USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 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 35 SER OG : rot 180:sc= -0.368 USER MOD Set 1.2: A 36 SER OG : rot -52:sc= 0.109 USER MOD Single : A 2 SER OG : rot 11:sc= 1.39 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ 169:sc= -0.0599 (180deg=-0.25) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.0532 (180deg=-0.254) USER MOD Single : A 21 ASN : amide:sc= -0.0655 K(o=-0.066,f=-0.76) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.45 USER MOD Single : A 33 ASN : amide:sc= -1.61 K(o=-1.6,f=-7.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -88:sc= -0.476 USER MOD Single : A 46 ASN : amide:sc= -2.58! X(o=-2.6!,f=-2.8) USER MOD Single : A 48 SER OG : rot -96:sc= -0.233 USER MOD Single : A 50 CYS SG : rot 171:sc= -3.28! USER MOD Single : A 51 SER OG : rot 94:sc= 0.0622 USER MOD Single : A 58 LYS NZ :NH3+ -122:sc= -1.1 (180deg=-2.72!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= -0.801 (180deg=-1.91!) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 68 ASN : amide:sc= -0.322 K(o=-0.32,f=-0.99) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -23.142 -8.222 -17.597 1.00 0.00 N ATOM 2 CA ILE A -2 -21.810 -7.997 -18.218 1.00 0.00 C ATOM 3 C ILE A -2 -21.572 -6.512 -18.484 1.00 0.00 C ATOM 4 O ILE A -2 -21.885 -5.999 -19.557 1.00 0.00 O ATOM 5 CB ILE A -2 -21.656 -8.800 -19.534 1.00 0.00 C ATOM 6 CG1 ILE A -2 -20.285 -8.541 -20.170 1.00 0.00 C ATOM 7 CG2 ILE A -2 -22.776 -8.472 -20.514 1.00 0.00 C ATOM 8 CD1 ILE A -2 -19.299 -9.668 -19.957 1.00 0.00 C ATOM 0 H1 ILE A -2 -23.358 -9.239 -17.597 1.00 0.00 H new ATOM 0 H2 ILE A -2 -23.133 -7.870 -16.618 1.00 0.00 H new ATOM 0 H3 ILE A -2 -23.869 -7.714 -18.141 1.00 0.00 H new ATOM 0 HA ILE A -2 -21.061 -8.351 -17.510 1.00 0.00 H new ATOM 0 HB ILE A -2 -21.726 -9.860 -19.289 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -20.414 -8.379 -21.240 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -19.869 -7.622 -19.757 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -22.641 -9.051 -21.428 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -23.737 -8.722 -20.065 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -22.752 -7.408 -20.751 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -18.351 -9.417 -20.433 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -19.140 -9.816 -18.889 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -19.694 -10.585 -20.395 1.00 0.00 H new ATOM 22 N SER A -1 -21.010 -5.827 -17.495 1.00 0.00 N ATOM 23 CA SER A -1 -20.729 -4.404 -17.616 1.00 0.00 C ATOM 24 C SER A -1 -19.661 -3.976 -16.614 1.00 0.00 C ATOM 25 O SER A -1 -19.841 -3.009 -15.873 1.00 0.00 O ATOM 26 CB SER A -1 -22.007 -3.591 -17.398 1.00 0.00 C ATOM 27 OG SER A -1 -22.598 -3.897 -16.146 1.00 0.00 O ATOM 0 H SER A -1 -20.740 -6.236 -16.600 1.00 0.00 H new ATOM 0 HA SER A -1 -20.355 -4.215 -18.622 1.00 0.00 H new ATOM 0 HB2 SER A -1 -21.777 -2.527 -17.445 1.00 0.00 H new ATOM 0 HB3 SER A -1 -22.716 -3.800 -18.199 1.00 0.00 H new ATOM 0 HG SER A -1 -23.412 -3.364 -16.029 1.00 0.00 H new ATOM 33 N SER A 2 -18.553 -4.709 -16.589 1.00 0.00 N ATOM 34 CA SER A 2 -17.460 -4.410 -15.671 1.00 0.00 C ATOM 35 C SER A 2 -17.977 -4.269 -14.241 1.00 0.00 C ATOM 36 O SER A 2 -18.096 -3.160 -13.719 1.00 0.00 O ATOM 37 CB SER A 2 -16.738 -3.130 -16.096 1.00 0.00 C ATOM 38 OG SER A 2 -17.560 -1.992 -15.903 1.00 0.00 O ATOM 0 H SER A 2 -18.388 -5.514 -17.193 1.00 0.00 H new ATOM 0 HA SER A 2 -16.754 -5.240 -15.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.818 -3.020 -15.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.452 -3.202 -17.145 1.00 0.00 H new ATOM 0 HG SER A 2 -18.346 -2.242 -15.373 1.00 0.00 H new ATOM 44 N PRO A 3 -18.301 -5.399 -13.590 1.00 0.00 N ATOM 45 CA PRO A 3 -18.807 -5.410 -12.227 1.00 0.00 C ATOM 46 C PRO A 3 -17.681 -5.435 -11.204 1.00 0.00 C ATOM 47 O PRO A 3 -16.652 -6.077 -11.417 1.00 0.00 O ATOM 48 CB PRO A 3 -19.629 -6.705 -12.156 1.00 0.00 C ATOM 49 CG PRO A 3 -19.281 -7.503 -13.381 1.00 0.00 C ATOM 50 CD PRO A 3 -18.203 -6.757 -14.126 1.00 0.00 C ATOM 0 HA PRO A 3 -19.387 -4.516 -11.997 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -19.394 -7.264 -11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -20.696 -6.485 -12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.934 -8.498 -13.103 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -20.159 -7.636 -14.012 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.218 -7.189 -13.948 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -18.370 -6.777 -15.203 1.00 0.00 H new ATOM 58 N LYS A 4 -17.874 -4.728 -10.096 1.00 0.00 N ATOM 59 CA LYS A 4 -16.863 -4.667 -9.045 1.00 0.00 C ATOM 60 C LYS A 4 -15.491 -4.346 -9.632 1.00 0.00 C ATOM 61 O LYS A 4 -14.635 -5.222 -9.754 1.00 0.00 O ATOM 62 CB LYS A 4 -16.806 -5.991 -8.280 1.00 0.00 C ATOM 63 CG LYS A 4 -17.948 -6.175 -7.294 1.00 0.00 C ATOM 64 CD LYS A 4 -17.629 -5.543 -5.948 1.00 0.00 C ATOM 65 CE LYS A 4 -17.853 -4.040 -5.971 1.00 0.00 C ATOM 66 NZ LYS A 4 -18.490 -3.553 -4.715 1.00 0.00 N ATOM 0 H LYS A 4 -18.719 -4.190 -9.902 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.141 -3.871 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.818 -6.814 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.860 -6.049 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.856 -5.730 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.147 -7.238 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.254 -5.993 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.593 -5.753 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.899 -3.533 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.483 -3.780 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.625 -2.523 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.412 -4.017 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.877 -3.778 -3.905 1.00 0.00 H new ATOM 80 N GLN A 5 -15.291 -3.084 -9.997 1.00 0.00 N ATOM 81 CA GLN A 5 -14.021 -2.651 -10.570 1.00 0.00 C ATOM 82 C GLN A 5 -13.033 -2.306 -9.463 1.00 0.00 C ATOM 83 O GLN A 5 -12.149 -3.100 -9.146 1.00 0.00 O ATOM 84 CB GLN A 5 -14.206 -1.446 -11.508 1.00 0.00 C ATOM 85 CG GLN A 5 -15.530 -0.710 -11.347 1.00 0.00 C ATOM 86 CD GLN A 5 -15.538 0.634 -12.049 1.00 0.00 C ATOM 87 OE1 GLN A 5 -15.841 1.662 -11.442 1.00 0.00 O ATOM 88 NE2 GLN A 5 -15.207 0.634 -13.335 1.00 0.00 N ATOM 0 H GLN A 5 -15.989 -2.345 -9.907 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.625 -3.477 -11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.392 -0.742 -11.337 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.120 -1.789 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.336 -1.328 -11.744 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.733 -0.563 -10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.963 -0.241 -13.799 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.197 1.509 -13.859 1.00 0.00 H new ATOM 97 N GLU A 6 -13.194 -1.118 -8.881 1.00 0.00 N ATOM 98 CA GLU A 6 -12.325 -0.650 -7.805 1.00 0.00 C ATOM 99 C GLU A 6 -10.855 -0.856 -8.147 1.00 0.00 C ATOM 100 O GLU A 6 -10.320 -1.956 -8.012 1.00 0.00 O ATOM 101 CB GLU A 6 -12.669 -1.344 -6.478 1.00 0.00 C ATOM 102 CG GLU A 6 -12.550 -2.862 -6.509 1.00 0.00 C ATOM 103 CD GLU A 6 -12.449 -3.469 -5.124 1.00 0.00 C ATOM 104 OE1 GLU A 6 -12.954 -2.849 -4.165 1.00 0.00 O ATOM 105 OE2 GLU A 6 -11.863 -4.565 -4.998 1.00 0.00 O ATOM 0 H GLU A 6 -13.926 -0.457 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.497 0.420 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.012 -0.957 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.688 -1.078 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.416 -3.280 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.670 -3.142 -7.089 1.00 0.00 H new ATOM 112 N GLU A 7 -10.203 0.216 -8.593 1.00 0.00 N ATOM 113 CA GLU A 7 -8.793 0.167 -8.949 1.00 0.00 C ATOM 114 C GLU A 7 -8.007 -0.614 -7.899 1.00 0.00 C ATOM 115 O GLU A 7 -8.511 -0.874 -6.807 1.00 0.00 O ATOM 116 CB GLU A 7 -8.190 1.577 -9.094 1.00 0.00 C ATOM 117 CG GLU A 7 -9.183 2.734 -9.184 1.00 0.00 C ATOM 118 CD GLU A 7 -9.363 3.237 -10.605 1.00 0.00 C ATOM 119 OE1 GLU A 7 -8.365 3.259 -11.356 1.00 0.00 O ATOM 120 OE2 GLU A 7 -10.499 3.611 -10.964 1.00 0.00 O ATOM 0 H GLU A 7 -10.635 1.132 -8.716 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.721 -0.336 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.532 1.757 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.566 1.592 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.147 2.412 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.839 3.553 -8.553 1.00 0.00 H new ATOM 127 N TYR A 8 -6.773 -0.982 -8.231 1.00 0.00 N ATOM 128 CA TYR