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.281 -0.959 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.426 0.380 5.904 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.291 -0.493 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.972 -1.299 6.281 1.00 0.00 H new ATOM 216 N CYS A 17 4.812 -3.247 3.409 1.00 0.00 N ATOM 217 CA CYS A 17 3.545 -3.303 2.667 1.00 0.00 C ATOM 218 C CYS A 17 2.359 -3.031 3.614 1.00 0.00 C ATOM 219 O CYS A 17 2.056 -3.854 4.482 1.00 0.00 O ATOM 220 CB CYS A 17 3.419 -4.679 1.992 1.00 0.00 C ATOM 221 SG CYS A 17 4.825 -5.021 0.892 1.00 0.00 S ATOM 0 H CYS A 17 4.853 -3.914 4.180 1.00 0.00 H new ATOM 0 HA CYS A 17 3.532 -2.532 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.358 -5.454 2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.492 -4.720 1.421 1.00 0.00 H new ATOM 0 HG CYS A 17 5.924 -5.040 1.586 1.00 0.00 H new ATOM 227 N LEU A 18 1.712 -1.869 3.463 1.00 0.00 N ATOM 228 CA LEU A 18 0.619 -1.365 4.313 1.00 0.00 C ATOM 229 C LEU A 18 -0.695 -1.139 3.554 1.00 0.00 C ATOM 230 O LEU A 18 -0.717 -0.696 2.405 1.00 0.00 O ATOM 231 CB LEU A 18 1.074 -0.044 4.977 1.00 0.00 C ATOM 232 CG LEU A 18 1.779 -0.159 6.343 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.855 -1.237 6.411 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.416 1.185 6.699 1.00 0.00 C ATOM 0 H LEU A 18 1.945 -1.222 2.710 1.00 0.00 H new ATOM 0 HA LEU A 18 0.410 -2.131 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.747 0.467 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.199 0.594 5.099 1.00 0.00 H new ATOM 0 HG LEU A 18 1.003 -0.446 7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.298 -1.247 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.409 -2.210 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.628 -1.026 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.915 1.107 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.144 1.456 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.643 1.952 6.752 1.00 0.00 H new ATOM 246 N GLU A 19 -1.797 -1.395 4.259 1.00 0.00 N ATOM 247 CA GLU A 19 -3.182 -1.194 3.821 1.00 0.00 C ATOM 248 C GLU A 19 -3.769 0.158 4.265 1.00 0.00 C ATOM 249 O GLU A 19 -4.909 0.462 3.914 1.00 0.00 O ATOM 250 CB GLU A 19 -4.080 -2.328 4.357 1.00 0.00 C ATOM 251 CG GLU A 19 -4.330 -2.353 5.875 1.00 0.00 C ATOM 252 CD GLU A 19 -3.140 -2.906 6.685 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.170 -2.150 6.931 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.178 -4.092 7.095 1.00 0.00 O ATOM 0 H GLU A 19 -1.746 -1.770 5.206 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.160 -1.201 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.045 -2.264 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.633 -3.280 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.552 -1.342 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.212 -2.960 6.080 1.00 0.00 H new ATOM 261 N ASN A 20 -3.036 0.951 5.054 1.00 0.00 N ATOM 262 CA ASN A 20 -3.491 2.249 5.576 1.00 0.00 C ATOM 263 C ASN A 20 -2.343 3.267 5.735 1.00 0.00 C ATOM 264 O ASN A 20 -1.184 2.890 5.938 1.00 0.00 O ATOM 265 CB ASN A 20 -4.188 2.037 6.939 1.00 0.00 C ATOM 266 CG ASN A 20 -5.661 1.690 6.823 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.424 2.336 6.116 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.125 0.681 7.525 1.00 0.00 N ATOM 0 H ASN A 20 -2.092 0.706 5.354 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.187 2.665 4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.677 1.239 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.083 2.943 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.115 0.440 7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.495 0.138 8.116 1.00 0.00 H new ATOM 275 N GLY A 21 -2.690 4.559 5.693 1.00 0.00 N ATOM 276 CA GLY A 21 -1.778 5.698 5.877 1.00 0.00 C ATOM 277 C GLY A 21 -1.585 6.570 4.627 1.00 0.00 C ATOM 278 O GLY A 21 -2.217 6.346 3.594 1.00 0.00 O ATOM 0 H GLY A 21 -3.652 4.853 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.157 6.323 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.806 5.321 6.195 1.00 0.00 H new ATOM 282 N SER A 22 -0.696 7.562 4.750 1.00 0.00 N ATOM 283 CA SER A 22 -0.259 8.515 3.710 1.00 0.00 C ATOM 284 C SER A 22 1.198 8.896 3.997 1.00 0.00 C ATOM 285 O SER A 22 1.500 9.407 5.079 1.00 0.00 O ATOM 286 CB SER A 22 -1.113 9.791 3.707 1.00 0.00 C ATOM 287 OG SER A 22 -2.425 9.541 3.226 1.00 0.00 O ATOM 0 H SER A 22 -0.227 7.737 5.639 1.00 0.00 H new ATOM 0 HA SER A 22 -0.367 8.039 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.166 10.196 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.635 10.548 3.085 1.00 0.00 H new ATOM 0 HG SER A 22 -2.377 9.184 2.315 1.00 0.00 H new ATOM 293 N PHE A 23 2.122 8.602 3.079 1.00 0.00 N ATOM 294 CA PHE A 23 3.567 8.793 3.277 1.00 0.00 C ATOM 295 C PHE A 23 4.075 10.244 3.208 1.00 0.00 C ATOM 296 O PHE A 23 4.658 10.694 2.219 1.00 0.00 O ATOM 297 CB PHE A 23 4.323 7.848 2.340 1.00 0.00 C ATOM 298 CG PHE A 23 5.810 7.662 2.600 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.351 7.733 3.901 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.660 7.364 1.519 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.727 7.542 4.105 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.041 7.198 1.720 1.00 0.00 C ATOM 303 CZ PHE A 23 8.581 7.326 3.012 1.00 0.00 C ATOM 0 H PHE A 23 1.887 8.219 2.163 1.00 0.00 H new ATOM 0 HA PHE A 23 3.775 8.536 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.846 6.869 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.200 8.212 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.705 7.935 4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.248 7.262 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.130 7.561 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.686 6.973 0.884 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.648 7.258 3.163 1.00 0.00 H new ATOM 313 N LEU A 24 3.855 10.993 4.289 1.00 0.00 N ATOM 314 CA LEU A 24 4.218 12.406 4.425 1.00 0.00 C ATOM 315 C LEU A 24 5.689 12.747 4.103 1.00 0.00 C ATOM 316 O LEU A 24 5.971 13.848 3.634 1.00 0.00 O ATOM 317 CB LEU A 24 3.848 12.906 5.834 1.00 0.00 C ATOM 318 CG LEU A 24 2.396 12.659 6.296 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.147 13.392 7.614 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.347 13.123 5.284 1.00 0.00 C ATOM 0 H LEU A 24 3.403 10.620 5.124 1.00 0.00 H new ATOM 0 HA LEU A 24 3.640 12.927 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.519 12.432 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.041 13.978 5.877 1.00 0.00 H new ATOM 0 HG LEU A 24 2.291 11.580 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.122 13.217 7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.837 13.021 8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.305 14.461 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.350 12.919 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.457 14.194 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.486 12.588 4.345 1.00 0.00 H new ATOM 332 N LEU A 25 6.624 11.812 4.315 1.00 0.00 N ATOM 333 CA LEU A 25 8.053 11.985 3.994 1.00 0.00 C ATOM 334 C LEU A 25 8.350 11.988 2.476 1.00 0.00 C ATOM 335 O LEU A 25 9.436 12.405 2.070 1.00 0.00 O ATOM 336 CB LEU A 25 8.884 10.908 4.718 1.00 0.00 C ATOM 337 CG LEU A 25 8.909 11.023 6.256 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.777 9.908 6.843 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.473 12.357 6.750 1.00 0.00 C ATOM 0 H LEU A 25 6.410 10.901 4.720 1.00 0.00 H new ATOM 0 HA LEU A 25 8.342 12.974 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.492 9.927 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.909 10.953 4.349 1.00 0.00 H new ATOM 0 HG LEU A 25 7.872 10.946 6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.792 9.993 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.365 8.939 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.793 9.997 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.463 12.375 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.497 12.473 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.861 13.174 6.368 1.00 0.00 H new ATOM 351 N ASN A 26 7.393 11.572 1.636 1.00 0.00 N ATOM 352 CA ASN A 26 7.487 11.591 0.171 1.00 0.00 C ATOM 353 C ASN A 26 6.527 12.636 -0.413 1.00 0.00 C ATOM 354 O ASN A 26 6.824 13.206 -1.456 1.00 0.00 O ATOM 355 CB ASN A 26 7.184 10.182 -0.357 1.00 0.00 C ATOM 356 CG ASN A 26 7.561 9.994 -1.820 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.645 10.345 -2.258 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.727 9.375 -2.614 1.00 0.00 N ATOM 0 H ASN A 26 6.503 11.201 1.969 1.00 0.00 H new ATOM 0 HA ASN A 26 8.493 11.874 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.723 9.452 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.121 9.976 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.986 9.192 -3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.817 9.075 -2.264 1.00 0.00 H new ATOM 365 N PHE A 27 5.404 12.932 0.251 1.00 0.00 N ATOM 366 CA PHE A 27 4.496 14.004 -0.182 1.00 0.00 C ATOM 367 C PHE A 27 5.177 15.372 -0.004 1.00 0.00 C ATOM 368 O PHE A 27 5.395 15.839 1.115 1.00 0.00 O ATOM 369 CB PHE A 27 3.170 13.959 0.584 1.00 0.00 C ATOM 370 CG PHE A 27 2.150 15.020 0.176 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.666 15.089 -1.148 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.646 15.919 1.136 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.658 16.010 -1.504 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.641 16.841 0.784 1.00 0.00 C ATOM 375 CZ PHE A 27 0.134 16.871 -0.527 1.00 0.00 C ATOM 0 H PHE A 27 5.100 12.443 1.093 1.00 0.00 H new ATOM 0 HA PHE A 27 4.270 13.853 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.722 12.975 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.379 