USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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 84 SER OG : rot 129:sc= 0.525 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.451 USER MOD Set 2.1: A 60 TYR OH : rot 22:sc= 2.48 USER MOD Set 2.2: A 81 TYR OH : rot -20:sc= -0.244 USER MOD Set 3.1: A 37 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= 0.258 F(o=-0.56,f=0.26) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.35) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 45:sc= 0.501 USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= -1.33! (180deg=-3.08!) USER MOD Single : A 38 THR OG1 : rot -143:sc= -5.55! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.6) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -124:sc= 0.236 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= -0.108 (180deg=-0.888) USER MOD Single : A 72 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -6.12! C(o=-6.1!,f=-10!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= -1.66 (180deg=-1.67) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.431 F(o=-1.2,f=-0.43) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -0.44 (180deg=-0.847) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -1.75! C(o=-1.8!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 9.249 4.502 -10.227 1.00 0.00 N ATOM 74 CA ASN A 5 8.066 5.297 -9.907 1.00 0.00 C ATOM 75 C ASN A 5 6.910 4.389 -9.536 1.00 0.00 C ATOM 76 O ASN A 5 5.751 4.575 -9.929 1.00 0.00 O ATOM 77 CB ASN A 5 7.699 6.212 -11.110 1.00 0.00 C ATOM 78 CG ASN A 5 7.483 5.526 -12.463 1.00 0.00 C ATOM 79 OD1 ASN A 5 6.414 5.819 -13.153 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 8.275 4.712 -12.915 1.00 0.00 N flip ATOM 0 HA ASN A 5 8.282 5.934 -9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.789 6.756 -10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.491 6.952 -11.227 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.115 4.472 -12.389 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.096 4.273 -13.818 1.00 0.00 H new ATOM 87 N ALA A 6 7.242 3.360 -8.770 1.00 0.00 N ATOM 88 CA ALA A 6 6.297 2.308 -8.413 1.00 0.00 C ATOM 89 C ALA A 6 6.780 1.537 -7.207 1.00 0.00 C ATOM 90 O ALA A 6 7.896 1.736 -6.704 1.00 0.00 O ATOM 91 CB ALA A 6 6.099 1.417 -9.652 1.00 0.00 C ATOM 0 H ALA A 6 8.174 3.229 -8.377 1.00 0.00 H new ATOM 0 HA ALA A 6 5.334 2.730 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.396 0.618 -9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.706 2.017 -10.473 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.055 0.984 -9.945 1.00 0.00 H new ATOM 97 N LEU A 7 5.933 0.655 -6.709 1.00 0.00 N ATOM 98 CA LEU A 7 6.278 -0.200 -5.578 1.00 0.00 C ATOM 99 C LEU A 7 6.298 -1.655 -5.981 1.00 0.00 C ATOM 100 O LEU A 7 5.270 -2.248 -6.337 1.00 0.00 O ATOM 101 CB LEU A 7 5.295 0.022 -4.390 1.00 0.00 C ATOM 102 CG LEU A 7 5.376 1.376 -3.632 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.280 1.536 -2.566 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.755 1.528 -2.975 1.00 0.00 C ATOM 0 H LEU A 7 4.991 0.508 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 7 7.280 0.076 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.279 -0.090 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.456 -0.778 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 7 5.220 2.159 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.391 2.501 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.300 1.481 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.371 0.739 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.803 2.480 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.914 0.712 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.529 1.500 -3.742 1.00 0.00 H new ATOM 116 N GLU A 8 7.485 -2.241 -5.954 1.00 0.00 N ATOM 117 CA GLU A 8 7.627 -3.683 -6.148 1.00 0.00 C ATOM 118 C GLU A 8 7.033 -4.416 -4.962 1.00 0.00 C ATOM 119 O GLU A 8 7.716 -4.787 -3.998 1.00 0.00 O ATOM 120 CB GLU A 8 9.129 -4.024 -6.351 1.00 0.00 C ATOM 121 CG GLU A 8 9.620 -4.235 -7.824 1.00 0.00 C ATOM 122 CD GLU A 8 11.113 -4.083 -8.126 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.986 -4.644 -7.478 1.00 0.00 O ATOM 124 OE2 GLU A 8 11.377 -3.266 -9.185 1.00 0.00 O ATOM 0 H GLU A 8 8.363 -1.746 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 8 7.085 -4.004 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.721 -3.223 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.349 -4.931 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.320 -5.236 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.080 -3.531 -8.457 1.00 0.00 H new ATOM 131 N THR A 9 5.738 -4.652 -5.033 1.00 0.00 N ATOM 132 CA THR A 9 4.958 -5.170 -3.911 1.00 0.00 C ATOM 133 C THR A 9 4.787 -6.668 -4.031 1.00 0.00 C ATOM 134 O THR A 9 4.464 -7.204 -5.100 1.00 0.00 O ATOM 135 CB THR A 9 3.592 -4.397 -3.829 1.00 0.00 C ATOM 136 OG1 THR A 9 3.305 -3.780 -5.078 1.00 0.00 O ATOM 137 CG2 THR A 9 3.528 -3.246 -2.801 1.00 0.00 C ATOM 0 H THR A 9 5.187 -4.490 -5.876 1.00 0.00 H new ATOM 0 HA THR A 9 5.487 -5.000 -2.973 1.00 0.00 H new ATOM 0 HB THR A 9 2.886 -5.172 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.452 -3.302 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.541 -2.785 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.714 -3.640 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.284 -2.499 -3.043 1.00 0.00 H new ATOM 145 N TRP A 10 5.034 -7.376 -2.943 1.00 0.00 N ATOM 146 CA TRP A 10 5.061 -8.837 -2.933 1.00 0.00 C ATOM 147 C TRP A 10 4.210 -9.395 -1.818 1.00 0.00 C ATOM 148 O TRP A 10 4.022 -8.768 -0.764 1.00 0.00 O ATOM 149 CB TRP A 10 6.532 -9.315 -2.746 1.00 0.00 C ATOM 150 CG TRP A 10 7.460 -8.949 -3.909 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.183 -7.745 -4.036 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.679 -9.649 -5.076 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.849 -7.670 -5.274 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.519 -8.860 -5.902 1.00 0.00 C ATOM 155 CE3 TRP A 10 7.224 -10.920 -5.511 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.880 -9.323 -7.186 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.523 -11.313 -6.817 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.332 -10.523 -7.647 1.00 0.00 C ATOM 0 H TRP A 10 5.223 -6.955 -2.033 1.00 0.00 H new ATOM 0 HA TRP A 10 4.659 -9.197 -3.880 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.930 -8.883 -1.828 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.538 -10.397 -2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.221 -6.976 -3.278 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.438 -6.915 -5.627 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.663 -11.565 -4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.567 -8.760 -7.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 7.124 -12.243 -7.195 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.534 -10.847 -8.657 1.00 0.00 H new ATOM 169 N GLY A 11 3.705 -10.600 -2.010 1.00 0.00 N ATOM 170 CA GLY A 11 2.902 -11.278 -0.996 1.00 0.00 C ATOM 171 C GLY A 11 3.193 -12.760 -0.964 1.00 0.00 C ATOM 172 O GLY A 11 4.321 -13.213 -1.209 1.00 0.00 O ATOM 0 H GLY A 11 3.836 -11.138 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.107 -10.844 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.843 -11.118 -1.201 1.00 0.00 H new ATOM 176 N ALA A 12 2.177 -13.547 -0.656 1.00 0.00 N ATOM 177 CA ALA A 12 2.290 -15.003 -0.652 1.00 0.00 C ATOM 178 C ALA A 12 0.964 -15.651 -0.980 1.00 0.00 C ATOM 179 O ALA A 12 -0.095 -15.259 -0.465 1.00 0.00 O ATOM 180 CB ALA A 12 2.834 -15.425 0.724 1.00 0.00 C ATOM 0 H ALA A 12 1.252 -13.201 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 12 2.979 -15.340 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.930 -16.510 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.811 -14.968 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.147 -15.096 1.503 1.00 0.00 H new ATOM 186 N LEU A 13 0.997 -16.633 -1.862 1.00 0.00 N ATOM 187 CA LEU A 13 -0.198 -17.360 -2.275 1.00 0.00 C ATOM 188 C LEU A 13 -1.002 -17.799 -1.071 1.00 0.00 C ATOM 189 O LEU A 13 -0.556 -18.532 -0.179 1.00 0.00 O ATOM 190 CB LEU A 13 0.164 -18.595 -3.155 1.00 0.00 C ATOM 191 CG LEU A 13 -0.951 -19.667 -3.350 1.00 0.00 C ATOM 192 CD1 LEU A 13 -2.388 -19.156 -3.072 1.00 0.00 C ATOM 193 CD2 LEU A 13 -0.847 -20.276 -4.757 1.00 0.00 C ATOM 0 H LEU A 13 1.853 -16.953 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.804 -16.680 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.466 -18.235 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.033 -19.084 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.773 -20.433 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.100 -19.966 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.458 -18.810 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.618 -18.332 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.628 -21.025 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.968 -19.491 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.129 -20.745 -4.879 1.00 0.00 H new ATOM 205 N GLY A 14 -2.249 -17.353 -1.048 1.00 0.00 N ATOM 206 CA GLY A 14 -3.243 -17.769 -0.062 1.00 0.00 C ATOM 207 C GLY A 14 -3.244 -16.765 1.070 1.00 0.00 C ATOM 208 O GLY A 14 -3.333 -17.138 2.254 1.00 0.00 O ATOM 0 H GLY A 14 -2.608 -16.680 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.231 -17.825 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.009 -18.765 0.315 1.00 0.00 H new ATOM 212 N GLN A 15 -3.170 -15.489 0.725 1.00 0.00 N ATOM 213 CA GLN A 15 -2.928 -14.476 1.756 1.00 0.00 C ATOM 214 C GLN A 15 -3.526 -13.113 1.471 1.00 0.00 C ATOM 215 O GLN A 15 -3.743 -12.667 0.338 1.00 0.00 O ATOM 216 CB GLN A 15 -1.399 -14.349 1.945 1.00 0.00 C ATOM 217 CG GLN A 15 -0.901 -14.027 3.392 1.00 0.00 C ATOM 218 CD GLN A 15 0.466 -13.354 3.579 1.00 0.00 C ATOM 219 OE1 GLN A 15 1.027 -12.726 2.577 1.00 0.00 O flip ATOM 220 NE2 GLN A 15 1.038 -13.377 4.657 1.00 0.00 N flip ATOM 0 H GLN A 15 -3.269 -15.132 -0.225 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.433 -14.817 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.937 -15.283 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.036 -13.568 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.649 -13.388 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.885 -14.963 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.615 -13.862 5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.939 -12.911 4.766 1.00 0.00 H new ATOM 229 N ASP A 16 -3.784 -12.400 2.563 1.00 0.00 N ATOM 230 CA ASP A 16 -4.201 -11.003 2.533 1.00 0.00 C ATOM 231 C ASP A 16 -2.998 -10.093 2.597 1.00 0.00 C ATOM 232 O ASP A 16 -2.037 -10.358 3.353 1.00 0.00 O ATOM 233 CB ASP A 16 -5.199 -10.728 3.690 1.00 0.00 C ATOM 234 CG ASP A 16 -5.126 -9.344 4.349 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.891 -8.319 3.725 1.00 0.00 O ATOM 236 OD2 ASP A 16 -5.321 -9.391 5.702 1.00 0.00 O ATOM 0 H ASP A 16 -3.708 -12.782 3.506 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.713 -10.796 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.210 -10.870 3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.041 -11.481 4.462 1.00 0.00 H new ATOM 241 N ILE A 17 -3.003 -9.004 1.854 1.00 0.00 N ATOM 242 CA ILE A 17 -1.819 -8.153 1.738 1.00 0.00 C ATOM 243 C ILE A 17 -2.181 -6.687 1.769 1.00 0.00 C ATOM 244 O ILE A 17 -3.278 -6.268 1.372 1.00 0.00 O ATOM 245 CB ILE A 17 -0.974 -8.529 0.453 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.032 -7.430 -0.018 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.870 -8.918 -0.765 1.00 0.00 C ATOM 248 CD1 ILE A 17 1.386 -7.945 -0.550 1.00 0.00 C ATOM 0 H ILE A 17 -3.809 -8.682 1.319 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.189 -8.338 2.608 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.397 -9.390 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.444 -6.839 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.223 -6.757 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.238 -9.166 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.483 -9.781 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.516 -8.079 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.005 -7.099 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.894 -8.508 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.216 -8.592 -1.411 1.00 0.00 H new ATOM 260 N ASN A 18 -1.259 -5.881 2.269 1.00 0.00 N ATOM 261 CA ASN A 18 -1.476 -4.446 2.424 1.00 0.00 C ATOM 262 C ASN A 18 -0.854 -3.668 1.284 1.00 0.00 C ATOM 263 O ASN A 18 0.196 -4.015 0.726 1.00 0.00 O ATOM 264 CB ASN A 18 -0.897 -3.978 3.791 1.00 0.00 C ATOM 265 CG ASN A 18 0.624 -4.016 3.967 1.00 0.00 C ATOM 266 OD1 ASN A 18 1.372 -4.465 3.111 1.00 0.00 O ATOM 267 ND2 ASN A 18 1.137 -3.569 5.081 1.00 0.00 N ATOM 0 H ASN A 18 -0.341 -6.198 2.579 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.548 -4.252 2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.230 -2.955 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.341 -4.594 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.146 -3.598 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.529 -3.191 5.807 1.00 0.00 H new ATOM 274 N LEU A 19 -1.499 -2.568 0.932 1.00 0.00 N ATOM 275 CA LEU A 19 -0.992 -1.620 -0.058 1.00 0.00 C ATOM 276 C LEU A 19 -0.547 -0.345 0.616 1.00 0.00 C ATOM 277 O LEU A 19 -1.370 0.485 1.045 1.00 0.00 O ATOM 278 CB LEU A 19 -2.068 -1.342 -1.148 1.00 0.00 C ATOM 279 CG LEU A 19 -2.225 -2.388 -2.288 1.00 0.00 C ATOM 280 CD1 LEU A 19 -2.884 -1.742 -3.513 1.00 0.00 C ATOM 281 CD2 LEU A 19 -0.886 -3.025 -2.692 1.00 0.00 C ATOM 0 H LEU A 19 -2.400 -2.301 1.328 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.125 -2.057 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.032 -1.241 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.842 -0.378 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.861 -3.185 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.988 -2.485 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.869 -1.363 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.264 -0.919 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.053 -3.747 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.205 -2.249 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.449 -3.531 -1.831 1.00 0.00 H new ATOM 293 N ASP A 20 0.751 -0.133 0.707 1.00 0.00 N ATOM 294 CA ASP A 20 1.292 0.976 1.492 1.00 0.00 C ATOM 295 C ASP A 20 1.165 2.280 0.741 1.00 0.00 C ATOM 296 O ASP A 20 0.351 2.428 -0.182 1.00 0.00 O ATOM 297 CB ASP A 20 2.752 0.650 1.913 1.00 0.00 C ATOM 298 CG ASP A 20 3.029 -0.782 2.391 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.301 -1.378 3.172 1.00 0.00 O ATOM 300 OD2 ASP A 20 4.181 -1.302 1.870 1.00 0.00 O ATOM 0 H ASP A 20 1.457 -0.710 0.250 1.00 0.00 H new ATOM 0 HA ASP A 20 0.711 1.101 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.405 0.858 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.037 1.336 2.711 1.00 0.00 H new ATOM 305 N ILE A 21 1.986 3.244 1.114 1.00 0.00 N ATOM 306 CA ILE A 21 1.874 4.606 0.598 1.00 0.00 C ATOM 307 C ILE A 21 3.130 5.395 0.888 1.00 0.00 C ATOM 308 O ILE A 21 3.947 5.027 1.746 1.00 0.00 O ATOM 309 CB ILE A 21 0.564 5.309 1.154 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.670 6.851 1.387 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.057 4.659 2.480 1.00 0.00 C ATOM 312 CD1 ILE A 21 -0.346 7.447 2.385 1.00 0.00 C ATOM 0 H ILE A 21 2.747 3.112 1.780 1.00 0.00 H new ATOM 0 HA ILE A 21 1.774 4.567 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.147 5.150 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.676 7.078 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.548 7.354 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.841 5.176 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.174 3.608 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.831 4.738 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.184 8.521 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.359 7.261 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.214 6.980 3.361 1.00 0.00 H new ATOM 324 N PRO A 22 3.311 6.489 0.172 1.00 0.00 N ATOM 325 CA PRO A 22 4.464 7.481 0.304 1.00 0.00 C ATOM 326 C PRO A 22 4.812 7.877 1.720 1.00 0.00 C ATOM 327 O PRO A 22 4.136 7.524 2.697 1.00 0.00 O ATOM 328 CB PRO A 22 4.024 8.732 -0.449 1.00 0.00 C ATOM 329 CG PRO A 22 3.217 8.104 -1.599 1.00 0.00 C ATOM 330 CD PRO A 22 2.430 6.981 -0.916 1.00 0.00 C ATOM 0 HA PRO A 22 5.361 7.004 -0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.417 9.395 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.870 9.317 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.553 8.831 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.869 7.717 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.484 7.349 -0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.192 6.184 -1.620 1.00 0.00 H new ATOM 338 N SER A 23 5.874 8.653 1.853 1.00 0.00 N ATOM 339 CA SER A 23 6.402 9.033 3.160 1.00 0.00 C ATOM 340 C SER A 23 5.779 10.314 3.666 1.00 0.00 C ATOM 341 O SER A 23 6.418 11.099 4.392 1.00 0.00 O ATOM 342 CB SER A 23 7.948 9.139 3.116 1.00 0.00 C ATOM 343 OG SER A 23 8.591 7.866 2.985 1.00 0.00 O ATOM 0 H SER A 23 6.395 9.038 1.065 1.00 0.00 H new ATOM 0 HA SER A 23 6.134 8.247 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.240 9.775 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.300 9.626 4.026 1.00 0.00 H new ATOM 0 HG SER A 23 9.563 7.991 2.961 1.00 0.00 H new ATOM 349 N PHE A 24 4.530 10.559 3.322 1.00 0.00 N ATOM 350 CA PHE A 24 3.769 11.686 3.861 1.00 0.00 C ATOM 351 C PHE A 24 2.410 11.229 4.336 1.00 0.00 C ATOM 352 O PHE A 24 1.824 10.273 3.795 1.00 0.00 O ATOM 353 CB PHE A 24 3.578 12.781 2.768 1.00 0.00 C ATOM 354 CG PHE A 24 2.204 12.838 2.083 1.00 0.00 C ATOM 355 CD1 PHE A 24 1.741 11.764 1.318 1.00 0.00 C ATOM 356 CD2 PHE A 24 1.391 13.965 2.250 1.00 0.00 C ATOM 357 CE1 PHE A 24 0.489 11.826 0.712 1.00 0.00 C ATOM 358 CE2 PHE A 24 0.141 14.025 1.646 1.00 0.00 C ATOM 359 CZ PHE A 24 -0.309 12.958 0.872 1.00 0.00 C ATOM 0 H PHE A 24 4.007 9.986 2.660 1.00 0.00 H new ATOM 0 HA PHE A 24 4.328 12.098 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.773 13.753 3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.336 12.631 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.356 10.884 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.737 14.792 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.136 10.996 0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.481 14.898 1.777 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.277 13.008 0.395 1.00 0.00 H new ATOM 369 N GLN A 25 1.873 11.882 5.348 1.00 0.00 N ATOM 370 CA GLN A 25 0.625 11.438 5.971 1.00 0.00 C ATOM 371 C GLN A 25 -0.299 12.604 6.231 1.00 0.00 C ATOM 372 O GLN A 25 0.126 13.747 6.454 1.00 0.00 O ATOM 373 CB GLN A 25 0.957 10.689 7.280 1.00 0.00 C ATOM 374 CG GLN A 25 2.382 10.937 7.878 1.00 0.00 C ATOM 375 CD GLN A 25 2.667 12.253 8.612 1.00 0.00 C ATOM 376 OE1 GLN A 25 2.117 12.518 9.670 1.00 0.00 O ATOM 377 NE2 GLN A 25 3.524 13.108 8.115 1.00 0.00 N ATOM 0 H GLN A 25 2.276 12.723 5.762 1.00 0.00 H new ATOM 0 HA GLN A 25 0.104 10.763 5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.218 10.968 8.031 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.842 9.620 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.593 10.123 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.099 10.855 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.994 12.905 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.722 13.978 8.610 1.00 0.00 H new ATOM 386 N MET A 26 -1.592 12.335 6.179 1.00 0.00 N ATOM 387 CA MET A 26 -2.602 13.353 6.450 1.00 0.00 C ATOM 388 C MET A 26 -2.325 14.052 7.760 1.00 0.00 C ATOM 389 O MET A 26 -1.697 13.503 8.677 1.00 0.00 O ATOM 390 CB MET A 26 -4.015 12.708 6.454 1.00 0.00 C ATOM 391 CG MET A 26 -4.249 11.613 7.517 1.00 0.00 C ATOM 392 SD MET A 26 -5.867 10.861 7.273 1.00 0.00 S ATOM 393 CE MET A 26 -6.574 11.224 8.886 1.00 0.00 C ATOM 0 H MET A 26 -1.972 11.416 5.951 1.00 0.00 H new ATOM 0 HA MET A 26 -2.562 14.103 5.660 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.753 13.496 6.602 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.201 12.278 5.470 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.471 10.853 7.447 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.185 12.044 8.516 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.590 10.833 8.934 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.968 10.757 9.662 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.593 12.303 9.041 1.00 0.00 H new ATOM 403 N SER A 27 -2.803 15.278 7.878 1.00 0.00 N ATOM 404 CA SER A 27 -2.494 16.115 9.032 1.00 0.00 C ATOM 405 C SER A 27 -3.402 17.329 9.083 1.00 0.00 C ATOM 406 O SER A 27 -4.471 17.337 9.708 1.00 0.00 O ATOM 407 CB SER A 27 -0.988 16.498 9.039 1.00 0.00 C ATOM 408 OG SER A 27 -0.201 15.639 9.870 1.00 0.00 O ATOM 0 H SER A 27 -3.409 15.721 7.188 1.00 0.00 H new ATOM 0 HA SER A 27 -2.686 15.544 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.604 16.461 8.020 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.881 17.527 9.383 1.00 0.00 H new ATOM 0 HG SER A 27 -0.453 14.706 9.708 1.00 0.00 H new ATOM 414 N ASP A 28 -2.956 18.386 8.428 1.00 0.00 N ATOM 415 CA ASP A 28 -3.620 19.684 8.485 1.00 0.00 C ATOM 416 C ASP A 28 -4.989 19.649 7.849 1.00 0.00 C ATOM 417 O ASP A 28 -6.016 19.973 8.486 1.00 0.00 O ATOM 418 CB ASP A 28 -2.719 20.772 7.839 1.00 0.00 C ATOM 419 CG ASP A 28 -2.282 20.535 6.387 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.359 19.794 6.081 1.00 0.00 O ATOM 421 OD2 ASP A 28 -3.016 21.257 5.488 1.00 0.00 O ATOM 0 H ASP A 28 -2.123 18.373 7.840 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.774 19.938 9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.250 21.723 7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.823 20.878 8.451 1.00 0.00 H new ATOM 426 N ASP A 29 -5.062 19.283 6.581 1.00 0.00 N ATOM 427 CA ASP A 29 -6.320 19.373 5.833 1.00 0.00 C ATOM 428 C ASP A 29 -6.392 18.402 4.678 1.00 0.00 C ATOM 429 O ASP A 29 -6.743 18.767 3.534 1.00 0.00 O ATOM 430 CB ASP A 29 -6.538 20.840 5.370 1.00 0.00 C ATOM 431 CG ASP A 29 -6.926 21.854 6.455 1.00 0.00 C ATOM 432 OD1 ASP A 29 -8.048 21.917 6.937 1.00 0.00 O ATOM 433 OD2 ASP A 29 -5.882 22.651 6.835 1.00 0.00 O ATOM 0 H ASP A 29 -4.274 18.922 6.044 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.131 19.083 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.621 21.186 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.316 20.844 4.606 1.00 0.00 H new ATOM 438 N ILE A 30 -6.092 17.141 4.922 1.00 0.00 N ATOM 439 CA ILE A 30 -6.301 16.089 3.927 1.00 0.00 C ATOM 440 C ILE A 30 -7.687 15.502 4.073 1.00 0.00 C ATOM 441 O ILE A 30 -8.176 15.327 5.214 1.00 0.00 O ATOM 442 CB ILE A 30 -5.170 14.983 3.992 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.145 15.034 2.814 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.743 13.534 4.076 1.00 0.00 C ATOM 445 CD1 ILE A 30 -2.725 14.523 3.133 1.00 0.00 C ATOM 0 H ILE A 30 -5.700 16.812 5.804 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.229 16.535 2.935 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.641 15.228 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.543 14.448 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.070 16.065 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.921 12.820 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.355 13.436 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.354 13.333 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.100 14.605 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.294 15.122 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.775 13.480 3.446 1.00 0.00 H new ATOM 457 N ASP A 31 -8.350 15.163 2.984 1.00 0.00 N ATOM 458 CA ASP A 31 -9.758 14.759 3.040 1.00 0.00 C ATOM 459 C ASP A 31 -10.051 13.470 2.308 1.00 0.00 C ATOM 460 O ASP A 31 -10.843 12.627 2.810 1.00 0.00 O ATOM 461 CB ASP A 31 -10.646 15.920 2.505 1.00 0.00 C ATOM 462 CG ASP A 31 -11.959 16.180 3.257 1.00 0.00 C ATOM 463 OD1 ASP A 31 -11.785 16.935 4.383 1.00 0.00 O ATOM 464 OD2 ASP A 31 -13.040 15.750 2.880 1.00 0.00 O ATOM 0 H ASP A 31 -7.945 15.156 2.048 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.994 14.556 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.056 16.836 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.885 15.714 1.462 1.00 0.00 H new ATOM 469 N ASP A 32 -9.495 13.241 1.135 1.00 0.00 N ATOM 470 CA ASP A 32 -9.883 12.103 0.295 1.00 0.00 C ATOM 471 C ASP A 32 -8.705 11.220 -0.047 1.00 0.00 C ATOM 472 O ASP A 32 -7.550 11.650 -0.170 1.00 0.00 O ATOM 473 CB ASP A 32 -10.604 12.619 -0.979 1.00 0.00 C ATOM 474 CG ASP A 32 -11.941 13.344 -0.761 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.353 13.661 0.345 1.00 0.00 O ATOM 476 OD2 ASP A 32 -12.619 13.569 -1.926 1.00 0.00 O ATOM 0 H ASP A 32 -8.766 13.828 0.731 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.574 11.478 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.929 13.296 -1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.779 11.770 -1.640 1.00 0.00 H new ATOM 481 N ILE A 33 -8.999 9.941 -0.231 1.00 0.00 N ATOM 482 CA ILE A 33 -7.985 8.920 -0.472 1.00 0.00 C ATOM 483 C ILE A 33 -8.500 7.868 -1.428 1.00 0.00 C ATOM 484 O ILE A 33 -9.384 7.063 -1.081 1.00 0.00 O ATOM 485 CB ILE A 33 -7.473 8.270 0.880 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.181 9.278 2.039 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.201 7.389 0.678 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.049 9.121 3.305 1.00 0.00 C