USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 73 TYR OH : rot 180:sc= 0.827 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 151:sc= 1.6 (180deg=-0.0149) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.047 K(o=-0.1,f=-1.2) USER MOD Set 2.2: A 24 GLN :FLIP amide:sc= -0.183 F(o=-1.2!,f=-0.1) USER MOD Set 2.3: A 29 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.228 F(o=-1.4,f=-0.23) USER MOD Single : A 11 THR OG1 : rot 127:sc= 1.28 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.12 F(o=-1.5!,f=-0.12) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -6.69! C(o=-6.7!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0.258 (180deg=0.231) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -114:sc= -3.15 (180deg=-3.69!) USER MOD Single : A 42 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.5) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0577) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 1.02 (180deg=0.609) USER MOD Single : A 54 MET CE :methyl 153:sc= -2.3 (180deg=-2.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 57 SER OG : rot 75:sc= 1.19 USER MOD Single : A 59 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.137 USER MOD Single : A 64 TYR OH : rot 51:sc= 0.876 USER MOD Single : A 65 TYR OH : rot 17:sc= 0.00558 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= -0.725 (180deg=-0.814) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.3!) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= -0.0184 (180deg=-0.193) USER MOD Single : B 110 THR OG1 : rot 29:sc= 0.304 USER MOD Single : B 112 GLN :FLIP amide:sc= -0.42 F(o=-1.5!,f=-0.42) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 61:sc= 1.25 USER MOD Single : B 119 SER OG : rot 140:sc= -0.0033 USER MOD Single : B 141 MET CE :methyl -119:sc= -0.623 (180deg=-1.09) USER MOD Single : B 143 SER OG : rot 180:sc=0.000926 USER MOD Single : B 147 SER OG : rot 180:sc=2.42e-05 USER MOD Single : B 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.198 -0.961 -5.704 1.00 0.00 N ATOM 73 CA GLY A 5 23.028 -1.096 -4.504 1.00 0.00 C ATOM 74 C GLY A 5 22.307 -0.889 -3.194 1.00 0.00 C ATOM 75 O GLY A 5 22.621 -1.533 -2.196 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.474 -2.090 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.847 -0.379 -4.566 1.00 0.00 H new ATOM 79 N TRP A 6 21.309 -0.049 -3.206 1.00 0.00 N ATOM 80 CA TRP A 6 20.561 0.267 -2.013 1.00 0.00 C ATOM 81 C TRP A 6 19.673 -0.883 -1.527 1.00 0.00 C ATOM 82 O TRP A 6 19.066 -0.780 -0.456 1.00 0.00 O ATOM 83 CB TRP A 6 19.739 1.533 -2.202 1.00 0.00 C ATOM 84 CG TRP A 6 18.790 1.494 -3.356 1.00 0.00 C ATOM 85 CD1 TRP A 6 19.040 1.912 -4.620 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.435 1.020 -3.352 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.931 1.749 -5.389 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.937 1.199 -4.643 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.599 0.469 -2.386 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.648 0.851 -4.997 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.314 0.120 -2.743 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.852 0.314 -4.035 1.00 0.00 C ATOM 0 H TRP A 6 20.988 0.438 -4.043 1.00 0.00 H new ATOM 0 HA TRP A 6 21.302 0.436 -1.232 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.173 1.722 -1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.418 2.375 -2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.981 2.315 -4.965 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.856 2.001 -6.375 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.950 0.318 -1.