14.068 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.073 14.428 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.031 15.901 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.293 16.052 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.258 17.528 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.660 17.557 -0.783 1.00 0.00 H new ATOM 385 N THR A 28 5.501 16.034 -1.112 1.00 0.00 N ATOM 386 CA THR A 28 6.143 17.368 -1.117 1.00 0.00 C ATOM 387 C THR A 28 5.124 18.510 -1.056 1.00 0.00 C ATOM 388 O THR A 28 5.502 19.684 -0.983 1.00 0.00 O ATOM 389 CB THR A 28 7.028 17.563 -2.361 1.00 0.00 C ATOM 390 OG1 THR A 28 6.287 17.347 -3.541 1.00 0.00 O ATOM 391 CG2 THR A 28 8.196 16.583 -2.374 1.00 0.00 C ATOM 0 H THR A 28 5.328 15.665 -2.047 1.00 0.00 H new ATOM 0 HA THR A 28 6.759 17.402 -0.218 1.00 0.00 H new ATOM 0 HB THR A 28 7.399 18.587 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.867 17.477 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.800 16.749 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.810 16.737 -1.486 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.814 15.562 -2.379 1.00 0.00 H new ATOM 399 N GLY A 29 3.834 18.174 -1.086 1.00 0.00 N ATOM 400 CA GLY A 29 2.711 19.099 -1.145 1.00 0.00 C ATOM 401 C GLY A 29 2.161 19.131 -2.577 1.00 0.00 C ATOM 402 O GLY A 29 2.921 18.950 -3.534 1.00 0.00 O ATOM 0 H GLY A 29 3.533 17.200 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.931 18.788 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.029 20.097 -0.842 1.00 0.00 H new ATOM 406 N CYS A 30 0.855 19.356 -2.710 1.00 0.00 N ATOM 407 CA CYS A 30 0.121 19.379 -3.968 1.00 0.00 C ATOM 408 C CYS A 30 0.720 20.314 -5.025 1.00 0.00 C ATOM 409 O CYS A 30 1.538 21.200 -4.742 1.00 0.00 O ATOM 410 CB CYS A 30 -1.348 19.752 -3.677 1.00 0.00 C ATOM 411 SG CYS A 30 -2.487 19.258 -5.032 1.00 0.00 S ATOM 0 H CYS A 30 0.255 19.535 -1.905 1.00 0.00 H new ATOM 0 HA CYS A 30 0.189 18.381 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.663 19.273 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.421 20.828 -3.521 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.665 19.012 -4.540 1.00 0.00 H new ATOM 416 N ALA A 31 0.229 20.163 -6.243 1.00 0.00 N ATOM 417 CA ALA A 31 0.528 21.045 -7.361 1.00 0.00 C ATOM 418 C ALA A 31 -0.747 21.606 -8.021 1.00 0.00 C ATOM 419 O ALA A 31 -0.644 22.585 -8.771 1.00 0.00 O ATOM 420 CB ALA A 31 1.498 20.396 -8.349 1.00 0.00 C ATOM 0 H ALA A 31 -0.406 19.404 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 31 1.048 21.916 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.697 21.085 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.432 20.159 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.057 19.480 -8.743 1.00 0.00 H new ATOM 426 N VAL A 32 -1.944 21.087 -7.704 1.00 0.00 N ATOM 427 CA VAL A 32 -3.207 21.683 -8.161 1.00 0.00 C ATOM 428 C VAL A 32 -3.477 22.969 -7.361 1.00 0.00 C ATOM 429 O VAL A 32 -3.986 23.943 -7.929 1.00 0.00 O ATOM 430 CB VAL A 32 -4.400 20.694 -8.064 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.787 21.344 -8.209 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.340 19.636 -9.176 1.00 0.00 C ATOM 0 H VAL A 32 -2.062 20.252 -7.130 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.107 21.928 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.293 20.273 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.558 20.578 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.926 22.084 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.860 21.832 -9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.189 18.959 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.376 20.128 -10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.413 19.070 -9.090 1.00 0.00 H new ATOM 442 N CYS A 33 -3.108 22.995 -6.072 1.00 0.00 N ATOM 443 CA CYS A 33 -3.305 24.115 -5.144 1.00 0.00 C ATOM 444 C CYS A 33 -2.070 24.541 -4.307 1.00 0.00 C ATOM 445 O CYS A 33 -2.071 25.646 -3.750 1.00 0.00 O ATOM 446 CB CYS A 33 -4.442 23.731 -4.196 1.00 0.00 C ATOM 447 SG CYS A 33 -3.920 22.353 -3.119 1.00 0.00 S ATOM 0 H CYS A 33 -2.644 22.201 -5.630 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.525 24.984 -5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.726 24.590 -3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.322 23.441 -4.770 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.463 21.380 -3.850 1.00 0.00 H new ATOM 452 N SER A 34 -1.023 23.705 -4.226 1.00 0.00 N ATOM 453 CA SER A 34 0.236 23.948 -3.486 1.00 0.00 C ATOM 454 C SER A 34 0.188 23.692 -1.954 1.00 0.00 C ATOM 455 O SER A 34 1.074 24.149 -1.224 1.00 0.00 O ATOM 456 CB SER A 34 0.832 25.327 -3.843 1.00 0.00 C ATOM 457 OG SER A 34 2.251 25.329 -3.743 1.00 0.00 O ATOM 0 H SER A 34 -1.026 22.799 -4.694 1.00 0.00 H new ATOM 0 HA SER A 34 0.917 23.172 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.538 25.599 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.419 26.085 -3.177 1.00 0.00 H new ATOM 0 HG SER A 34 2.520 24.920 -2.894 1.00 0.00 H new ATOM 463 N LYS A 35 -0.809 22.964 -1.419 1.00 0.00 N ATOM 464 CA LYS A 35 -0.913 22.653 0.032 1.00 0.00 C ATOM 465 C LYS A 35 -0.087 21.423 0.441 1.00 0.00 C ATOM 466 O LYS A 35 0.019 20.459 -0.312 1.00 0.00 O ATOM 467 CB LYS A 35 -2.385 22.422 0.407 1.00 0.00 C ATOM 468 CG LYS A 35 -3.156 23.746 0.553 1.00 0.00 C ATOM 469 CD LYS A 35 -3.662 23.922 1.989 1.00 0.00 C ATOM 470 CE LYS A 35 -4.447 25.225 2.204 1.00 0.00 C ATOM 471 NZ LYS A 35 -3.585 26.434 2.120 1.00 0.00 N ATOM 0 H LYS A 35 -1.569 22.571 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.508 23.510 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.862 21.807 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.438 21.866 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.509 24.581 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.998 23.761 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.299 23.076 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.812 23.902 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.238 25.295 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.931 25.196 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.164 27.284 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.845 26.384 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.142 26.480 1.180 1.00 0.00 H new ATOM 485 N ARG A 36 0.448 21.417 1.668 1.00 0.00 N ATOM 486 CA ARG A 36 1.218 20.306 2.279 1.00 0.00 C ATOM 487 C ARG A 36 0.554 19.872 3.596 1.00 0.00 C ATOM 488 O ARG A 36 -0.255 20.619 4.139 1.00 0.00 O ATOM 489 CB ARG A 36 2.687 20.724 2.430 1.00 0.00 C ATOM 490 CG ARG A 36 3.601 19.585 2.918 1.00 0.00 C ATOM 491 CD ARG A 36 5.054 19.766 2.473 1.00 0.00 C ATOM 492 NE ARG A 36 5.618 21.071 2.873 1.00 0.00 N ATOM 493 CZ ARG A 36 6.114 22.011 2.083 1.00 0.00 C ATOM 494 NH1 ARG A 36 6.176 21.894 0.784 1.00 0.00 N ATOM 495 NH2 ARG A 36 6.565 23.118 2.599 1.00 0.00 N ATOM 0 H ARG A 36 0.357 22.216 2.296 1.00 0.00 H new ATOM 0 HA ARG A 36 1.211 19.428 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.054 21.088 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.750 21.556 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.562 19.533 4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.225 18.635 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.661 18.967 2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.112 19.667 1.389 1.00 0.00 H new ATOM 0 HE ARG A 36 5.626 21.271 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.832 21.047 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.568 22.650 0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.536 23.259 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.948 23.844 1.993 1.00 0.00 H new ATOM 509 N ASP A 37 0.858 18.663 4.083 1.00 0.00 N ATOM 510 CA ASP A 37 0.260 18.021 5.279 1.00 0.00 C ATOM 511 C ASP A 37 -1.287 18.001 5.308 1.00 0.00 C ATOM 512 O ASP A 37 -1.938 17.965 6.354 1.00 0.00 O ATOM 513 CB ASP A 37 0.920 18.506 6.578 1.00 0.00 C ATOM 514 CG ASP A 37 0.721 19.990 6.949 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.280 20.331 7.626 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.625 20.808 6.652 1.00 0.00 O ATOM 0 H ASP A 37 1.560 18.071 3.639 1.00 0.00 H new ATOM 0 HA ASP A 37 0.500 16.961 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.541 17.897 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.991 18.315 6.507 1.00 0.00 H new ATOM 521 N PHE A 38 -1.862 18.008 4.107 1.00 0.00 N ATOM 522 CA PHE A 38 -3.285 18.050 3.775 1.00 0.00 C ATOM 523 C PHE A 38 -3.694 16.862 2.899 1.00 0.00 C ATOM 524 O PHE A 38 -3.499 16.872 1.684 1.00 0.00 O ATOM 525 CB PHE A 38 -3.629 19.387 3.093 1.00 0.00 C ATOM 526 CG PHE A 38 -4.053 20.519 4.017 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.280 20.913 5.126 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.266 21.185 3.756 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.694 21.988 5.933 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.677 22.267 4.553 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.888 22.672 5.642 1.00 0.00 C ATOM 0 H PHE A 38 -1.290 17.982 3.263 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.853 17.975 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.759 19.716 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.431 19.210 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.365 20.388 5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.887 20.861 2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.093 22.289 6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.597 22.786 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.197 23.506 6.254 1.00 0.00 H new ATOM 541 N MET A 39 -4.305 15.849 3.516 1.00 0.00 N ATOM 542 CA MET A 39 -4.825 14.670 2.808 1.00 0.00 C ATOM 543 C MET A 39 -5.881 13.863 3.578 1.00 0.00 C ATOM 544 O MET A 39 -5.869 13.774 4.807 1.00 0.00 O ATOM 545 CB MET A 39 -3.708 13.722 2.324 1.00 0.00 C ATOM 546 CG MET A 39 -2.590 13.459 3.345 1.00 0.00 C ATOM 547 SD MET A 39 -0.959 14.119 2.900 1.00 0.00 S ATOM 548 CE MET A 39 -0.622 13.146 1.406 1.00 0.00 C ATOM 0 H MET A 39 -4.455 15.820 4.524 1.00 0.00 H new ATOM 0 HA MET A 39 -5.328 15.106 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.157 12.768 2.046 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.263 14.140 1.421 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.887 13.887 4.302 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.500 12.383 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.449 12.956 1.329 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.156 12.197 1.462 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.956 13.699 0.528 1.00 0.00 H new ATOM 558 N LEU A 40 -6.759 13.246 2.786 1.00 0.00 N ATOM 559 CA LEU A 40 -7.883 12.361 3.097 1.00 0.00 C ATOM 560 C LEU A 40 -7.742 11.065 2.274 1.00 0.00 C ATOM 561 O LEU A 40 -6.971 11.003 1.313 1.00 0.00 O ATOM 562 CB LEU A 40 -9.201 13.080 2.710 1.00 0.00 C ATOM 563 CG LEU A 40 -9.907 13.954 3.764 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.907 13.123 4.573 1.00 0.00 C ATOM 565 CD2 LEU A 40 -8.989 14.626 4.768 1.00 0.00 C ATOM 0 H LEU A 40 -6.688 13.373 1.