USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.353 K(o=-0.35,f=-4.4!) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 21 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 24 SER OG : rot 112:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.926 K(o=-0.93,f=-4.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.963 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -170:sc= -0.49 USER MOD Single : A 54 MET CE :methyl -110:sc= -7.02! (180deg=-9.94!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -148:sc= 0.247 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 150:sc= -1.01 USER MOD Single : A 71 TYR OH : rot 133:sc= -2.63 USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0791) USER MOD Single : A 78 ASN : amide:sc= -0.755 X(o=-0.76,f=-0.94) USER MOD Single : A 81 SER OG : rot 87:sc= -0.806 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 67:sc= 0.247 USER MOD Single : A 90 CYS SG : rot -130:sc= -0.931 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -123:sc= 0.25 (180deg=0.000323) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -12.422 -21.455 -10.713 1.00 0.00 N ATOM 69 CA ASN A 8 -11.447 -21.511 -11.795 1.00 0.00 C ATOM 70 C ASN A 8 -10.235 -22.345 -11.393 1.00 0.00 C ATOM 71 O ASN A 8 -9.438 -21.934 -10.548 1.00 0.00 O ATOM 72 CB ASN A 8 -11.006 -20.097 -12.186 1.00 0.00 C ATOM 73 CG ASN A 8 -11.270 -19.793 -13.648 1.00 0.00 C ATOM 74 OD1 ASN A 8 -10.405 -19.994 -14.501 1.00 0.00 O ATOM 75 ND2 ASN A 8 -12.468 -19.304 -13.944 1.00 0.00 N ATOM 0 HA ASN A 8 -11.921 -21.986 -12.654 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -11.532 -19.371 -11.566 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.942 -19.981 -11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.702 -19.079 -14.911 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.154 -19.153 -13.205 1.00 0.00 H new ATOM 82 N GLU A 9 -10.101 -23.517 -12.005 1.00 0.00 N ATOM 83 CA GLU A 9 -8.985 -24.410 -11.712 1.00 0.00 C ATOM 84 C GLU A 9 -7.919 -24.345 -12.805 1.00 0.00 C ATOM 85 O GLU A 9 -6.867 -24.973 -12.693 1.00 0.00 O ATOM 86 CB GLU A 9 -9.485 -25.848 -11.556 1.00 0.00 C ATOM 87 CG GLU A 9 -9.857 -26.212 -10.129 1.00 0.00 C ATOM 88 CD GLU A 9 -11.051 -27.143 -10.056 1.00 0.00 C ATOM 89 OE1 GLU A 9 -12.187 -26.669 -10.266 1.00 0.00 O ATOM 90 OE2 GLU A 9 -10.850 -28.347 -9.789 1.00 0.00 O ATOM 0 H GLU A 9 -10.751 -23.871 -12.707 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.532 -24.082 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.354 -25.993 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.713 -26.532 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.003 -26.684 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.077 -25.302 -9.571 1.00 0.00 H new ATOM 97 N GLU A 10 -8.195 -23.585 -13.863 1.00 0.00 N ATOM 98 CA GLU A 10 -7.254 -23.445 -14.968 1.00 0.00 C ATOM 99 C GLU A 10 -6.400 -22.190 -14.808 1.00 0.00 C ATOM 100 O GLU A 10 -5.854 -21.671 -15.782 1.00 0.00 O ATOM 101 CB GLU A 10 -8.006 -23.401 -16.300 1.00 0.00 C ATOM 102 CG GLU A 10 -7.430 -24.331 -17.355 1.00 0.00 C ATOM 103 CD GLU A 10 -8.420 -24.645 -18.459 1.00 0.00 C ATOM 104 OE1 GLU A 10 -9.638 -24.644 -18.181 1.00 0.00 O ATOM 105 OE2 GLU A 10 -7.979 -24.890 -19.601 1.00 0.00 O ATOM 0 H GLU A 10 -9.061 -23.058 -13.977 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.592 -24.311 -14.959 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.050 -23.663 -16.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.993 -22.380 -16.681 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.540 -23.875 -17.789 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.113 -25.260 -16.881 1.00 0.00 H new ATOM 112 N LEU A 11 -6.287 -21.705 -13.574 1.00 0.00 N ATOM 113 CA LEU A 11 -5.498 -20.512 -13.290 1.00 0.00 C ATOM 114 C LEU A 11 -4.776 -20.638 -11.951 1.00 0.00 C ATOM 115 O LEU A 11 -4.399 -19.636 -11.343 1.00 0.00 O ATOM 116 CB LEU A 11 -6.394 -19.273 -13.284 1.00 0.00 C ATOM 117 CG LEU A 11 -5.653 -17.938 -13.361 1.00 0.00 C ATOM 118 CD1 LEU A 11 -5.443 -17.526 -14.809 1.00 0.00 C ATOM 119 CD2 LEU A 11 -6.416 -16.861 -12.604 1.00 0.00 C ATOM 0 H LEU A 11 -6.732 -22.121 -12.756 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.749 -20.409 -14.076 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.083 -19.338 -14.126 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.998 -19.284 -12.376 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.675 -18.060 -12.894 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.914 -16.574 -14.843 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.854 -18.287 -15.322 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.410 -17.422 -15.302 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.874 -15.917 -12.669 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.407 -16.741 -13.042 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.514 -17.152 -11.558 1.00 0.00 H new ATOM 131 N ARG A 12 -4.586 -21.874 -11.495 1.00 0.00 N ATOM 132 CA ARG A 12 -3.909 -22.126 -10.229 1.00 0.00 C ATOM 133 C ARG A 12 -2.466 -22.561 -10.463 1.00 0.00 C ATOM 134 O ARG A 12 -1.576 -22.249 -9.671 1.00 0.00 O ATOM 135 CB ARG A 12 -4.656 -23.197 -9.431 1.00 0.00 C ATOM 136 CG ARG A 12 -4.020 -23.511 -8.087 1.00 0.00 C ATOM 137 CD ARG A 12 -4.487 -22.549 -7.006 1.00 0.00 C ATOM 138 NE ARG A 12 -3.406 -21.686 -6.537 1.00 0.00 N ATOM 139 CZ ARG A 12 -3.429 -21.032 -5.377 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.475 -21.138 -4.568 1.00 0.00 N ATOM 141 NH2 ARG A 12 -2.402 -20.270 -5.027 1.00 0.00 N ATOM 0 H ARG A 12 -4.892 -22.715 -11.984 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.902 -21.198 -9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.682 -22.867 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.704 -24.111 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.267 -24.532 -7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.935 -23.459 -8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.299 -21.934 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.889 -23.115 -6.166 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.585 -21.578 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.268 -21.723 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.487 -20.635 -3.681 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.596 -20.185 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.418 -19.769 -4.139 1.00 0.00 H new ATOM 155 N ALA A 13 -2.242 -23.284 -11.555 1.00 0.00 N ATOM 156 CA ALA A 13 -0.908 -23.762 -11.894 1.00 0.00 C ATOM 157 C ALA A 13 -0.153 -22.736 -12.733 1.00 0.00 C ATOM 158 O ALA A 13 1.075 -22.663 -12.687 1.00 0.00 O ATOM 159 CB ALA A 13 -0.995 -25.088 -12.634 1.00 0.00 C ATOM 0 H ALA A 13 -2.968 -23.552 -12.220 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.356 -23.911 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.009 -25.433 -12.881 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.487 -25.826 -12.001 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.569 -24.956 -13.551 1.00 0.00 H new ATOM 165 N GLN A 14 -0.896 -21.944 -13.501 1.00 0.00 N ATOM 166 CA GLN A 14 -0.297 -20.922 -14.350 1.00 0.00 C ATOM 167 C GLN A 14 0.326 -19.811 -13.510 1.00 0.00 C ATOM 168 O GLN A 14 1.303 -19.184 -13.919 1.00 0.00 O ATOM 169 CB GLN A 14 -1.346 -20.335 -15.296 1.00 0.00 C ATOM 170 CG GLN A 14 -0.779 -19.893 -16.634 1.00 0.00 C ATOM 171 CD GLN A 14 -0.429 -18.418 -16.660 1.00 0.00 C ATOM 172 OE1 GLN A 14 -0.243 -17.794 -15.615 1.00 0.00 O ATOM 173 NE2 GLN A 14 -0.338 -17.852 -17.857 1.00 0.00 N ATOM 0 H GLN A 14 -1.914 -21.991 -13.552 1.00 0.00 H new ATOM 0 HA GLN A 14 0.491 -21.392 -14.939 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.124 -21.079 -15.468 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.822 -19.482 -14.813 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.113 -20.478 -16.858 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.504 -20.104 -17.420 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.500 -18.407 -18.697 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.106 -16.862 -17.937 1.00 0.00 H new ATOM 182 N GLN A 15 -0.246 -19.572 -12.334 1.00 0.00 N ATOM 183 CA GLN A 15 0.254 -18.537 -11.438 1.00 0.00 C ATOM 184 C GLN A 15 1.142 -19.137 -10.353 1.00 0.00 C ATOM 185 O GLN A 15 1.188 -18.638 -9.228 1.00 0.00 O ATOM 186 CB GLN A 15 -0.912 -17.779 -10.797 1.00 0.00 C ATOM 187 CG GLN A 15 -1.722 -16.961 -11.789 1.00 0.00 C ATOM 188 CD GLN A 15 -2.627 -15.952 -11.109 1.00 0.00 C ATOM 189 OE1 GLN A 15 -2.822 -15.994 -9.894 1.00 0.00 O ATOM 190 NE2 GLN A 15 -3.185 -15.035 -11.892 1.00 0.00 N ATOM 0 H GLN A 15 -1.056 -20.081 -11.980 1.00 0.00 H new ATOM 0 HA GLN A 15 0.851 -17.841 -12.027 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.571 -18.493 -10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.523 -17.116 -10.024 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.044 -16.439 -12.464 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.326 -17.632 -12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.996 -15.037 -12.894 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.802 -14.329 -11.491 1.00 0.00 H new ATOM 199 N GLU A 16 1.845 -20.210 -10.698 1.00 0.00 N ATOM 200 CA GLU A 16 2.733 -20.880 -9.754 1.00 0.00 C ATOM 201 C GLU A 16 4.195 -20.666 -10.136 1.00 0.00 C ATOM 202 O GLU A 16 5.070 -20.615 -9.273 1.00 0.00 O ATOM 203 CB GLU A 16 2.419 -22.377 -9.701 1.00 0.00 C ATOM 204 CG GLU A 16 1.528 -22.772 -8.535 1.00 0.00 C ATOM 205 CD GLU A 16 1.606 -24.252 -8.216 1.00 0.00 C ATOM 206 OE1 GLU A 16 2.716 -24.818 -8.294 1.00 0.00 O ATOM 207 OE2 GLU A 16 0.556 -24.844 -7.890 1.00 0.00 O ATOM 0 H GLU A 16 1.817 -20.635 -11.625 1.00 0.00 H new ATOM 0 HA GLU A 16 2.568 -20.447 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.936 -22.671 -10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.354 -22.934 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.814 -22.199 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.496 -22.508 -8.766 1.00 0.00 H new ATOM 214 N ALA A 17 4.449 -20.541 -11.434 1.00 0.00 N ATOM 215 CA ALA A 17 5.803 -20.333 -11.930 1.00 0.00 C ATOM 216 C ALA A 17 5.857 -19.163 -12.907 1.00 0.00 C ATOM 217 O ALA A 17 6.744 -18.313 -12.826 1.00 0.00 O ATOM 218 CB ALA A 17 6.323 -21.600 -12.592 1.00 0.00 C ATOM 0 H ALA A 17 3.735 -20.580 -12.161 1.00 0.00 H new ATOM 0 HA ALA A 17 6.441 -20.092 -11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.336 -21.430 -12.958 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.331 -22.413 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.675 -21.866 -13.427 1.00 0.00 H new ATOM 224 N GLU A 18 4.903 -19.127 -13.832 1.00 0.00 N ATOM 225 CA GLU A 18 4.842 -18.061 -14.825 1.00 0.00 C ATOM 226 C GLU A 18 4.578 -16.713 -14.162 1.00 0.00 C ATOM 227 O GLU A 18 5.328 -15.756 -14.358 1.00 0.00 O ATOM 228 CB GLU A 18 3.751 -18.359 -15.856 1.00 0.00 C ATOM 229 CG GLU A 18 3.854 -19.746 -16.467 1.00 0.00 C ATOM 230 CD GLU A 18 5.170 -19.970 -17.186 1.00 0.00 C ATOM 231 OE1 GLU A 18 5.418 -19.283 -18.199 1.00 0.00 O ATOM 232 OE2 GLU A 18 5.952 -20.834 -16.737 1.00 0.00 O ATOM 0 H GLU A 18 4.162 -19.823 -13.914 1.00 0.00 H new ATOM 0 HA GLU A 18 5.807 -18.013 -15.330 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.776 -18.252 -15.382 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.802 -17.616 -16.652 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.741 -20.494 -15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.032 -19.892 -17.168 1.00 0.00 H new ATOM 239 N ALA A 19 3.509 -16.646 -13.376 1.00 0.00 N ATOM 240 CA ALA A 19 3.147 -15.415 -12.683 1.00 0.00 C ATOM 241 C ALA A 19 3.644 -15.431 -11.243 1.00 0.00 C ATOM 242 O ALA A 19 2.997 -14.890 -10.346 1.00 0.00 O ATOM 243 CB ALA A 19 1.640 -15.212 -12.722 1.00 0.00 C