A 8 -5.921 -1.737 -7.312 1.00 0.00 C ATOM 129 C TYR A 8 -6.048 -1.227 -5.877 1.00 0.00 C ATOM 130 O TYR A 8 -5.356 -0.293 -5.478 1.00 0.00 O ATOM 131 CB TYR A 8 -4.457 -1.671 -7.759 1.00 0.00 C ATOM 132 CG TYR A 8 -3.819 -3.032 -7.919 1.00 0.00 C ATOM 133 CD1 TYR A 8 -4.175 -3.866 -8.971 1.00 0.00 C ATOM 134 CD2 TYR A 8 -2.864 -3.484 -7.017 1.00 0.00 C ATOM 135 CE1 TYR A 8 -3.598 -5.113 -9.120 1.00 0.00 C ATOM 136 CE2 TYR A 8 -2.282 -4.729 -7.158 1.00 0.00 C ATOM 137 CZ TYR A 8 -2.652 -5.540 -8.212 1.00 0.00 C ATOM 138 OH TYR A 8 -2.076 -6.780 -8.356 1.00 0.00 O ATOM 0 H TYR A 8 -6.339 -0.771 -9.129 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.258 -2.773 -7.334 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.397 -1.136 -8.707 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.888 -1.094 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.915 -3.535 -9.684 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.572 -2.852 -6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.886 -5.750 -9.943 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.542 -5.066 -6.448 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.047 -7.019 -9.306 1.00 0.00 H new ATOM 148 N GLU A 9 -6.936 -1.855 -5.108 1.00 0.00 N ATOM 149 CA GLU A 9 -7.154 -1.474 -3.716 1.00 0.00 C ATOM 150 C GLU A 9 -6.388 -2.425 -2.782 1.00 0.00 C ATOM 151 O GLU A 9 -5.208 -2.688 -3.005 1.00 0.00 O ATOM 152 CB GLU A 9 -8.655 -1.454 -3.404 1.00 0.00 C ATOM 153 CG GLU A 9 -9.373 -2.750 -3.740 1.00 0.00 C ATOM 154 CD GLU A 9 -10.557 -3.011 -2.829 1.00 0.00 C ATOM 155 OE1 GLU A 9 -11.187 -2.032 -2.378 1.00 0.00 O ATOM 156 OE2 GLU A 9 -10.853 -4.196 -2.566 1.00 0.00 O ATOM 0 H GLU A 9 -7.516 -2.631 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.769 -0.468 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.793 -1.238 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.120 -0.639 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.715 -2.714 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.671 -3.580 -3.665 1.00 0.00 H new ATOM 163 N VAL A 10 -7.045 -2.940 -1.740 1.00 0.00 N ATOM 164 CA VAL A 10 -6.397 -3.854 -0.792 1.00 0.00 C ATOM 165 C VAL A 10 -5.063 -3.296 -0.285 1.00 0.00 C ATOM 166 O VAL A 10 -4.682 -2.170 -0.599 1.00 0.00 O ATOM 167 CB VAL A 10 -6.160 -5.260 -1.419 1.00 0.00 C ATOM 168 CG1 VAL A 10 -4.885 -5.312 -2.260 1.00 0.00 C ATOM 169 CG2 VAL A 10 -6.150 -6.344 -0.345 1.00 0.00 C ATOM 0 H VAL A 10 -8.023 -2.741 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.080 -3.953 0.052 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.995 -5.452 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.764 -6.312 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.955 -4.588 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.026 -5.073 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.983 -7.315 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.352 -6.141 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.108 -6.351 0.174 1.00 0.00 H new ATOM 179 N GLU A 11 -4.372 -4.123 0.492 1.00 0.00 N ATOM 180 CA GLU A 11 -3.065 -3.811 1.070 1.00 0.00 C ATOM 181 C GLU A 11 -2.227 -2.875 0.179 1.00 0.00 C ATOM 182 O GLU A 11 -2.418 -1.661 0.204 1.00 0.00 O ATOM 183 CB GLU A 11 -2.319 -5.134 1.306 1.00 0.00 C ATOM 184 CG GLU A 11 -2.627 -6.208 0.259 1.00 0.00 C ATOM 185 CD GLU A 11 -2.814 -7.584 0.867 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.227 -7.664 2.042 1.00 0.00 O ATOM 187 OE2 GLU A 11 -2.548 -8.583 0.165 1.00 0.00 O ATOM 0 H GLU A 11 -4.711 -5.051 0.745 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.220 -3.278 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.246 -4.940 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.578 -5.516 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.530 -5.930 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.815 -6.244 -0.468 1.00 0.00 H new ATOM 194 N ARG A 12 -1.306 -3.459 -0.594 1.00 0.00 N ATOM 195 CA ARG A 12 -0.423 -2.722 -1.504 1.00 0.00 C ATOM 196 C ARG A 12 0.306 -1.553 -0.818 1.00 0.00 C ATOM 197 O ARG A 12 -0.209 -0.933 0.112 1.00 0.00 O ATOM 198 CB ARG A 12 -1.190 -2.270 -2.752 1.00 0.00 C ATOM 199 CG ARG A 12 -2.536 -1.635 -2.453 1.00 0.00 C ATOM 200 CD ARG A 12 -3.084 -0.857 -3.639 1.00 0.00 C ATOM 201 NE ARG A 12 -4.231 -0.033 -3.268 1.00 0.00 N ATOM 202 CZ ARG A 12 -4.202 0.932 -2.348 1.00 0.00 C ATOM 203 NH1 ARG A 12 -3.065 1.259 -1.746 1.00 0.00 N ATOM 204 NH2 ARG A 12 -5.314 1.590 -2.047 1.00 0.00 N ATOM 0 H ARG A 12 -1.151 -4.467 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 12 0.361 -3.410 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.578 -1.557 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.342 -3.130 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.247 -2.412 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.438 -0.967 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.299 -0.222 -4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.376 -1.553 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.115 -0.208 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.202 0.771 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.054 1.999 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.188 1.357 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.295 2.329 -1.344 1.00 0.00 H new ATOM 218 N ILE A 13 1.535 -1.286 -1.284 1.00 0.00 N ATOM 219 CA ILE A 13 2.382 -0.228 -0.721 1.00 0.00 C ATOM 220 C ILE A 13 1.762 1.160 -0.841 1.00 0.00 C ATOM 221 O ILE A 13 1.537 1.664 -1.941 1.00 0.00 O ATOM 222 CB ILE A 13 3.788 -0.171 -1.375 1.00 0.00 C ATOM 223 CG1 ILE A 13 4.342 -1.565 -1.693 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.750 0.578 -0.462 1.00 0.00 C ATOM 225 CD1 ILE A 13 4.756 -2.357 -0.477 1.00 0.00 C ATOM 0 H ILE A 13 1.966 -1.794 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 13 2.474 -0.497 0.331 1.00 0.00 H new ATOM 0 HB ILE A 13 3.687 0.358 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.586 -2.128 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.202 -1.460 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.736 0.616 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.385 1.593 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.818 0.062 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.136 -3.330 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.536 -1.818 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.895 -2.496 0.177 1.00 0.00 H new ATOM 237 N VAL A 14 1.508 1.777 0.308 1.00 0.00 N ATOM 238 CA VAL A 14 0.933 3.113 0.354 1.00 0.00 C ATOM 239 C VAL A 14 1.990 4.168 0.717 1.00 0.00 C ATOM 240 O VAL A 14 1.888 5.312 0.274 1.00 0.00 O ATOM 241 CB VAL A 14 -0.275 3.176 1.324 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.005 2.350 2.561 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.634 4.607 1.713 1.00 0.00 C ATOM 0 H VAL A 14 1.693 1.369 1.224 1.00 0.00 H new ATOM 0 HA VAL A 14 0.567 3.343 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.131 2.760 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.863 2.406 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.165 1.312 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.878 2.736 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.486 4.596 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.218 5.075 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.891 5.174 0.818 1.00 0.00 H new ATOM 253 N ASP A 15 3.027 3.803 1.492 1.00 0.00 N ATOM 254 CA ASP A 15 4.073 4.805 1.824 1.00 0.00 C ATOM 255 C ASP A 15 5.287 4.187 2.440 1.00 0.00 C ATOM 256 O ASP A 15 5.221 3.566 3.467 1.00 0.00 O ATOM 257 CB ASP A 15 3.555 5.851 2.774 1.00 0.00 C ATOM 258 CG ASP A 15 4.512 7.017 2.942 1.00 0.00 C ATOM 259 OD1 ASP A 15 5.474 7.116 2.151 1.00 0.00 O ATOM 260 OD2 ASP A 15 4.299 7.831 3.864 1.00 0.00 O ATOM 0 H ASP A 15 3.168 2.873 1.886 1.00 0.00 H new ATOM 0 HA ASP A 15 4.347 5.261 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.597 6.223 2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.372 5.394 3.746 1.00 0.00 H new ATOM 265 N GLU A 16 6.404 4.397 1.821 1.00 0.00 N ATOM 266 CA GLU A 16 7.638 3.806 2.321 1.00 0.00 C ATOM 267 C GLU A 16 8.703 4.781 2.788 1.00 0.00 C ATOM 268 O GLU A 16 8.707 5.967 2.460 1.00 0.00 O ATOM 269 CB GLU A 16 8.235 2.867 1.268 1.00 0.00 C ATOM 270 CG GLU A 16 7.637 3.018 -0.124 1.00 0.00 C ATOM 271 CD GLU A 16 8.564 3.775 -1.058 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.589 5.023 -0.989 1.00 0.00 O ATOM 273 OE2 GLU A 16 9.264 3.120 -1.859 1.00 0.00 O ATOM 0 H GLU A 16 6.505 4.963 0.978 1.00 0.00 H new ATOM 0 HA GLU A 16 7.335 3.266 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.309 3.043 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.099 1.837 