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.893 12.118 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.992 13.710 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.909 12.318 2.385 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.387 14.734 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.395 13.759 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.658 12.704 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.381 12.314 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.583 15.217 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.433 13.867 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.291 15.278 4.243 1.00 0.00 H new ATOM 577 N ILE A 41 -8.530 10.046 2.617 1.00 0.00 N ATOM 578 CA ILE A 41 -8.616 8.754 1.927 1.00 0.00 C ATOM 579 C ILE A 41 -10.101 8.480 1.675 1.00 0.00 C ATOM 580 O ILE A 41 -10.936 8.685 2.561 1.00 0.00 O ATOM 581 CB ILE A 41 -7.963 7.642 2.783 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.430 7.838 2.854 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.312 6.239 2.240 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.735 6.948 3.893 1.00 0.00 C ATOM 0 H ILE A 41 -9.156 10.099 3.421 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.076 8.773 0.980 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.366 7.716 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.002 7.635 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.218 8.882 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.839 5.480 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.393 6.101 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.951 6.145 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.663 7.144 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.133 7.166 4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.914 5.900 3.653 1.00 0.00 H new ATOM 596 N THR A 42 -10.438 8.008 0.474 1.00 0.00 N ATOM 597 CA THR A 42 -11.821 7.672 0.096 1.00 0.00 C ATOM 598 C THR A 42 -11.866 6.522 -0.916 1.00 0.00 C ATOM 599 O THR A 42 -10.825 6.080 -1.406 1.00 0.00 O ATOM 600 CB THR A 42 -12.566 8.928 -0.407 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.941 8.793 -0.108 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.475 9.165 -1.917 1.00 0.00 C ATOM 0 H THR A 42 -9.760 7.846 -0.271 1.00 0.00 H new ATOM 0 HA THR A 42 -12.342 7.317 0.985 1.00 0.00 H new ATOM 0 HB THR A 42 -12.086 9.769 0.094 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.423 9.586 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.027 10.068 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.430 9.283 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.903 8.313 -2.445 1.00 0.00 H new ATOM 610 N ASN A 43 -13.072 6.040 -1.239 1.00 0.00 N ATOM 611 CA ASN A 43 -13.379 4.959 -2.197 1.00 0.00 C ATOM 612 C ASN A 43 -12.700 3.595 -1.903 1.00 0.00 C ATOM 613 O ASN A 43 -12.670 2.704 -2.755 1.00 0.00 O ATOM 614 CB ASN A 43 -13.259 5.507 -3.644 1.00 0.00 C ATOM 615 CG ASN A 43 -12.095 5.005 -4.490 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.272 4.457 -5.571 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.879 5.201 -4.048 1.00 0.00 N ATOM 0 H ASN A 43 -13.919 6.416 -0.813 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.419 4.662 -2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.184 5.272 -4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.191 6.593 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.079 4.897 -4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.731 5.657 -3.148 1.00 0.00 H new ATOM 624 N LYS A 44 -12.165 3.438 -0.683 1.00 0.00 N ATOM 625 CA LYS A 44 -11.451 2.258 -0.180 1.00 0.00 C ATOM 626 C LYS A 44 -12.224 0.953 -0.403 1.00 0.00 C ATOM 627 O LYS A 44 -13.263 0.714 0.216 1.00 0.00 O ATOM 628 CB LYS A 44 -11.124 2.465 1.309 1.00 0.00 C ATOM 629 CG LYS A 44 -9.960 1.581 1.776 1.00 0.00 C ATOM 630 CD LYS A 44 -9.884 1.471 3.304 1.00 0.00 C ATOM 631 CE LYS A 44 -8.600 0.742 3.719 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.402 1.609 3.584 1.00 0.00 N ATOM 0 H LYS A 44 -12.223 4.176 0.019 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.527 2.155 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.875 3.512 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.008 2.244 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.070 0.585 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.023 1.989 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.906 2.466 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.754 0.934 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.691 0.407 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.474 -0.149 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.588 1.033 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.584 2.344 2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.193 2.058 4.499 1.00 0.00 H new ATOM 646 N SER A 45 -11.695 0.117 -1.287 1.00 0.00 N ATOM 647 CA SER A 45 -12.225 -1.198 -1.645 1.00 0.00 C ATOM 648 C SER A 45 -11.367 -2.331 -1.078 1.00 0.00 C ATOM 649 O SER A 45 -10.169 -2.173 -0.827 1.00 0.00 O ATOM 650 CB SER A 45 -12.315 -1.307 -3.171 1.00 0.00 C ATOM 651 OG SER A 45 -13.295 -0.412 -3.676 1.00 0.00 O ATOM 0 H SER A 45 -10.844 0.346 -1.800 1.00 0.00 H new ATOM 0 HA SER A 45 -13.218 -1.299 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.345 -1.083 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.567 -2.329 -3.454 1.00 0.00 H new ATOM 0 HG SER A 45 -13.103 0.496 -3.360 1.00 0.00 H new ATOM 657 N LEU A 46 -11.990 -3.498 -0.909 1.00 0.00 N ATOM 658 CA LEU A 46 -11.375 -4.725 -0.404 1.00 0.00 C ATOM 659 C LEU A 46 -11.921 -5.941 -1.164 1.00 0.00 C ATOM 660 O LEU A 46 -13.121 -6.030 -1.442 1.00 0.00 O ATOM 661 CB LEU A 46 -11.571 -4.829 1.122 1.00 0.00 C ATOM 662 CG LEU A 46 -11.132 -6.188 1.726 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.531 -5.988 3.118 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.294 -7.176 1.879 1.00 0.00 C ATOM 0 H LEU A 46 -12.979 -3.618 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.300 -4.700 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.008 -4.030 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.623 -4.663 1.354 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.402 -6.596 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.229 -6.953 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.661 -5.335 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.274 -5.534 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.925 -8.108 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.050 -6.749 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.734 -7.374 0.902 1.00 0.00 H new ATOM 676 N LYS A 47 -11.022 -6.865 -1.507 1.00 0.00 N ATOM 677 CA LYS A 47 -11.282 -8.102 -2.247 1.00 0.00 C ATOM 678 C LYS A 47 -10.643 -9.298 -1.557 1.00 0.00 C ATOM 679 O LYS A 47 -9.574 -9.164 -0.969 1.00 0.00 O ATOM 680 CB LYS A 47 -10.727 -7.991 -3.673 1.00 0.00 C ATOM 681 CG LYS A 47 -11.648 -8.630 -4.712 1.00 0.00 C ATOM 682 CD LYS A 47 -10.943 -8.783 -6.066 1.00 0.00 C ATOM 683 CE LYS A 47 -11.902 -9.393 -7.095 1.00 0.00 C ATOM 684 NZ LYS A 47 -11.177 -9.837 -8.311 1.00 0.00 N ATOM 0 H LYS A 47 -10.037 -6.765 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.362 -8.249 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.579 -6.940 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.749 -8.469 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.975 -9.608 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.542 -8.019 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.594 -7.811 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.063 -9.417 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.424 -10.240 -6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.660 -8.659 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.857 -10.214 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.671 -9.030 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.494 -10.579 -8.057 1.00 0.00 H new ATOM 698 N GLU A 48 -11.268 -10.464 -1.637 1.00 0.00 N ATOM 699 CA GLU A 48 -10.675 -11.695 -1.092 1.00 0.00 C ATOM 700 C GLU A 48 -10.901 -12.882 -2.046 1.00 0.00 C ATOM 701 O GLU A 48 -12.038 -13.303 -2.275 1.00 0.00 O ATOM 702 CB GLU A 48 -11.294 -12.004 0.283 1.00 0.00 C ATOM 703 CG GLU A 48 -11.085 -10.923 1.351 1.00 0.00 C ATOM 704 CD GLU A 48 -11.700 -11.372 2.691 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.047 -12.135 3.445 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.853 -10.979 2.998 1.00 0.00 O ATOM 0 H GLU