ATOM 0 H ALA A 19 2.879 -17.429 -13.203 1.00 0.00 H new ATOM 0 HA ALA A 19 3.628 -14.582 -13.196 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.384 -14.290 -12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.308 -15.148 -13.758 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.147 -16.053 -12.235 1.00 0.00 H new ATOM 249 N ALA A 20 4.798 -16.056 -11.026 1.00 0.00 N ATOM 250 CA ALA A 20 5.382 -16.142 -9.693 1.00 0.00 C ATOM 251 C ALA A 20 6.716 -15.407 -9.629 1.00 0.00 C ATOM 252 O ALA A 20 7.021 -14.739 -8.640 1.00 0.00 O ATOM 253 CB ALA A 20 5.560 -17.599 -9.290 1.00 0.00 C ATOM 0 H ALA A 20 5.346 -16.510 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 20 4.699 -15.662 -8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.997 -17.650 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.590 -18.097 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.220 -18.095 -10.001 1.00 0.00 H new ATOM 259 N GLN A 21 7.508 -15.533 -10.688 1.00 0.00 N ATOM 260 CA GLN A 21 8.810 -14.879 -10.750 1.00 0.00 C ATOM 261 C GLN A 21 8.782 -13.698 -11.715 1.00 0.00 C ATOM 262 O GLN A 21 9.451 -12.688 -11.497 1.00 0.00 O ATOM 263 CB GLN A 21 9.886 -15.878 -11.181 1.00 0.00 C ATOM 264 CG GLN A 21 10.387 -16.759 -10.048 1.00 0.00 C ATOM 265 CD GLN A 21 9.574 -18.028 -9.894 1.00 0.00 C ATOM 266 OE1 GLN A 21 8.972 -18.270 -8.847 1.00 0.00 O ATOM 267 NE2 GLN A 21 9.551 -18.849 -10.938 1.00 0.00 N ATOM 0 H GLN A 21 7.271 -16.082 -11.515 1.00 0.00 H new ATOM 0 HA GLN A 21 9.048 -14.505 -9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.486 -16.511 -11.973 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.728 -15.332 -11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.430 -17.020 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.356 -16.197 -9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.064 -18.610 -11.786 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.020 -19.719 -10.891 1.00 0.00 H new ATOM 276 N ARG A 22 8.002 -13.831 -12.783 1.00 0.00 N ATOM 277 CA ARG A 22 7.885 -12.775 -13.781 1.00 0.00 C ATOM 278 C ARG A 22 7.370 -11.483 -13.152 1.00 0.00 C ATOM 279 O ARG A 22 7.674 -10.387 -13.624 1.00 0.00 O ATOM 280 CB ARG A 22 6.952 -13.213 -14.912 1.00 0.00 C ATOM 281 CG ARG A 22 7.558 -14.265 -15.829 1.00 0.00 C ATOM 282 CD ARG A 22 7.610 -13.788 -17.271 1.00 0.00 C ATOM 283 NE ARG A 22 8.257 -14.763 -18.147 1.00 0.00 N ATOM 284 CZ ARG A 22 8.723 -14.475 -19.360 1.00 0.00 C ATOM 285 NH1 ARG A 22 8.615 -13.245 -19.846 1.00 0.00 N ATOM 286 NH2 ARG A 22 9.299 -15.422 -20.089 1.00 0.00 N ATOM 0 H ARG A 22 7.441 -14.660 -12.979 1.00 0.00 H new ATOM 0 HA ARG A 22 8.878 -12.587 -14.190 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.031 -13.606 -14.481 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.679 -12.340 -15.505 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.565 -14.508 -15.489 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.971 -15.182 -15.769 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.597 -13.597 -17.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.149 -12.842 -17.321 1.00 0.00 H new ATOM 0 HE ARG A 22 8.357 -15.720 -17.809 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.173 -12.514 -19.289 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.974 -13.031 -20.776 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.384 -16.369 -19.720 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.657 -15.203 -21.019 1.00 0.00 H new ATOM 300 N LEU A 23 6.588 -11.620 -12.087 1.00 0.00 N ATOM 301 CA LEU A 23 6.031 -10.462 -11.394 1.00 0.00 C ATOM 302 C LEU A 23 6.883 -10.090 -10.184 1.00 0.00 C ATOM 303 O LEU A 23 6.359 -9.718 -9.133 1.00 0.00 O ATOM 304 CB LEU A 23 4.594 -10.749 -10.951 1.00 0.00 C ATOM 305 CG LEU A 23 3.808 -9.526 -10.473 1.00 0.00 C ATOM 306 CD1 LEU A 23 2.895 -9.012 -11.576 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.003 -9.862 -9.226 1.00 0.00 C ATOM 0 H LEU A 23 6.325 -12.520 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 23 6.030 -9.621 -12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.057 -11.204 -11.783 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.618 -11.484 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 23 4.519 -8.739 -10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.345 -8.142 -11.217 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.494 -8.730 -12.442 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.192 -9.795 -11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.451 -8.980 -8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.303 -10.666 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.678 -10.180 -8.432 1.00 0.00 H new ATOM 319 N SER A 24 8.199 -10.192 -10.339 1.00 0.00 N ATOM 320 CA SER A 24 9.123 -9.865 -9.258 1.00 0.00 C ATOM 321 C SER A 24 9.530 -8.396 -9.314 1.00 0.00 C ATOM 322 O SER A 24 9.806 -7.779 -8.286 1.00 0.00 O ATOM 323 CB SER A 24 10.365 -10.754 -9.337 1.00 0.00 C ATOM 324 OG SER A 24 10.030 -12.118 -9.140 1.00 0.00 O ATOM 0 H SER A 24 8.650 -10.498 -11.201 1.00 0.00 H new ATOM 0 HA SER A 24 8.614 -10.045 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.843 -10.630 -10.309 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.088 -10.441 -8.584 1.00 0.00 H new ATOM 0 HG SER A 24 10.170 -12.613 -9.974 1.00 0.00 H new ATOM 330 N GLU A 25 9.565 -7.842 -10.522 1.00 0.00 N ATOM 331 CA GLU A 25 9.939 -6.446 -10.712 1.00 0.00 C ATOM 332 C GLU A 25 8.967 -5.520 -9.986 1.00 0.00 C ATOM 333 O GLU A 25 9.381 -4.612 -9.264 1.00 0.00 O ATOM 334 CB GLU A 25 9.975 -6.105 -12.204 1.00 0.00 C ATOM 335 CG GLU A 25 11.338 -5.638 -12.688 1.00 0.00 C ATOM 336 CD GLU A 25 11.580 -5.962 -14.150 1.00 0.00 C ATOM 337 OE1 GLU A 25 11.903 -7.130 -14.453 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.446 -5.048 -14.990 1.00 0.00 O ATOM 0 H GLU A 25 9.339 -8.339 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 25 10.934 -6.299 -10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.677 -6.983 -12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.240 -5.327 -12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.423 -4.562 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.114 -6.106 -12.083 1.00 0.00 H new ATOM 345 N GLU A 26 7.674 -5.755 -10.183 1.00 0.00 N ATOM 346 CA GLU A 26 6.644 -4.943 -9.547 1.00 0.00 C ATOM 347 C GLU A 26 6.706 -5.077 -8.029 1.00 0.00 C ATOM 348 O GLU A 26 6.448 -4.119 -7.300 1.00 0.00 O ATOM 349 CB GLU A 26 5.258 -5.352 -10.054 1.00 0.00 C ATOM 350 CG GLU A 26 4.690 -4.405 -11.098 1.00 0.00 C ATOM 351 CD GLU A 26 3.184 -4.266 -10.999 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.698 -3.827 -9.935 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.490 -4.595 -11.984 1.00 0.00 O ATOM 0 H GLU A 26 7.315 -6.501 -10.778 1.00 0.00 H new ATOM 0 HA GLU A 26 6.824 -3.900 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.316 -6.355 -10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.571 -5.403 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.150 -3.424 -10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.954 -4.766 -12.092 1.00 0.00 H new ATOM 360 N LYS A 27 7.048 -6.272 -7.559 1.00 0.00 N ATOM 361 CA LYS A 27 7.143 -6.531 -6.127 1.00 0.00 C ATOM 362 C LYS A 27 8.181 -5.622 -5.477 1.00 0.00 C ATOM 363 O LYS A 27 8.050 -5.249 -4.311 1.00 0.00 O ATOM 364 CB LYS A 27 7.504 -7.997 -5.876 1.00 0.00 C ATOM 365 CG LYS A 27 7.385 -8.412 -4.418 1.00 0.00 C ATOM 366 CD LYS A 27 7.359 -9.924 -4.270 1.00 0.00 C ATOM 367 CE LYS A 27 8.762 -10.495 -4.143 1.00 0.00 C ATOM 368 NZ LYS A 27 8.819 -11.619 -3.167 1.00 0.00 N ATOM 0 H LYS A 27 7.264 -7.076 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 27 6.171 -6.321 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.855 -8.631 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.525 -8.174 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.223 -8.004 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.476 -7.988 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.774 -10.195 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.861 -10.367 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.101 -10.844 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.447 -9.707 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.793 -11.980 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.520 -11.281 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.185 -12.382 -3.479 1.00 0.00 H new ATOM 382 N ALA A 28 9.212 -5.270 -6.238 1.00 0.00 N ATOM 383 CA ALA A 28 10.272 -4.405 -5.736 1.00 0.00 C ATOM 384 C ALA A 28 9.741 -3.011 -5.421 1.00 0.00 C ATOM 385 O ALA A 28 10.014 -2.457 -4.356 1.00 0.00 O ATOM 386 CB ALA A 28 11.409 -4.324 -6.744 1.00 0.00 C ATOM 0 H ALA A 28 9.336 -5.571 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 28 10.652 -4.838 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.194 -3.675 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.815 -5.321 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.034 -3.918 -7.684 1.00 0.00 H new ATOM 392 N GLN A 29 8.980 -2.447 -6.354 1.00 0.00 N ATOM 393 CA GLN A 29 8.410 -1.117 -6.176 1.00 0.00 C ATOM 394 C GLN A 29 7.301 -1.135 -5.128 1.00 0.00 C ATOM 395 O GLN A 29 7.267 -0.291 -4.233 1.00 0.00 O ATOM 396 CB GLN A 29 7.862 -0.593 -7.504 1.00 0.00 C ATOM 397 CG GLN A 29 8.918 -0.467 -8.590 1.00 0.00 C ATOM 398 CD GLN A 29 8.415 -0.913 -9.949 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.382 -0.445 -10.425 1.00 0.00 O ATOM 400 NE2 GLN A 29 9.146 -1.825 -10.579 1.00 0.00 N ATOM 0 H GLN A 29 8.744 -2.891 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 29 9.202 -0.453 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.074 -1.261 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.404 0.382 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.248 0.570 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.788 -1.063 -8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.996 -2.185 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.857 -2.165 -11.496 1.00 0.00 H new ATOM 409 N ALA A 30 6.399 -2.103 -5.245 1.00 0.00 N ATOM 410 CA ALA A 30 5.289 -2.231 -4.308 1.00 0.00 C ATOM 411 C ALA A 30 5.793 -2.433 -2.883 1.00 0.00 C ATOM 412 O ALA A 30 5.149 -2.016 -1.920 1.00 0.00 O ATOM 413 CB ALA A 30 4.384 -3.383 -4.716 1.00 0.00 C ATOM 0 H ALA A 30 6.415 -2.811 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 30 4.715 -1.304 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.560 -3.467 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.987 -3.198 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.955 -4.311 -4.719 1.00 0.00 H new ATOM 419 N SER A 31 6.950 -3.074 -2.756 1.00 0.00 N ATOM 420 CA SER A 31 7.542 -3.333 -1.448 1.00 0.00 C ATOM 421 C SER A 31 8.639 -2.320 -1.138 1.00 0.00 C ATOM 422 O SER A 31 9.675 -2.666 -0.570 1.00 0.00 O ATOM 423 CB SER A 31 8.110 -4.752 -1.395 1.00 0.00 C ATOM 424 OG SER A 31 7.944 -5.320 -0.107 1.00 0.00 O ATOM 0 H SER A 31 7.497 -3.424 -3.543 1.00 0.00 H new ATOM 0 HA SER A 31 6.760 -3.235 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.611 -5.375 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.169 -4.733 -1.654 1.00 0.00 H new ATOM 0 HG SER A 31 8.314 -6.228 -0.100 1.00 0.00 H new ATOM 430 N ALA A 32 8.404 -1.066 -1.514 1.00 0.00 N ATOM 431 CA ALA A 32 9.372 -0.003 -1.276 1.00 0.00 C ATOM 432 C ALA A 32 8.686 1.355 -1.179 1.00 0.00 C ATOM 433 O ALA A 32 9.262 2.379 -1.545 1.00 0.00 O ATOM 434 CB ALA A 32 10.422 0.010 -2.377 1.00 0.00 C ATOM 0 H ALA A 32 7.551 -0.762 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 32 9.863 -0.200 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.139 0.809 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.942 -0.948 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.938 0.178 -3.339 1.00 0.00 H new