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.429 2.032 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.684 3.542 -0.055 1.00 0.00 H new ATOM 280 N LYS A 17 9.641 4.197 3.532 1.00 0.00 N ATOM 281 CA LYS A 17 10.795 4.891 4.066 1.00 0.00 C ATOM 282 C LYS A 17 12.072 4.191 3.630 1.00 0.00 C ATOM 283 O LYS A 17 12.257 2.988 3.884 1.00 0.00 O ATOM 284 CB LYS A 17 10.779 4.956 5.588 1.00 0.00 C ATOM 285 CG LYS A 17 10.463 6.341 6.110 1.00 0.00 C ATOM 286 CD LYS A 17 9.034 6.503 6.598 1.00 0.00 C ATOM 287 CE LYS A 17 8.022 5.670 5.826 1.00 0.00 C ATOM 288 NZ LYS A 17 7.240 6.501 4.871 1.00 0.00 N ATOM 0 H LYS A 17 9.613 3.208 3.781 1.00 0.00 H new ATOM 0 HA LYS A 17 10.758 5.908 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.041 4.251 5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.749 4.640 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.145 6.575 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.652 7.068 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.987 6.229 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.754 7.554 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.540 4.880 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.343 5.183 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.442 5.946 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.878 7.344 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.853 6.794 4.083 1.00 0.00 H new ATOM 302 N LEU A 18 12.954 4.959 3.011 1.00 0.00 N ATOM 303 CA LEU A 18 14.235 4.448 2.566 1.00 0.00 C ATOM 304 C LEU A 18 15.333 4.983 3.466 1.00 0.00 C ATOM 305 O LEU A 18 15.099 5.875 4.280 1.00 0.00 O ATOM 306 CB LEU A 18 14.519 4.831 1.110 1.00 0.00 C ATOM 307 CG LEU A 18 13.319 4.766 0.162 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.758 5.043 -1.269 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.632 3.410 0.258 1.00 0.00 C ATOM 0 H LEU A 18 12.802 5.946 2.805 1.00 0.00 H new ATOM 0 HA LEU A 18 14.206 3.360 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.919 5.845 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.299 4.173 0.726 1.00 0.00 H new ATOM 0 HG LEU A 18 12.603 5.533 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.893 4.993 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.203 6.036 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.493 4.298 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.782 3.384 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.338 2.625 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.284 3.250 1.279 1.00 0.00 H new ATOM 321 N ASP A 19 16.528 4.441 3.320 1.00 0.00 N ATOM 322 CA ASP A 19 17.655 4.872 4.129 1.00 0.00 C ATOM 323 C ASP A 19 18.614 5.735 3.304 1.00 0.00 C ATOM 324 O ASP A 19 18.281 6.155 2.197 1.00 0.00 O ATOM 325 CB ASP A 19 18.357 3.645 4.718 1.00 0.00 C ATOM 326 CG ASP A 19 18.993 2.764 3.660 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.122 3.219 2.503 1.00 0.00 O ATOM 328 OD2 ASP A 19 19.362 1.617 3.989 1.00 0.00 O ATOM 0 H ASP A 19 16.744 3.703 2.650 1.00 0.00 H new ATOM 0 HA ASP A 19 17.297 5.491 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.124 3.973 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.636 3.058 5.287 1.00 0.00 H new ATOM 333 N ARG A 20 19.799 5.996 3.844 1.00 0.00 N ATOM 334 CA ARG A 20 20.792 6.816 3.147 1.00 0.00 C ATOM 335 C ARG A 20 21.495 6.033 2.037 1.00 0.00 C ATOM 336 O ARG A 20 22.313 6.585 1.300 1.00 0.00 O ATOM 337 CB ARG A 20 21.822 7.374 4.132 1.00 0.00 C ATOM 338 CG ARG A 20 22.613 6.312 4.873 1.00 0.00 C ATOM 339 CD ARG A 20 23.505 6.932 5.936 1.00 0.00 C ATOM 340 NE ARG A 20 24.062 5.930 6.841 1.00 0.00 N ATOM 341 CZ ARG A 20 23.401 5.416 7.874 1.00 0.00 C ATOM 342 NH1 ARG A 20 22.158 5.800 8.137 1.00 0.00 N ATOM 343 NH2 ARG A 20 23.986 4.512 8.649 1.00 0.00 N ATOM 0 H ARG A 20 20.098 5.655 4.758 1.00 0.00 H new ATOM 0 HA ARG A 20 20.258 7.646 2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.516 8.016 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.309 8.003 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.928 5.603 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.223 5.749 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.318 7.476 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.931 7.659 6.510 1.00 0.00 H new ATOM 0 HE ARG A 20 25.014 5.605 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 20 21.703 6.494 7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.658 5.401 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.941 4.213 8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.481 4.116 9.442 1.00 0.00 H new ATOM 357 N ASN A 21 21.176 4.747 1.921 1.00 0.00 N ATOM 358 CA ASN A 21 21.772 3.891 0.911 1.00 0.00 C ATOM 359 C ASN A 21 20.751 3.545 -0.167 1.00 0.00 C ATOM 360 O ASN A 21 20.964 2.630 -0.963 1.00 0.00 O ATOM 361 CB ASN A 21 22.262 2.605 1.566 1.00 0.00 C ATOM 362 CG ASN A 21 23.701 2.682 2.016 1.00 0.00 C ATOM 363 OD1 ASN A 21 24.551 3.259 1.340 1.00 0.00 O ATOM 364 ND2 ASN A 21 23.977 2.094 3.173 1.00 0.00 N ATOM 0 H ASN A 21 20.501 4.275 2.523 1.00 0.00 H new ATOM 0 HA ASN A 21 22.606 4.420 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.630 2.378 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.151 1.780 0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.929 2.108 3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.237 1.628 3.697 1.00 0.00 H new ATOM 371 N GLY A 22 19.632 4.258 -0.165 1.00 0.00 N ATOM 372 CA GLY A 22 18.586 3.976 -1.121 1.00 0.00 C ATOM 373 C GLY A 22 18.033 2.587 -0.893 1.00 0.00 C ATOM 374 O GLY A 22 17.486 1.954 -1.798 1.00 0.00 O ATOM 0 H GLY A 22 19.433 5.023 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.789 4.713 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.978 4.058 -2.135 1.00 0.00 H new ATOM 378 N ALA A 23 18.195 2.126 0.341 1.00 0.00 N ATOM 379 CA ALA A 23 17.745 0.822 0.764 1.00 0.00 C ATOM 380 C ALA A 23 16.408 0.944 1.472 1.00 0.00 C ATOM 381 O ALA A 23 16.232 1.792 2.346 1.00 0.00 O ATOM 382 CB ALA A 23 18.791 0.204 1.676 1.00 0.00 C ATOM 0 H ALA A 23 18.650 2.661 1.080 1.00 0.00 H new ATOM 0 HA ALA A 23 17.611 0.175 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.456 -0.782 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.733 0.108 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.936 0.841 2.548 1.00 0.00 H new ATOM 388 N VAL A 24 15.463 0.114 1.079 1.00 0.00 N ATOM 389 CA VAL A 24 14.130 0.149 1.657 1.00 0.00 C ATOM 390 C VAL A 24 14.110 -0.414 3.073 1.00 0.00 C ATOM 391 O VAL A 24 14.339 -1.606 3.282 1.00 0.00 O ATOM 392 CB VAL A 24 13.151 -0.632 0.778 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.724 -0.406 1.243 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.330 -0.227 -0.680 1.00 0.00 C ATOM 0 H VAL A 24 15.592 -0.597 0.359 1.00 0.00 H new ATOM 0 HA VAL A 24 13.825 1.194 1.707 1.00 0.00 H new ATOM 0 HB VAL A 24 13.362 -1.698 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.041 -0.969 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.620 -0.743 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.485 0.656 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.631 -0.786 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.138 0.840 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.350 -0.445 -0.996 1.00 0.00 H new ATOM 404 N LYS A 25 13.843 0.452 4.045 1.00 0.00 N ATOM 405 CA LYS A 25 13.806 0.037 5.439 1.00 0.00 C ATOM 406 C LYS A 25 12.388 -0.312 5.893 1.00 0.00 C ATOM 407 O LYS A 25 12.207 -1.223 6.702 1.00 0.00 O ATOM 408 CB LYS A 25 14.397 1.126 6.342 1.00 0.00 C ATOM 409 CG LYS A 25 15.908 1.264 6.218 1.00 0.00 C ATOM 410 CD LYS A 25 16.626 -0.015 6.620 1.00 0.00 C ATOM 411 CE LYS A 25 18.136 0.137 6.518 1.00 0.00 C ATOM 412 NZ LYS A 25 18.842 -0.552 7.635 1.00 0.00 N ATOM 0 H LYS A 25 13.650 1.442 3.892 1.00 0.00 H new ATOM 0 HA LYS A 25 14.413 -0.865 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.932 2.081 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.144 0.904 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.167 1.519 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.251 2.086 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.354 -0.280 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.298 -0.834 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.478 -0.270 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.395 1.196 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.869 -0.424 7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.535 -0.147 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.616 -1.567 7.615 1.00 0.00 H new ATOM 426 N LEU A 26 11.381 0.412 5.400 1.00 0.00 N ATOM 427 CA LEU A 26 10.000 0.137 5.820 1.00 0.00 C ATOM 428 C LEU A 26 8.972 0.503 4.765 1.00 