ATOM 0 H ILE A 33 -9.952 9.579 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.128 9.408 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.322 7.657 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.134 9.179 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.312 10.290 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.894 6.969 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.425 6.581 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.394 8.001 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.759 9.872 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.099 9.254 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.903 8.126 3.725 1.00 0.00 H new ATOM 500 N LYS A 34 -7.958 7.822 -2.630 1.00 0.00 N ATOM 501 CA LYS A 34 -8.477 6.940 -3.674 1.00 0.00 C ATOM 502 C LYS A 34 -7.479 5.861 -4.029 1.00 0.00 C ATOM 503 O LYS A 34 -6.256 6.058 -4.029 1.00 0.00 O ATOM 504 CB LYS A 34 -8.849 7.783 -4.924 1.00 0.00 C ATOM 505 CG LYS A 34 -9.538 6.957 -6.040 1.00 0.00 C ATOM 506 CD LYS A 34 -10.501 7.749 -6.928 1.00 0.00 C ATOM 507 CE LYS A 34 -10.411 7.222 -8.367 1.00 0.00 C ATOM 508 NZ LYS A 34 -9.034 6.773 -8.638 1.00 0.00 N ATOM 0 H LYS A 34 -7.156 8.384 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.371 6.441 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.511 8.595 -4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.945 8.241 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.768 6.512 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.085 6.135 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.521 7.652 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.251 8.810 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.109 6.397 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.696 8.004 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.849 6.819 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.363 7.389 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.917 5.793 -8.309 1.00 0.00 H new ATOM 522 N TRP A 35 -8.003 4.695 -4.364 1.00 0.00 N ATOM 523 CA TRP A 35 -7.196 3.565 -4.814 1.00 0.00 C ATOM 524 C TRP A 35 -7.865 2.858 -5.971 1.00 0.00 C ATOM 525 O TRP A 35 -9.028 2.433 -5.886 1.00 0.00 O ATOM 526 CB TRP A 35 -7.011 2.570 -3.636 1.00 0.00 C ATOM 527 CG TRP A 35 -5.810 2.802 -2.717 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.844 3.497 -1.487 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.527 2.314 -2.842 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.601 3.440 -0.827 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.803 2.699 -1.684 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.899 1.565 -3.872 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.461 2.289 -1.517 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.589 1.129 -3.657 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.888 1.464 -2.489 1.00 0.00 C ATOM 0 H TRP A 35 -9.004 4.501 -4.333 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.226 3.935 -5.148 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.914 2.594 -3.026 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.932 1.565 -4.050 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.714 4.008 -1.101 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.347 3.849 0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.417 1.340 -4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.890 2.606 -0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.105 0.520 -4.407 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.890 1.079 -2.339 1.00 0.00 H new ATOM 546 N GLU A 36 -7.158 2.733 -7.078 1.00 0.00 N ATOM 547 CA GLU A 36 -7.711 2.104 -8.276 1.00 0.00 C ATOM 548 C GLU A 36 -6.956 0.843 -8.621 1.00 0.00 C ATOM 549 O GLU A 36 -5.837 0.606 -8.122 1.00 0.00 O ATOM 550 CB GLU A 36 -7.650 3.131 -9.440 1.00 0.00 C ATOM 551 CG GLU A 36 -6.529 2.942 -10.515 1.00 0.00 C ATOM 552 CD GLU A 36 -6.207 4.118 -11.441 1.00 0.00 C ATOM 553 OE1 GLU A 36 -6.018 5.256 -11.030 1.00 0.00 O ATOM 554 OE2 GLU A 36 -6.154 3.780 -12.759 1.00 0.00 O ATOM 0 H GLU A 36 -6.196 3.058 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.747 1.815 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.612 3.116 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.535 4.124 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.612 2.668 -9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.807 2.093 -11.140 1.00 0.00 H new ATOM 561 N LYS A 37 -7.522 0.035 -9.496 1.00 0.00 N ATOM 562 CA LYS A 37 -6.811 -1.149 -9.999 1.00 0.00 C ATOM 563 C LYS A 37 -6.341 -0.874 -11.413 1.00 0.00 C ATOM 564 O LYS A 37 -7.042 -1.123 -12.402 1.00 0.00 O ATOM 565 CB LYS A 37 -7.714 -2.407 -9.897 1.00 0.00 C ATOM 566 CG LYS A 37 -8.893 -2.473 -10.899 1.00 0.00 C ATOM 567 CD LYS A 37 -10.108 -3.266 -10.407 1.00 0.00 C ATOM 568 CE LYS A 37 -10.210 -4.579 -11.195 1.00 0.00 C ATOM 569 NZ LYS A 37 -11.560 -5.146 -11.031 1.00 0.00 N ATOM 0 H LYS A 37 -8.460 0.164 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.932 -1.354 -9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.091 -3.290 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.118 -2.460 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.210 -1.457 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.538 -2.918 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.013 -3.475 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.017 -2.679 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.005 -4.399 -12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.461 -5.287 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.809 -5.700 -11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.578 -5.763 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.248 -4.375 -10.908 1.00 0.00 H new ATOM 583 N THR A 38 -5.147 -0.323 -11.513 1.00 0.00 N ATOM 584 CA THR A 38 -4.608 0.218 -12.757 1.00 0.00 C ATOM 585 C THR A 38 -4.778 -0.703 -13.946 1.00 0.00 C ATOM 586 O THR A 38 -4.744 -0.225 -15.106 1.00 0.00 O ATOM 587 CB THR A 38 -3.094 0.596 -12.586 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.418 -0.382 -11.810 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.802 1.931 -11.867 1.00 0.00 C ATOM 0 H THR A 38 -4.509 -0.235 -10.722 1.00 0.00 H new ATOM 0 HA THR A 38 -5.193 1.113 -12.970 1.00 0.00 H new ATOM 0 HB THR A 38 -2.752 0.670 -13.618 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.756 0.056 -11.236 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.724 2.084 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.255 2.751 -12.424 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.220 1.901 -10.861 1.00 0.00 H new ATOM 597 N SER A 39 -4.933 -1.997 -13.751 1.00 0.00 N ATOM 598 CA SER A 39 -5.160 -2.925 -14.861 1.00 0.00 C ATOM 599 C SER A 39 -6.244 -2.414 -15.782 1.00 0.00 C ATOM 600 O SER A 39 -5.986 -2.030 -16.937 1.00 0.00 O ATOM 601 CB SER A 39 -5.478 -4.350 -14.345 1.00 0.00 C ATOM 602 OG SER A 39 -5.420 -5.341 -15.380 1.00 0.00 O ATOM 0 H SER A 39 -4.907 -2.440 -12.832 1.00 0.00 H new ATOM 0 HA SER A 39 -4.238 -2.987 -15.440 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.772 -4.612 -13.557 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.472 -4.356 -13.897 1.00 0.00 H new ATOM 0 HG SER A 39 -5.627 -6.221 -15.002 1.00 0.00 H new ATOM 608 N ASP A 40 -7.474 -2.403 -15.306 1.00 0.00 N ATOM 609 CA ASP A 40 -8.584 -1.794 -16.036 1.00 0.00 C ATOM 610 C ASP A 40 -8.940 -0.426 -15.490 1.00 0.00 C ATOM 611 O ASP A 40 -10.030 0.106 -15.788 1.00 0.00 O ATOM 612 CB ASP A 40 -9.809 -2.745 -16.033 1.00 0.00 C ATOM 613 CG ASP A 40 -10.028 -3.591 -14.771 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.541 -4.702 -14.619 1.00 0.00 O ATOM 615 OD2 ASP A 40 -10.840 -2.979 -13.857 1.00 0.00 O ATOM 0 H ASP A 40 -7.738 -2.811 -14.409 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.266 -1.642 -17.068 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.704 -2.146 -16.199 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.716 -3.421 -16.883 1.00 0.00 H new ATOM 620 N LYS A 41 -8.065 0.190 -14.719 1.00 0.00 N ATOM 621 CA LYS A 41 -8.288 1.517 -14.137 1.00 0.00 C ATOM 622 C LYS A 41 -9.668 1.602 -13.529 1.00 0.00 C ATOM 623 O LYS A 41 -10.492 2.468 -13.853 1.00 0.00 O ATOM 624 CB LYS A 41 -8.063 2.605 -15.221 1.00 0.00 C ATOM 625 CG LYS A 41 -9.174 2.691 -16.296 1.00 0.00 C ATOM 626 CD LYS A 41 -8.976 3.789 -17.345 1.00 0.00 C ATOM 627 CE LYS A 41 -10.254 3.941 -18.180 1.00 0.00 C ATOM 628 NZ LYS A 41 -10.503 5.371 -18.437 1.00 0.00 N ATOM 0 H LYS A 41 -7.163 -0.216 -14.470 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.572 1.689 -13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.976 3.574 -14.730 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.112 2.413 -15.717 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.240 1.730 -16.806 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.129 2.854 -15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.734 4.733 -16.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.135 3.540 -17.992 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.152 3.403 -19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.101 3.502 -17.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.369 5.476 -19.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.617 5.871 -17.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.698 5.776 -18.957 1.00 0.00 H new ATOM 642 N LYS A 42 -9.933 0.692 -12.597 1.00 0.00 N ATOM 643 CA LYS A 42 -11.267 0.551 -12.019 1.00 0.00 C ATOM 644 C LYS A 42 -11.259 0.594 -10.503 1.00 0.00 C ATOM 645 O LYS A 42 -10.663 -0.236 -9.806 1.00 0.00 O ATOM 646 CB LYS A 42 -11.912 -0.772 -12.522 1.00 0.00 C ATOM 647 CG LYS A 42 -13.366 -0.580 -13.026 1.00 0.00 C ATOM 648 CD LYS A 42 -13.934 -1.746 -13.839 1.00 0.00 C ATOM 649 CE LYS A 42 -14.983 -2.485 -12.996 1.00 0.00 C ATOM 650 NZ LYS A 42 -14.303 -3.398 -12.060 1.00 0.00 N ATOM 0 H LYS A 42 -9.242 0.040 -12.225 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.860 1.404 -12.349 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.304 -1.183 -13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.906 -1.503 -11.714 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.012 -0.410 -12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.405 0.321 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.385 -1.377 -14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.134 -2.429 -14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.593 -1.769 -12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.657 -3.046 -13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.012 -3.900 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.739 -4.088 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.677 -2.851 -11.435 1.00 0.00 H new ATOM 664 N LYS A 43 -11.974 1.570 -9.960 1.00 0.00 N ATOM 665 CA LYS A 43 -12.020 1.867 -8.534 1.00 0.00 C ATOM 666 C LYS A 43 -12.146 0.615 -7.689 1.00 0.00 C ATOM 667 O LYS A 43 -12.721 -0.408 -8.084 1.00 0.00 O ATOM 668 CB LYS A 43 -13.209 2.830 -8.248 1.00 0.00 C ATOM 669 CG LYS A 43 -13.433 3.939 -9.305 1.00 0.00 C ATOM 670 CD LYS A 43 -14.769 3.854 -10.052 1.00 0.00 C ATOM 671 CE LYS A 43 -15.325 5.270 -10.257 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.728 5.191 -10.703 1.00 0.00 N ATOM 0 H LYS A 43 -12.556 2.196 -10.516 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.078 2.342 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.122 2.239 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.047 3.302 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.369 4.909 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.623 3.897 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.630 3.362 -11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.478 3.251 -9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.260 5.835 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.727 5.803 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.103 6.151 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.778 4.667 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.294 4.699 -9.983 1.00 0.00 H new ATOM 686 N ILE A 44 -11.614 0.702 -6.481 1.00 0.00 N ATOM 687 CA ILE A 44 -11.619 -0.406 -5.532 1.00 0.00 C ATOM 688 C ILE A 44 -11.865 0.093 -4.125 1.00 0.00 C ATOM 689 O ILE A 44 -12.639 -0.478 -3.344 1.00 0.00 O ATOM 690 CB ILE A 44 -10.286 -1.254 -5.633 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.017 -0.425 -6.015 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.402 -2.451 -6.627 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.780 -1.244 -6.437 1.00 0.00 C ATOM 0 H ILE A 44 -11.164 1.546 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.441 -1.073 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.156 -1.625 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.279 0.248 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.743 