A 48 -12.182 -10.592 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.601 -11.543 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.365 -12.163 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.875 -12.941 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.020 -10.729 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.543 -9.988 1.027 1.00 0.00 H new ATOM 713 N GLU A 49 -9.815 -13.446 -2.585 1.00 0.00 N ATOM 714 CA GLU A 49 -9.809 -14.655 -3.423 1.00 0.00 C ATOM 715 C GLU A 49 -8.990 -15.809 -2.823 1.00 0.00 C ATOM 716 O GLU A 49 -7.777 -15.689 -2.687 1.00 0.00 O ATOM 717 CB GLU A 49 -9.338 -14.348 -4.853 1.00 0.00 C ATOM 718 CG GLU A 49 -10.321 -13.438 -5.608 1.00 0.00 C ATOM 719 CD GLU A 49 -9.902 -13.219 -7.075 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.819 -14.204 -7.848 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.706 -12.047 -7.481 1.00 0.00 O ATOM 0 H GLU A 49 -8.881 -13.061 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.845 -14.991 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.359 -13.870 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.216 -15.282 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.317 -13.879 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.383 -12.475 -5.102 1.00 0.00 H new ATOM 728 N ASP A 50 -9.599 -16.969 -2.581 1.00 0.00 N ATOM 729 CA ASP A 50 -8.942 -18.232 -2.164 1.00 0.00 C ATOM 730 C ASP A 50 -7.871 -18.173 -1.033 1.00 0.00 C ATOM 731 O ASP A 50 -7.022 -19.060 -0.914 1.00 0.00 O ATOM 732 CB ASP A 50 -8.381 -18.875 -3.450 1.00 0.00 C ATOM 733 CG ASP A 50 -8.103 -20.385 -3.320 1.00 0.00 C ATOM 734 OD1 ASP A 50 -8.978 -21.127 -2.808 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.036 -20.851 -3.790 1.00 0.00 O ATOM 0 H ASP A 50 -10.610 -17.071 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.710 -18.829 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.088 -18.714 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.457 -18.367 -3.726 1.00 0.00 H new ATOM 740 N GLY A 51 -7.887 -17.122 -0.211 1.00 0.00 N ATOM 741 CA GLY A 51 -6.929 -16.850 0.880 1.00 0.00 C ATOM 742 C GLY A 51 -6.148 -15.542 0.686 1.00 0.00 C ATOM 743 O GLY A 51 -5.651 -14.969 1.656 1.00 0.00 O ATOM 0 H GLY A 51 -8.601 -16.397 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.468 -16.807 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.225 -17.679 0.952 1.00 0.00 H new ATOM 747 N GLU A 52 -6.072 -15.039 -0.548 1.00 0.00 N ATOM 748 CA GLU A 52 -5.471 -13.749 -0.892 1.00 0.00 C ATOM 749 C GLU A 52 -6.435 -12.628 -0.480 1.00 0.00 C ATOM 750 O GLU A 52 -7.635 -12.706 -0.742 1.00 0.00 O ATOM 751 CB GLU A 52 -5.160 -13.696 -2.406 1.00 0.00 C ATOM 752 CG GLU A 52 -4.589 -12.362 -2.931 1.00 0.00 C ATOM 753 CD GLU A 52 -4.427 -12.322 -4.471 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.839 -13.267 -5.191 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.890 -11.312 -4.990 1.00 0.00 O ATOM 0 H GLU A 52 -6.439 -15.534 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.530 -13.618 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.450 -14.490 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.076 -13.917 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.245 -11.548 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.619 -12.184 -2.467 1.00 0.00 H new ATOM 762 N GLU A 53 -5.909 -11.565 0.121 1.00 0.00 N ATOM 763 CA GLU A 53 -6.636 -10.366 0.533 1.00 0.00 C ATOM 764 C GLU A 53 -6.068 -9.167 -0.230 1.00 0.00 C ATOM 765 O GLU A 53 -4.856 -8.963 -0.260 1.00 0.00 O ATOM 766 CB GLU A 53 -6.509 -10.136 2.049 1.00 0.00 C ATOM 767 CG GLU A 53 -7.106 -11.271 2.892 1.00 0.00 C ATOM 768 CD GLU A 53 -7.059 -10.934 4.397 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.775 -10.004 4.843 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.311 -11.602 5.152 1.00 0.00 O ATOM 0 H GLU A 53 -4.915 -11.513 0.345 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.695 -10.491 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.456 -10.020 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.005 -9.201 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.138 -11.449 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.556 -12.193 2.706 1.00 0.00 H new ATOM 777 N ILE A 54 -6.926 -8.362 -0.850 1.00 0.00 N ATOM 778 CA ILE A 54 -6.525 -7.207 -1.647 1.00 0.00 C ATOM 779 C ILE A 54 -7.210 -5.958 -1.100 1.00 0.00 C ATOM 780 O ILE A 54 -8.394 -5.999 -0.768 1.00 0.00 O ATOM 781 CB ILE A 54 -6.866 -7.412 -3.142 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.292 -8.730 -3.721 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.287 -6.227 -3.919 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.271 -9.914 -3.692 1.00 0.00 C ATOM 0 H ILE A 54 -7.936 -8.496 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.444 -7.086 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.950 -7.475 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.982 -8.556 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.397 -9.000 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.511 -6.343 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.730 -5.301 -3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.207 -6.193 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.789 -10.795 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.563 -10.120 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.157 -9.668 -4.278 1.00 0.00 H new ATOM 796 N VAL A 55 -6.481 -4.845 -1.032 1.00 0.00 N ATOM 797 CA VAL A 55 -6.981 -3.546 -0.580 1.00 0.00 C ATOM 798 C VAL A 55 -6.549 -2.476 -1.573 1.00 0.00 C ATOM 799 O VAL A 55 -5.355 -2.243 -1.765 1.00 0.00 O ATOM 800 CB VAL A 55 -6.422 -3.218 0.817 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.985 -1.895 1.335 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.734 -4.326 1.831 1.00 0.00 C ATOM 0 H VAL A 55 -5.497 -4.821 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.069 -3.577 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.340 -3.137 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.574 -1.687 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.712 -1.091 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.071 -1.962 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.322 -4.056 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.814 -4.449 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.288 -5.262 1.496 1.00 0.00 H new ATOM 812 N THR A 56 -7.512 -1.810 -2.204 1.00 0.00 N ATOM 813 CA THR A 56 -7.257 -0.713 -3.153 1.00 0.00 C ATOM 814 C THR A 56 -7.945 0.586 -2.721 1.00 0.00 C ATOM 815 O THR A 56 -9.111 0.571 -2.329 1.00 0.00 O ATOM 816 CB THR A 56 -7.559 -1.134 -4.600 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.935 -1.385 -4.794 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.804 -2.418 -4.974 1.00 0.00 C ATOM 0 H THR A 56 -8.503 -2.013 -2.075 1.00 0.00 H new ATOM 0 HA THR A 56 -6.190 -0.490 -3.133 1.00 0.00 H new ATOM 0 HB THR A 56 -7.238 -0.304 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.091 -1.648 -5.725 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.038 -2.691 -6.003 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.731 -2.250 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.106 -3.225 -4.307 1.00 0.00 H new ATOM 826 N TYR A 57 -7.252 1.725 -2.778 1.00 0.00 N ATOM 827 CA TYR A 57 -7.807 3.041 -2.418 1.00 0.00 C ATOM 828 C TYR A 57 -7.112 4.209 -3.138 1.00 0.00 C ATOM 829 O TYR A 57 -6.265 4.015 -4.015 1.00 0.00 O ATOM 830 CB TYR A 57 -7.831 3.221 -0.893 1.00 0.00 C ATOM 831 CG TYR A 57 -6.513 3.266 -0.138 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.937 2.073 0.336 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.926 4.505 0.194 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.804 2.120 1.171 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.797 4.555 1.032 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.241 3.362 1.542 1.00 0.00 C ATOM 837 OH TYR A 57 -3.200 3.408 2.416 1.00 0.00 O ATOM 0 H TYR A 57 -6.278 1.765 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.837 3.062 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.365 4.147 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.423 2.407 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.364 1.120 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.345 5.420 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.363 1.202 1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.355 5.507 1.285 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.028 4.338 2.671 1.00 0.00 H new ATOM 847 N ASP A 58 -7.442 5.437 -2.736 1.00 0.00 N ATOM 848 CA ASP A 58 -6.920 6.671 -3.318 1.00 0.00 C ATOM 849 C ASP A 58 -6.684 7.697 -2.191 1.00 0.00 C ATOM 850 O ASP A 58 -7.325 7.640 -1.135 1.00 0.00 O ATOM 851 CB ASP A 58 -8.002 7.267 -4.258 1.00 0.00 C ATOM 852 CG ASP A 58 -8.290 6.516 -5.577 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.560 5.292 -5.570 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.344 7.183 -6.637 1.00 0.00 O ATOM 0 H ASP A 58 -8.099 5.604 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.995 6.461 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.935 7.334 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.707 8.286 -4.508 1.00 0.00 H new ATOM 859 N HIS A 59 -5.819 8.679 -2.449 1.00 0.00 N ATOM 860 CA HIS A 59 -5.501 9.788 -1.539 1.00 0.00 C ATOM 861 C HIS A 59 -6.037 11.083 -2.161 1.00 0.00 C ATOM 862 O HIS A 59 -5.953 11.259 -3.376 1.00 0.00 O ATOM 863 CB HIS A 59 -3.986 9.905 -1.298 1.00 0.00 C ATOM 864 CG HIS A 59 -3.288 8.656 -0.800 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.904 8.392 0.500 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.706 7.687 -1.582 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.101 7.313 0.488 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.950 6.843 -0.758 1.00 0.00 N ATOM 0 H HIS A 