0.00 C ATOM 429 O LEU A 26 9.212 1.374 3.935 1.00 0.00 O ATOM 430 CB LEU A 26 9.692 0.923 7.087 1.00 0.00 C ATOM 431 CG LEU A 26 9.643 0.100 8.365 1.00 0.00 C ATOM 432 CD1 LEU A 26 9.755 1.009 9.582 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.362 -0.725 8.418 1.00 0.00 C ATOM 0 H LEU A 26 11.486 1.173 4.729 1.00 0.00 H new ATOM 0 HA LEU A 26 9.931 -0.938 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.446 1.702 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.733 1.424 6.960 1.00 0.00 H new ATOM 0 HG LEU A 26 10.489 -0.587 8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.719 0.407 10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.699 1.553 9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.928 1.719 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.343 -1.308 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.499 -0.059 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.327 -1.398 7.561 1.00 0.00 H new ATOM 445 N TYR A 27 7.807 -0.155 4.805 1.00 0.00 N ATOM 446 CA TYR A 27 6.722 0.109 3.860 1.00 0.00 C ATOM 447 C TYR A 27 5.401 0.262 4.622 1.00 0.00 C ATOM 448 O TYR A 27 5.193 -0.360 5.664 1.00 0.00 O ATOM 449 CB TYR A 27 6.523 -1.058 2.875 1.00 0.00 C ATOM 450 CG TYR A 27 7.564 -1.207 1.787 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.791 -0.207 0.865 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.294 -2.374 1.674 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.725 -0.359 -0.140 1.00 0.00 C ATOM 454 CE2 TYR A 27 9.229 -2.542 0.677 1.00 0.00 C ATOM 455 CZ TYR A 27 9.443 -1.530 -0.229 1.00 0.00 C ATOM 456 OH TYR A 27 10.374 -1.688 -1.231 1.00 0.00 O ATOM 0 H TYR A 27 7.593 -0.880 5.490 1.00 0.00 H new ATOM 0 HA TYR A 27 6.991 1.014 3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.492 -1.986 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.548 -0.942 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.228 0.712 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.128 -3.172 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.891 0.436 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.790 -3.462 0.607 1.00 0.00 H new ATOM 0 HH TYR A 27 10.793 -2.570 -1.152 1.00 0.00 H new ATOM 466 N ARG A 28 4.515 1.067 4.069 1.00 0.00 N ATOM 467 CA ARG A 28 3.193 1.314 4.623 1.00 0.00 C ATOM 468 C ARG A 28 2.210 0.669 3.698 1.00 0.00 C ATOM 469 O ARG A 28 2.286 0.902 2.479 1.00 0.00 O ATOM 470 CB ARG A 28 2.855 2.813 4.741 1.00 0.00 C ATOM 471 CG ARG A 28 1.532 3.066 5.437 1.00 0.00 C ATOM 472 CD ARG A 28 1.289 4.546 5.640 1.00 0.00 C ATOM 473 NE ARG A 28 1.180 5.280 4.384 1.00 0.00 N ATOM 474 CZ ARG A 28 1.055 6.607 4.312 1.00 0.00 C ATOM 475 NH1 ARG A 28 1.131 7.346 5.412 1.00 0.00 N ATOM 476 NH2 ARG A 28 0.872 7.197 3.139 1.00 0.00 N ATOM 0 H ARG A 28 4.695 1.579 3.205 1.00 0.00 H new ATOM 0 HA ARG A 28 3.157 0.907 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.651 3.318 5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.826 3.253 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.721 2.640 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.524 2.559 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.374 4.683 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.103 4.965 6.231 1.00 0.00 H new ATOM 0 HE ARG A 28 1.200 4.750 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.285 6.900 6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.035 8.360 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.826 6.637 2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.777 8.211 3.088 1.00 0.00 H new ATOM 490 N ILE A 29 1.308 -0.121 4.283 1.00 0.00 N ATOM 491 CA ILE A 29 0.288 -0.837 3.523 1.00 0.00 C ATOM 492 C ILE A 29 -1.120 -0.516 4.009 1.00 0.00 C ATOM 493 O ILE A 29 -1.500 -0.881 5.120 1.00 0.00 O ATOM 494 CB ILE A 29 0.491 -2.361 3.609 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.975 -2.718 3.440 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.363 -3.053 2.560 1.00 0.00 C ATOM 497 CD1 ILE A 29 2.220 -4.119 2.919 1.00 0.00 C ATOM 0 H ILE A 29 1.266 -0.280 5.290 1.00 0.00 H new ATOM 0 HA ILE A 29 0.396 -0.504 2.491 1.00 0.00 H new ATOM 0 HB ILE A 29 0.178 -2.708 4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.434 -2.003 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.476 -2.607 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.216 -4.131 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.413 -2.819 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.073 -2.706 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.293 -4.291 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.793 -4.845 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.751 -4.231 1.942 1.00 0.00 H new ATOM 509 N ARG A 30 -1.899 0.137 3.156 1.00 0.00 N ATOM 510 CA ARG A 30 -3.274 0.479 3.484 1.00 0.00 C ATOM 511 C ARG A 30 -4.212 -0.634 3.020 1.00 0.00 C ATOM 512 O ARG A 30 -4.012 -1.214 1.954 1.00 0.00 O ATOM 513 CB ARG A 30 -3.655 1.806 2.822 1.00 0.00 C ATOM 514 CG ARG A 30 -5.021 2.328 3.240 1.00 0.00 C ATOM 515 CD ARG A 30 -4.963 3.796 3.637 1.00 0.00 C ATOM 516 NE ARG A 30 -4.707 4.667 2.490 1.00 0.00 N ATOM 517 CZ ARG A 30 -5.278 5.859 2.314 1.00 0.00 C ATOM 518 NH1 ARG A 30 -6.139 6.335 3.205 1.00 0.00 N ATOM 519 NH2 ARG A 30 -4.981 6.581 1.241 1.00 0.00 N ATOM 0 H ARG A 30 -1.599 0.440 2.229 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.367 0.588 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.900 2.553 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.640 1.679 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.727 2.200 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.396 1.739 4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.905 4.082 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.180 3.939 4.382 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.050 4.342 1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.370 5.788 4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.570 7.248 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.318 6.224 0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.416 7.493 1.104 1.00 0.00 H new ATOM 533 N TRP A 31 -5.230 -0.938 3.820 1.00 0.00 N ATOM 534 CA TRP A 31 -6.186 -1.982 3.464 1.00 0.00 C ATOM 535 C TRP A 31 -7.557 -1.700 4.069 1.00 0.00 C ATOM 536 O TRP A 31 -7.846 -2.104 5.194 1.00 0.00 O ATOM 537 CB TRP A 31 -5.737 -3.404 3.873 1.00 0.00 C ATOM 538 CG TRP A 31 -4.424 -3.523 4.598 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.727 -2.548 5.239 1.00 0.00 C ATOM 540 CD2 TRP A 31 -3.657 -4.724 4.749 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.573 -3.065 5.778 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.509 -4.400 5.488 1.00 0.00 C ATOM 543 CE3 TRP A 31 -3.837 -6.041 4.328 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.542 -5.347 5.812 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -2.881 -6.980 4.650 1.00 0.00 C ATOM 546 CH2 TRP A 31 -1.744 -6.629 5.385 1.00 0.00 C ATOM 0 H TRP A 31 -5.414 -0.480 4.713 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.242 -1.959 2.376 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.513 -3.836 4.505 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.683 -4.015 2.972 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.035 -1.516 5.314 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.878 -2.539 6.308 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.711 -6.321 3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.664 -5.078 6.