0.198 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.458 -2.995 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.197 -3.121 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.632 -2.075 -7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.961 -0.567 -6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.480 -1.898 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.024 -1.846 -7.312 1.00 0.00 H new ATOM 705 N ALA A 45 -11.205 1.184 -3.783 1.00 0.00 N ATOM 706 CA ALA A 45 -11.414 1.874 -2.511 1.00 0.00 C ATOM 707 C ALA A 45 -11.372 3.372 -2.709 1.00 0.00 C ATOM 708 O ALA A 45 -10.619 3.874 -3.575 1.00 0.00 O ATOM 709 CB ALA A 45 -10.347 1.374 -1.523 1.00 0.00 C ATOM 0 H ALA A 45 -10.504 1.624 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.400 1.653 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.478 1.873 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.451 0.297 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.355 1.597 -1.915 1.00 0.00 H new ATOM 715 N GLN A 46 -12.162 4.123 -1.960 1.00 0.00 N ATOM 716 CA GLN A 46 -12.119 5.585 -2.054 1.00 0.00 C ATOM 717 C GLN A 46 -12.748 6.269 -0.862 1.00 0.00 C ATOM 718 O GLN A 46 -13.720 5.802 -0.252 1.00 0.00 O ATOM 719 CB GLN A 46 -12.833 6.009 -3.359 1.00 0.00 C ATOM 720 CG GLN A 46 -12.784 7.537 -3.697 1.00 0.00 C ATOM 721 CD GLN A 46 -13.977 8.190 -4.405 1.00 0.00 C ATOM 722 OE1 GLN A 46 -13.845 8.747 -5.483 1.00 0.00 O ATOM 723 NE2 GLN A 46 -15.158 8.177 -3.841 1.00 0.00 N ATOM 0 H GLN A 46 -12.835 3.757 -1.286 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.075 5.897 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.390 5.458 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.877 5.704 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.625 8.074 -2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.903 7.707 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.288 7.716 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.948 8.627 -4.302 1.00 0.00 H new ATOM 732 N PHE A 47 -12.202 7.425 -0.520 1.00 0.00 N ATOM 733 CA PHE A 47 -12.768 8.307 0.496 1.00 0.00 C ATOM 734 C PHE A 47 -13.096 9.658 -0.104 1.00 0.00 C ATOM 735 O PHE A 47 -12.221 10.350 -0.650 1.00 0.00 O ATOM 736 CB PHE A 47 -11.769 8.527 1.673 1.00 0.00 C ATOM 737 CG PHE A 47 -12.352 8.410 3.090 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.147 9.448 3.593 1.00 0.00 C ATOM 739 CD2 PHE A 47 -12.092 7.295 3.890 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.667 9.374 4.881 1.00 0.00 C ATOM 741 CE2 PHE A 47 -12.615 7.221 5.179 1.00 0.00 C ATOM 742 CZ PHE A 47 -13.398 8.262 5.675 1.00 0.00 C ATOM 0 H PHE A 47 -11.345 7.784 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.673 7.829 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.960 7.803 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.326 9.517 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.357 10.310 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.484 6.488 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.278 10.177 5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -12.414 6.357 5.794 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.797 8.206 6.677 1.00 0.00 H new ATOM 752 N ARG A 48 -14.346 10.062 0.010 1.00 0.00 N ATOM 753 CA ARG A 48 -14.797 11.345 -0.522 1.00 0.00 C ATOM 754 C ARG A 48 -15.858 11.952 0.368 1.00 0.00 C ATOM 755 O ARG A 48 -17.066 11.785 0.138 1.00 0.00 O ATOM 756 CB ARG A 48 -15.322 11.144 -1.970 1.00 0.00 C ATOM 757 CG ARG A 48 -16.155 12.326 -2.533 1.00 0.00 C ATOM 758 CD ARG A 48 -16.181 12.351 -4.067 1.00 0.00 C ATOM 759 NE ARG A 48 -17.387 13.099 -4.503 1.00 0.00 N ATOM 760 CZ ARG A 48 -17.951 13.021 -5.701 1.00 0.00 C ATOM 761 NH1 ARG A 48 -17.557 12.219 -6.646 1.00 0.00 N ATOM 762 NH2 ARG A 48 -18.953 13.792 -5.938 1.00 0.00 N ATOM 0 H ARG A 48 -15.077 9.519 0.469 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.958 12.041 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.471 10.972 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.934 10.242 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.176 12.258 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.742 13.265 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.280 12.826 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.201 11.336 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.818 13.726 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.765 11.596 -6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.040 12.213 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.285 14.432 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.415 13.763 -6.847 1.00 0.00 H new ATOM 776 N LYS A 49 -15.417 12.635 1.407 1.00 0.00 N ATOM 777 CA LYS A 49 -16.314 13.220 2.399 1.00 0.00 C ATOM 778 C LYS A 49 -17.074 12.131 3.123 1.00 0.00 C ATOM 779 O LYS A 49 -17.205 10.982 2.680 1.00 0.00 O ATOM 780 CB LYS A 49 -17.274 14.238 1.721 1.00 0.00 C ATOM 781 CG LYS A 49 -16.695 15.677 1.669 1.00 0.00 C ATOM 782 CD LYS A 49 -17.722 16.793 1.875 1.00 0.00 C ATOM 783 CE LYS A 49 -17.603 17.333 3.306 1.00 0.00 C ATOM 784 NZ LYS A 49 -18.912 17.846 3.746 1.00 0.00 N ATOM 0 H LYS A 49 -14.428 12.803 1.592 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.726 13.762 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.492 13.903 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.220 14.252 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.922 15.770 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.210 15.823 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.554 17.595 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.729 16.414 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.265 16.544 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.857 18.127 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.833 18.212 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.216 18.611 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.612 17.077 3.722 1.00 0.00 H new ATOM 798 N GLU A 50 -17.577 12.487 4.299 1.00 0.00 N ATOM 799 CA GLU A 50 -18.453 11.605 5.065 1.00 0.00 C ATOM 800 C GLU A 50 -19.902 11.728 4.647 1.00 0.00 C ATOM 801 O GLU A 50 -20.821 11.640 5.488 1.00 0.00 O ATOM 802 CB GLU A 50 -18.280 11.938 6.574 1.00 0.00 C ATOM 803 CG GLU A 50 -18.573 10.791 7.598 1.00 0.00 C ATOM 804 CD GLU A 50 -17.513 9.704 7.795 1.00 0.00 C ATOM 805 OE1 GLU A 50 -16.315 9.945 7.854 1.00 0.00 O ATOM 806 OE2 GLU A 50 -18.029 8.448 7.898 1.00 0.00 O ATOM 0 H GLU A 50 -17.393 13.385 4.746 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.170 10.571 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.256 12.276 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.933 12.778 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.761 11.252 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.498 10.302 7.293 1.00 0.00 H new ATOM 813 N LYS A 51 -20.165 11.910 3.369 1.00 0.00 N ATOM 814 CA LYS A 51 -21.530 11.887 2.812 1.00 0.00 C ATOM 815 C LYS A 51 -21.757 10.802 1.760 1.00 0.00 C ATOM 816 O LYS A 51 -22.873 10.549 1.296 1.00 0.00 O ATOM 817 CB LYS A 51 -21.809 13.273 2.169 1.00 0.00 C ATOM 818 CG LYS A 51 -23.228 13.825 2.440 1.00 0.00 C ATOM 819 CD LYS A 51 -23.793 14.721 1.332 1.00 0.00 C ATOM 820 CE LYS A 51 -23.832 13.932 0.016 1.00 0.00 C ATOM 821 NZ LYS A 51 -24.793 14.563 -0.906 1.00 0.00 N ATOM 0 H LYS A 51 -19.442 12.080 2.670 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.209 11.662 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.076 13.988 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.661 13.197 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.907 12.985 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.210 14.391 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.795 15.059 1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.175 15.612 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.840 13.908 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.120 12.898 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.820 14.029 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.739 14.564 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.499 15.542 -1.097 1.00 0.00 H new ATOM 835 N GLU A 52 -20.660 10.164 1.396 1.00 0.00 N ATOM 836 CA GLU A 52 -20.643 9.178 0.323 1.00 0.00 C ATOM 837 C GLU A 52 -19.254 8.612 0.131 1.00 0.00 C ATOM 838 O GLU A 52 -18.333 9.293 -0.345 1.00 0.00 O ATOM 839 CB GLU A 52 -21.158 9.854 -0.979 1.00 0.00 C ATOM 840 CG GLU A 52 -21.251 8.962 -2.261 1.00 0.00 C ATOM 841 CD GLU A 52 -21.985 7.623 -2.161 1.00 0.00 C ATOM 842 OE1 GLU A 52 -22.710 7.330 -1.218 1.00 0.00 O ATOM 843 OE2 GLU A 52 -21.756 6.791 -3.215 1.00 0.00 O ATOM 0 H GLU A 52 -19.752 10.313 1.835 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.295 8.343 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.149 10.261 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.506 10.698 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.736 9.550 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.235 8.760 -2.600 1.00 0.00 H new ATOM 850 N THR A 53 -19.079 7.354 0.490 1.00 0.00 N ATOM 851 CA THR A 53 -17.780 6.694 0.395 1.00 0.00 C ATOM 852 C THR A 53 -17.850 5.486 -0.508 1.00 0.00 C ATOM 853 O THR A 53 -18.891 5.169 -1.102 1.00 0.00 O ATOM 854 CB THR A 53 -17.264 6.292 1.819 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.829 7.141 2.810 1.00 0.00 O ATOM 856 CG2 THR A 53 -15.740 6.390 2.046 1.00 0.00 C ATOM 0 H THR A 53 -19.824 6.760 0.854 1.00 0.00 H new ATOM 0 HA THR A 53 -17.073 7.399 -0.043 1.00 0.00 H new ATOM 0 HB THR A 53 -17.561 5.246 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.499 6.877 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.504 6.087 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.225 5.734 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.414 7.418 1.888 1.00 0.00 H new ATOM 864 N PHE A 54 -16.741 4.776 -0.619 1.00 0.00 N ATOM 865 CA PHE A 54 -16.696 3.539 -1.395 1.00 0.00 C ATOM 866 C PHE A 54 -15.917 2.465 -0.669 1.00 0.00 C ATOM 867 O PHE A 54 -14.687 2.523 -0.533 1.00 0.00 O ATOM 868 CB PHE A 54 -16.022 3.796 -2.777 1.00 0.00 C ATOM 869 CG PHE A 54 -15.926 2.589 -3.722 1.00 0.00 C ATOM 870 CD1 PHE A 54 -17.052 1.819 -4.022 1.00 0.00 C ATOM 871 CD2 PHE A 54 -14.680 2.218 -4.244 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.936 0.698 -4.842 1.00 0.00 C ATOM 873 CE2 PHE A 54 -14.565 1.099 -5.060 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.693 0.339 -5.360 1.00 0.00 C ATOM 0 H PHE A 54 -15.855 5.032 -0.182 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.723 3.201 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.575 4.586 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.015 4.174 -2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.015 2.093 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.804 2.805 -4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.809 0.107 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.602 0.819 -5.461 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.604 -0.530 -5.995 1.00 0.00 H new ATOM 884 N LYS A 55 -16.631 1.452 -0.213 1.00 0.00 N ATOM 885 CA LYS A 55 -16.045 0.326 0.508 1.00 0.00 C ATOM 886 C LYS A 55 -17.015 -0.830 0.578 1.00 0.00 C ATOM 887 O LYS A 55 -17.636 -1.100 1.618 1.00 0.00 O ATOM 888 CB LYS A 55 -15.626 0.784 1.932 1.00 0.00 C ATOM 889 CG LYS A 55 -16.723 1.599 2.662 1.00 0.00 C ATOM 890 CD LYS A 55 -16.549 1.703 4.180 1.00 0.00 C ATOM 891 CE LYS A 55 -17.728 2.489 4.772 1.00 0.00 C ATOM 892 NZ LYS A 55 -17.991 2.016 6.143 1.00 0.00 N ATOM 0 H LYS A 55 -17.642 1.383 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.161 -0.018 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.377 -0.093 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.722 1.388 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.745 2.605 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.692 1.145 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.502 0.708 4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.609 2.201 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.501 3.555 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.615 2.357 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.789 2.547 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.224 1.003 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.145 2.164 6.730 1.00 0.00 H new ATOM 906 N GLU A 56 -17.152 -1.549 -0.520 1.00 0.00 N ATOM 907 CA GLU A 56 -18.165 -2.597 -0.635 1.00 0.00 C ATOM 908 C GLU A 56 -17.696 -3.916 -0.066 1.00 0.00 C ATOM 909 O GLU A 56 -18.529 -4.769 0.322 1.00 0.00 O ATOM 910 CB GLU A 56 -18.546 -2.740 -2.137 1.00 0.00 C ATOM 911 CG GLU A 56 -17.377 -2.896 -3.165 1.00 0.00 C ATOM 912 CD GLU A 56 -17.732 -3.153 -4.632 1.00 0.00 C ATOM 913 OE1 GLU A 56 -18.146 -4.427 -4.880 1.00 0.00 O ATOM 914 OE2 GLU A 56 -17.651 -2.292 -5.498 1.00 0.00 O