59 -5.301 8.729 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.968 9.603 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.514 10.212 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.815 10.704 -0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.813 7.592 -2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.640 6.883 1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.398 6.036 -1.047 1.00 0.00 H new ATOM 876 N LEU A 60 -6.590 11.992 -1.359 1.00 0.00 N ATOM 877 CA LEU A 60 -7.225 13.232 -1.818 1.00 0.00 C ATOM 878 C LEU A 60 -6.742 14.430 -1.009 1.00 0.00 C ATOM 879 O LEU A 60 -6.712 14.364 0.217 1.00 0.00 O ATOM 880 CB LEU A 60 -8.761 13.158 -1.684 1.00 0.00 C ATOM 881 CG LEU A 60 -9.478 12.265 -2.708 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.505 10.793 -2.300 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.943 12.687 -2.832 1.00 0.00 C ATOM 0 H LEU A 60 -6.611 11.886 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.949 13.353 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.003 12.798 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.163 14.168 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.923 12.381 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.025 10.213 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.484 10.425 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.026 10.689 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.445 12.049 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.433 12.588 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.996 13.725 -3.161 1.00 0.00 H new ATOM 895 N CYS A 61 -6.411 15.523 -1.686 1.00 0.00 N ATOM 896 CA CYS A 61 -5.981 16.775 -1.071 1.00 0.00 C ATOM 897 C CYS A 61 -7.076 17.327 -0.142 1.00 0.00 C ATOM 898 O CYS A 61 -8.212 17.545 -0.561 1.00 0.00 O ATOM 899 CB CYS A 61 -5.629 17.717 -2.235 1.00 0.00 C ATOM 900 SG CYS A 61 -4.639 19.152 -1.715 1.00 0.00 S ATOM 0 H CYS A 61 -6.435 15.565 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.110 16.648 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.079 17.159 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.549 18.068 -2.702 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.816 20.129 -2.554 1.00 0.00 H new ATOM 905 N LYS A 62 -6.773 17.573 1.138 1.00 0.00 N ATOM 906 CA LYS A 62 -7.752 18.138 2.091 1.00 0.00 C ATOM 907 C LYS A 62 -8.204 19.558 1.673 1.00 0.00 C ATOM 908 O LYS A 62 -9.209 20.056 2.181 1.00 0.00 O ATOM 909 CB LYS A 62 -7.151 18.072 3.514 1.00 0.00 C ATOM 910 CG LYS A 62 -7.819 18.894 4.632 1.00 0.00 C ATOM 911 CD LYS A 62 -9.246 18.439 4.963 1.00 0.00 C ATOM 912 CE LYS A 62 -9.990 19.443 5.857 1.00 0.00 C ATOM 913 NZ LYS A 62 -9.399 19.548 7.218 1.00 0.00 N ATOM 0 H LYS A 62 -5.855 17.391 1.545 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.666 17.544 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.150 17.027 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.109 18.386 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.208 18.830 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.841 19.943 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.804 18.299 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.209 17.471 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.977 20.424 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.035 19.144 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.939 20.238 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.435 18.619 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.410 19.860 7.144 1.00 0.00 H new ATOM 927 N ASN A 63 -7.505 20.202 0.730 1.00 0.00 N ATOM 928 CA ASN A 63 -7.817 21.537 0.241 1.00 0.00 C ATOM 929 C ASN A 63 -8.682 21.487 -1.031 1.00 0.00 C ATOM 930 O ASN A 63 -9.859 21.861 -0.978 1.00 0.00 O ATOM 931 CB ASN A 63 -6.508 22.300 0.017 1.00 0.00 C ATOM 932 CG ASN A 63 -6.774 23.684 -0.544 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.474 24.493 0.050 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.231 24.011 -1.688 1.00 0.00 N ATOM 0 H ASN A 63 -6.687 19.792 0.279 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.411 22.066 0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.966 22.384 0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.871 21.742 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.392 24.938 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.647 23.339 -2.186 1.00 0.00 H new ATOM 941 N CYS A 64 -8.125 21.025 -2.156 1.00 0.00 N ATOM 942 CA CYS A 64 -8.809 20.968 -3.449 1.00 0.00 C ATOM 943 C CYS A 64 -9.544 19.639 -3.739 1.00 0.00 C ATOM 944 O CYS A 64 -10.269 19.541 -4.737 1.00 0.00 O ATOM 945 CB CYS A 64 -7.810 21.360 -4.560 1.00 0.00 C ATOM 946 SG CYS A 64 -6.296 20.333 -4.628 1.00 0.00 S ATOM 0 H CYS A 64 -7.168 20.674 -2.192 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.624 21.691 -3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.317 21.299 -5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.520 22.401 -4.418 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.278 21.034 -4.224 1.00 0.00 H new ATOM 951 N HIS A 65 -9.395 18.619 -2.880 1.00 0.00 N ATOM 952 CA HIS A 65 -9.978 17.264 -3.017 1.00 0.00 C ATOM 953 C HIS A 65 -9.678 16.561 -4.348 1.00 0.00 C ATOM 954 O HIS A 65 -10.331 15.586 -4.723 1.00 0.00 O ATOM 955 CB HIS A 65 -11.440 17.227 -2.551 1.00 0.00 C ATOM 956 CG HIS A 65 -11.570 17.562 -1.083 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.879 18.802 -0.553 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.329 16.707 -0.038 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.844 18.702 0.791 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.522 17.434 1.125 1.00 0.00 N ATOM 0 H HIS A 65 -8.840 18.715 -2.030 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.439 16.623 -2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.027 17.933 -3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.855 16.236 -2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.044 15.668 -0.108 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.041 19.504 1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.435 17.072 2.075 1.00 0.00 H new ATOM 969 N HIS A 66 -8.625 17.007 -5.020 1.00 0.00 N ATOM 970 CA HIS A 66 -8.040 16.360 -6.184 1.00 0.00 C ATOM 971 C HIS A 66 -7.387 15.048 -5.708 1.00 0.00 C ATOM 972 O HIS A 66 -6.866 14.988 -4.589 1.00 0.00 O ATOM 973 CB HIS A 66 -7.008 17.317 -6.769 1.00 0.00 C ATOM 974 CG HIS A 66 -5.688 16.709 -7.119 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.334 16.135 -8.318 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.551 16.900 -6.385 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.992 16.092 -8.351 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.481 16.591 -7.211 1.00 0.00 N ATOM 0 H HIS A 66 -8.137 17.863 -4.758 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.779 16.126 -6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.428 17.771 -7.666 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.839 18.122 -6.054 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.970 15.805 -9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.496 17.229 -5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.407 15.711 -9.175 1.00 0.00 H new ATOM 986 N VAL A 67 -7.383 14.003 -6.539 1.00 0.00 N ATOM 987 CA VAL A 67 -6.737 12.733 -6.190 1.00 0.00 C ATOM 988 C VAL A 67 -5.214 12.867 -6.313 1.00 0.00 C ATOM 989 O VAL A 67 -4.665 12.876 -7.417 1.00 0.00 O ATOM 990 CB VAL A 67 -7.281 11.568 -7.032 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.566 10.263 -6.680 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.781 11.357 -6.781 1.00 0.00 C ATOM 0 H VAL A 67 -7.821 14.010 -7.460 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.975 12.499 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.109 11.826 -8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.968 9.453 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.499 10.369 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.721 10.036 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.139 10.527 -7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.945 11.131 -5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.325 12.263 -7.047 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.545 12.954 -5.161 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.086 13.074 -5.025 1.00 0.00 C ATOM 1004 C ILE A 68 -2.372 11.852 -5.622 1.00 0.00 C ATOM 1005 O ILE A 68 -1.379 11.982 -6.344 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.734 13.257 -3.530 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.142 14.694 -3.142 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.248 12.985 -3.208 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.997 15.009 -1.658 1.00 0.00 C ATOM 0 H ILE A 68 -5.021 12.943 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.742 13.945 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.279 12.519 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.535 15.398 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.179 14.857 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.074 13.132 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.999 11.959 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.621 13.672 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.305 16.038 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.626 14.332 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.957 14.882 -1.359 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.874 10.652 -5.303 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.286 9.375 -5.701 1.00 0.00 C ATOM 1023 C ALA A 69 -3.272 8.198 -5.544 1.00 0.00 C ATOM 1024 O ALA A 69 -4.302 8.318 -4.874 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.054 9.170 -4.801 1.00 0.00 C ATOM 0 H ALA A 69 -3.722 10.544 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.020 