ATOM 440 N ILE A 33 7.452 1.355 -0.685 1.00 0.00 N ATOM 441 CA ILE A 33 6.688 2.589 -0.541 1.00 0.00 C ATOM 442 C ILE A 33 5.963 2.632 0.800 1.00 0.00 C ATOM 443 O ILE A 33 4.936 1.979 0.983 1.00 0.00 O ATOM 444 CB ILE A 33 5.656 2.748 -1.675 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.318 2.508 -3.033 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.022 4.130 -1.624 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.328 2.268 -4.153 1.00 0.00 C ATOM 0 H ILE A 33 6.960 0.516 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 33 7.402 3.411 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 33 4.870 2.005 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.937 3.369 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.984 1.648 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.296 4.227 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.520 4.265 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.795 4.890 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.867 2.105 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.726 1.389 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.678 3.137 -4.256 1.00 0.00 H new ATOM 459 N SER A 34 6.506 3.405 1.735 1.00 0.00 N ATOM 460 CA SER A 34 5.911 3.534 3.061 1.00 0.00 C ATOM 461 C SER A 34 4.520 4.152 2.976 1.00 0.00 C ATOM 462 O SER A 34 4.279 5.055 2.174 1.00 0.00 O ATOM 463 CB SER A 34 6.806 4.385 3.963 1.00 0.00 C ATOM 464 OG SER A 34 8.111 3.839 4.048 1.00 0.00 O ATOM 0 H SER A 34 7.357 3.951 1.599 1.00 0.00 H new ATOM 0 HA SER A 34 5.819 2.536 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.858 5.402 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.369 4.448 4.960 1.00 0.00 H new ATOM 0 HG SER A 34 8.664 4.402 4.629 1.00 0.00 H new ATOM 470 N VAL A 35 3.608 3.659 3.807 1.00 0.00 N ATOM 471 CA VAL A 35 2.240 4.163 3.826 1.00 0.00 C ATOM 472 C VAL A 35 2.134 5.432 4.664 1.00 0.00 C ATOM 473 O VAL A 35 2.546 5.460 5.824 1.00 0.00 O ATOM 474 CB VAL A 35 1.261 3.111 4.383 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.176 3.593 4.250 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.449 1.776 3.677 1.00 0.00 C ATOM 0 H VAL A 35 3.791 2.911 4.476 1.00 0.00 H new ATOM 0 HA VAL A 35 1.972 4.388 2.794 1.00 0.00 H new ATOM 0 HB VAL A 35 1.476 2.969 5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.852 2.836 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.301 4.521 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.406 3.767 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.749 1.047 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.264 1.900 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.469 1.424 3.830 1.00 0.00 H new ATOM 486 N GLY A 36 1.579 6.484 4.068 1.00 0.00 N ATOM 487 CA GLY A 36 1.429 7.743 4.775 1.00 0.00 C ATOM 488 C GLY A 36 2.373 8.813 4.261 1.00 0.00 C ATOM 489 O GLY A 36 2.758 9.716 5.003 1.00 0.00 O ATOM 0 H GLY A 36 1.231 6.487 3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.401 8.092 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.610 7.583 5.838 1.00 0.00 H new ATOM 493 N SER A 37 2.743 8.713 2.989 1.00 0.00 N ATOM 494 CA SER A 37 3.646 9.682 2.378 1.00 0.00 C ATOM 495 C SER A 37 3.051 10.244 1.090 1.00 0.00 C ATOM 496 O SER A 37 2.252 9.585 0.425 1.00 0.00 O ATOM 497 CB SER A 37 5.001 9.034 2.087 1.00 0.00 C ATOM 498 OG SER A 37 5.897 9.216 3.170 1.00 0.00 O ATOM 0 H SER A 37 2.432 7.972 2.361 1.00 0.00 H new ATOM 0 HA SER A 37 3.787 10.503 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.865 7.969 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.427 9.466 1.182 1.00 0.00 H new ATOM 0 HG SER A 37 6.755 8.791 2.960 1.00 0.00 H new ATOM 504 N ARG A 38 3.447 11.464 0.746 1.00 0.00 N ATOM 505 CA ARG A 38 2.953 12.115 -0.462 1.00 0.00 C ATOM 506 C ARG A 38 3.740 11.660 -1.687 1.00 0.00 C ATOM 507 O ARG A 38 4.949 11.873 -1.774 1.00 0.00 O ATOM 508 CB ARG A 38 3.042 13.636 -0.321 1.00 0.00 C ATOM 509 CG ARG A 38 2.418 14.164 0.960 1.00 0.00 C ATOM 510 CD ARG A 38 0.918 13.914 0.994 1.00 0.00 C ATOM 511 NE ARG A 38 0.394 13.913 2.358 1.00 0.00 N ATOM 512 CZ ARG A 38 0.138 15.018 3.053 1.00 0.00 C ATOM 513 NH1 ARG A 38 0.356 16.213 2.519 1.00 0.00 N ATOM 514 NH2 ARG A 38 -0.338 14.928 4.287 1.00 0.00 N ATOM 0 H ARG A 38 4.108 12.022 1.286 1.00 0.00 H new ATOM 0 HA ARG A 38 1.910 11.830 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.090 13.935 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.549 14.101 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.887 13.684 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.612 15.233 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.409 14.682 0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.699 12.957 0.521 1.00 0.00 H new ATOM 0 HE ARG A 38 0.214 13.013 2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.722 16.288 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.157 17.056 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.508 14.012 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.535 15.775 4.821 1.00 0.00 H new ATOM 528 N CYS A 39 3.046 11.032 -2.631 1.00 0.00 N ATOM 529 CA CYS A 39 3.680 10.546 -3.851 1.00 0.00 C ATOM 530 C CYS A 39 2.880 10.962 -5.082 1.00 0.00 C ATOM 531 O CYS A 39 1.653 11.048 -5.037 1.00 0.00 O ATOM 532 CB CYS A 39 3.819 9.024 -3.808 1.00 0.00 C ATOM 533 SG CYS A 39 4.491 8.390 -2.255 1.00 0.00 S ATOM 0 H CYS A 39 2.044 10.848 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 39 4.673 10.991 -3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.840 8.575 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.463 8.705 -4.628 1.00 0.00 H new ATOM 0 HG CYS A 39 4.569 7.094 -2.313 1.00 0.00 H new ATOM 539 N GLU A 40 3.584 11.216 -6.180 1.00 0.00 N ATOM 540 CA GLU A 40 2.939 11.622 -7.423 1.00 0.00 C ATOM 541 C GLU A 40 2.313 10.422 -8.128 1.00 0.00 C ATOM 542 O GLU A 40 2.568 9.274 -7.763 1.00 0.00 O ATOM 543 CB GLU A 40 3.950 12.302 -8.349 1.00 0.00 C ATOM 544 CG GLU A 40 4.657 13.487 -7.711 1.00 0.00 C ATOM 545 CD GLU A 40 6.167 13.388 -7.806 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.754 12.553 -7.086 1.00 0.00 O ATOM 547 OE2 GLU A 40 6.763 14.145 -8.601 1.00 0.00 O ATOM 0 H GLU A 40 4.600 11.148 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 40 2.148 12.331 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.695 11.570 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.437 12.638 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.326 14.406 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.367 13.557 -6.663 1.00 0.00 H new ATOM 554 N VAL A 41 1.495 10.696 -9.139 1.00 0.00 N ATOM 555 CA VAL A 41 0.833 9.639 -9.893 1.00 0.00 C ATOM 556 C VAL A 41 0.848 9.939 -11.388 1.00 0.00 C ATOM 557 O VAL A 41 0.427 11.013 -11.820 1.00 0.00 O ATOM 558 CB VAL A 41 -0.625 9.449 -9.435 1.00 0.00 C ATOM 559 CG1 VAL A 41 -1.243 8.228 -10.101 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.697 9.336 -7.920 1.00 0.00 C ATOM 0 H VAL A 41 1.275 11.641 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 41 1.388 8.721 -9.702 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.199 10.325 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.273 8.112 -9.764 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.228 8.357 -11.183 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.671 7.339 -9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.735 9.202 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.108 8.480 -7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.300 10.245 -7.468 1.00 0.00 H new ATOM 570 N ARG A 42 1.336 8.985 -12.175 1.00 0.00 N ATOM 571 CA ARG A 42 1.406 9.148 -13.622 1.00 0.00 C ATOM 572 C ARG A 42 0.736 7.977 -14.335 1.00 0.00 C ATOM 573 O ARG A 42 1.197 6.839 -14.249 1.00 0.00 O ATOM 574 CB ARG A 42 2.862 9.271 -14.075 1.00 0.00 C ATOM 575 CG ARG A 42 3.066 10.269 -15.204 1.00 0.00 C ATOM 576 CD ARG A 42 4.535 10.403 -15.570 1.00 0.00 C ATOM 577 NE ARG A 42 4.800 11.619 -16.334 1.00 0.00 N ATOM 578 CZ ARG A 42 5.894 11.811 -17.068 1.00 0.00 C ATOM 579 NH1 ARG A 42 6.829 10.871 -17.136 1.00 0.00 N ATOM 580 NH2 ARG A 42 6.054 12.946 -17.735 1.00 0.00 N ATOM 0 H ARG A 42 1.689 8.091 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 42 0.874 10.062 -13.884 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.475 9.568 -13.224 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.217 8.292 -14.398 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.499 9.951 -16.079 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.674 11.242 -14.907 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.136 10.408 -14.661 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.844 9.535 -16.152 1.00 0.00 H new ATOM 0 HE ARG A 42 4.106 12.366 -16.303 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.711 9.996 -16.624 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.665 11.023 -17.700 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.339 13.672 -17.686 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.892 13.093 -18.297 1.00 0.00 H new ATOM 594 N ALA A 43 -0.354 8.265 -15.040 1.00 0.00 N ATOM 595 CA ALA A 43 -1.086 7.237 -15.769 1.00 0.00 C ATOM 596 C ALA A 43 -1.926 7.849 -16.887 1.00 0.00 C ATOM 597 O ALA A 43 -2.252 9.035 -16.850 1.00 0.00 O ATOM 598 CB ALA A 43 -1.970 6.445 -14.817 1.00 0.00 C ATOM 0 H ALA A 43 -0.749 9.202 -15.121 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.361 6.562 -16.223 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.511 5.680 -15.374 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.351 5.970 -14.056 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.682 7.117 -14.338 1.00 0.00 H new ATOM 604 N PRO A 44 -2.287 7.044 -17.900 1.00 0.00 N ATOM 605 CA PRO A 44 -3.093 7.513 -19.031 1.00 0.00 C ATOM 606 C PRO A 44 -4.539 7.794 -18.635 1.00 0.00 C ATOM 607 O PRO A 44 -5.466 7.151 -19.127 1.00 0.00 O ATOM 608 CB PRO A 44 -3.025 6.348 -20.022 1.00 0.00 C ATOM 609 CG PRO A 44 -2.783 5.147 -19.176 1.00 0.00 C ATOM 610 CD PRO A 44 -1.941 5.615 -18.021 1.00 0.00 C ATOM 0 HA PRO A 44 -2.721 8.455 -19.434 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.952 6.254 -20.587 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.223 6.490 -20.746 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.723 4.721 -18.826 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.271 4.368 -19.741 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.172 5.067 -17.108 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.878 5.474 -18.216 1.00 0.00 H new ATOM 618 N ASP A 45 -4.724 8.759 -17.740 1.00 0.00 N ATOM 619 CA ASP A 45 -6.056 9.126 -17.274 1.00 0.00 C ATOM 620 C ASP A 45 -6.274 10.633 -17.380 1.00 0.00 C ATOM 621 O ASP A 45 -7.287 11.088 -17.911 1.00 0.00 O ATOM 622 CB ASP A 45 -6.258 8.666 -15.829 1.00 0.00 C ATOM 623 CG ASP A 45 -7.239 7.514 -15.720 1.00 0.00 C ATOM 624 OD1 ASP A 45 -6.837 6.364 -15.993 1.00 0.00 O ATOM 625 OD2 ASP A 45 -8.409 7.764 -15.361 1.00 0.00 O ATOM 0 H ASP A 45 -3.967 9.301 -17.323 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.788 8.628 -17.910 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.299 8.363 -15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.617 9.503 -15.231 1.00 0.00 H new ATOM 630 N HIS A 46 -5.318 11.402 -16.869 1.00 0.00 N ATOM 631 CA HIS A 46 -5.408 12.857 -16.905 1.00 0.00 C ATOM 632 C HIS A 46 -4.019 13.486 -16.954 1.00 0.00 C ATOM 633 O HIS A 46 -3.589 13.986 -17.995 1.00 0.00 O ATOM 634 CB HIS A 46 -6.175 13.371 -15.684 1.00 0.00 C ATOM 635 CG HIS A 46 -7.330 14.257 -16.031 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.615 14.029 -15.586 1.00 0.00 N ATOM 637 CD2 HIS A 46 -7.390 15.380 -16.787 1.00 0.00 C ATOM 638 CE1 HIS A 46 -9.415 14.972 -16.053 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.695 15.804 -16.783 1.00 0.00 N ATOM 0 H HIS A 46 -4.473 11.042 -16.426 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.947 13.143 -17.809 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.541 12.519 -15.110 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.489 13.919 -15.039 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.564 15.853 -17.298 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.476 15.049 -15.869 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.051 16.629 -17.266 1.00 0.00 H new ATOM 648 N SER A 47 -3.321 13.459 -15.824 1.00 0.00 N ATOM 649 CA SER A 47 -1.981 14.027 -15.738 1.00 0.00 C ATOM 650 C SER A 47 -1.338 13.703 -14.392 1.00 0.00 C ATOM 651 O SER A 47 -1.847 12.880 -13.632 1.00 0.00 O ATOM 652 CB SER A 47 -2.033 15.543 -15.945 1.00 0.00 C ATOM 653 OG SER A 47 -1.305 15.925 -17.099 1.00 0.00 O ATOM 0 H SER A 47 -3.662 13.049 -14.954 1.00 0.00 H new ATOM 0 HA SER A 47 -1.372 13.582 -16.525 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.070 15.865 -16.042 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.624 16.047 -15.069 1.00 0.00 H new ATOM 0 HG SER A 47 -1.355 16.897 -17.210 1.00 0.00 H new ATOM 659 N LEU A 48 -0.215 14.354 -14.106 1.00 0.00 N ATOM 660 CA LEU A 48 0.499 14.134 -12.854 1.00 0.00 C ATOM 661 C LEU A 48 -0.256 14.755 -11.681 1.00 0.00 C ATOM 662 O LEU A 48 -0.509 15.959 -11.660 1.00 0.00 O ATOM 663 CB LEU A 48 1.910 14.720 -12.937 1.00 0.00 C ATOM 664 CG LEU A 48 3.007 13.714 -13.293 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.307 14.435 -13.612 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.208 12.723 -12.157 1.00 0.00 C ATOM 0 H LEU A 48 0.220 15.038 -14.725 1.00 0.00 H new ATOM 0 HA LEU A 48 0.570 13.059 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.913 15.517 -13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.154 15.178 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 48 2.696 13.161 -14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.076 13.705 -13.863 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.153 15.105 -14.458 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.625 15.013 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.991 12.015 -12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.499 13.259 -11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.278 12.184 -11.976 1.00 0.00 H new ATOM 678 N ARG A 49 -0.610 13.923 -10.706 1.00 0.00 N ATOM 679 CA ARG A 49 -1.335 14.388 -9.528 1.00 0.00 C ATOM 680 C ARG A 49 -0.571 14.049 -8.252 1.00 0.00 C ATOM 681 O ARG A 49 0.268 13.149 -8.239 1.00 0.00 O ATOM 682 CB ARG A 49 -2.731 13.763 -9.483 1.00 0.00 C ATOM 683 CG ARG A 49 -3.478 13.847 -10.804 1.00 0.00 C ATOM 684 CD ARG A 49 -4.494 14.977 -10.800 1.00 0.00 C ATOM 685 NE ARG A 49 -4.931 15.324 -12.149 1.00 0.00 N ATOM 686 CZ ARG A 49 -4.230 16.092 -12.982 1.00 0.00 C ATOM 687 NH1 ARG A 49 -3.060 16.595 -12.606 1.00 0.00 N ATOM 688 NH2 ARG A 49 -4.700 16.358 -14.193 1.00 0.00 N ATOM 0 H ARG A 49 -0.407 12.923 -10.708 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.432 15.472 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.642 12.717 -9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.318 14.260 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.767 13.999 -11.616 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.985 12.902 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.358 14.686 -10.203 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.058 15.855 -10.323 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.826 14.957 -12.473 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.694 16.394 -11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.527 17.182 -13.248 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.598 15.975 -14.487 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.163 16.946 -14.831 1.00 0.00 H new ATOM 702 N ARG A 50 -0.870 14.775 -7.180 1.00 0.00 N ATOM 703 CA ARG A 50 -0.212 14.552 -5.897 1.00 0.00 C ATOM 704 C ARG A 50 -1.214 14.087 -4.844 1.00 0.00 C ATOM 705 O ARG A 50 -2.252 14.716 -4.642 1.00 0.00 O ATOM 706 CB ARG A 50 0.483 15.832 -5.426 1.00 0.00 C ATOM 707 CG ARG A 50 1.847 16.053 -6.062 1.00 0.00 C ATOM 708 CD ARG A 50 2.973 15.737 -5.091 1.00 0.00 C ATOM 709 NE ARG A 50 2.939 16.602 -3.914 1.00 0.00 N ATOM 710 CZ ARG A 50 3.357 17.866 -3.910 1.00 0.00 C ATOM 711 NH1 ARG A 50 3.839 18.416 -5.018 1.00 0.00 N ATOM 712 NH2 ARG A 50 3.291 18.582 -2.796 1.00 0.00 N ATOM 0 H ARG A 50 -1.564 15.523 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 50 0.535 13.770 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.156 16.686 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.598 15.796 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.942 15.425 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.931 17.088 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.900 14.696 -4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.931 15.851 -5.597 1.00 0.00 H new ATOM 0 HE ARG A 50 2.573 16.215 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.890 17.870 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.158 19.385 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.920 18.164 -1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.611 19.550 -2.792 1.00 0.00 H new ATOM 726 N GLY A 51 -0.895 12.982 -4.177 1.00 0.00 N ATOM 727 CA GLY A 51 -1.778 12.453 -3.154 1.00 0.00 C ATOM 728 C GLY A 51 -1.020 11.868 -1.979 1.00 0.00 C ATOM 729 O GLY A 51 -0.025 12.435 -1.526 1.00 0.00 O ATOM 0 H GLY A 51 -0.041 12.444 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.435 13.247 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.415 11.684 -3.591 1.00 0.00 H new ATOM 733 N THR A 52 -1.492 10.729 -1.482 1.00 0.00 N ATOM 734 CA THR A 52 -0.854 10.064 -0.351 1.00 0.00 C ATOM 735 C THR A 52 -1.092 8.559 -0.399 1.00 0.00 C ATOM 736 O THR A 52 -2.149 8.102 -0.835 1.00 0.00 O ATOM 737 CB THR A 52 -1.381 10.634 0.966 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.494 12.044 0.895 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.504 10.304 2.155 1.00 0.00 C ATOM 0 H THR A 52 -2.314 10.247 -1.845 1.00 0.00 H new ATOM 0 HA THR A 52 0.219 10.245 -0.414 1.00 0.00 H new ATOM 0 HB THR A 52 -2.355 10.167 1.112 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.679 12.403 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.935 10.738 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.438 9.222 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.493 10.714 1.996 1.00 0.00 H new ATOM 747 N VAL A 53 -0.104 7.792 0.050 1.00 0.00 N ATOM 748 CA VAL A 53 -0.207 6.338 0.058 1.00 0.00 C ATOM 749 C VAL A 53 -1.045 5.852 1.236 1.00 0.00 C ATOM 750 O VAL A 53 -0.821 6.255 2.377 1.00 0.00 O ATOM 751 CB VAL A 53 1.183 5.677 0.125 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.071 4.173 -0.067 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.115 6.287 -0.912 1.00 0.00 C ATOM 0 H VAL A 53 0.778 8.154 0.413 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.694 6.051 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 53 1.605 5.862 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.063 3.725 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.442 3.752 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.627 3.962 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.092 5.808 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.699 6.136 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.222 7.355 -0.722 1.00 0.00 H new ATOM 763 N MET A 54 -2.009 4.983 0.951 1.00 0.00 N ATOM 764 CA MET A 54 -2.881 4.441 1.987 1.00 0.00 C ATOM 765 C MET A 54 -2.762 2.922 2.056 1.00 0.00 C ATOM 766 O MET A 54 -2.690 2.343 3.141 1.00 0.00 O ATOM 767 CB MET A 54 -4.336 4.837 1.722 1.00 0.00 C ATOM 768 CG MET A 54 -4.502 6.275 1.260 1.00 0.00 C ATOM 769 SD MET A 54 -4.532 6.427 -0.537 1.00 0.00 S ATOM 770 CE MET A 54 -6.284 6.259 -0.863 1.00 0.00 C ATOM 0 H MET A 54 -2.206 4.639 0.011 1.00 0.00 H new ATOM 0 HA MET A 54 -2.568 4.858 2.944 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.753 4.171 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.916 4.688 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.427 6.680 1.671 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.685 6.877 1.658 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.473 5.305 -1.356 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.834 6.296 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.614 7.073 -1.509 1.00 0.00 H new ATOM 780 N TYR A 55 -2.744 2.282 0.892 1.00 0.00 N ATOM 781 CA TYR A 55 -2.634 0.830 0.820 1.00 0.00 C ATOM 782 C TYR A 55 -1.695 0.410 -0.307 1.00 0.00 C ATOM 783 O TYR A 55 -1.631 1.062 -1.349 1.00 0.00 O ATOM 784 CB TYR A 55 -4.012 0.202 0.610 1.00 0.00 C ATOM 785 CG TYR A 55 -4.114 -1.221 1.111 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.542 -2.270 0.402 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.781 -1.515 2.293 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.632 -3.572 0.857 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.874 -2.814 2.756 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.298 -3.838 2.034 1.00 0.00 C ATOM 791 OH TYR A 55 -4.389 -5.134 2.491 1.00 0.00 O ATOM 0 H TYR A 55 -2.804 2.746 -0.014 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.221 0.476 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.760 0.811 1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.252 0.222 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.018 -2.065 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.235 -0.715 2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.183 -4.376 0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.395 -3.026 3.678 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.889 -5.149 3.334 1.00 0.00 H new ATOM 801 N VAL A 56 -0.968 -0.681 -0.089 1.00 0.00 N ATOM 802 CA VAL A 56 -0.033 -1.187 -1.086 1.00 0.00 C ATOM 803 C VAL A 56 0.136 -2.697 -0.965 1.00 0.00 C ATOM 804 O VAL A 56 0.468 -3.212 0.104 1.00 0.00 O ATOM 805 CB VAL A 56 1.347 -0.516 -0.952 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.247 -0.907 -2.114 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.200 0.996 -0.866 1.00 0.00 C ATOM 0 H VAL A 56 -1.009 -1.231 0.769 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.453 -0.948 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 56 1.812 -0.865 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.217 -0.423 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.380 -1.989 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.790 -0.590 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.185 1.453 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.713 1.366 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.596 1.254 0.004 1.00 0.00 H new ATOM 817 N GLY A 57 -0.095 -3.404 -2.066 1.00 0.00 N ATOM 818 CA GLY A 57 0.036 -4.849 -2.060 1.00 0.00 C ATOM 819 C GLY A 57 -0.775 -5.511 -3.156 1.00 0.00 C ATOM 820 O GLY A 57 -0.982 -4.932 -4.221 1.00 0.00 O ATOM 0 H GLY A 57 -0.371 -3.002 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.086 -5.116 -2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.284 -5.235 -1.092 1.00 0.00 H new ATOM 824 N LEU A 58 -1.236 -6.730 -2.892 1.00 0.00 N ATOM 825 CA LEU A 58 -2.030 -7.474 -3.863 1.00 0.00 C ATOM 826 C LEU A 58 -3.504 -7.097 -3.766 1.00 0.00 C ATOM 827 O LEU A 58 -3.976 -6.662 -2.715 1.00 0.00 O ATOM 828 CB LEU A 58 -1.862 -8.979 -3.645 1.00 0.00 C ATOM 829 CG LEU A 58 -0.469 -9.528 -3.963 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.129 -10.686 -3.040 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.389 -9.961 -5.420 1.00 0.00 C ATOM 0 H LEU A 58 -1.073 -7.223 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.673 -7.215 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.098 -9.209 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.592 -9.504 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 58 0.261 -8.735 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.865 -11.063 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.146 -10.344 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.861 -11.483 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.608 -10.349 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.129 -10.739 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.589 -9.106 -6.065 1.00 0.00 H new ATOM 843 N THR A 59 -4.227 -7.265 -4.868 1.00 0.00 N ATOM 844 CA THR A 59 -5.649 -6.943 -4.907 1.00 0.00 C ATOM 845 C THR A 59 -6.451 -8.092 -5.507 1.00 0.00 C ATOM 846 O THR A 59 -5.901 -9.148 -5.823 1.00 0.00 O ATOM 847 CB THR A 59 -5.880 -5.667 -5.717 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.387 -5.813 -7.036 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.221 -4.446 -5.112 1.00 0.00 C ATOM 0 H THR A 59 -3.852 -7.622 -5.746 1.00 0.00 H new ATOM 0 HA THR A 59 -5.989 -6.783 -3.884 1.00 0.00 H new ATOM 0 HB THR A 59 -6.959 -5.516 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.070 -4.946 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.424 -3.576 -5.736 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.619 -4.276 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.144 -4.606 -5.052 1.00 0.00 H new ATOM 857 N ASP A 60 -7.754 -7.882 -5.661 1.00 0.00 N ATOM 858 CA ASP A 60 -8.633 -8.901 -6.222 1.00 0.00 C ATOM 859 C ASP A 60 -9.244 -8.430 -7.538 1.00 0.00 C ATOM 860 O ASP A 60 -9.378 -9.205 -8.485 1.00 0.00 O ATOM 861 CB ASP A 60 -9.742 -9.252 -5.228 1.00 0.00 C ATOM 862 CG ASP A 60 -9.202 -9.873 -3.954 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.887 -9.116 -3.012 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.093 -11.116 -3.900 1.00 0.00 O ATOM 0 H ASP A 60 -8.225 -7.014 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.035 -9.791 -6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.303 -8.351 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.442 -9.943 -5.698 1.00 0.00 H new ATOM 869 N PHE A 61 -9.616 -7.154 -7.589 1.00 0.00 N ATOM 870 CA PHE A 61 -10.215 -6.582 -8.790 1.00 0.00 C ATOM 871 C PHE A 61 -9.269 -6.697 -9.983 1.00 0.00 C ATOM 872 O PHE A 61 -9.708 -6.780 -11.129 1.00 0.00 O ATOM 873 CB PHE A 61 -10.583 -5.115 -8.555 1.00 0.00 C ATOM 874 CG PHE A 61 -9.412 -4.251 -8.184 1.00 0.00 C ATOM 875 CD1 PHE A 61 -9.014 -4.129 -6.862 1.00 0.00 C ATOM 876 CD2 PHE A 61 -8.710 -3.558 -9.158 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.937 -3.334 -6.518 1.00 0.00 C ATOM 878 CE2 PHE A 61 -7.632 -2.761 -8.820 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.246 -2.648 -7.498 1.00 0.00 C ATOM 0 H PHE A 61 -9.513 -6.498 -6.814 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.121 -7.145 -9.014 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.046 -4.717 -9.458 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.330 -5.059 -7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.552 -4.661 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.009 -3.642 -10.193 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.636 -3.249 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.092 -2.227 -9.588 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.406 -2.024 -7.231 1.00 0.00 H new ATOM 889 N LYS A 62 -7.969 -6.705 -9.705 1.00 0.00 N ATOM 890 CA LYS A 62 -6.964 -6.812 -10.756 1.00 0.00 C ATOM 891 C LYS A 62 -5.680 -7.443 -10.220 1.00 0.00 C ATOM 892 O LYS A 62 -5.332 -7.265 -9.053 1.00 0.00 O ATOM 893 CB LYS A 62 -6.664 -5.432 -11.348 1.00 0.00 C ATOM 894 CG LYS A 62 -7.104 -5.283 -12.795 1.00 0.00 C ATOM 895 CD LYS A 62 -6.141 -4.410 -13.583 1.00 0.00 C ATOM 896 CE LYS A 62 -6.346 -4.566 -15.081 1.00 0.00 C ATOM 897 NZ LYS A 62 -5.078 -4.374 -15.839 1.00 0.00 N ATOM 0 H LYS A 62 -7.587 -6.639 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.362 -7.455 -11.541 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.161 -4.671 -10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.593 -5.242 -11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.169 -6.267 -13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.103 -4.848 -12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.282 -3.366 -13.302 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.115 -4.674 -13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.748 -5.557 -15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.086 -3.843 -15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.261 -4.489 -16.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.707 -3.419 -15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.379 -5.080 -15.531 1.00 0.00 H new ATOM 911 N PRO A 63 -4.956 -8.191 -11.070 1.00 0.00 N ATOM 912 CA PRO A 63 -3.706 -8.848 -10.676 1.00 0.00 C ATOM 913 C PRO A 63 -2.567 -7.854 -10.479 1.00 0.00 C ATOM 914 O PRO A 63 -2.712 -6.664 -10.762 1.00 0.00 O ATOM 915 CB PRO A 63 -3.407 -9.776 -11.854 1.00 0.00 C ATOM 916 CG PRO A 63 -4.066 -9.128 -13.021 1.00 0.00 C ATOM 917 CD PRO A 63 -5.298 -8.455 -12.481 1.00 0.00 C ATOM 0 HA PRO A 63 -3.800 -9.366 -9.721 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.334 -9.881 -12.013 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.803 -10.777 -11.681 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.401 -8.404 -13.492 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.325 -9.865 -13.781 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.521 -7.534 -13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.176 -9.095 -12.568 1.00 0.00 H new ATOM 925 N GLY A 64 -1.434 -8.348 -9.993 1.00 0.00 N ATOM 926 CA GLY A 64 -0.286 -7.490 -9.767 1.00 0.00 C ATOM 927 C GLY A 64 -0.441 -6.626 -8.531 1.00 0.00 C ATOM 928 O GLY A 64 -1.489 -6.637 -7.886 1.00 0.00 O ATOM 0 H GLY A 64 -1.290 -9.328 -9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.609 -8.105 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.138 -6.850 -10.637 1.00 0.00 H new ATOM 932 N TYR A 65 0.605 -5.876 -8.201 1.00 0.00 N ATOM 933 CA TYR A 65 0.582 -5.002 -7.034 1.00 0.00 C ATOM 934 C TYR A 65 -0.130 -3.691 -7.350 1.00 0.00 C ATOM 935 O TYR A 65 -0.327 -3.345 -8.515 1.00 0.00 O ATOM 936 CB TYR A 65 2.007 -4.718 -6.555 1.00 0.00 C ATOM 937 CG TYR A 65 2.680 -5.911 -5.913 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.460 -6.222 -4.578 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.536 -6.725 -6.645 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.074 -7.310 -3.988 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.155 -7.815 -6.061 1.00 0.00 C ATOM 942 CZ TYR A 65 3.920 -8.103 -4.734 1.00 0.00 C ATOM 943 OH TYR A 65 4.533 -9.189 -4.150 1.00 0.00 O ATOM 0 H TYR A 65 1.480 -5.856 -8.725 1.00 0.00 H new ATOM 0 HA TYR A 65 0.034 -5.511 -6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.607 -4.386 -7.402 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.984 -3.896 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.798 -5.603 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.721 -6.503 -7.686 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.892 -7.538 -2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.819 -8.437 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 65 4.682 -9.883 -4.826 1.00 0.00 H new ATOM 953 N TRP A 66 -0.515 -2.965 -6.305 1.00 0.00 N ATOM 954 CA TRP A 66 -1.206 -1.691 -6.472 1.00 0.00 C ATOM 955 C TRP A 66 -0.816 -0.712 -5.368 1.00 0.00 C ATOM 956 O TRP A 66 -0.270 -1.109 -4.338 1.00 0.00 O ATOM 957 CB TRP A 66 -2.721 -1.904 -6.468 1.00 0.00 C ATOM 958 CG TRP A 66 -3.236 -2.526 -7.730 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.504 -3.849 -7.942 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.548 -1.852 -8.954 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.961 -4.038 -9.222 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.998 -2.828 -9.865 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.490 -0.519 -9.370 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.388 -2.511 -11.163 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -3.878 -0.206 -10.659 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.322 -1.199 -11.542 1.00 0.00 C ATOM 0 H TRP A 66 -0.360 -3.237 -5.334 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.908 -1.268 -7.431 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.989 -2.538 -5.623 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.215 -0.944 -6.316 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.375 -4.632 -7.209 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.230 -4.934 -9.629 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.148 0.253 -8.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.730 -3.274 -11.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.838 0.821 -10.991 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.618 -0.922 -12.543 1.00 0.00 H new ATOM 977 N VAL A 67 -1.099 0.567 -5.590 1.00 0.00 N ATOM 978 CA VAL A 67 -0.777 1.601 -4.614 1.00 0.00 C ATOM 979 C VAL A 67 -1.880 2.653 -4.544 1.00 0.00 C ATOM 980 O VAL A 67 -2.061 3.440 -5.473 1.00 0.00 O ATOM 981 CB VAL A 67 0.556 2.296 -4.949 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.975 3.222 -3.818 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.639 1.265 -5.234 1.00 0.00 C ATOM 0 H VAL A 67 -1.551 0.912 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.687 1.105 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 67 0.415 2.898 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.919 3.704 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.209 3.982 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.098 2.645 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.574 1.774 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.780 0.634 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.340 0.648 -6.081 1.00 0.00 H new ATOM 993 N GLY A 68 -2.615 2.659 -3.437 1.00 0.00 N ATOM 994 CA GLY A 68 -3.690 3.618 -3.267 1.00 0.00 C ATOM 995 C GLY A 68 -3.179 5.031 -3.056 1.00 0.00 C ATOM 996 O GLY A 68 -2.351 5.273 -2.178 1.00 0.00 O ATOM 0 H GLY A 68 -2.485 2.017 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.335 3.596 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.302 3.325 -2.414 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.675 5.963 -3.863 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.264 7.358 -3.761 1.00 0.00 C ATOM 1002 C VAL A 69 -4.458 8.267 -3.490 1.00 0.00 C ATOM 1003 O VAL A 69 -5.344 8.411 -4.332 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.556 7.830 -5.045 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.953 9.212 -4.846 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.490 6.830 -5.466 1.00 0.00 C ATOM 0 H VAL A 69 -4.362 5.778 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.567 7.421 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.296 7.894 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.457 9.528 -5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.743 9.921 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.226 9.178 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.001 7.181 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.751 6.730 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.954 5.862 -5.654 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.476 8.875 -2.309 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.563 9.770 -1.926 1.00 0.00 C ATOM 1018 C ARG A 70 -5.243 11.210 -2.313 1.00 0.00 C ATOM 1019 O ARG A 70 -4.401 11.858 -1.691 1.00 0.00 O ATOM 1020 CB ARG A 70 -5.821 9.677 -0.420 1.00 0.00 C ATOM 1021 CG ARG A 70 -6.950 10.573 0.062 1.00 0.00 C ATOM 1022 CD ARG A 70 -6.628 11.197 1.411 1.00 0.00 C ATOM 1023 NE ARG A 70 -5.613 12.243 1.300 1.00 0.00 