ATOM 0 H GLU A 56 -16.574 -1.430 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.038 -2.312 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.201 -3.606 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.130 -1.864 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.773 -1.989 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.744 -3.717 -2.827 1.00 0.00 H new ATOM 921 N LYS A 57 -16.401 -4.143 0.034 1.00 0.00 N ATOM 922 CA LYS A 57 -15.875 -5.447 0.439 1.00 0.00 C ATOM 923 C LYS A 57 -14.558 -5.311 1.166 1.00 0.00 C ATOM 924 O LYS A 57 -13.966 -4.226 1.252 1.00 0.00 O ATOM 925 CB LYS A 57 -15.724 -6.348 -0.817 1.00 0.00 C ATOM 926 CG LYS A 57 -17.007 -6.413 -1.684 1.00 0.00 C ATOM 927 CD LYS A 57 -16.923 -7.348 -2.893 1.00 0.00 C ATOM 928 CE LYS A 57 -15.813 -6.860 -3.834 1.00 0.00 C ATOM 929 NZ LYS A 57 -16.092 -7.328 -5.203 1.00 0.00 N ATOM 0 H LYS A 57 -15.685 -3.443 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.576 -5.908 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.901 -5.975 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.456 -7.356 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.838 -6.732 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.241 -5.408 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.717 -8.367 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.878 -7.369 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.757 -5.772 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.846 -7.235 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.341 -6.998 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.125 -8.367 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.007 -6.949 -5.520 1.00 0.00 H new ATOM 943 N ASP A 58 -14.075 -6.416 1.712 1.00 0.00 N ATOM 944 CA ASP A 58 -12.764 -6.434 2.363 1.00 0.00 C ATOM 945 C ASP A 58 -11.646 -6.844 1.426 1.00 0.00 C ATOM 946 O ASP A 58 -10.467 -6.536 1.661 1.00 0.00 O ATOM 947 CB ASP A 58 -12.780 -7.352 3.617 1.00 0.00 C ATOM 948 CG ASP A 58 -13.943 -7.183 4.600 1.00 0.00 C ATOM 949 OD1 ASP A 58 -14.781 -6.297 4.500 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.956 -8.137 5.580 1.00 0.00 O ATOM 0 H ASP A 58 -14.564 -7.311 1.720 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.561 -5.409 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.775 -8.387 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.851 -7.191 4.164 1.00 0.00 H new ATOM 955 N THR A 59 -12.003 -7.567 0.379 1.00 0.00 N ATOM 956 CA THR A 59 -11.044 -7.904 -0.667 1.00 0.00 C ATOM 957 C THR A 59 -10.242 -6.676 -1.060 1.00 0.00 C ATOM 958 O THR A 59 -9.135 -6.766 -1.603 1.00 0.00 O ATOM 959 CB THR A 59 -11.729 -8.457 -1.973 1.00 0.00 C ATOM 960 OG1 THR A 59 -12.473 -9.638 -1.717 1.00 0.00 O ATOM 961 CG2 THR A 59 -10.776 -8.850 -3.124 1.00 0.00 C ATOM 0 H THR A 59 -12.943 -7.932 0.228 1.00 0.00 H new ATOM 0 HA THR A 59 -10.406 -8.682 -0.248 1.00 0.00 H new ATOM 0 HB THR A 59 -12.339 -7.607 -2.279 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.885 -9.952 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.358 -9.216 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 59 -10.198 -7.978 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.098 -9.633 -2.784 1.00 0.00 H new ATOM 969 N TYR A 60 -10.845 -5.518 -0.863 1.00 0.00 N ATOM 970 CA TYR A 60 -10.180 -4.237 -1.093 1.00 0.00 C ATOM 971 C TYR A 60 -10.688 -3.185 -0.134 1.00 0.00 C ATOM 972 O TYR A 60 -11.856 -2.734 -0.281 1.00 0.00 O ATOM 973 CB TYR A 60 -10.468 -3.714 -2.533 1.00 0.00 C ATOM 974 CG TYR A 60 -9.616 -4.301 -3.661 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.325 -3.804 -3.880 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.104 -5.332 -4.469 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.507 -4.389 -4.841 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.279 -5.919 -5.426 1.00 0.00 C ATOM 979 CZ TYR A 60 -7.984 -5.445 -5.613 1.00 0.00 C ATOM 980 OH TYR A 60 -7.182 -6.016 -6.560 1.00 0.00 O ATOM 0 H TYR A 60 -11.809 -5.433 -0.539 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.113 -4.407 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.516 -3.908 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.336 -2.632 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.964 -2.966 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.122 -5.674 -4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.501 -4.024 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.644 -6.742 -6.023 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.243 -5.836 -6.345 1.00 0.00 H new ATOM 990 N LYS A 61 -9.900 -2.733 0.822 1.00 0.00 N ATOM 991 CA LYS A 61 -10.396 -1.787 1.832 1.00 0.00 C ATOM 992 C LYS A 61 -9.443 -0.641 2.105 1.00 0.00 C ATOM 993 O LYS A 61 -8.213 -0.772 2.112 1.00 0.00 O ATOM 994 CB LYS A 61 -10.690 -2.570 3.141 1.00 0.00 C ATOM 995 CG LYS A 61 -12.110 -2.329 3.713 1.00 0.00 C ATOM 996 CD LYS A 61 -12.280 -2.708 5.187 1.00 0.00 C ATOM 997 CE LYS A 61 -10.917 -2.628 5.888 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.918 -1.502 6.837 1.00 0.00 N ATOM 0 H LYS A 61 -8.920 -2.996 0.930 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.304 -1.330 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.562 -3.636 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.953 -2.289 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.362 -1.275 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.827 -2.898 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.990 -2.036 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.687 -3.715 5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.711 -3.560 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.124 -2.496 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.994 -1.448 7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.096 -0.615 6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.664 -1.647 7.547 1.00 0.00 H new ATOM 1012 N LEU A 62 -10.024 0.519 2.368 1.00 0.00 N ATOM 1013 CA LEU A 62 -9.291 1.746 2.667 1.00 0.00 C ATOM 1014 C LEU A 62 -8.907 1.801 4.126 1.00 0.00 C ATOM 1015 O LEU A 62 -9.574 1.201 4.993 1.00 0.00 O ATOM 1016 CB LEU A 62 -10.147 2.987 2.276 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.483 4.207 1.586 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -10.051 5.548 2.087 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -7.962 4.184 1.785 1.00 0.00 C ATOM 0 H LEU A 62 -11.037 0.640 2.381 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.373 1.754 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.942 2.637 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.624 3.351 3.186 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.713 4.125 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.552 6.369 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.121 5.589 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.882 5.636 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.518 5.049 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.734 4.216 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.552 3.271 1.354 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.849 2.519 4.454 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.479 2.758 5.848 1.00 0.00 C ATOM 1033 C PHE A 63 -7.298 4.234 6.116 1.00 0.00 C ATOM 1034 O PHE A 63 -7.339 5.078 5.209 1.00 0.00 O ATOM 1035 CB PHE A 63 -6.147 2.022 6.187 1.00 0.00 C ATOM 1036 CG PHE A 63 -6.202 0.487 6.210 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.668 -0.169 7.356 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.768 -0.265 5.115 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.675 -1.558 7.415 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.788 -1.657 5.171 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.235 -2.302 6.322 1.00 0.00 C ATOM 0 H PHE A 63 -7.224 2.952 3.774 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.286 2.376 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.394 2.326 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.805 2.366 7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.024 0.407 8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.416 0.234 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.021 -2.060 8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.457 -2.236 4.322 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.241 -3.381 6.367 1.00 0.00 H new ATOM 1051 N LYS A 64 -7.095 4.572 7.377 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.995 5.966 7.800 1.00 0.00 C ATOM 1053 C LYS A 64 -5.736 6.606 7.263 1.00 0.00 C ATOM 1054 O LYS A 64 -5.761 7.664 6.619 1.00 0.00 O ATOM 1055 CB LYS A 64 -7.037 6.047 9.351 1.00 0.00 C ATOM 1056 CG LYS A 64 -8.079 5.105 10.004 1.00 0.00 C ATOM 1057 CD LYS A 64 -8.243 5.282 11.517 1.00 0.00 C ATOM 1058 CE LYS A 64 -9.319 6.341 11.790 1.00 0.00 C ATOM 1059 NZ LYS A 64 -10.626 5.680 11.950 1.00 0.00 N ATOM 0 H LYS A 64 -6.995 3.897 8.135 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.843 6.517 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.049 5.807 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.256 7.073 9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.045 5.267 9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.793 4.073 9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.524 4.335 11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.296 5.585 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.071 6.904 12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.359 7.056 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.357 6.396 12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.862 5.162 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.583 5.015 12.748 1.00 0.00 H new ATOM 1073 N ASN A 65 -4.606 5.980 7.542 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.312 6.469 7.076 1.00 0.00 C ATOM 1075 C ASN A 65 -3.234 6.519 5.566 1.00 0.00 C ATOM 1076 O ASN A 65 -2.327 7.170 5.001 1.00 0.00 O ATOM 1077 CB ASN A 65 -2.181 5.561 7.646 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.400 4.047 7.559 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -3.265 3.553 6.851 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.627 3.235 8.310 1.00 0.00 N ATOM 0 H ASN A 65 -4.555 5.124 8.094 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.186 7.490 7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.256 5.801 7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.031 5.823 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.769 2.225 8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.900 3.631 8.906 1.00 0.00 H new ATOM 1086 N GLY A 66 -4.149 5.878 4.865 1.00 0.00 N ATOM 1087 CA GLY A 66 -4.148 5.891 3.401 1.00 0.00 C ATOM 1088 C GLY A 66 -3.547 4.631 2.828 1.00 0.00 C ATOM 1089 O GLY A 66 -2.972 4.636 1.720 1.00 0.00 O ATOM 0 H GLY A 66 -4.908 5.338 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.170 6.004 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.587 6.755 3.046 1.00 0.00 H new ATOM 1093 N THR A 67 -3.625 3.529 3.550 1.00 0.00 N ATOM 1094 CA THR A 67 -3.217 2.227 3.023 1.00 0.00 C ATOM 1095 C THR A 67 -4.382 1.527 2.366 1.00 0.00 C ATOM 1096 O THR A 67 -5.552 1.925 2.532 1.00 0.00 O ATOM 1097 CB THR A 67 -2.608 1.342 4.162 1.00 0.00 C ATOM 1098 OG1 THR A 67 -1.188 1.381 4.117 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.956 -0.162 4.120 1.00 0.00 C ATOM 0 H THR A 67 -3.969 3.503 4.510 1.00 0.00 H new ATOM 0 HA THR A 67 -2.449 2.388 2.266 1.00 0.00 H new ATOM 0 HB THR A 67 -3.047 1.777 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.823 0.824 4.836 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.478 -0.670 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.037 -0.287 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.600 -0.592 3.184 1.00 0.00 H new ATOM 1107 N LEU A 68 -4.115 0.465 1.628 1.00 0.00 N ATOM 1108 CA LEU A 68 -5.181 -0.360 1.061 1.00 0.00 C ATOM 1109 C LEU A 68 -4.892 -1.832 1.233 1.00 0.00 C ATOM 1110 O LEU A 68 -3.986 -2.396 0.596 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.420 -0.033 -0.446 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.614 -0.757 -1.132 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.961 -0.070 -0.830 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -6.367 -0.858 -2.644 1.00 0.00 C ATOM 0 H LEU A 68 -3.172 0.149 1.404 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.091 -0.121 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.572 1.042 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.511 -0.277 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.679 -1.763 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.765 -0.610 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.137 -0.071 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.935 0.958 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.207 -1.366 