9.399 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.571 8.226 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.351 9.989 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.366 9.149 -3.757 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.919 7.037 -6.114 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.644 5.761 -5.993 1.00 0.00 C ATOM 1033 C ARG A 70 -2.762 4.750 -5.263 1.00 0.00 C ATOM 1034 O ARG A 70 -1.564 4.686 -5.539 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.020 5.180 -7.364 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.370 5.659 -7.899 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.331 7.053 -8.529 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.701 7.480 -8.849 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.165 8.084 -9.923 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.414 8.388 -10.944 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.426 8.399 -9.973 1.00 0.00 N ATOM 0 H ARG A 70 -2.086 6.957 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.563 5.954 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.243 5.442 -8.083 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.035 4.092 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.729 4.946 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.093 5.660 -7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.868 7.762 -7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.722 7.039 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.397 7.278 -8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.420 8.158 -10.933 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.820 8.856 -11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.038 8.178 -9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.802 8.867 -10.797 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.385 3.955 -4.395 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.753 2.946 -3.539 1.00 0.00 C ATOM 1057 C HIS A 71 -3.337 1.553 -3.755 1.00 0.00 C ATOM 1058 O HIS A 71 -4.553 1.370 -3.847 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.010 3.330 -2.072 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.087 2.678 -1.061 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.099 3.379 -0.367 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.054 1.360 -0.664 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.493 2.484 0.425 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.059 1.271 0.288 1.00 0.00 N ATOM 0 H HIS A 71 -4.395 3.997 -4.261 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.692 2.919 -3.786 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.921 4.412 -1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.039 3.071 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.680 0.558 -1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.335 2.706 1.082 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.797 0.429 0.801 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.473 0.548 -3.767 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.841 -0.856 -3.854 1.00 0.00 C ATOM 1074 C GLU A 72 -1.939 -1.659 -2.911 1.00 0.00 C ATOM 1075 O GLU A 72 -0.717 -1.514 -2.914 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.723 -1.335 -5.313 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.789 -2.862 -5.431 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.957 -3.298 -6.900 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.113 -3.378 -7.384 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.938 -3.564 -7.581 1.00 0.00 O ATOM 0 H GLU A 72 -1.465 0.693 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.877 -1.003 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.524 -0.892 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.782 -0.981 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.880 -3.301 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.622 -3.240 -4.839 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.544 -2.539 -2.124 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.869 -3.486 -1.248 1.00 0.00 C ATOM 1089 C TYR A 73 -2.516 -4.845 -1.495 1.00 0.00 C ATOM 1090 O TYR A 73 -3.737 -4.978 -1.415 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.980 -3.061 0.222 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.767 -4.189 1.223 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.514 -4.823 1.367 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.857 -4.645 1.985 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.347 -5.880 2.281 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.694 -5.687 2.914 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.431 -6.292 3.086 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.258 -7.263 4.022 1.00 0.00 O ATOM 0 H TYR A 73 -3.560 -2.615 -2.077 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.801 -3.527 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.249 -2.277 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.966 -2.626 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.324 -4.494 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.828 -4.191 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.609 -6.375 2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.537 -6.025 3.498 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.485 -7.815 3.782 1.00 0.00 H new ATOM 1108 N THR A 74 -1.719 -5.857 -1.812 1.00 0.00 N ATOM 1109 CA THR A 74 -2.220 -7.214 -2.067 1.00 0.00 C ATOM 1110 C THR A 74 -1.421 -8.198 -1.207 1.00 0.00 C ATOM 1111 O THR A 74 -0.200 -8.097 -1.074 1.00 0.00 O ATOM 1112 CB THR A 74 -2.193 -7.598 -3.566 1.00 0.00 C ATOM 1113 OG1 THR A 74 -0.993 -8.209 -3.980 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.404 -6.418 -4.530 1.00 0.00 C ATOM 0 H THR A 74 -0.707 -5.767 -1.901 1.00 0.00 H new ATOM 0 HA THR A 74 -3.273 -7.254 -1.788 1.00 0.00 H new ATOM 0 HB THR A 74 -3.029 -8.295 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.254 -7.572 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.370 -6.778 -5.558 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.374 -5.960 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.617 -5.679 -4.378 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.111 -9.139 -0.576 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.514 -10.138 0.312 1.00 0.00 C ATOM 1124 C PHE A 75 -1.989 -11.551 -0.071 1.00 0.00 C ATOM 1125 O PHE A 75 -3.189 -11.772 -0.141 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.890 -9.800 1.758 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.671 -10.959 2.698 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.361 -11.277 3.075 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.739 -11.790 3.093 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.108 -12.411 3.849 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.481 -12.939 3.862 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.160 -13.249 4.235 1.00 0.00 C ATOM 0 H PHE A 75 -3.122 -9.234 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.429 -10.121 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.299 -8.948 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.937 -9.498 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.457 -10.643 2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.751 -11.545 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.903 -12.642 4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.294 -13.582 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.958 -14.134 4.820 1.00 0.00 H new ATOM 1142 N SER A 76 -1.090 -12.511 -0.287 1.00 0.00 N ATOM 1143 CA SER A 76 -1.360 -13.902 -0.718 1.00 0.00 C ATOM 1144 C SER A 76 -0.743 -14.959 0.195 1.00 0.00 C ATOM 1145 O SER A 76 0.383 -14.795 0.641 1.00 0.00 O ATOM 1146 CB SER A 76 -0.769 -14.149 -2.119 1.00 0.00 C ATOM 1147 OG SER A 76 -1.700 -13.846 -3.139 1.00 0.00 O ATOM 0 H SER A 76 -0.093 -12.339 -0.161 1.00 0.00 H new ATOM 0 HA SER A 76 -2.445 -13.999 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.125 -13.540 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.460 -15.191 -2.205 1.00 0.00 H new ATOM 0 HG SER A 76 -1.292 -14.012 -4.014 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.427 -16.082 0.427 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.818 -17.229 1.141 1.00 0.00 C ATOM 1155 C ILE A 77 -0.717 -18.400 0.160 1.00 0.00 C ATOM 1156 O ILE A 77 -1.736 -18.862 -0.360 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.660 -17.639 2.373 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.919 -16.403 3.253 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -0.976 -18.790 3.141 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.385 -16.692 4.682 1.00 0.00 C ATOM 0 H ILE A 77 -2.394 -16.230 0.138 1.00 0.00 H new ATOM 0 HA ILE A 77 0.170 -16.945 1.504 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.629 -18.020 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.002 -15.815 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.670 -15.782 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.584 -19.064 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.869 -19.653 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.009 -18.467 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.537 -15.752 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.322 -17.248 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.628 -17.282 5.199 1.00 0.00 H new ATOM 1172 N MET A 78 0.502 -18.901 -0.066 1.00 0.00 N ATOM 1173 CA MET A 78 0.767 -20.093 -0.883 1.00 0.00 C ATOM 1174 C MET A 78 1.458 -21.234 -0.129 1.00 0.00 C ATOM 1175 O MET A 78 2.575 -21.048 0.351 1.00 0.00 O ATOM 1176 CB MET A 78 1.296 -19.788 -2.290 1.00 0.00 C ATOM 1177 CG MET A 78 2.547 -18.933 -2.393 1.00 0.00 C ATOM 1178 SD MET A 78 2.394 -17.211 -1.858 1.00 0.00 S ATOM 1179 CE MET A 78 3.458 -17.336 -0.408 1.00 0.00 C ATOM 0 H MET A 78 1.348 -18.483 0.320 1.00 0.00 H new ATOM 0 HA MET A 78 -0.215 -20.517 -1.092 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.494 -20.737 -2.789 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.502 -19.293 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.332 -19.405 -1.803 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.880 -18.940 -3.431 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.230 -16.523 0.282 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.287 -18.292 0.088 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.502 -17.269 -0.716 1.00 0.00 H new ATOM 1189 N ASP A 79 0.823 -22.410 -0.084 1.00 0.00 N ATOM 1190 CA ASP A 79 1.282 -23.686 0.500 1.00 0.00 C ATOM 1191 C ASP A 79 1.741 -23.652 1.974 1.00 0.00 C ATOM 1192 O ASP A 79 1.058 -24.187 2.847 1.00 0.00 O ATOM 1193 CB ASP A 79 2.388 -24.278 -0.389 1.00 0.00 C ATOM 1194 CG ASP A 79 1.878 -24.661 -1.788 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.098 -25.637 -1.901 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.265 -24.001 -2.783 1.00 0.00 O ATOM 0 H ASP A 79 -0.108 -22.507 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 79 0.394 -24.317 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.197 -23.554 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.806 -25.160 0.096 1.00 0.00 H new ATOM 1201 N GLU A 80 2.882 -23.021 2.254 1.00 0.00 N ATOM 1202 CA GLU A 80 3.499 -22.893 3.584 1.00 0.00 C ATOM 1203 C GLU A 80 4.046 -21.482 3.847 1.00 0.00 C ATOM 1204 O GLU A 80 4.709 -21.272 4.861 1.00 0.00 O ATOM 1205 CB GLU A 80 4.685 -23.862 3.756 1.00 0.00 C ATOM 1206 CG GLU A 80 4.469 -25.326 3.353 1.00 0.00 C ATOM 1207 CD GLU A 80 3.401 -26.076 4.180 1.00 0.00 C ATOM 1208 OE1 GLU A 80 3.184 -25.755 5.374 1.00 0.00 O ATOM 1209 OE2 GLU A 80 2.817 -27.055 3.652 1.00 0.00 O ATOM 0 H GLU A 80 3.431 -22.562 1.528 1.00 0.00 H new ATOM 0 HA GLU A 80 2.699 -23.123 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.523 -23.474 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.986 -23.843 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.184 -25.360 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.417 -25.857 3.444 1.00 0.00 H new ATOM 1216 N PHE A 81 3.831 -20.510 2.956 1.00 0.00 N ATOM 1217 CA PHE A 81 4.403 -19.173 3.151 1.00 0.00 C ATOM 1218 C PHE A 81 3.316 -18.111 2.925 1.00 0.00 C ATOM 1219 O PHE A 81 2.214 -18.395 2.448 1.00 0.00 O ATOM 1220 CB PHE A 81 5.559 -18.921 2.157 1.00 0.00 C ATOM 1221 CG PHE A 81 6.359 -20.122 1.688 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.069 -20.954 2.572 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.317 -20.437 0.318 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.770 -22.070 2.081 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.009 -21.557 -0.175 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.744 -22.369 0.707 1.00 0.00 C ATOM 0 H PHE A 81 3.276 -20.619 2.107 1.00 0.00 H new ATOM 0 HA PHE A 81 4.788 -19.110 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.144 -18.430 1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.251 -18.216 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.076 -20.736 3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.750 -19.815 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.329 -22.698 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.976 -21.793 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.288 -23.222 0.329 1.00 0.00 H new ATOM 1236 N GLN A 82 3.662 -16.860 3.200 1.00 0.00 N ATOM 1237 CA GLN A 82 2.826 -15.681 2.996 1.00 0.00 C ATOM 1238 C GLN A 82 3.587 -14.683 2.132 1.00 0.00 C ATOM 1239 O GLN A 82 4.783 -14.509 2.314 1.00 0.00 O ATOM 1240 CB GLN A 82 2.470 -15.005 4.328 1.00 0.00 C ATOM 1241 CG GLN A 82 2.369 -15.904 5.555 1.00 0.00 C ATOM 1242 CD GLN A 82 1.921 -15.146 6.799 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.682 -14.424 7.427 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.686 -15.302 7.223 1.00 0.00 N ATOM 0 H GLN A 82 4.576 -16.627 3.590 1.00 0.00 H new ATOM 0 HA GLN A 82 1.902 -15.997 2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.219 -14.239 4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.516 -14.493 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.666 -16.712 5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.338 -16.365 5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.042 -15.902 6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.372 -14.823 8.067 1.00 0.00 H new ATOM 1253 N GLU A 83 2.885 -13.985 1.257 1.00 0.00 N ATOM 1254 CA GLU A 83 3.377 -12.974 0.320 1.00 0.00 C ATOM 1255 C GLU A 83 2.651 -11.660 0.548 1.00 0.00 C ATOM 1256 O GLU A 83 1.425 -11.603 0.578 1.00 0.00 O ATOM 1257 CB GLU A 83 3.168 -13.376 -1.160 1.00 0.00 C ATOM 1258 CG GLU A 83 4.336 -14.154 -1.775 1.00 0.00 C ATOM 1259 CD GLU A 83 4.161 -14.478 -3.277 1.00 0.00 C ATOM 1260 OE1 GLU A 83 3.197 -14.006 -3.929 1.00 0.00 O ATOM 1261 OE2 GLU A 83 5.030 -15.192 -3.837 1.00 0.00 O ATOM 0 H GLU A 83 1.877 -14.116 1.172 1.00 0.00 H new ATOM 0 HA GLU A 83 4.447 -12.878 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.264 -13.981 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.998 -12.474 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.251 -13.577 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.466 -15.087 -1.226 1.00 0.00 H new ATOM 1268 N TYR A 84 3.427 -10.597 0.655 1.00 0.00 N ATOM 1269 CA TYR A 84 2.957 -9.233 0.852 1.00 0.00 C ATOM 1270 C TYR A 84 3.461 -8.366 -0.286 1.00 0.00 C ATOM 1271 O TYR A 84 4.652 -8.397 -0.587 1.00 0.00 O ATOM 1272 CB TYR A 84 3.536 -8.688 2.157 1.00 0.00 C ATOM 1273 CG TYR A 84 2.994 -9.371 3.399 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.576 -10.565 3.877 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.857 -8.838 4.033 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.036 -11.219 5.003 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.338 -9.462 5.183 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.932 -10.647 5.679 1.00 0.00 C ATOM 1279 OH TYR A 84 1.410 -11.267 6.773 1.00 0.00 O ATOM 0 H TYR A 84 4.444 -10.660 0.605 1.00 0.00 H new ATOM 0 HA TYR A 84 1.868 -9.224 0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.620 -8.798 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.325 -7.620 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.439 -10.979 3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.383 -7.952 3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.462 -12.150 5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.484 -9.035 5.688 1.00 0.00 H new ATOM 0 HH TYR A 84 0.658 -10.743 7.118 1.00 0.00 H new ATOM 1289 N THR A 85 2.580 -7.590 -0.910 1.00 0.00 N ATOM 1290 CA THR A 85 2.964 -6.662 -1.975 1.00 0.00 C ATOM 1291 C THR A 85 2.187 -5.354 -1.817 1.00 0.00 C ATOM 1292 O THR A 85 1.019 -5.328 -1.438 1.00 0.00 O ATOM 1293 CB THR A 85 2.786 -7.232 -3.404 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.507 -6.965 -3.938 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.943 -8.754 -3.506 1.00 0.00 C ATOM 0 H THR A 85 1.583 -7.584 -0.695 1.00 0.00 H new ATOM 0 HA THR A 85 4.034 -6.485 -1.864 1.00 0.00 H new ATOM 0 HB THR A 85 3.581 -6.730 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.444 -7.343 -4.840 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.802 -9.066 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.941 -9.040 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.197 -9.240 -2.876 1.00 0.00 H new ATOM 1303 N MET A 86 2.838 -4.241 -2.109 1.00 0.00 N ATOM 1304 CA MET A 86 2.276 -2.894 -2.084 1.00 0.00 C ATOM 1305 C MET A 86 2.772 -2.120 -3.304 1.00 0.00 C ATOM 1306 O MET A 86 3.900 -2.307 -3.763 1.00 0.00 O ATOM 1307 CB MET A 86 2.653 -2.216 -0.765 1.00 0.00 C ATOM 1308 CG MET A 86 2.205 -0.757 -0.680 1.00 0.00 C ATOM 1309 SD MET A 86 2.693 0.086 0.849 1.00 0.00 S ATOM 1310 CE MET A 86 4.394 0.544 0.412 1.00 0.00 C ATOM 0 H MET A 86 3.820 -4.248 -2.384 1.00 0.00 H new ATOM 0 HA MET A 86 1.188 -2.925 -2.137 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.209 -2.773 0.060 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.734 -2.264 -0.637 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.618 -0.212 -1.529 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.120 -0.716 -0.773 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.899 0.948 1.289 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.929 -0.338 0.060 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.377 1.297 -0.376 1.00 0.00 H new ATOM 1320 N LEU A 87 1.903 -1.261 -3.822 1.00 0.00 N ATOM 1321 CA LEU A 87 2.124 -0.409 -4.988 1.00 0.00 C ATOM 1322 C LEU A 87 1.270 0.875 -4.880 1.00 0.00 C ATOM 1323 O LEU A 87 0.057 0.854 -5.092 1.00 0.00 O ATOM 1324 CB LEU A 87 1.738 -1.210 -6.245 1.00 0.00 C ATOM 1325 CG LEU A 87 2.116 -0.511 -7.550 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.547 -0.851 -7.942 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.193 -0.902 -8.701 1.00 0.00 C ATOM 0 H LEU A 87 0.975 -1.132 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 87 3.171 -0.110 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.225 -2.185 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.663 -1.390 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 87 2.016 0.559 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.799 -0.345 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.227 -0.524 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.641 -1.928 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.501 -0.380 -9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.251 -1.978 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.167 -0.627 -8.454 1.00 0.00 H new ATOM 1339 N CYS A 88 1.912 1.994 -4.568 1.00 0.00 N ATOM 1340 CA CYS A 88 1.322 3.322 -4.440 1.00 0.00 C ATOM 1341 C CYS A 88 2.290 4.380 -4.988 1.00 0.00 C ATOM 1342 O CYS A 88 3.494 