N ATOM 1024 CZ ARG A 70 -4.888 12.684 2.325 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -5.062 12.176 3.539 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -3.985 13.638 2.137 1.00 0.00 N ATOM 0 H ARG A 70 -3.751 8.765 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.461 9.461 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.054 8.644 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.907 9.940 0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.130 11.360 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.869 9.993 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.536 11.617 1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.279 10.423 2.095 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.451 12.659 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.755 11.443 3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.503 12.519 4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.847 14.033 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.429 13.976 2.923 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.921 11.705 -3.344 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.710 13.069 -3.813 1.00 0.00 C ATOM 1042 C TYR A 71 -6.472 14.068 -2.950 1.00 0.00 C ATOM 1043 O TYR A 71 -7.406 13.701 -2.236 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.148 13.202 -5.273 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.458 12.231 -6.204 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.072 12.140 -6.243 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.193 11.403 -7.045 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.439 11.254 -7.092 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.566 10.514 -7.896 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.189 10.443 -7.916 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.562 9.559 -8.764 1.00 0.00 O ATOM 0 H TYR A 71 -6.621 11.182 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.645 13.290 -3.737 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.225 13.049 -5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.951 14.219 -5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.480 12.773 -5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.272 11.456 -7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.361 11.197 -7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.151 9.877 -8.543 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.990 8.680 -8.695 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.069 15.333 -3.019 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.714 16.385 -2.243 1.00 0.00 C ATOM 1063 C ASP A 72 -7.931 16.934 -2.980 1.00 0.00 C ATOM 1064 O ASP A 72 -8.910 17.350 -2.359 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.725 17.515 -1.954 1.00 0.00 C ATOM 1066 CG ASP A 72 -4.731 17.150 -0.870 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -4.056 16.110 -1.010 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -4.627 17.907 0.118 1.00 0.00 O ATOM 0 H ASP A 72 -5.298 15.654 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.047 15.954 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.186 17.765 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.275 18.407 -1.654 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.864 16.933 -4.308 1.00 0.00 N ATOM 1074 CA GLU A 73 -8.961 17.430 -5.129 1.00 0.00 C ATOM 1075 C GLU A 73 -9.772 16.276 -5.713 1.00 0.00 C ATOM 1076 O GLU A 73 -9.317 15.133 -5.728 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.420 18.312 -6.257 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.434 19.797 -5.929 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.536 20.666 -7.167 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -7.628 20.593 -8.020 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -9.525 21.420 -7.281 1.00 0.00 O ATOM 0 H GLU A 73 -7.061 16.593 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.617 18.025 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.398 18.009 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.012 18.141 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.274 20.012 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.526 20.053 -5.383 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.989 16.563 -6.204 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.865 15.542 -6.790 1.00 0.00 C ATOM 1090 C PRO A 74 -11.340 15.030 -8.127 1.00 0.00 C ATOM 1091 O PRO A 74 -11.830 15.418 -9.188 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.192 16.279 -6.982 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.813 17.714 -7.107 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.609 17.901 -6.225 1.00 0.00 C ATOM 0 HA PRO A 74 -11.943 14.658 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.714 15.928 -7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.860 16.118 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.583 17.968 -8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.631 18.363 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.929 18.652 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.891 18.229 -5.224 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.339 14.158 -8.069 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.747 13.593 -9.275 1.00 0.00 C ATOM 1104 C LEU A 75 -9.375 12.128 -9.065 1.00 0.00 C ATOM 1105 O LEU A 75 -8.362 11.655 -9.581 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.508 14.392 -9.683 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.713 15.905 -9.773 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -7.378 16.630 -9.720 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -9.468 16.264 -11.044 1.00 0.00 C ATOM 0 H LEU A 75 -9.921 13.827 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.487 13.650 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.712 14.191 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.163 14.029 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.308 16.224 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.545 17.705 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.875 16.397 -8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.756 16.308 -10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.606 17.344 -11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.898 15.931 -11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.442 15.774 -11.039 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.200 11.416 -8.306 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.942 10.013 -8.042 1.00 0.00 C ATOM 1123 C GLY A 76 -10.821 9.096 -8.868 1.00 0.00 C ATOM 1124 O GLY A 76 -11.425 9.524 -9.851 1.00 0.00 O ATOM 0 H GLY A 76 -11.044 11.786 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.895 9.794 -8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.104 9.810 -6.983 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.891 7.830 -8.469 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.702 6.849 -9.180 1.00 0.00 C ATOM 1130 C LYS A 77 -12.505 5.996 -8.203 1.00 0.00 C ATOM 1131 O LYS A 77 -13.733 6.068 -8.165 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.814 5.953 -10.046 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.013 6.717 -11.088 1.00 0.00 C ATOM 1134 CD LYS A 77 -8.654 6.076 -11.326 1.00 0.00 C ATOM 1135 CE LYS A 77 -8.026 6.564 -12.622 1.00 0.00 C ATOM 1136 NZ LYS A 77 -6.612 6.989 -12.426 1.00 0.00 N ATOM 0 H LYS A 77 -10.396 7.460 -7.658 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.399 7.388 -9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.127 5.405 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.438 5.214 -10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.570 6.750 -12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.878 7.748 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.992 6.305 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.763 4.992 -11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.067 5.770 -13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.606 7.399 -13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.110 6.957 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.590 7.959 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.147 6.348 -11.752 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.803 5.189 -7.414 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.451 4.323 -6.436 1.00 0.00 C ATOM 1152 C ASN A 78 -12.940 5.129 -5.236 1.00 0.00 C ATOM 1153 O ASN A 78 -12.861 6.357 -5.228 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.486 3.230 -5.972 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.935 2.419 -7.128 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.487 1.381 -7.492 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -9.838 2.889 -7.712 1.00 0.00 N ATOM 0 H ASN A 78 -10.786 5.117 -7.433 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.313 3.857 -6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.661 3.686 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.000 2.566 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.421 2.385 -8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.413 3.754 -7.378 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.446 4.429 -4.226 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.947 5.081 -3.021 1.00 0.00 C ATOM 1166 C ASP A 79 -13.455 4.367 -1.766 1.00 0.00 C ATOM 1167 O ASP A 79 -14.097 4.425 -0.716 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.476 5.117 -3.036 1.00 0.00 C ATOM 1169 CG ASP A 79 -16.087 3.729 -3.057 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.827 2.951 -2.114 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.826 3.420 -4.015 1.00 0.00 O ATOM 0 H ASP A 79 -13.520 3.412 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.565 6.102 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.833 5.655 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.815 5.673 -3.910 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.314 3.693 -1.878 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.760 2.981 -0.743 1.00 0.00 C ATOM 1178 C GLY A 80 -12.148 1.514 -0.728 1.00 0.00 C ATOM 1179 O GLY A 80 -11.375 0.666 -0.283 1.00 0.00 O ATOM 0 H GLY A 80 -11.764 3.628 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.673 3.065 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.101 3.453 0.179 1.00 0.00 H new ATOM 1183 N SER A 81 -13.348 1.216 -1.214 1.00 0.00 N ATOM 1184 CA SER A 81 -13.836 -0.158 -1.253 1.00 0.00 C ATOM 1185 C SER A 81 -14.090 -0.605 -2.689 1.00 0.00 C ATOM 1186 O SER A 81 -14.717 0.110 -3.471 1.00 0.00 O ATOM 1187 CB SER A 81 -15.121 -0.288 -0.432 1.00 0.00 C ATOM 1188 OG SER A 81 -14.830 -0.519 0.935 1.00 0.00 O ATOM 0 H SER A 81 -14.000 1.906 -1.586 1.00 0.00 H new ATOM 0 HA SER A 81 -13.070 -0.802 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.714 0.621 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.725 -1.107 -0.822 1.00 0.00 H new ATOM 0 HG SER A 81 -14.708 0.339 1.393 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.602 -1.794 -3.028 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.777 -2.338 -4.369 1.00 0.00 C ATOM 1196 C VAL A 82 -14.078 -3.832 -4.320 1.00 0.00 C ATOM 1197 O VAL A 82 -13.248 -4.627 -3.877 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.528 -2.107 -5.241 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.815 -2.463 -6.691 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.051 -0.667 -5.121 1.00 0.00 C ATOM 0 H VAL A 82 -13.082 -2.399 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.622 -1.812 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.732 -2.760 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.921 -2.293 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.103 -3.512 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.627 -1.839 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.168 -0.523 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.842 0.007 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.801 -0.452 -4.082 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.267 -4.206 -4.777 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.679 -5.606 -4.787 1.00 0.00 C ATOM 1212 C ASN A 83 -15.720 -6.171 -3.370 1.00 0.00 C ATOM 1213 O ASN A 83 -15.531 -7.369 -3.163 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.726 -6.433 -5.651 1.00 0.00 C ATOM 1215 CG ASN A 83 -15.133 -6.442 -7.111 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -15.498 -5.275 -7.629 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -15.119 -7.484 -7.765 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.964 -3.559 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.682 -5.661 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.717 -6.032 -5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.697 -7.457 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.831 -8.358 -7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.395 -7.474 -8.747 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.968 -5.298 -2.400 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.030 -5.727 -1.014 1.00 0.00 C ATOM 1226 C GLY A 84 -14.711 -5.544 -0.288 1.00 0.00 C ATOM 1227 O GLY A 84 -14.687 -5.343 0.926 1.00 0.00 O ATOM 0 H GLY A 84 -16.127 -4.301 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.806 -5.163 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.319 -6.777 -0.975 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.612 -5.616 -1.032 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.284 -5.459 -0.450 1.00 0.00 C ATOM 1233 C LYS A 85 -12.017 -4.000 -0.091 1.00 0.00 C ATOM 1234 O LYS A 85 -12.096 -3.115 -0.942 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.216 -5.965 -1.424 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.369 -7.095 -0.862 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.037 -6.584 -0.335 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.595 -7.352 0.900 1.00 0.00 C ATOM 1239 NZ LYS A 85 -7.403 -6.732 1.544 1.00 0.00 N ATOM 0 H LYS A 85 -13.615 -5.782 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.240 -6.051 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.702 -6.306 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.565 -5.136 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.912 -7.594 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.193 -7.840 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.278 -6.675 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.122 -5.524 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.416 -7.390 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.364 -8.381 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.134 -7.286 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.612 -6.718 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.630 -5.759 1.831 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.699 -3.758 1.177 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.420 -2.407 1.651 1.00 0.00 C ATOM 1255 C ARG A 86 -9.917 -2.166 1.751 1.00 0.00 C ATOM 1256 O ARG A 86 -9.140 -3.101 1.945 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.077 -2.175 3.012 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.558 -0.748 3.219 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.563 -0.369 4.691 1.00 0.00 C ATOM 1260 NE ARG A 86 -13.759 -0.851 5.378 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.128 -0.453 6.593 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -13.397 0.433 7.260 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -15.231 -0.941 7.144 1.00 0.00 N ATOM 0 H ARG A 86 -11.628 -4.480 1.894 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.836 -1.703 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.923 -2.854 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.365 -2.427 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.914 -0.063 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.563 -0.639 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.677 -0.781 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.503 0.715 4.786 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.346 -1.533 4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.548 0.812 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.685 0.734 8.191 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.797 -1.621 6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.514 -0.636 8.075 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.514 -0.906 1.619 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.104 -0.542 1.695 1.00 0.00 C ATOM 1279 C TYR A 87 -7.904 0.686 2.576 1.00 0.00 C ATOM 1280 O TYR A 87 -7.047 0.697 3.459 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.547 -0.277 0.295 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.831 -1.387 -0.691 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -9.078 -1.508 -1.291 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.851 -2.315 -1.022 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.341 -2.520 -2.193 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -7.107 -3.332 -1.923 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.353 -3.430 -2.505 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.611 -4.441 -3.403 1.00 0.00 O ATOM 0 H TYR A 87 -10.144 -0.120 1.459 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.564 -1.377 2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.971 0.652 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.469 -0.131 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.855 -0.798 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.874 -2.241 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.316 -2.598 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.335 -4.046 -2.170 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.755 -4.058 -4.294 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.700 1.721 2.329 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.611 2.955 3.100 1.00 0.00 C ATOM 1300 C PHE A 88 -9.998 3.532 3.370 1.00 0.00 C ATOM 1301 O PHE A 88 -11.010 2.935 3.005 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.756 3.984 2.357 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.263 4.304 0.979 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -7.908 3.518 -0.105 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -9.096 5.392 0.770 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -8.374 3.811 -1.372 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -9.564 5.690 -0.495 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.203 4.898 -1.568 1.00 0.00 C ATOM 0 H PHE A 88 -9.414 1.729 1.601 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.142 2.722 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.716 4.902 2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.735 3.610 2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.260 2.667 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.382 6.014 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.090 3.190 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.211 6.541 -0.645 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.568 5.128 -2.558 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.033 4.696 4.012 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.296 5.353 4.331 1.00 0.00 C ATOM 1320 C GLU A 89 -11.300 6.794 3.831 1.00 0.00 C ATOM 1321 O GLU A 89 -10.805 7.697 4.505 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.542 5.325 5.841 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.265 3.972 6.478 1.00 0.00 C ATOM 1324 CD GLU A 89 -9.971 3.954 7.268 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -9.972 4.444 8.418 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -8.959 3.450 6.740 1.00 0.00 O ATOM 0 H GLU A 89 -9.203 5.203 4.321 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.097 4.810 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.913 6.077 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.577 5.605 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.092 3.708 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.222 3.210 5.700 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.861 7.001 2.645 1.00 0.00 N ATOM 1334 CA CYS A 90 -11.930 8.333 2.054 1.00 0.00 C ATOM 1335 C CYS A 90 -13.108 8.442 1.093 1.00 0.00 C ATOM 1336 O CYS A 90 -13.677 7.433 0.676 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.627 8.657 1.320 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.301 10.426 1.139 1.00 0.00 S ATOM 0 H CYS A 90 -12.275 6.264 2.074 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.074 9.053 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.797 8.199 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.657 8.201 0.330 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.010 10.689 -0.100 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.473 9.672 0.746 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.585 9.912 -0.166 1.00 0.00 C ATOM 1346 C GLN A 91 -14.337 9.244 -1.515 1.00 0.00 C ATOM 1347 O GLN A 91 -13.222 8.815 -1.811 1.00 0.00 O ATOM 1348 CB GLN A 91 -14.799 11.416 -0.357 1.00 0.00 C ATOM 1349 CG GLN A 91 -15.945 11.976 0.472 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.076 12.514 -0.382 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.986 11.778 -0.764 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.024 13.806 -0.687 1.00 0.00 N ATOM 0 H GLN A 91 -13.014 10.518 1.083 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.483 9.478 0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.881 11.942 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -14.992 11.617 -1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -16.330 11.195 1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -15.569 12.773 1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -16.251 14.379 -0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -17.757 14.225 -1.259 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.385 9.159 -2.328 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.281 8.543 -3.646 1.00 0.00 C ATOM 1363 C ALA A 92 -14.745 9.532 -4.674 1.00 0.00 C ATOM 1364 O ALA A 92 -14.843 10.746 -4.493 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.635 8.005 -4.084 1.00 0.00 C ATOM 0 H ALA A 92 -16.315 9.509 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.577 7.714 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.543 7.548 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.979 7.258 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.354 8.823 -4.129 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.177 9.005 -5.754 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.625 9.842 -6.813 1.00 0.00 C ATOM 1373 C LYS A 93 -12.497 10.721 -6.281 1.00 0.00 C ATOM 1374 O LYS A 93 -12.295 11.840 -6.750 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.721 10.715 -7.427 1.00 0.00 C ATOM 1376 CG LYS A 93 -16.009 9.959 -7.715 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.200 10.591 -7.011 1.00 0.00 C ATOM 1378 CE LYS A 93 -18.207 9.542 -6.567 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.380 9.476 -7.481 1.00 0.00 N ATOM 0 H LYS A 93 -14.087 8.002 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.218 9.187 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.938 11.542 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.350 11.151 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.189 9.942 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.903 8.923 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.854 11.155 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.685 