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.265 0.143 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.453 -1.423 -2.826 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.671 -2.499 2.065 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.525 -3.940 2.262 1.00 0.00 C ATOM 1128 C LYS A 69 -6.243 -4.704 1.173 1.00 0.00 C ATOM 1129 O LYS A 69 -7.157 -4.194 0.510 1.00 0.00 O ATOM 1130 CB LYS A 69 -6.039 -4.319 3.678 1.00 0.00 C ATOM 1131 CG LYS A 69 -7.458 -4.934 3.750 1.00 0.00 C ATOM 1132 CD LYS A 69 -7.502 -6.398 4.199 1.00 0.00 C ATOM 1133 CE LYS A 69 -8.296 -6.501 5.509 1.00 0.00 C ATOM 1134 NZ LYS A 69 -7.721 -7.566 6.349 1.00 0.00 N ATOM 0 H LYS A 69 -6.413 -2.071 2.618 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.472 -4.215 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.337 -5.026 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.022 -3.424 4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.062 -4.340 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.923 -4.856 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.967 -7.013 3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.490 -6.777 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.268 -5.549 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.343 -6.716 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.460 -8.257 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.956 -8.043 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.340 -7.151 7.223 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.848 -5.949 0.985 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.471 -6.830 -0.005 1.00 0.00 C ATOM 1150 C ILE A 70 -6.715 -8.195 0.595 1.00 0.00 C ATOM 1151 O ILE A 70 -5.732 -8.887 0.970 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.620 -6.923 -1.338 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -6.015 -5.905 -2.459 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -5.641 -8.354 -1.963 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.883 -5.501 -3.428 1.00 0.00 C ATOM 0 H ILE A 70 -5.089 -6.384 1.509 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.432 -6.397 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.618 -6.665 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.831 -6.333 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.401 -5.003 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.043 -8.362 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.227 -9.068 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.668 -8.632 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.268 -4.793 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.072 -5.037 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.509 -6.387 -3.940 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.953 -8.644 0.704 1.00 0.00 N ATOM 1168 CA LYS A 71 -8.231 -9.884 1.446 1.00 0.00 C ATOM 1169 C LYS A 71 -8.215 -11.145 0.598 1.00 0.00 C ATOM 1170 O LYS A 71 -8.781 -11.218 -0.499 1.00 0.00 O ATOM 1171 CB LYS A 71 -9.598 -9.744 2.170 1.00 0.00 C ATOM 1172 CG LYS A 71 -10.088 -11.068 2.813 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.010 -11.111 4.342 1.00 0.00 C ATOM 1174 CE LYS A 71 -10.679 -12.397 4.847 1.00 0.00 C ATOM 1175 NZ LYS A 71 -12.118 -12.356 4.534 1.00 0.00 N ATOM 0 H LYS A 71 -8.772 -8.188 0.302 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.416 -10.007 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.515 -8.981 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.345 -9.396 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.121 -11.240 2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.497 -11.891 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.970 -11.077 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.505 -10.238 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.219 -13.267 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.532 -12.498 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.634 -12.976 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.467 -11.381 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.270 -12.682 3.558 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.583 -12.175 1.136 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.582 -13.525 0.580 1.00 0.00 C ATOM 1191 C HIS A 72 -7.109 -13.573 -0.852 1.00 0.00 C ATOM 1192 O HIS A 72 -7.887 -13.294 -1.793 1.00 0.00 O ATOM 1193 CB HIS A 72 -9.043 -14.014 0.662 1.00 0.00 C ATOM 1194 CG HIS A 72 -9.282 -15.226 -0.190 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -8.309 -16.131 -0.609 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -10.539 -15.577 -0.661 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -9.077 -16.982 -1.316 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -10.410 -16.725 -1.400 1.00 0.00 N ATOM 0 H HIS A 72 -7.040 -12.096 1.996 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.890 -14.153 1.142 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.290 -14.246 1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.711 -13.213 0.347 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.458 -15.040 -0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.646 -17.845 -1.803 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.132 -17.253 -1.890 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.873 -13.967 -1.087 1.00 0.00 N ATOM 1208 CA LEU A 73 -5.299 -13.908 -2.435 1.00 0.00 C ATOM 1209 C LEU A 73 -4.557 -15.184 -2.779 1.00 0.00 C ATOM 1210 O LEU A 73 -4.548 -16.167 -2.033 1.00 0.00 O ATOM 1211 CB LEU A 73 -4.370 -12.665 -2.533 1.00 0.00 C ATOM 1212 CG LEU A 73 -2.840 -12.804 -2.744 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -2.146 -11.453 -2.474 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -2.181 -13.889 -1.879 1.00 0.00 C ATOM 0 H LEU A 73 -5.242 -14.331 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.104 -13.812 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.747 -12.053 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.511 -12.092 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.712 -13.112 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.072 -11.559 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.536 -10.700 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.340 -11.143 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.112 -13.921 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.339 -13.660 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.625 -14.858 -2.110 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.988 -15.189 -3.970 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.063 -16.208 -4.454 1.00 0.00 C ATOM 1228 C LYS A 74 -2.106 -15.594 -5.458 1.00 0.00 C ATOM 1229 O LYS A 74 -1.697 -14.427 -5.316 1.00 0.00 O ATOM 1230 CB LYS A 74 -3.795 -17.420 -5.113 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.227 -17.716 -4.605 1.00 0.00 C ATOM 1232 CD LYS A 74 -5.773 -19.089 -5.028 1.00 0.00 C ATOM 1233 CE LYS A 74 -7.282 -18.983 -5.279 1.00 0.00 C ATOM 1234 NZ LYS A 74 -7.910 -20.297 -5.050 1.00 0.00 N ATOM 0 H LYS A 74 -4.162 -14.456 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.519 -16.585 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.842 -17.247 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.187 -18.311 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.235 -17.654 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.899 -16.941 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.266 -19.432 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.574 -19.827 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.721 -18.237 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.470 -18.651 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.934 -20.227 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.498 -20.997 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.742 -20.596 -4.068 1.00 0.00 H new ATOM 1248 N THR A 75 -1.754 -16.329 -6.491 1.00 0.00 N ATOM 1249 CA THR A 75 -1.105 -15.728 -7.654 1.00 0.00 C ATOM 1250 C THR A 75 -2.109 -14.961 -8.496 1.00 0.00 C ATOM 1251 O THR A 75 -1.787 -14.053 -9.273 1.00 0.00 O ATOM 1252 CB THR A 75 -0.389 -16.821 -8.514 1.00 0.00 C ATOM 1253 OG1 THR A 75 0.500 -17.586 -7.711 1.00 0.00 O ATOM 1254 CG2 THR A 75 0.484 -16.313 -9.682 1.00 0.00 C ATOM 0 H THR A 75 -1.901 -17.336 -6.557 1.00 0.00 H new ATOM 0 HA THR A 75 -0.353 -15.025 -7.296 1.00 0.00 H new ATOM 0 HB THR A 75 -1.229 -17.382 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.938 -18.266 -8.264 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.926 -17.163 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.133 -15.744 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.276 -15.673 -9.293 1.00 0.00 H new ATOM 1262 N ASP A 76 -3.369 -15.341 -8.352 1.00 0.00 N ATOM 1263 CA ASP A 76 -4.490 -14.707 -9.043 1.00 0.00 C ATOM 1264 C ASP A 76 -4.899 -13.382 -8.436 1.00 0.00 C ATOM 1265 O ASP A 76 -5.341 -12.476 -9.210 1.00 0.00 O ATOM 1266 CB ASP A 76 -5.694 -15.691 -9.101 1.00 0.00 C ATOM 1267 CG ASP A 76 -5.780 -16.601 -10.334 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -6.027 -16.183 -11.456 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -5.527 -17.913 -10.044 1.00 0.00 O ATOM 0 H ASP A 76 -3.650 -16.110 -7.743 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.155 -14.476 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.661 -16.323 -8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.613 -15.108 -9.043 1.00 0.00 H new ATOM 1274 N ASP A 77 -4.825 -13.175 -7.132 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.222 -11.879 -6.553 1.00 0.00 C ATOM 1276 C ASP A 77 -4.220 -10.807 -6.929 1.00 0.00 C ATOM 1277 O ASP A 77 -4.434 -9.613 -6.603 1.00 0.00 O ATOM 1278 CB ASP A 77 -5.451 -11.915 -5.018 1.00 0.00 C ATOM 1279 CG ASP A 77 -6.700 -11.161 -4.512 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -7.802 -11.684 -4.440 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -6.434 -9.861 -4.185 1.00 0.00 O ATOM 0 H ASP A 77 -4.501 -13.866 -6.455 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.193 -11.637 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.525 -12.956 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.572 -11.496 -4.528 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.121 -11.149 -7.573 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.213 -10.134 -8.117 1.00 0.00 C ATOM 1288 C GLN A 78 -2.929 -9.244 -9.105 1.00 0.00 C ATOM 1289 O GLN A 78 -3.639 -9.691 -10.017 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.006 -10.826 -8.785 1.00 0.00 C ATOM 1291 CG GLN A 78 0.235 -11.065 -7.860 1.00 0.00 C ATOM 1292 CD GLN A 78 0.006 -11.813 -6.537 1.00 0.00 C ATOM 1293 OE1 GLN A 78 0.243 -13.005 -6.449 1.00 0.00 O ATOM 1294 NE2 GLN A 78 -0.486 -11.182 -5.502 1.00 0.00 N ATOM 0 H GLN A 78 -2.829 -12.112 -7.736 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.858 -9.505 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.334 -11.788 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.691 -10.224 -9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.979 -11.618 -8.433 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.670 -10.094 -7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.689 -10.184 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.667 -11.688 -4.635 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.729 -7.950 -8.944 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.212 -6.944 -9.884 1.00 0.00 C ATOM 1305 C ASP A 79 -2.314 -5.729 -9.873 1.00 0.00 C ATOM 1306 O ASP A 79 -1.312 -5.644 -9.142 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.685 -6.571 -9.572 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.702 -7.720 -9.535 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.865 -8.438 -8.559 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.415 -7.834 -10.697 1.00 0.00 O ATOM 0 H ASP A 79 -2.222 -7.559 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.183 -7.363 -10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.709 -6.066 -8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.017 -5.849 -10.318 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.650 -4.756 -10.700 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.958 -3.469 -10.687 1.00 0.00 C ATOM 1317 C ILE A 80 -2.821 -2.418 -10.019 1.00 0.00 C ATOM 1318 O ILE A 80 -4.056 -2.428 -10.109 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.484 -3.059 -12.141 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -1.130 -4.264 -13.070 1.00 0.00 C ATOM 1321 CG2 ILE A 80 -0.267 -2.083 -12.124 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -0.188 -3.976 -14.257 1.00 0.00 C ATOM 0 H ILE A 80 -3.397 -4.827 -11.391 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.049 -3.557 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.359 -2.558 -12.555 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.676 -5.043 -12.457 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.060 -4.672 -13.466 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.015 -1.836 -13.147 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.539 -1.171 -11.592 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.574 -2.559 -11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.023 -4.894 -14.821 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.640 -3.227 -14.907 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.766 -3.604 -13.883 1.00 0.00 H new ATOM 1334 N TYR A 81 -2.170 -1.511 -9.318 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.845 -0.526 -8.479 1.00 0.00 C ATOM 1336 C TYR A 81 -2.104 0.787 -8.511 1.00 0.00 C ATOM 1337 O TYR A 81 -0.950 0.874 -8.956 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.910 -1.037 -7.004 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.383 -2.491 -6.857 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.522 -3.537 -7.200 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.671 -2.777 -6.399 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -2.911 -4.857 -6.986 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -5.056 -4.097 -6.187 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.174 -5.135 -6.472 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.547 -6.432 -6.255 1.00 0.00 O ATOM 0 H TYR A 81 -1.153 -1.432 -9.311 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.854 -0.381 -8.864 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.921 -0.942 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.580 -0.391 -6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.555 -3.322 -7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.368 -1.974 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.233 -5.665 -7.219 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.040 -4.316 -5.801 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.981 -7.029 -6.788 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.769 1.842 -8.084 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.109 3.137 -7.919 1.00 0.00 C ATOM 1357 C LYS A 82 -2.913 4.020 -6.998 1.00 0.00 C ATOM 1358 O LYS A 82 -4.151 4.120 -7.116 1.00 0.00 O ATOM 1359 CB LYS A 82 -1.917 3.808 -9.307 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.324 5.236 -9.234 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.351 6.366 -9.354 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.234 7.008 -10.743 1.00 0.00 C ATOM 1363 NZ LYS A 82 -1.206 8.064 -10.709 1.00 0.00 N ATOM 0 H LYS A 82 -3.760 1.836 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.128 2.986 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.262 3.183 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.880 3.850 -9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.793 5.346 -8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.586 5.349 -10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.358 5.976 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.180 7.113 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.971 6.253 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.194 7.429 -11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.125 8.500 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.475 8.789 -10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.291 7.649 -10.440 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.254 4.660 -6.051 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.954 5.425 -5.021 1.00 0.00 C ATOM 1379 C VAL A 83 -2.880 6.906 -5.309 1.00 0.00 C ATOM 1380 O VAL A 83 -1.801 7.502 -5.433 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.357 5.086 -3.597 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.843 5.377 -3.398 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -3.061 5.813 -2.427 1.00 0.00 C ATOM 0 H VAL A 83 -1.237 4.669 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.007 5.143 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.531 4.010 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.550 5.104 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.263 4.793 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.652 6.438 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.592 5.526 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.973 6.891 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.115 5.535 -2.407 1.00 0.00 H new ATOM 1393 N SER A 84 -4.040 7.522 -5.442 1.00 0.00 N ATOM 1394 CA SER A 84 -4.154 8.970 -5.609 1.00 0.00 C ATOM 1395 C SER A 84 -4.953 9.566 -4.475 1.00 0.00 C ATOM 1396 O SER A 84 -6.184 9.425 -4.401 1.00 0.00 O ATOM 1397 CB SER A 84 -4.760 9.332 -6.987 1.00 0.00 C ATOM 1398 OG SER A 84 -5.863 8.494 -7.349 1.00 0.00 O ATOM 0 H SER A 84 -4.937 7.036 -5.438 1.00 0.00 H new ATOM 0 HA SER A 84 -3.153 9.400 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.090 10.371 -6.972 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.986 9.254 -7.750 1.00 0.00 H new ATOM 0 HG SER A 84 -6.626 9.052 -7.610 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.273 10.264 -3.587 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.891 10.741 -2.349 1.00 0.00 C ATOM 1406 C ILE A 85 -4.899 12.251 -2.313 1.00 0.00 C ATOM 1407 O ILE A 85 -3.834 12.900 -2.342 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.197 10.084 -1.085 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.600 8.654 -1.338 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.143 10.019 0.156 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.316 8.307 -0.559 1.00 0.00 C ATOM 0 H ILE A 85 -3.291 10.518 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.934 10.425 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.365 10.758 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.362 7.915 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.393 8.552 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.615 9.560 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.452 11.027 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.023 9.424 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.998 7.296 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.528 9.013 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.513 8.366 0.511 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.068 12.857 -2.240 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.221 14.300 -2.421 1.00 0.00 C ATOM 1425 C TYR A 86 -6.711 14.990 -1.168 1.00 0.00 C ATOM 1426 O TYR A 86 -7.316 14.389 -0.270 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.248 14.591 -3.557 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.260 13.597 -4.726 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -7.789 12.317 -4.538 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -6.741 13.953 -5.973 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -7.821 11.410 -5.593 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -6.792 13.050 -7.033 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.327 11.780 -6.842 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.366 10.894 -7.881 1.00 0.00 O ATOM 0 H TYR A 86 -6.944 12.368 -2.054 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.233 14.687 -2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.246 14.618 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.047 15.586 -3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.174 12.031 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.300 14.928 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.228 10.421 -5.444 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.416 13.336 -8.004 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.983 11.311 -8.681 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.452 16.285 -1.100 1.00 0.00 N ATOM 1445 CA ASP A 87 -6.930 17.132 -0.011 1.00 0.00 C ATOM 1446 C ASP A 87 -8.398 17.451 -0.174 1.00 0.00 C ATOM 1447 O ASP A 87 -9.099 16.904 -1.041 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.054 18.411 0.085 1.00 0.00 C ATOM 1449 CG ASP A 87 -5.709 19.112 -1.238 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.385 19.004 -2.250 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.580 19.879 -1.151 1.00 0.00 O ATOM 0 H ASP A 87 -5.902 16.784 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.835 16.592 0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.567 19.128 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.121 18.148 0.584 1.00 0.00 H new ATOM 1456 N THR A 88 -8.905 18.326 0.675 1.00 0.00 N ATOM 1457 CA THR A 88 -10.317 18.700 0.646 1.00 0.00 C ATOM 1458 C THR A 88 -10.714 19.299 -0.683 1.00 0.00 C ATOM 1459 O THR A 88 -11.896 19.245 -1.082 1.00 0.00 O ATOM 1460 CB THR A 88 -10.646 19.697 1.811 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.601 21.038 1.340 1.00 0.00 O ATOM 1462 CG2 THR A 88 -9.691 19.681 3.024 1.00 0.00 C ATOM 0 H THR A 88 -8.361 18.796 1.399 1.00 0.00 H new ATOM 0 HA THR A 88 -10.898 17.788 0.783 1.00 0.00 H new ATOM 0 HB THR A 88 -11.628 19.358 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.810 21.650 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.025 20.413 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.691 18.688 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.682 19.931 2.696 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.781 19.900 -1.396 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.099 20.632 -2.623 1.00 0.00 C ATOM 1472 C LYS A 89 -10.033 19.755 -3.853 1.00 0.00 C ATOM 1473 O LYS A 89 -9.938 20.265 -4.992 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.124 21.836 -2.761 1.00 0.00 C ATOM 1475 CG LYS A 89 -9.209 22.839 -1.584 1.00 0.00 C ATOM 1476 CD LYS A 89 -10.471 23.707 -1.567 1.00 0.00 C ATOM 1477 CE LYS A 89 -10.263 24.919 -2.485 1.00 0.00 C ATOM 1478 NZ LYS A 89 -9.903 26.094 -1.672 1.00 0.00 N ATOM 0 H LYS A 89 -8.791 19.900 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.127 20.986 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.104 21.460 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.338 22.361 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.155 22.284 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.337 23.492 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.331 23.126 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.685 24.038 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.476 24.709 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.172 25.120 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.762 26.916 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.668 26.297 -0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.025 25.899 -1.150 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.097 18.446 -3.699 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.039 17.529 -4.834 1.00 0.00 C ATOM 1494 C GLY A 90 -8.693 17.547 -5.518 1.00 0.00 C ATOM 1495 O GLY A 90 -8.536 17.005 -6.632 1.00 0.00 O ATOM 0 H GLY A 90 -10.190 17.986 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.257 16.517 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.813 17.796 -5.553 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.688 18.138 -4.900 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.380 18.298 -5.533 1.00 0.00 C ATOM 1501 C LYS A 91 -5.479 17.121 -5.243 1.00 0.00 C ATOM 1502 O LYS A 91 -5.150 16.832 -4.078 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.726 19.619 -5.036 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.594 20.694 -6.143 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.067 22.051 -5.669 1.00 0.00 C ATOM 1506 CE LYS A 91 -6.185 23.096 -5.788 1.00 0.00 C ATOM 1507 NZ LYS A 91 -7.188 22.859 -4.735 1.00 0.00 N ATOM 0 H LYS A 91 -7.747 18.519 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.520 18.343 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.319 20.023 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.737 19.398 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.930 20.314 -6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.571 20.841 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.726 21.982 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.208 22.350 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.771 24.100 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.652 23.035 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.911 23.605 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.638 21.934 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.724 22.871 -3.804 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.038 16.434 -6.279 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.058 15.360 -6.124 1.00 0.00 C ATOM 1523 C ASN A 92 -2.791 15.881 -5.484 1.00 0.00 C ATOM 1524 O ASN A 92 -1.881 16.416 -6.134 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.768 14.713 -7.510 1.00 0.00 C ATOM 1526 CG ASN A 92 -2.918 15.492 -8.517 