4.335 -4.705 1.00 0.00 O ATOM 1343 CB CYS A 88 1.028 3.599 -2.963 1.00 0.00 C ATOM 1344 SG CYS A 88 0.422 5.307 -2.724 1.00 0.00 S ATOM 0 H CYS A 88 2.916 2.000 -4.387 1.00 0.00 H new ATOM 0 HA CYS A 88 0.395 3.366 -5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.284 2.891 -2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.932 3.444 -2.374 1.00 0.00 H new ATOM 0 HG CYS A 88 0.460 5.608 -1.460 1.00 0.00 H new ATOM 1349 N LEU A 89 1.766 5.342 -5.752 1.00 0.00 N ATOM 1350 CA LEU A 89 2.531 6.464 -6.301 1.00 0.00 C ATOM 1351 C LEU A 89 3.176 7.316 -5.195 1.00 0.00 C ATOM 1352 O LEU A 89 4.292 7.805 -5.382 1.00 0.00 O ATOM 1353 CB LEU A 89 1.597 7.293 -7.209 1.00 0.00 C ATOM 1354 CG LEU A 89 2.146 8.652 -7.678 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.382 8.523 -8.550 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.136 9.427 -8.523 1.00 0.00 C ATOM 0 H LEU A 89 0.780 5.363 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 89 3.362 6.083 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.356 6.697 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.663 7.465 -6.675 1.00 0.00 H new ATOM 0 HG LEU A 89 2.376 9.173 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.722 9.515 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.172 8.022 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.141 7.939 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.571 10.378 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.879 8.844 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.236 9.612 -7.936 1.00 0.00 H new ATOM 1368 N LEU A 90 2.509 7.457 -4.047 1.00 0.00 N ATOM 1369 CA LEU A 90 2.984 8.213 -2.894 1.00 0.00 C ATOM 1370 C LEU A 90 3.691 7.309 -1.891 1.00 0.00 C ATOM 1371 O LEU A 90 4.867 7.531 -1.595 1.00 0.00 O ATOM 1372 CB LEU A 90 1.777 8.889 -2.215 1.00 0.00 C ATOM 1373 CG LEU A 90 2.085 9.491 -0.828 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.186 10.545 -0.888 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.831 10.121 -0.228 1.00 0.00 C ATOM 0 H LEU A 90 1.594 7.033 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 90 3.700 8.960 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.404 9.679 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.976 8.157 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 90 2.430 8.669 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.367 10.939 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.101 10.094 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.878 11.356 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.067 10.540 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.471 10.913 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.058 9.360 -0.120 1.00 0.00 H new ATOM 1387 N CYS A 91 2.963 6.350 -1.333 1.00 0.00 N ATOM 1388 CA CYS A 91 3.426 5.496 -0.258 1.00 0.00 C ATOM 1389 C CYS A 91 4.571 4.566 -0.666 1.00 0.00 C ATOM 1390 O CYS A 91 5.516 4.395 0.110 1.00 0.00 O ATOM 1391 CB CYS A 91 2.228 4.744 0.332 1.00 0.00 C ATOM 1392 SG CYS A 91 0.985 5.913 0.962 1.00 0.00 S ATOM 0 H CYS A 91 2.009 6.143 -1.627 1.00 0.00 H new ATOM 0 HA CYS A 91 3.864 6.127 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.781 4.106 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.563 4.091 1.138 1.00 0.00 H new ATOM 0 HG CYS A 91 -0.021 5.253 1.455 1.00 0.00 H new ATOM 1397 N GLY A 92 4.525 4.009 -1.880 1.00 0.00 N ATOM 1398 CA GLY A 92 5.622 3.220 -2.433 1.00 0.00 C ATOM 1399 C GLY A 92 5.294 1.860 -3.035 1.00 0.00 C ATOM 1400 O GLY A 92 4.176 1.356 -2.938 1.00 0.00 O ATOM 0 H GLY A 92 3.724 4.095 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.107 3.818 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.355 3.066 -1.641 1.00 0.00 H new ATOM 1404 N LYS A 93 6.323 1.243 -3.626 1.00 0.00 N ATOM 1405 CA LYS A 93 6.289 -0.114 -4.180 1.00 0.00 C ATOM 1406 C LYS A 93 7.207 -1.033 -3.381 1.00 0.00 C ATOM 1407 O LYS A 93 8.418 -0.815 -3.322 1.00 0.00 O ATOM 1408 CB LYS A 93 6.636 -0.088 -5.668 1.00 0.00 C ATOM 1409 CG LYS A 93 6.831 -1.501 -6.254 1.00 0.00 C ATOM 1410 CD LYS A 93 7.212 -1.433 -7.740 1.00 0.00 C ATOM 1411 CE LYS A 93 7.336 -2.849 -8.318 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.708 -2.822 -9.757 1.00 0.00 N ATOM 0 H LYS A 93 7.233 1.690 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 93 5.280 -0.517 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.842 0.422 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.547 0.492 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.609 -2.024 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.913 -2.077 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.458 -0.872 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.155 -0.900 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.087 -3.407 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.390 -3.377 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.783 -3.796 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.979 -2.311 -10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.623 -2.340 -9.870 1.00 0.00 H new ATOM 1426 N ALA A 94 6.628 -2.055 -2.765 1.00 0.00 N ATOM 1427 CA ALA A 94 7.333 -3.017 -1.930 1.00 0.00 C ATOM 1428 C ALA A 94 6.797 -4.456 -2.044 1.00 0.00 C ATOM 1429 O ALA A 94 5.642 -4.668 -2.412 1.00 0.00 O ATOM 1430 CB ALA A 94 7.261 -2.504 -0.489 1.00 0.00 C ATOM 0 H ALA A 94 5.628 -2.242 -2.835 1.00 0.00 H new ATOM 0 HA ALA A 94 8.365 -3.089 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.780 -3.199 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.734 -1.524 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.218 -2.423 -0.183 1.00 0.00 H new ATOM 1436 N GLU A 95 7.628 -5.448 -1.709 1.00 0.00 N ATOM 1437 CA GLU A 95 7.251 -6.867 -1.668 1.00 0.00 C ATOM 1438 C GLU A 95 8.075 -7.628 -0.611 1.00 0.00 C ATOM 1439 O GLU A 95 9.284 -7.420 -0.493 1.00 0.00 O ATOM 1440 CB GLU A 95 7.430 -7.480 -3.067 1.00 0.00 C ATOM 1441 CG GLU A 95 7.139 -8.984 -3.152 1.00 0.00 C ATOM 1442 CD GLU A 95 7.281 -9.481 -4.605 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.299 -9.394 -5.382 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.378 -9.959 -4.982 1.00 0.00 O ATOM 0 H GLU A 95 8.602 -5.285 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 95 6.204 -6.952 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.775 -6.957 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.453 -7.303 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.826 -9.530 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.131 -9.186 -2.789 1.00 0.00 H new ATOM 1451 N ASP A 96 7.423 -8.510 0.152 1.00 0.00 N ATOM 1452 CA ASP A 96 8.010 -9.354 1.197 1.00 0.00 C ATOM 1453 C ASP A 96 7.388 -10.759 1.217 1.00 0.00 C ATOM 1454 O ASP A 96 6.216 -10.919 0.872 1.00 0.00 O ATOM 1455 CB ASP A 96 7.808 -8.711 2.580 1.00 0.00 C ATOM 1456 CG ASP A 96 8.878 -9.171 3.584 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.089 -9.062 3.271 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.512 -9.641 4.687 1.00 0.00 O ATOM 0 H ASP A 96 6.419 -8.663 0.052 1.00 0.00 H new ATOM 0 HA ASP A 96 9.073 -9.444 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.841 -7.626 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.819 -8.968 2.959 1.00 0.00 H new ATOM 1463 N THR A 97 8.134 -11.769 1.670 1.00 0.00 N ATOM 1464 CA THR A 97 7.614 -13.141 1.827 1.00 0.00 C ATOM 1465 C THR A 97 8.048 -13.746 3.167 1.00 0.00 C ATOM 1466 O THR A 97 9.213 -13.626 3.555 1.00 0.00 O ATOM 1467 CB THR A 97 8.022 -14.073 0.669 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.095 -13.399 -0.574 1.00 0.00 O ATOM 1469 CG2 THR A 97 7.021 -15.212 0.491 1.00 0.00 C ATOM 0 H THR A 97 9.112 -11.666 1.939 1.00 0.00 H new ATOM 0 HA THR A 97 6.527 -13.057 1.807 1.00 0.00 H new ATOM 0 HB THR A 97 9.006 -14.452 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.359 -14.032 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.339 -15.850 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.973 -15.800 1.407 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.036 -14.800 0.272 1.00 0.00 H new ATOM 1477 N ILE A 98 7.116 -14.392 3.881 1.00 0.00 N ATOM 1478 CA ILE A 98 7.323 -15.000 5.207 1.00 0.00 C ATOM 1479 C ILE A 98 6.989 -16.489 5.179 1.00 0.00 C ATOM 1480 O ILE A 98 5.882 -16.862 4.806 1.00 0.00 O ATOM 1481 CB ILE A 98 6.447 -14.322 6.291 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.399 -12.789 6.129 1.00 0.00 C ATOM 1483 CG2 ILE A 98 6.958 -14.719 7.683 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.673 -12.030 7.249 1.00 0.00 C ATOM 0 H ILE A 98 6.162 -14.511 3.541 1.00 0.00 H new ATOM 0 HA ILE A 98 8.375 -14.857 5.456 1.00 0.00 H new ATOM 0 HB ILE A 98 5.423 -14.674 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.421 -12.416 6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.913 -12.556 5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.342 -14.243 8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.902 -15.802 7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.992 -14.395 7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.697 -10.961 7.039 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.638 -12.366 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.169 -12.224 8.200 1.00 0.00 H new ATOM 1496 N SER A 99 7.893 -17.347 5.632 1.00 0.00 N ATOM 1497 CA SER A 99 7.625 -18.787 5.753 1.00 0.00 C ATOM 1498 C SER A 99 6.906 -19.070 7.077 1.00 0.00 C ATOM 1499 O SER A 99 7.284 -18.538 8.126 1.00 0.00 O ATOM 1500 CB SER A 99 8.915 -19.598 5.598 1.00 0.00 C ATOM 1501 OG SER A 99 9.937 -19.139 6.472 1.00 0.00 O ATOM 0 H SER A 99 8.830 -17.074 5.927 1.00 0.00 H new ATOM 0 HA SER A 99 6.965 -19.103 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.710 -20.649 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.263 -19.534 4.567 1.00 0.00 H new ATOM 0 HG SER A 99 10.743 -19.681 6.346 1.00 0.00 H new