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.012 -8.003 4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.011 -7.387 5.620 1.00 0.00 H new ATOM 557 N LEU A 32 -8.399 -1.019 3.303 1.00 0.00 N ATOM 558 CA LEU A 32 -9.748 -0.697 3.747 1.00 0.00 C ATOM 559 C LEU A 32 -10.631 -1.941 3.760 1.00 0.00 C ATOM 560 O LEU A 32 -11.543 -2.062 4.578 1.00 0.00 O ATOM 561 CB LEU A 32 -10.361 0.395 2.853 1.00 0.00 C ATOM 562 CG LEU A 32 -10.979 -0.060 1.516 1.00 0.00 C ATOM 563 CD1 LEU A 32 -10.027 -0.925 0.708 1.00 0.00 C ATOM 564 CD2 LEU A 32 -12.303 -0.778 1.742 1.00 0.00 C ATOM 0 H LEU A 32 -8.171 -0.678 2.369 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.689 -0.317 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.134 0.908 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.585 1.129 2.635 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.170 0.840 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.507 -1.221 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.121 -0.360 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.769 -1.815 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.717 -1.088 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.139 -1.656 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.002 -0.105 2.238 1.00 0.00 H new ATOM 576 N ASN A 33 -10.360 -2.849 2.830 1.00 0.00 N ATOM 577 CA ASN A 33 -11.125 -4.094 2.701 1.00 0.00 C ATOM 578 C ASN A 33 -11.478 -4.702 4.060 1.00 0.00 C ATOM 579 O ASN A 33 -12.613 -5.123 4.281 1.00 0.00 O ATOM 580 CB ASN A 33 -10.333 -5.119 1.886 1.00 0.00 C ATOM 581 CG ASN A 33 -10.524 -4.973 0.403 1.00 0.00 C ATOM 582 OD1 ASN A 33 -10.277 -3.914 -0.175 1.00 0.00 O ATOM 583 ND2 ASN A 33 -10.956 -6.050 -0.224 1.00 0.00 N ATOM 0 H ASN A 33 -9.610 -2.749 2.146 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.055 -3.843 2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.273 -5.019 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.633 -6.123 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.100 -6.029 -1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.146 -6.904 0.301 1.00 0.00 H new ATOM 590 N TYR A 34 -10.506 -4.744 4.966 1.00 0.00 N ATOM 591 CA TYR A 34 -10.730 -5.314 6.293 1.00 0.00 C ATOM 592 C TYR A 34 -11.752 -4.499 7.075 1.00 0.00 C ATOM 593 O TYR A 34 -12.670 -5.051 7.683 1.00 0.00 O ATOM 594 CB TYR A 34 -9.420 -5.381 7.083 1.00 0.00 C ATOM 595 CG TYR A 34 -8.573 -6.590 6.749 1.00 0.00 C ATOM 596 CD1 TYR A 34 -9.143 -7.852 6.621 1.00 0.00 C ATOM 597 CD2 TYR A 34 -7.204 -6.468 6.551 1.00 0.00 C ATOM 598 CE1 TYR A 34 -8.373 -8.954 6.307 1.00 0.00 C ATOM 599 CE2 TYR A 34 -6.427 -7.567 6.235 1.00 0.00 C ATOM 600 CZ TYR A 34 -7.017 -8.807 6.115 1.00 0.00 C ATOM 601 OH TYR A 34 -6.246 -9.902 5.801 1.00 0.00 O ATOM 0 H TYR A 34 -9.561 -4.393 4.809 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.117 -6.323 6.154 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.842 -4.478 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.648 -5.391 8.149 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.206 -7.972 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.738 -5.498 6.645 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.832 -9.927 6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.364 -7.455 6.083 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.312 -9.625 5.698 1.00 0.00 H new ATOM 611 N SER A 35 -11.576 -3.184 7.068 1.00 0.00 N ATOM 612 CA SER A 35 -12.473 -2.291 7.785 1.00 0.00 C ATOM 613 C SER A 35 -12.633 -0.970 7.034 1.00 0.00 C ATOM 614 O SER A 35 -13.621 -0.762 6.331 1.00 0.00 O ATOM 615 CB SER A 35 -11.938 -2.052 9.202 1.00 0.00 C ATOM 616 OG SER A 35 -12.101 -0.701 9.604 1.00 0.00 O ATOM 0 H SER A 35 -10.819 -2.713 6.573 1.00 0.00 H new ATOM 0 HA SER A 35 -13.457 -2.756 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.458 -2.705 9.902 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.882 -2.319 9.242 1.00 0.00 H new ATOM 0 HG SER A 35 -11.751 -0.585 10.512 1.00 0.00 H new ATOM 622 N SER A 36 -11.652 -0.086 7.179 1.00 0.00 N ATOM 623 CA SER A 36 -11.691 1.209 6.510 1.00 0.00 C ATOM 624 C SER A 36 -10.340 1.911 6.594 1.00 0.00 C ATOM 625 O SER A 36 -9.679 2.139 5.582 1.00 0.00 O ATOM 626 CB SER A 36 -12.774 2.093 7.133 1.00 0.00 C ATOM 627 OG SER A 36 -12.656 2.125 8.546 1.00 0.00 O ATOM 0 H SER A 36 -10.823 -0.242 7.752 1.00 0.00 H new ATOM 0 HA SER A 36 -11.925 1.038 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.695 3.105 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.759 1.717 6.856 1.00 0.00 H new ATOM 0 HG SER A 36 -12.624 1.209 8.892 1.00 0.00 H new ATOM 633 N ARG A 37 -9.935 2.250 7.811 1.00 0.00 N ATOM 634 CA ARG A 37 -8.664 2.923 8.034 1.00 0.00 C ATOM 635 C ARG A 37 -7.652 1.973 8.666 1.00 0.00 C ATOM 636 O ARG A 37 -6.713 2.402 9.337 1.00 0.00 O ATOM 637 CB ARG A 37 -8.845 4.159 8.927 1.00 0.00 C ATOM 638 CG ARG A 37 -10.138 4.171 9.732 1.00 0.00 C ATOM 639 CD ARG A 37 -9.957 4.875 11.067 1.00 0.00 C ATOM 640 NE ARG A 37 -9.529 3.948 12.114 1.00 0.00 N ATOM 641 CZ ARG A 37 -9.889 4.044 13.392 1.00 0.00 C ATOM 642 NH1 ARG A 37 -10.667 5.038 13.803 1.00 0.00 N ATOM 643 NH2 ARG A 37 -9.462 3.144 14.267 1.00 0.00 N ATOM 0 H ARG A 37 -10.470 2.069 8.660 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.287 3.246 7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.002 4.221 9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.812 5.051 8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.920 4.670 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.472 3.147 9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.219 5.671 10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.895 5.347 11.360 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.915 3.178 11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.995 5.738 13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.937 5.102 14.785 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.859 2.380 13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.736 3.215 15.247 1.00 0.00 H new ATOM 657 N SER A 38 -7.854 0.678 8.450 1.00 0.00 N ATOM 658 CA SER A 38 -6.962 -0.335 8.997 1.00 0.00 C ATOM 659 C SER A 38 -5.695 -0.453 8.160 1.00 0.00 C ATOM 660 O SER A 38 -5.658 -1.185 7.172 1.00 0.00 O ATOM 661 CB SER A 38 -7.675 -1.688 9.062 1.00 0.00 C ATOM 662 OG SER A 38 -8.476 -1.788 10.227 1.00 0.00 O ATOM 0 H SER A 38 -8.628 0.306 7.900 1.00 0.00 H new ATOM 0 HA SER A 38 -6.681 -0.031 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.298 -1.817 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.938 -2.491 9.053 1.00 0.00 H new ATOM 0 HG SER A 38 -8.922 -2.661 10.244 1.00 0.00 H new ATOM 668 N ASP A 39 -4.653 0.269 8.562 1.00 0.00 N ATOM 669 CA ASP A 39 -3.379 0.246 7.847 1.00 0.00 C ATOM 670 C ASP A 39 -2.212 0.132 8.823 1.00 0.00 C ATOM 671 O ASP A 39 -2.202 0.780 9.870 1.00 0.00 O ATOM 672 CB ASP A 39 -3.229 1.513 6.998 1.00 0.00 C ATOM 673 CG ASP A 39 -3.228 2.777 7.840 1.00 0.00 C ATOM 674 OD1 ASP A 39 -2.302 2.942 8.663 1.00 0.00 O ATOM 675 OD2 ASP A 39 -4.152 3.600 7.673 1.00 0.00 O ATOM 0 H ASP A 39 -4.665 0.878 9.380 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.369 -0.626 7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.301 1.458 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.044 1.562 6.275 1.00 0.00 H new ATOM 680 N THR A 40 -1.222 -0.688 8.473 1.00 0.00 N ATOM 681 CA THR A 40 -0.051 -0.871 9.323 1.00 0.00 C ATOM 682 C THR A 40 1.237 -0.880 8.507 1.00 0.00 C ATOM 683 O THR A 40 1.216 -0.906 7.272 1.00 0.00 O ATOM 684 CB THR A 40 -0.157 -2.162 10.141 1.00 0.00 C ATOM 685 OG1 THR A 40 1.122 -2.601 10.568 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.806 -3.305 9.391 1.00 0.00 C ATOM 0 H THR A 40 -1.209 -1.233 7.611 1.00 0.00 H new ATOM 0 HA THR A 40 -0.019 -0.023 10.008 1.00 0.00 H new ATOM 0 HB THR A 40 -0.789 -1.903 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.520 -3.171 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.846 -4.185 10.033 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.817 -3.021 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.222 -3.533 8.499 1.00 0.00 H new ATOM 694 N TRP A 41 2.357 -0.849 9.220 1.00 0.00 N ATOM 695 CA TRP A 41 3.669 -0.838 8.603 1.00 0.00 C ATOM 696 C TRP A 41 4.307 -2.221 8.650 1.00 0.00 C ATOM 697 O TRP A 41 4.274 -2.914 9.667 1.00 0.00 O ATOM 698 CB TRP A 41 4.564 0.198 9.293 1.00 0.00 C ATOM 699 CG TRP A 41 4.073 1.597 9.082 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.050 2.214 9.743 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.567 2.545 8.130 1.00 0.00 C ATOM 702 NE1 TRP A 41 2.870 3.483 9.251 1.00 0.00 N ATOM 703 CE2 TRP A 41 3.793 3.712 8.263 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.584 2.515 7.172 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.008 4.844 7.479 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.794 3.635 6.390 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.010 4.789 6.549 1.00 0.00 C ATOM 0 H TRP A 41 2.376 -0.831 10.240 1.00 0.00 H new ATOM 0 HA TRP A 41 3.556 -0.561 7.555 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.606 -0.014 10.361 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.581 0.110 8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 41 2.468 1.769 10.536 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.164 4.148 9.569 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.194 1.633 7.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.406 5.732 7.