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -3.162 16.761 -8.703 1.00 0.00 O flip ATOM 1528 ND2 ASN A 92 -2.019 14.964 -9.157 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.339 16.595 -7.240 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.466 14.595 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.278 13.756 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.727 14.497 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.813 13.974 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.475 15.514 -9.822 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.719 15.753 -4.169 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.585 16.269 -3.402 1.00 0.00 C ATOM 1537 C VAL A 93 -0.369 15.372 -3.514 1.00 0.00 C ATOM 1538 O VAL A 93 0.787 15.804 -3.408 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.007 16.451 -1.891 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.286 17.296 -1.631 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.238 15.118 -1.139 1.00 0.00 C ATOM 0 H VAL A 93 -3.434 15.295 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.305 17.236 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.135 16.987 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.474 17.350 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.144 18.302 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.137 16.829 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.525 15.327 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.033 14.556 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.320 14.531 -1.148 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.630 14.100 -3.758 1.00 0.00 N ATOM 1552 CA LEU A 94 0.419 13.123 -4.028 1.00 0.00 C ATOM 1553 C LEU A 94 -0.162 11.860 -4.624 1.00 0.00 C ATOM 1554 O LEU A 94 -1.336 11.514 -4.431 1.00 0.00 O ATOM 1555 CB LEU A 94 1.231 12.808 -2.740 1.00 0.00 C ATOM 1556 CG LEU A 94 2.296 11.679 -2.805 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.430 12.080 -3.760 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.879 11.331 -1.425 1.00 0.00 C ATOM 0 H LEU A 94 -1.573 13.712 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 94 1.103 13.556 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.734 13.724 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.522 12.553 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 94 1.791 10.788 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.172 11.282 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.024 12.247 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.900 12.996 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.617 10.536 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.355 12.214 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.078 10.996 -0.766 1.00 0.00 H new ATOM 1570 N GLU A 95 0.669 11.143 -5.358 1.00 0.00 N ATOM 1571 CA GLU A 95 0.245 9.969 -6.115 1.00 0.00 C ATOM 1572 C GLU A 95 1.407 9.030 -6.334 1.00 0.00 C ATOM 1573 O GLU A 95 2.584 9.431 -6.270 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.360 10.446 -7.465 1.00 0.00 C ATOM 1575 CG GLU A 95 0.631 11.003 -8.541 1.00 0.00 C ATOM 1576 CD GLU A 95 0.550 12.487 -8.905 1.00 0.00 C ATOM 1577 OE1 GLU A 95 -0.305 12.754 -9.931 1.00 0.00 O ATOM 1578 OE2 GLU A 95 1.194 13.352 -8.326 1.00 0.00 O ATOM 0 H GLU A 95 1.662 11.356 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.511 9.417 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.901 9.609 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.095 11.222 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.645 10.801 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.486 10.428 -9.456 1.00 0.00 H new ATOM 1585 N LYS A 96 1.120 7.773 -6.616 1.00 0.00 N ATOM 1586 CA LYS A 96 2.170 6.771 -6.797 1.00 0.00 C ATOM 1587 C LYS A 96 1.589 5.463 -7.284 1.00 0.00 C ATOM 1588 O LYS A 96 0.412 5.145 -7.064 1.00 0.00 O ATOM 1589 CB LYS A 96 2.954 6.591 -5.468 1.00 0.00 C ATOM 1590 CG LYS A 96 2.389 5.540 -4.481 1.00 0.00 C ATOM 1591 CD LYS A 96 3.453 4.710 -3.752 1.00 0.00 C ATOM 1592 CE LYS A 96 4.720 5.555 -3.566 1.00 0.00 C ATOM 1593 NZ LYS A 96 5.548 4.969 -2.497 1.00 0.00 N ATOM 0 H LYS A 96 0.171 7.415 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 96 2.866 7.116 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.981 6.317 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.992 7.554 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.775 6.051 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.732 4.864 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.075 4.384 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.683 3.811 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.284 5.594 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.452 6.581 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.072 5.724 -2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.937 4.477 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.220 4.292 -2.910 1.00 0.00 H new ATOM 1607 N ILE A 97 2.423 4.672 -7.932 1.00 0.00 N ATOM 1608 CA ILE A 97 1.983 3.453 -8.602 1.00 0.00 C ATOM 1609 C ILE A 97 2.404 2.216 -7.842 1.00 0.00 C ATOM 1610 O ILE A 97 3.387 2.194 -7.088 1.00 0.00 O ATOM 1611 CB ILE A 97 2.484 3.430 -10.106 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.879 4.834 -10.667 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.453 2.783 -11.082 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.713 4.834 -11.963 1.00 0.00 C ATOM 0 H ILE A 97 3.424 4.852 -8.011 1.00 0.00 H new ATOM 0 HA ILE A 97 0.893 3.450 -8.618 1.00 0.00 H new ATOM 0 HB ILE A 97 3.381 2.813 -10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.966 5.402 -10.846 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.439 5.366 -9.898 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.853 2.797 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.264 1.753 -10.781 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.521 3.347 -11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.927 5.861 -12.258 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.649 4.302 -11.793 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.153 4.338 -12.756 1.00 0.00 H new ATOM 1626 N PHE A 98 1.630 1.157 -8.011 1.00 0.00 N ATOM 1627 CA PHE A 98 1.907 -0.134 -7.391 1.00 0.00 C ATOM 1628 C PHE A 98 1.720 -1.275 -8.368 1.00 0.00 C ATOM 1629 O PHE A 98 1.122 -1.135 -9.444 1.00 0.00 O ATOM 1630 CB PHE A 98 0.929 -0.360 -6.197 1.00 0.00 C ATOM 1631 CG PHE A 98 0.835 0.734 -5.123 1.00 0.00 C ATOM 1632 CD1 PHE A 98 -0.020 1.824 -5.311 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.548 0.615 -3.924 1.00 0.00 C ATOM 1634 CE1 PHE A 98 -0.107 2.818 -4.341 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.462 1.613 -2.959 1.00 0.00 C ATOM 1636 CZ PHE A 98 0.653 2.725 -3.176 1.00 0.00 C ATOM 0 H PHE A 98 0.787 1.166 -8.585 1.00 0.00 H new ATOM 0 HA PHE A 98 2.944 -0.119 -7.055 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.069 -0.511 -6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.215 -1.289 -5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.614 1.895 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.166 -0.253 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.764 3.662 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.023 1.525 -2.041 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.614 3.516 -2.442 1.00 0.00 H new ATOM 1646 N ASP A 99 2.204 -2.440 -7.981 1.00 0.00 N ATOM 1647 CA ASP A 99 1.996 -3.677 -8.728 1.00 0.00 C ATOM 1648 C ASP A 99 2.120 -4.877 -7.818 1.00 0.00 C ATOM 1649 O ASP A 99 3.235 -5.363 -7.545 1.00 0.00 O ATOM 1650 CB ASP A 99 2.980 -3.755 -9.924 1.00 0.00 C ATOM 1651 CG ASP A 99 3.238 -2.453 -10.698 1.00 0.00 C ATOM 1652 OD1 ASP A 99 2.560 -2.098 -11.651 1.00 0.00 O ATOM 1653 OD2 ASP A 99 4.315 -1.758 -10.223 1.00 0.00 O ATOM 0 H ASP A 99 2.758 -2.561 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 99 0.984 -3.680 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.936 -4.124 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.602 -4.498 -10.626 1.00 0.00 H new ATOM 1658 N LEU A 100 1.010 -5.373 -7.305 1.00 0.00 N ATOM 1659 CA LEU A 100 1.024 -6.558 -6.446 1.00 0.00 C ATOM 1660 C LEU A 100 1.773 -7.697 -7.096 1.00 0.00 C ATOM 1661 O LEU A 100 1.763 -7.873 -8.323 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.427 -6.984 -6.082 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.781 -7.162 -4.581 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -1.021 -5.822 -3.865 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -2.018 -8.058 -4.433 1.00 0.00 C ATOM 0 H LEU A 100 0.083 -4.979 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 100 1.549 -6.301 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.107 -6.242 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.635 -7.927 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 100 0.080 -7.633 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.265 -6.007 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.120 -5.211 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.848 -5.297 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.257 -8.176 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.863 -7.600 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.814 -9.035 -4.870 1.00 0.00 H new ATOM 1677 N LYS A 101 2.434 -8.495 -6.277 1.00 0.00 N ATOM 1678 CA LYS A 101 3.093 -9.713 -6.731 1.00 0.00 C ATOM 1679 C LYS A 101 3.010 -10.800 -5.679 1.00 0.00 C ATOM 1680 O LYS A 101 2.419 -10.664 -4.600 1.00 0.00 O ATOM 1681 CB LYS A 101 4.591 -9.448 -7.077 1.00 0.00 C ATOM 1682 CG LYS A 101 4.814 -8.330 -8.123 1.00 0.00 C ATOM 1683 CD LYS A 101 5.600 -8.759 -9.366 1.00 0.00 C ATOM 1684 CE LYS A 101 4.779 -8.435 -10.621 1.00 0.00 C ATOM 1685 NZ LYS A 101 5.636 -7.745 -11.601 1.00 0.00 N ATOM 0 H LYS A 101 2.531 -8.319 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 101 2.573 -10.043 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.122 -9.185 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.035 -10.371 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.843 -7.948 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.341 -7.504 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.559 -8.242 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.815 -9.827 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.378 -9.352 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.927 -7.807 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.081 -7.524 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.998 -6.863 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.435 -8.360 -11.858 1.00 0.00 H new ATOM 1699 N ILE A 102 3.628 -11.921 -6.001 1.00 0.00 N ATOM 1700 CA ILE A 102 3.848 -13.020 -5.066 1.00 0.00 C ATOM 1701 C ILE A 102 5.095 -13.779 -5.452 1.00 0.00 C ATOM 1702 O ILE A 102 5.557 -13.749 -6.601 1.00 0.00 O ATOM 1703 CB ILE A 102 2.605 -13.990 -4.936 1.00 0.00 C ATOM 1704 CG1 ILE A 102 1.517 -13.501 -3.924 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.995 -15.454 -4.542 1.00 0.00 C ATOM 1706 CD1 ILE A 102 0.435 -14.536 -3.554 1.00 0.00 C ATOM 0 H ILE A 102 3.999 -12.101 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 102 3.982 -12.580 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 102 2.187 -13.978 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.016 -13.181 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.026 -12.623 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.094 -16.064 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.656 -15.871 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.506 -15.448 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.267 -14.092 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.100 -14.841 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.906 -15.407 -3.099 1.00 0.00 H new ATOM 1718 N GLN A 103 5.632 -14.514 -4.496 1.00 0.00 N ATOM 1719 CA GLN A 103 6.928 -15.164 -4.686 1.00 0.00 C ATOM 1720 C GLN A 103 6.896 -16.568 -4.133 1.00 0.00 C ATOM 1721 O GLN A 103 6.327 -16.841 -3.066 1.00 0.00 O ATOM 1722 CB GLN A 103 8.026 -14.300 -4.023 1.00 0.00 C ATOM 1723 CG GLN A 103 9.269 -15.058 -3.456 1.00 0.00 C ATOM 1724 CD GLN A 103 9.107 -15.970 -2.234 1.00 0.00 C ATOM 1725 OE1 GLN A 103 9.463 -17.137 -2.266 1.00 0.00 O ATOM 1726 NE2 GLN A 103 8.603 -15.493 -1.124 1.00 0.00 N ATOM 0 H GLN A 103 5.201 -14.679 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 103 7.155 -15.248 -5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.376 -13.573 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.570 -13.737 -3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.678 -15.665 -4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.022 -14.310 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.300 -14.520 -1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.513 -16.094 -0.305 1.00 0.00 H new