11.301 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.722 8.567 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.547 9.770 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.043 8.749 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.859 10.399 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.059 9.234 -8.440 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.766 10.204 -5.299 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.657 10.940 -4.703 1.00 0.00 C ATOM 1395 C TYR A 94 -9.412 10.065 -4.610 1.00 0.00 C ATOM 1396 O TYR A 94 -8.331 10.457 -5.050 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.043 11.449 -3.314 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.821 12.745 -3.337 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.186 13.954 -3.595 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.189 12.760 -3.101 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.894 15.140 -3.617 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.904 13.943 -3.121 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.252 15.130 -3.380 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.960 16.309 -3.402 1.00 0.00 O ATOM 0 H TYR A 94 -11.921 9.279 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.433 11.792 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.638 10.687 -2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.138 11.589 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.122 13.967 -3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.703 11.832 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.386 16.071 -3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.968 13.937 -2.935 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.905 16.127 -3.217 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.571 8.878 -4.034 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.452 7.965 -3.894 1.00 0.00 C ATOM 1416 C GLY A 95 -8.368 6.972 -5.037 1.00 0.00 C ATOM 1417 O GLY A 95 -9.082 5.969 -5.050 1.00 0.00 O ATOM 0 H GLY A 95 -10.455 8.532 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.525 8.536 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.544 7.424 -2.952 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.494 7.252 -5.998 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.319 6.376 -7.150 1.00 0.00 C ATOM 1423 C ALA A 96 -6.343 5.247 -6.839 1.00 0.00 C ATOM 1424 O ALA A 96 -5.510 5.364 -5.939 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.839 7.176 -8.352 1.00 0.00 C ATOM 0 H ALA A 96 -6.896 8.078 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.285 5.930 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.712 6.510 -9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.574 7.943 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.886 7.650 -8.117 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.451 4.154 -7.587 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.577 3.004 -7.389 1.00 0.00 C ATOM 1433 C PHE A 97 -4.613 2.845 -8.561 1.00 0.00 C ATOM 1434 O PHE A 97 -4.986 2.346 -9.622 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.407 1.730 -7.220 1.00 0.00 C ATOM 1436 CG PHE A 97 -6.791 1.450 -5.795 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -5.823 1.368 -4.807 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.119 1.269 -5.444 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.173 1.110 -3.494 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -8.475 1.011 -4.134 1.00 0.00 C ATOM 1441 CZ PHE A 97 -7.501 0.932 -3.158 1.00 0.00 C ATOM 0 H PHE A 97 -7.135 4.041 -8.335 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.995 3.173 -6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.312 1.813 -7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.842 0.883 -7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.784 1.507 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.885 1.330 -6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.409 1.048 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.514 0.871 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.777 0.731 -2.133 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.370 3.272 -8.360 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.352 3.177 -9.398 1.00 0.00 C ATOM 1453 C VAL A 98 -1.311 2.117 -9.052 1.00 0.00 C ATOM 1454 O VAL A 98 -1.393 1.471 -8.006 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.641 4.526 -9.614 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.538 5.487 -10.379 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.218 5.126 -8.281 1.00 0.00 C ATOM 0 H VAL A 98 -3.044 3.687 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.864 2.894 -10.317 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.744 4.352 -10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.018 6.434 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.785 5.059 -11.350 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.454 5.657 -9.814 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.717 6.079 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.098 5.286 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.535 4.444 -7.775 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.334 1.942 -9.935 1.00 0.00 N ATOM 1468 CA LYS A 99 0.721 0.958 -9.723 1.00 0.00 C ATOM 1469 C LYS A 99 2.012 1.633 -9.261 1.00 0.00 C ATOM 1470 O LYS A 99 2.256 2.799 -9.567 1.00 0.00 O ATOM 1471 CB LYS A 99 0.977 0.168 -11.007 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.288 -0.387 -11.641 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.807 -1.596 -10.880 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.123 -2.876 -11.334 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.070 -4.024 -11.380 1.00 0.00 N ATOM 0 H LYS A 99 -0.251 2.469 -10.804 1.00 0.00 H new ATOM 0 HA LYS A 99 0.391 0.272 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.481 0.813 -11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.656 -0.656 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.055 0.387 -11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.086 -0.666 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.642 -1.453 -9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.883 -1.685 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.312 -2.725 -12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.698 -3.109 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.715 -4.791 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.004 -3.718 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.154 -4.366 -12.359 1.00 0.00 H new ATOM 1489 N PRO A 100 2.857 0.900 -8.510 1.00 0.00 N ATOM 1490 CA PRO A 100 4.127 1.430 -8.009 1.00 0.00 C ATOM 1491 C PRO A 100 4.885 2.170 -9.100 1.00 0.00 C ATOM 1492 O PRO A 100 5.252 3.334 -8.939 1.00 0.00 O ATOM 1493 CB PRO A 100 4.883 0.175 -7.578 1.00 0.00 C ATOM 1494 CG PRO A 100 3.816 -0.792 -7.197 1.00 0.00 C ATOM 1495 CD PRO A 100 2.643 -0.501 -8.098 1.00 0.00 C ATOM 0 HA PRO A 100 3.996 2.152 -7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.500 -0.214 -8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.549 0.381 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.158 -1.819 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.540 -0.674 -6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.622 -1.172 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.695 -0.624 -7.574 1.00 0.00 H new ATOM 1503 N SER A 101 5.092 1.489 -10.223 1.00 0.00 N ATOM 1504 CA SER A 101 5.779 2.087 -11.356 1.00 0.00 C ATOM 1505 C SER A 101 5.062 3.364 -11.777 1.00 0.00 C ATOM 1506 O SER A 101 5.660 4.258 -12.376 1.00 0.00 O ATOM 1507 CB SER A 101 5.838 1.105 -12.528 1.00 0.00 C ATOM 1508 OG SER A 101 4.611 1.081 -13.236 1.00 0.00 O ATOM 0 H SER A 101 4.793 0.525 -10.370 1.00 0.00 H new ATOM 0 HA SER A 101 6.799 2.330 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.645 1.388 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.067 0.106 -12.158 1.00 0.00 H new ATOM 0 HG SER A 101 4.675 0.447 -13.981 1.00 0.00 H new ATOM 1514 N ALA A 102 3.775 3.447 -11.439 1.00 0.00 N ATOM 1515 CA ALA A 102 2.977 4.619 -11.762 1.00 0.00 C ATOM 1516 C ALA A 102 3.000 5.621 -10.609 1.00 0.00 C ATOM 1517 O ALA A 102 2.581 6.768 -10.765 1.00 0.00 O ATOM 1518 CB ALA A 102 1.546 4.214 -12.084 1.00 0.00 C ATOM 0 H ALA A 102 3.268 2.715 -10.942 1.00 0.00 H new ATOM 0 HA ALA A 102 3.410 5.097 -12.641 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.962 5.102 -12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.543 3.536 -12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.107 3.713 -11.221 1.00 0.00 H new ATOM 1524 N VAL A 103 3.494 5.181 -9.451 1.00 0.00 N ATOM 1525 CA VAL A 103 3.571 6.043 -8.278 1.00 0.00 C ATOM 1526 C VAL A 103 4.993 6.544 -8.058 1.00 0.00 C ATOM 1527 O VAL A 103 5.944 5.761 -8.048 1.00 0.00 O ATOM 1528 CB VAL A 103 3.094 5.311 -7.009 1.00 0.00 C ATOM 1529 CG1 VAL A 103 2.970 6.284 -5.846 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.773 4.602 -7.266 1.00 0.00 C ATOM 0 H VAL A 103 3.845 4.235 -9.303 1.00 0.00 H new ATOM 0 HA VAL A 103 2.914 6.892 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 103 3.837 4.559 -6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.632 5.749 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.940 6.739 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.249 7.062 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.452 4.091 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.018 5.333 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.901 3.874 -8.067 1.00 0.00 H new ATOM 1540 N THR A 104 5.135 7.854 -7.881 1.00 0.00 N ATOM 1541 CA THR A 104 6.443 8.460 -7.660 1.00 0.00 C ATOM 1542 C THR A 104 6.551 9.021 -6.246 1.00 0.00 C ATOM 1543 O THR A 104 5.835 9.955 -5.882 1.00 0.00 O ATOM 1544 CB THR A 104 6.693 9.569 -8.683 1.00 0.00 C ATOM 1545 OG1 THR A 104 5.984 9.315 -9.882 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.155 9.735 -9.040 1.00 0.00 C ATOM 0 H THR A 104 4.359 8.516 -7.886 1.00 0.00 H new ATOM 0 HA THR A 104 7.200 7.686 -7.782 1.00 0.00 H new ATOM 0 HB THR A 104 6.346 10.485 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.156 10.036 -10.523 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.262 10.537 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.723 9.982 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.534 8.805 -9.465 1.00 0.00 H new ATOM 1554 N VAL A 105 7.449 8.448 -5.454 1.00 0.00 N ATOM 1555 CA VAL A 105 7.650 8.890 -4.079 1.00 0.00 C ATOM 1556 C VAL A 105 8.485 10.166 -4.030 1.00 0.00 C ATOM 1557 O VAL A 105 9.620 10.196 -4.506 1.00 0.00 O ATOM 1558 CB VAL A 105 8.344 7.805 -3.234 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.367 8.202 -1.767 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.654 6.462 -3.421 1.00 0.00 C ATOM 0 H VAL A 105 8.050 7.675 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 105 6.662 9.087 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 105 9.375 7.709 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.861 7.423 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.911 9.140 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.346 8.329 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.157 5.707 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.613 6.541 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.697 6.174 -4.471 1.00 0.00 H new ATOM 1570 N GLY A 106 7.915 11.218 -3.452 1.00 0.00 N ATOM 1571 CA GLY A 106 8.619 12.482 -3.352 1.00 0.00 C ATOM 1572 C GLY A 106 9.452 12.584 -2.088 1.00 0.00 C ATOM 1573 O GLY A 106 10.620 12.970 -2.135 1.00 0.00 O ATOM 0 H GLY A 106 6.977 11.217 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.266 12.604 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.898 13.299 -3.375 1.00 0.00 H new