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.575 3.622 5.644 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.202 5.650 5.925 1.00 0.00 H new ATOM 718 N GLU A 42 4.899 -2.594 7.532 1.00 0.00 N ATOM 719 CA GLU A 42 5.563 -3.868 7.378 1.00 0.00 C ATOM 720 C GLU A 42 6.900 -3.663 6.690 1.00 0.00 C ATOM 721 O GLU A 42 7.109 -2.650 6.033 1.00 0.00 O ATOM 722 CB GLU A 42 4.723 -4.797 6.497 1.00 0.00 C ATOM 723 CG GLU A 42 3.300 -4.321 6.243 1.00 0.00 C ATOM 724 CD GLU A 42 2.298 -4.914 7.212 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.164 -4.378 8.331 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.651 -5.918 6.851 1.00 0.00 O ATOM 0 H GLU A 42 4.931 -2.011 6.696 1.00 0.00 H new ATOM 0 HA GLU A 42 5.699 -4.307 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.227 -4.919 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.684 -5.781 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.268 -3.234 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.011 -4.582 5.225 1.00 0.00 H new ATOM 733 N PRO A 43 7.805 -4.641 6.768 1.00 0.00 N ATOM 734 CA PRO A 43 9.077 -4.554 6.083 1.00 0.00 C ATOM 735 C PRO A 43 8.911 -4.907 4.605 1.00 0.00 C ATOM 736 O PRO A 43 7.845 -5.356 4.189 1.00 0.00 O ATOM 737 CB PRO A 43 9.963 -5.571 6.800 1.00 0.00 C ATOM 738 CG PRO A 43 9.051 -6.432 7.628 1.00 0.00 C ATOM 739 CD PRO A 43 7.640 -5.918 7.467 1.00 0.00 C ATOM 0 HA PRO A 43 9.504 -3.551 6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.518 -6.174 6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.697 -5.068 7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.115 -7.472 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.349 -6.403 8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.026 -6.611 6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.151 -5.784 8.432 1.00 0.00 H new ATOM 747 N PRO A 44 9.969 -4.758 3.796 1.00 0.00 N ATOM 748 CA PRO A 44 9.923 -5.082 2.365 1.00 0.00 C ATOM 749 C PRO A 44 10.036 -6.568 2.107 1.00 0.00 C ATOM 750 O PRO A 44 9.336 -7.135 1.269 1.00 0.00 O ATOM 751 CB PRO A 44 11.151 -4.362 1.834 1.00 0.00 C ATOM 752 CG PRO A 44 12.112 -4.421 2.928 1.00 0.00 C ATOM 753 CD PRO A 44 11.311 -4.305 4.204 1.00 0.00 C ATOM 0 HA PRO A 44 8.984 -4.786 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.539 -4.847 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.921 -3.332 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.671 -5.356 2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.839 -3.613 2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.723 -4.928 4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.295 -3.282 4.579 1.00 0.00 H new ATOM 761 N GLU A 45 10.950 -7.172 2.824 1.00 0.00 N ATOM 762 CA GLU A 45 11.205 -8.605 2.705 1.00 0.00 C ATOM 763 C GLU A 45 9.928 -9.405 2.964 1.00 0.00 C ATOM 764 O GLU A 45 9.772 -10.523 2.470 1.00 0.00 O ATOM 765 CB GLU A 45 12.300 -9.037 3.682 1.00 0.00 C ATOM 766 CG GLU A 45 13.692 -9.032 3.073 1.00 0.00 C ATOM 767 CD GLU A 45 14.789 -9.058 4.121 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.482 -8.818 5.308 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.954 -9.316 3.754 1.00 0.00 O ATOM 0 H GLU A 45 11.541 -6.697 3.506 1.00 0.00 H new ATOM 0 HA GLU A 45 11.541 -8.806 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.288 -8.373 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.075 -10.039 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.801 -9.896 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.809 -8.144 2.452 1.00 0.00 H new ATOM 776 N ASN A 46 9.017 -8.822 3.738 1.00 0.00 N ATOM 777 CA ASN A 46 7.750 -9.466 4.061 1.00 0.00 C ATOM 778 C ASN A 46 6.863 -9.553 2.822 1.00 0.00 C ATOM 779 O ASN A 46 6.110 -10.512 2.643 1.00 0.00 O ATOM 780 CB ASN A 46 7.023 -8.663 5.143 1.00 0.00 C ATOM 781 CG ASN A 46 7.247 -9.199 6.542 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.132 -10.021 6.777 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.433 -8.725 7.482 1.00 0.00 N ATOM 0 H ASN A 46 9.135 -7.899 4.155 1.00 0.00 H new ATOM 0 HA ASN A 46 7.957 -10.473 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.357 -7.626 5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.954 -8.663 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.528 -9.043 8.447 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.714 -8.044 7.238 1.00 0.00 H new ATOM 790 N LEU A 47 6.938 -8.519 1.994 1.00 0.00 N ATOM 791 CA LEU A 47 6.128 -8.436 0.780 1.00 0.00 C ATOM 792 C LEU A 47 6.517 -9.487 -0.255 1.00 0.00 C ATOM 793 O LEU A 47 5.842 -9.631 -1.274 1.00 0.00 O ATOM 794 CB LEU A 47 6.215 -7.047 0.143 1.00 0.00 C ATOM 795 CG LEU A 47 6.670 -5.911 1.056 1.00 0.00 C ATOM 796 CD1 LEU A 47 7.084 -4.716 0.227 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.574 -5.525 2.034 1.00 0.00 C ATOM 0 H LEU A 47 7.555 -7.720 2.140 1.00 0.00 H new ATOM 0 HA LEU A 47 5.102 -8.628 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.900 -7.101 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.234 -6.792 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 47 7.528 -6.256 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.407 -3.910 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.905 -4.997 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.238 -4.378 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.925 -4.714 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.693 -5.198 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.317 -6.386 2.651 1.00 0.00 H new ATOM 809 N SER A 48 7.620 -10.197 -0.036 1.00 0.00 N ATOM 810 CA SER A 48 8.070 -11.204 -0.996 1.00 0.00 C ATOM 811 C SER A 48 6.893 -12.000 -1.556 1.00 0.00 C ATOM 812 O SER A 48 6.715 -12.094 -2.770 1.00 0.00 O ATOM 813 CB SER A 48 9.076 -12.150 -0.338 1.00 0.00 C ATOM 814 OG SER A 48 8.475 -12.882 0.715 1.00 0.00 O ATOM 0 H SER A 48 8.214 -10.097 0.787 1.00 0.00 H new ATOM 0 HA SER A 48 8.554 -10.686 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.473 -12.839 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.919 -11.577 0.048 1.00 0.00 H new ATOM 0 HG SER A 48 8.657 -12.436 1.569 1.00 0.00 H new ATOM 820 N GLY A 49 6.097 -12.575 -0.662 1.00 0.00 N ATOM 821 CA GLY A 49 4.953 -13.357 -1.086 1.00 0.00 C ATOM 822 C GLY A 49 3.772 -12.504 -1.515 1.00 0.00 C ATOM 823 O GLY A 49 2.895 -12.976 -2.237 1.00 0.00 O ATOM 0 H GLY A 49 6.224 -12.513 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.248 -14.001 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.644 -14.010 -0.269 1.00 0.00 H new ATOM 827 N CYS A 50 3.726 -11.254 -1.050 1.00 0.00 N ATOM 828 CA CYS A 50 2.626 -10.357 -1.383 1.00 0.00 C ATOM 829 C CYS A 50 2.307 -10.387 -2.877 1.00 0.00 C ATOM 830 O CYS A 50 1.251 -10.878 -3.276 1.00 0.00 O ATOM 831 CB CYS A 50 2.950 -8.937 -0.911 1.00 0.00 C ATOM 832 SG CYS A 50 2.139 -8.480 0.640 1.00 0.00 S ATOM 0 H CYS A 50 4.437 -10.844 -0.444 1.00 0.00 H new ATOM 0 HA CYS A 50 1.733 -10.702 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.029 -8.843 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.655 -8.230 -1.686 1.00 0.00 H new ATOM 0 HG CYS A 50 2.616 -7.346 1.061 1.00 0.00 H new ATOM 838 N SER A 51 3.215 -9.874 -3.703 1.00 0.00 N ATOM 839 CA SER A 51 3.041 -9.852 -5.164 1.00 0.00 C ATOM 840 C SER A 51 2.146 -8.701 -5.627 1.00 0.00 C ATOM 841 O SER A 51 2.593 -7.813 -6.364 1.00 0.00 O ATOM 842 CB SER A 51 2.477 -11.186 -5.664 1.00 0.00 C ATOM 843 OG SER A 51 2.935 -12.264 -4.867 1.00 0.00 O ATOM 0 H SER A 51 4.092 -9.461 -3.386 1.00 0.00 H new ATOM 0 HA SER A 51 4.030 -9.694 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.388 -11.153 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.774 -11.344 -6.701 1.00 0.00 H new ATOM 0 HG SER A 51 2.276 -12.458 -4.168 1.00 0.00 H new ATOM 849 N ALA A 52 0.890 -8.701 -5.195 1.00 0.00 N ATOM 850 CA ALA A 52 -0.029 -7.639 -5.584 1.00 0.00 C ATOM 851 C ALA A 52 0.485 -6.303 -5.078 1.00 0.00 C ATOM 852 O ALA A 52 0.607 -5.334 -5.831 1.00 0.00 O ATOM 853 CB ALA A 52 -1.425 -7.914 -5.046 1.00 0.00 C ATOM 0 H ALA A 52 0.489 -9.413 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.088 -7.605 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.096 -7.110 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.790 -8.860 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.391 -7.970 -3.958 1.00 0.00 H new ATOM 859 N VAL A 53 0.798 -6.277 -3.792 1.00 0.00 N ATOM 860 CA VAL A 53 1.314 -5.087 -3.138 1.00 0.00 C ATOM 861 C VAL A 53 2.450 -4.456 -3.931 1.00 0.00 C ATOM 862 O VAL A 53 2.412 -3.261 -4.271 1.00 0.00 O ATOM 863 CB VAL A 53 1.816 -5.449 -1.728 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.313 -4.223 -0.984 1.00 0.00 C ATOM 865 CG2 VAL A 53 0.715 -6.146 -0.955 1.00 0.00 C ATOM 0 H VAL A 53 0.701 -7.082 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 53 0.502 -4.362 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 53 2.662 -6.129 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.660 -4.515 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.136 -3.770 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.501 -3.502 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.075 -6.400 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.147 -5.484 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.423 -7.057 -1.478 1.00 0.00 H new ATOM 875 N LEU A 54 3.446 -5.267 -4.254 1.00 0.00 N ATOM 876 CA LEU A 54 4.573 -4.791 -5.025 1.00 0.00 C ATOM 877 C LEU A 54 4.082 -4.244 -6.351 1.00 0.00 C ATOM 878 O LEU A 54 4.609 -3.260 -6.853 1.00 0.00 O ATOM 879 CB LEU A 54 5.586 -5.915 -5.245 1.00 0.00 C ATOM 880 CG LEU A 54 6.211 -6.484 -3.966 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.275 -7.515 -4.307 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.795 -5.367 -3.107 1.00 0.00 C ATOM 0 H LEU A 54 3.493 -6.252 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 54 5.073 -3.994 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.095 -6.726 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.384 -5.543 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 54 5.428 -6.978 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.708 -7.909 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.824 -8.330 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.057 -7.047 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.233 -5.793 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.565 -4.840 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.005 -4.669 -2.832 1.00 0.00 H new ATOM 894 N ALA A 55 3.060 -4.887 -6.907 1.00 0.00 N ATOM 895 CA ALA A 55 2.492 -4.448 -8.174 1.00 0.00 C ATOM 896 C ALA A 55 1.958 -3.018 -8.090 1.00 0.00 C ATOM 897 O ALA A 55 2.243 -2.206 -8.979 1.00 0.00 O ATOM 898 CB ALA A 55 1.397 -5.401 -8.631 1.00 0.00 C ATOM 0 H ALA A 55 2.611 -5.709 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 55 3.294 -4.457 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.986 -5.055 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.814 -6.400 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.606 -5.432 -7.882 1.00 0.00 H new ATOM 904 N GLU A 56 1.201 -2.674 -7.030 1.00 0.00 N ATOM 905 CA GLU A 56 0.704 -1.318 -6.925 1.00 0.00 C ATOM 906 C GLU A 56 1.880 -0.384 -6.873 1.00 0.00 C ATOM 907 O GLU A 56 1.909 0.617 -7.551 1.00 0.00 O ATOM 908 CB GLU A 56 -0.163 -1.101 -5.677 1.00 0.00 C ATOM 909 CG GLU A 56 0.552 -0.314 -4.583 1.00 0.00 C ATOM 910 CD GLU A 56 -0.363 0.593 -3.779 1.00 0.00 C ATOM 911 OE1 GLU A 56 -0.979 1.496 -4.383 1.00 0.00 O ATOM 912 OE2 GLU A 56 -0.460 0.404 -2.549 1.00 0.00 O ATOM 0 H GLU A 56 0.936 -3.300 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 56 0.075 -1.123 -7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.073 -0.573 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.467 -2.069 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.040 -1.014 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.338 0.290 -5.038 1.00 0.00 H new ATOM 919 N TRP A 57 2.834 -0.712 -6.017 1.00 0.00 N ATOM 920 CA TRP A 57 3.989 0.136 -5.833 1.00 0.00 C ATOM 921 C TRP A 57 4.704 0.411 -7.155 1.00 0.00 C ATOM 922 O TRP A 57 4.864 1.572 -7.525 1.00 0.00 O ATOM 923 CB TRP A 57 4.903 -0.427 -4.735 1.00 0.00 C ATOM 924 CG TRP A 57 5.592 0.649 -3.955 1.00 0.00 C ATOM 925 CD1 TRP A 57 6.871 0.633 -3.497 1.00 0.00 C ATOM 926 CD2 TRP A 57 5.040 1.914 -3.562 1.00 0.00 C ATOM 927 NE1 TRP A 57 7.159 1.809 -2.862 1.00 0.00 N ATOM 928 CE2 TRP A 57 6.050 2.615 -2.889 1.00 0.00 C ATOM 929 CE3 TRP A 57 3.789 2.524 -3.719 1.00 0.00 C ATOM 930 CZ2 TRP A 57 5.849 3.897 -2.384 1.00 0.00 C ATOM 931 CZ3 TRP A 57 3.597 3.787 -3.216 1.00 0.00 C ATOM 932 CH2 TRP A 57 4.622 4.464 -2.560 1.00 0.00 C ATOM 0 H TRP A 57 2.828 -1.556 -5.444 1.00 0.00 H new ATOM 0 HA TRP A 57 3.656 1.113 -5.483 1.00 0.00 H new ATOM 0 HB2 TRP A 57 4.313 -1.042 -4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.650 -1.078 -5.188 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.560 -0.190 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.055 2.048 -2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 57 2.988 2.009 -4.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.639 4.424 -1.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.635 4.264 -3.331 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.441 5.460 -2.183 1.00 0.00 H new ATOM 943 N LYS A 58 5.129 -0.620 -7.879 1.00 0.00 N ATOM 944 CA LYS A 58 5.810 -0.401 -9.159 1.00 0.00 C ATOM 945 C LYS A 58 4.991 0.510 -10.085 1.00 0.00 C ATOM 946 O LYS A 58 5.482 1.536 -10.555 1.00 0.00 O ATOM 947 CB LYS A 58 6.127 -1.720 -9.881 1.00 0.00 C ATOM 948 CG LYS A 58 5.398 -2.921 -9.341 1.00 0.00 C ATOM 949 CD LYS A 58 5.223 -3.991 -10.409 1.00 0.00 C ATOM 950 CE LYS A 58 4.354 -3.498 -11.555 1.00 0.00 C ATOM 951 NZ LYS A 58 5.166 -2.977 -12.690 1.00 0.00 N ATOM 0 H LYS A 58 5.019 -1.598 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 58 6.752 0.092 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.883 -1.608 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.200 -1.904 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.950 -3.334 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.421 -2.617 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.199 -4.287 -10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.773 -4.879 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.722 -4.313 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.690 -2.712 -11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.905 -1.988 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.176 -3.028 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.985 -3.550 -13.538 1.00 0.00 H new ATOM 965 N ARG A 59 3.753 0.109 -10.363 1.00 0.00 N ATOM 966 CA ARG A 59 2.870 0.870 -11.258 1.00 0.00 C ATOM 967 C ARG A 59 2.627 2.305 -10.777 1.00 0.00 C ATOM 968 O ARG A 59 2.339 3.197 -11.576 1.00 0.00 O ATOM 969 CB ARG A 59 1.519 0.163 -11.384 1.00 0.00 C ATOM 970 CG ARG A 59 1.615 -1.276 -11.859 1.00 0.00 C ATOM 971 CD ARG A 59 0.242 -1.919 -11.973 1.00 0.00 C ATOM 972 NE ARG A 59 0.070 -2.623 -13.242 1.00 0.00 N ATOM 973 CZ ARG A 59 0.561 -3.836 -13.488 1.00 0.00 C ATOM 974 NH1 ARG A 59 1.259 -4.478 -12.559 1.00 0.00 N ATOM 975 NH2 ARG A 59 0.357 -4.407 -14.667 1.00 0.00 N ATOM 0 H ARG A 59 3.333 -0.739 -9.983 1.00 0.00 H new ATOM 0 HA ARG A 59 3.376 0.920 -12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.019 0.182 -10.416 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.891 0.722 -12.078 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.114 -1.308 -12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.230 -1.849 -11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.100 -2.618 -11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.526 -1.152 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.456 -2.158 -13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.422 -4.042 -11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.633 -5.407 -12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.176 -3.917 -15.386 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.733 -5.336 -14.856 1.00 0.00 H new ATOM 989 N ARG A 60 2.692 2.503 -9.470 1.00 0.00 N ATOM 990 CA ARG A 60 2.419 3.800 -8.851 1.00 0.00 C ATOM 991 C ARG A 60 3.675 4.610 -8.590 1.00 0.00 C ATOM 992 O ARG A 60 3.609 5.835 -8.502 1.00 0.00 O ATOM 993 CB ARG A 60 1.643 3.608 -7.545 1.00 0.00 C ATOM 994 CG ARG A 60 0.144 3.802 -7.705 1.00 0.00 C ATOM 995 CD ARG A 60 -0.181 5.190 -8.235 1.00 0.00 C ATOM 996 NE ARG A 60 -1.601 5.508 -8.120 1.00 0.00 N ATOM 997 CZ ARG A 60 -2.089 6.746 -8.178 1.00 0.00 C ATOM 998 NH1 ARG A 60 -1.273 7.782 -8.334 1.00 0.00 N ATOM 999 NH2 ARG A 60 -3.396 6.950 -8.077 1.00 0.00 N ATOM 0 H ARG A 60 2.936 1.771 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 60 1.818 4.366 -9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.834 2.606 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.017 4.312 -6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.252 3.049 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.349 3.653 -6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.401 5.931 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.121 5.257 -9.280 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.257 4.738 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.267 7.632 -8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.652 8.728 -8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.028 6.159 -7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.769 7.898 -8.121 1.00 0.00 H new ATOM 1013 N LYS A 61 4.807 3.931 -8.435 1.00 0.00 N ATOM 1014 CA LYS A 61 6.083 4.607 -8.169 1.00 0.00 C ATOM 1015 C LYS A 61 6.166 5.940 -8.906 1.00 0.00 C ATOM 1016 O LYS A 61 6.757 6.901 -8.419 1.00 0.00 O ATOM 1017 CB LYS A 61 7.260 3.717 -8.581 1.00 0.00 C ATOM 1018 CG LYS A 61 7.588 2.632 -7.567 1.00 0.00 C ATOM 1019 CD LYS A 61 8.968 2.830 -6.951 1.00 0.00 C ATOM 1020 CE LYS A 61 9.153 4.243 -6.416 1.00 0.00 C ATOM 1021 NZ LYS A 61 9.496 4.249 -4.967 1.00 0.00 N ATOM 0 H LYS A 61 4.872 2.914 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 61 6.136 4.799 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.033 3.250 -9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.141 4.341 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.835 2.632 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.543 1.657 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.111 2.114 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.733 2.622 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.942 4.743 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.238 4.814 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.613 5.230 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.732 3.795 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.383 3.727 -4.818 1.00 0.00 H new ATOM 1035 N ARG A 62 5.539 5.984 -10.068 1.00 0.00 N ATOM 1036 CA ARG A 62 5.499 7.188 -10.889 1.00 0.00 C ATOM 1037 C ARG A 62 4.951 8.405 -10.128 1.00 0.00 C ATOM 1038 O ARG A 62 5.022 9.527 -10.629 1.00 0.00 O ATOM 1039 CB ARG A 62 4.680 6.939 -12.156 1.00 0.00 C ATOM 1040 CG ARG A 62 5.520 6.963 -13.423 1.00 0.00 C ATOM 1041 CD ARG A 62 4.751 6.431 -14.621 1.00 0.00 C ATOM 1042 NE ARG A 62 4.322 7.504 -15.514 1.00 0.00 N ATOM 1043 CZ ARG A 62 5.161 8.299 -16.176 1.00 0.00 C ATOM 1044 NH1 ARG A 62 6.474 8.134 -16.061 1.00 0.00 N ATOM 1045 NH2 ARG A 62 4.687 9.258 -16.958 1.00 0.00 N ATOM 0 H ARG A 62 5.043 5.189 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 62 6.528 7.422 -11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.182 5.973 -12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.899 7.695 -12.231 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.845 7.984 -13.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.419 6.365 -13.274 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.377 5.729 -15.172 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.879 5.876 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 62 3.321 7.653 -15.638 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.845 7.395 -15.463 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.111 8.746 -16.570 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.680 9.387 -17.053 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.329 9.867 -17.465 1.00 0.00 H new ATOM 1059 N ARG A 63 4.430 8.195 -8.915 1.00 0.00 N ATOM 1060 CA ARG A 63 3.923 9.320 -8.128 1.00 0.00 C ATOM 1061 C ARG A 63 4.315 9.229 -6.651 1.00 0.00 C ATOM 1062 O ARG A 63 5.057 10.089 -6.190 1.00 0.00 O ATOM 1063 CB ARG A 63 2.403 9.463 -8.288 1.00 0.00 C ATOM 1064 CG ARG A 63 1.959 10.843 -8.776 1.00 0.00 C ATOM 1065 CD ARG A 63 2.893 11.398 -9.848 1.00 0.00 C ATOM 1066 NE ARG A 63 2.331 12.554 -10.546 1.00 0.00 N ATOM 1067 CZ ARG A 63 2.521 13.819 -10.167 1.00 0.00 C ATOM 1068 NH1 ARG A 63 3.184 14.099 -9.051 1.00 0.00 N ATOM 1069 NH2 ARG A 63 2.036 14.807 -10.905 1.00 0.00 N ATOM 0 H ARG A 63 4.350 7.282 -8.467 1.00 0.00 H new ATOM 0 HA ARG A 63 4.397 10.219 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.049 8.709 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.925 9.256 -7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.947 10.778 -9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.925 11.532 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.839 11.682 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.114 10.614 -10.572 1.00 0.00 H new ATOM 0 HE ARG A 63 1.759 12.383 -11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.554 13.343 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.324 15.070 -8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.519 14.599 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.179 15.775 -10.618 1.00 0.00 H new ATOM 1083 N LEU A 64 3.799 8.244 -5.895 1.00 0.00 N ATOM 1084 CA LEU A 64 4.082 8.093 -4.459 1.00 0.00 C ATOM 1085 C LEU A 64 3.966 9.382 -3.643 1.00 0.00 C ATOM 1086 O LEU A 64 4.579 9.512 -2.584 1.00 0.00 O ATOM 1087 CB LEU A 64 5.383 7.308 -4.191 1.00 0.00 C ATOM 1088 CG LEU A 64 6.751 7.957 -4.471 1.00 0.00 C ATOM 1089 CD1 LEU A 64 7.255 7.573 -5.852 1.00 0.00 C ATOM 1090 CD2 LEU A 64 6.731 9.463 -4.303 1.00 0.00 C ATOM 0 H LEU A 64 3.173 7.529 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 64 3.268 7.476 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.373 7.015 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.334 6.391 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 64 7.443 7.569 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.223 8.042 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.360 6.490 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.544 7.911 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.722 9.866 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.009 9.897 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.448 9.711 -3.280 1.00 0.00 H new ATOM 1102 N LYS A 65 3.128 10.302 -4.119 1.00 0.00 N ATOM 1103 CA LYS A 65 2.868 11.562 -3.419 1.00 0.00 C ATOM 1104 C LYS A 65 1.398 11.955 -3.572 1.00 0.00 C ATOM 1105 O LYS A 65 0.670 11.362 -4.368 1.00 0.00 O ATOM 1106 CB LYS A 65 3.767 12.685 -3.944 1.00 0.00 C ATOM 1107 CG LYS A 65 4.838 13.112 -2.957 1.00 0.00 C ATOM 1108 CD LYS A 65 5.999 12.141 -2.966 1.00 0.00 C ATOM 1109 CE LYS A 65 6.952 12.426 -4.114 1.00 0.00 C ATOM 1110 NZ LYS A 65 8.361 12.082 -3.772 1.00 0.00 N ATOM 0 H LYS A 65 2.613 10.198 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 65 3.093 11.413 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.245 12.356 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.149 13.548 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.193 14.111 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.413 13.168 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.537 12.206 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.622 11.122 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.643 11.857 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.892 13.481 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.868 11.799 -4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.828 12.910 -3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.371 11.296 -3.091 1.00 0.00 H new ATOM 1124 N GLY A 66 0.961 12.949 -2.801 1.00 0.00 N ATOM 1125 CA GLY A 66 -0.423 13.388 -2.872 1.00 0.00 C ATOM 1126 C GLY A 66 -0.747 14.471 -1.861 1.00 0.00 C ATOM 1127 O GLY A 66 -0.133 15.538 -1.867 1.00 0.00 O ATOM 0 H GLY A 66 1.539 13.456 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.631 13.760 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.080 12.534 -2.706 1.00 0.00 H new ATOM 1131 N SER A 67 -1.717 14.198 -0.994 1.00 0.00 N ATOM 1132 CA SER A 67 -2.125 15.161 0.024 1.00 0.00 C ATOM 1133 C SER A 67 -2.587 14.454 1.295 1.00 0.00 C ATOM 1134 O SER A 67 -2.017 14.652 2.369 1.00 0.00 O ATOM 1135 CB SER A 67 -3.247 16.054 -0.512 1.00 0.00 C ATOM 1136 OG SER A 67 -4.259 15.281 -1.134 1.00 0.00 O ATOM 0 H SER A 67 -2.235 13.319 -0.976 1.00 0.00 H new ATOM 0 HA SER A 67 -1.261 15.778 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.677 16.633 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.838 16.768 -1.227 1.00 0.00 H new ATOM 0 HG SER A 67 -4.965 15.873 -1.467 1.00 0.00 H new ATOM 1142 N ASN A 68 -3.626 13.634 1.166 1.00 0.00 N ATOM 1143 CA ASN A 68 -4.170 12.900 2.302 1.00 0.00 C ATOM 1144 C ASN A 68 -4.523 13.843 3.451 1.00 0.00 C ATOM 1145 O ASN A 68 -4.514 13.448 4.616 1.00 0.00 O ATOM 1146 CB ASN A 68 -3.172 11.845 2.784 1.00 0.00 C ATOM 1147 CG ASN A 68 -3.812 10.823 3.704 1.00 0.00 C ATOM 1148 OD1 ASN A 68 -4.944 10.393 3.481 1.00 0.00 O ATOM 1149 ND2 ASN A 68 -3.090 10.428 4.747 1.00 0.00 N ATOM 0 H ASN A 68 -4.108 13.462 0.284 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.083 12.404 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.742 11.335 1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.351 12.337 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.470 9.743 5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.156 10.810 4.895 1.00 0.00 H new ATOM 1156 N SER A 69 -4.829 15.093 3.113 1.00 0.00 N ATOM 1157 CA SER A 69 -5.183 16.092 4.114 1.00 0.00 C ATOM 1158 C SER A 69 -4.100 16.205 5.184 1.00 0.00 C ATOM 1159 O SER A 69 -4.344 16.888 6.201 1.00 0.00 O ATOM 1160 CB SER A 69 -6.524 15.743 4.763 1.00 0.00 C ATOM 1161 OG SER A 69 -7.450 15.276 3.797 1.00 0.00 O ATOM 1162 OXT SER A 69 -3.019 15.608 4.996 1.00 0.00 O ATOM 0 H SER A 69 -4.839 15.437 2.153 1.00 0.00 H new ATOM 0 HA SER A 69 -5.270 17.055 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.375 14.980 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.929 16.622 5.265 1.00 0.00 H new ATOM 0 HG SER A 69 -8.299 15.058 4.236 1.00 0.00 H new TER 1168 SER A 69