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.285 1.000 -6.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.656 -0.312 -2.003 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.839 0.033 -4.283 1.00 0.00 H new ATOM 103 N HIS A 7 19.604 -1.984 -2.292 1.00 0.00 N ATOM 104 CA HIS A 7 18.786 -3.140 -1.899 1.00 0.00 C ATOM 105 C HIS A 7 19.303 -3.764 -0.585 1.00 0.00 C ATOM 106 O HIS A 7 18.600 -4.504 0.084 1.00 0.00 O ATOM 107 CB HIS A 7 18.693 -4.209 -3.024 1.00 0.00 C ATOM 108 CG HIS A 7 19.900 -5.102 -3.199 1.00 0.00 C ATOM 109 ND1 HIS A 7 19.864 -6.459 -2.997 1.00 0.00 N ATOM 110 CD2 HIS A 7 21.171 -4.821 -3.580 1.00 0.00 C ATOM 111 CE1 HIS A 7 21.065 -6.947 -3.249 1.00 0.00 C ATOM 112 NE2 HIS A 7 21.906 -5.998 -3.611 1.00 0.00 N ATOM 0 H HIS A 7 20.099 -2.097 -3.177 1.00 0.00 H new ATOM 0 HA HIS A 7 17.775 -2.769 -1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.826 -4.840 -2.826 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.506 -3.697 -3.968 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.550 -3.839 -3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.326 -7.992 -3.169 1.00 0.00 H new ATOM 0 HE2 HIS A 7 22.889 -6.106 -3.861 1.00 0.00 H new ATOM 120 N GLU A 8 20.531 -3.439 -0.219 1.00 0.00 N ATOM 121 CA GLU A 8 21.111 -3.923 1.021 1.00 0.00 C ATOM 122 C GLU A 8 20.467 -3.217 2.225 1.00 0.00 C ATOM 123 O GLU A 8 20.450 -3.742 3.328 1.00 0.00 O ATOM 124 CB GLU A 8 22.627 -3.705 1.026 1.00 0.00 C ATOM 125 CG GLU A 8 23.029 -2.256 0.896 1.00 0.00 C ATOM 126 CD GLU A 8 24.508 -2.038 0.959 1.00 0.00 C ATOM 127 OE1 GLU A 8 25.040 -1.856 2.058 1.00 0.00 O ATOM 128 OE2 GLU A 8 25.167 -2.001 -0.113 1.00 0.00 O ATOM 0 H GLU A 8 21.148 -2.839 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 8 20.915 -4.992 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 8 23.040 -4.107 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 8 23.070 -4.271 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.652 -1.866 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.551 -1.682 1.690 1.00 0.00 H new ATOM 135 N HIS A 9 19.894 -2.047 1.981 1.00 0.00 N ATOM 136 CA HIS A 9 19.308 -1.223 3.039 1.00 0.00 C ATOM 137 C HIS A 9 17.812 -1.453 3.139 1.00 0.00 C ATOM 138 O HIS A 9 17.122 -0.792 3.913 1.00 0.00 O ATOM 139 CB HIS A 9 19.560 0.274 2.779 1.00 0.00 C ATOM 140 CG HIS A 9 21.002 0.690 2.738 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.842 0.781 1.683 1.00 0.00 N flip ATOM 142 CD2 HIS A 9 21.732 1.098 3.833 1.00 0.00 C flip ATOM 143 CE1 HIS A 9 23.077 1.246 2.109 1.00 0.00 C flip ATOM 144 NE2 HIS A 9 22.959 1.420 3.412 1.00 0.00 N flip ATOM 0 H HIS A 9 19.820 -1.640 1.049 1.00 0.00 H new ATOM 0 HA HIS A 9 19.786 -1.514 3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.095 0.543 1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.056 0.849 3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.376 1.149 4.851 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.952 1.428 1.502 1.00 0.00 H new ATOM 0 HE2 HIS A 9 23.707 1.756 4.019 1.00 0.00 H new ATOM 152 N VAL A 10 17.307 -2.357 2.346 1.00 0.00 N ATOM 153 CA VAL A 10 15.901 -2.659 2.350 1.00 0.00 C ATOM 154 C VAL A 10 15.691 -4.152 2.359 1.00 0.00 C ATOM 155 O VAL A 10 16.117 -4.868 1.459 1.00 0.00 O ATOM 156 CB VAL A 10 15.146 -1.981 1.167 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.738 -2.350 -0.176 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.652 -2.273 1.207 1.00 0.00 C ATOM 0 H VAL A 10 17.855 -2.903 1.681 1.00 0.00 H new ATOM 0 HA VAL A 10 15.474 -2.242 3.262 1.00 0.00 H new ATOM 0 HB VAL A 10 15.276 -0.906 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.179 -1.854 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.780 -2.033 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.682 -3.430 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.163 -1.782 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.490 -3.349 1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.233 -1.897 2.140 1.00 0.00 H new ATOM 168 N THR A 11 15.096 -4.625 3.381 1.00 0.00 N ATOM 169 CA THR A 11 14.863 -6.003 3.498 1.00 0.00 C ATOM 170 C THR A 11 13.502 -6.405 3.078 1.00 0.00 C ATOM 171 O THR A 11 12.612 -5.545 2.886 1.00 0.00 O ATOM 172 CB THR A 11 15.148 -6.465 4.883 1.00 0.00 C ATOM 173 OG1 THR A 11 14.820 -5.428 5.840 1.00 0.00 O ATOM 174 CG2 THR A 11 16.567 -6.876 4.961 1.00 0.00 C ATOM 0 H THR A 11 14.756 -4.064 4.162 1.00 0.00 H new ATOM 0 HA THR A 11 15.550 -6.493 2.808 1.00 0.00 H new ATOM 0 HB THR A 11 14.526 -7.325 5.133 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.218 -5.791 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.792 -7.218 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.751 -7.686 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.206 -6.028 4.714 1.00 0.00 H new ATOM 182 N GLN A 12 13.328 -7.712 2.946 1.00 0.00 N ATOM 183 CA GLN A 12 12.091 -8.294 2.539 1.00 0.00 C ATOM 184 C GLN A 12 10.993 -7.861 3.478 1.00 0.00 C ATOM 185 O GLN A 12 9.951 -7.458 3.046 1.00 0.00 O ATOM 186 CB GLN A 12 12.173 -9.794 2.565 1.00 0.00 C ATOM 187 CG GLN A 12 10.927 -10.448 1.992 1.00 0.00 C ATOM 188 CD GLN A 12 10.712 -11.857 2.454 1.00 0.00 C ATOM 189 OE1 GLN A 12 10.999 -12.115 3.690 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 10.200 -12.686 1.715 1.00 0.00 N flip ATOM 0 H GLN A 12 14.064 -8.395 3.125 1.00 0.00 H new ATOM 0 HA GLN A 12 11.878 -7.961 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.045 -10.118 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.318 -10.130 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.057 -9.850 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.992 -10.439 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.989 -12.445 0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.984 -13.619 2.067 1.00 0.00 H new ATOM 199 N ASP A 13 11.267 -7.925 4.761 1.00 0.00 N ATOM 200 CA ASP A 13 10.300 -7.535 5.791 1.00 0.00 C ATOM 201 C ASP A 13 9.790 -6.118 5.603 1.00 0.00 C ATOM 202 O ASP A 13 8.616 -5.882 5.751 1.00 0.00 O ATOM 203 CB ASP A 13 10.852 -7.689 7.219 1.00 0.00 C ATOM 204 CG ASP A 13 11.950 -6.707 7.586 1.00 0.00 C ATOM 205 OD1 ASP A 13 13.118 -6.948 7.210 1.00 0.00 O ATOM 206 OD2 ASP A 13 11.670 -5.701 8.284 1.00 0.00 O ATOM 0 H ASP A 13 12.161 -8.247 5.131 1.00 0.00 H new ATOM 0 HA ASP A 13 9.467 -8.227 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.030 -7.574 7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.235 -8.702 7.338 1.00 0.00 H new ATOM 211 N LEU A 14 10.653 -5.203 5.176 1.00 0.00 N ATOM 212 CA LEU A 14 10.258 -3.799 5.062 1.00 0.00 C ATOM 213 C LEU A 14 9.348 -3.653 3.868 1.00 0.00 C ATOM 214 O LEU A 14 8.247 -3.107 3.962 1.00 0.00 O ATOM 215 CB LEU A 14 11.523 -2.877 4.959 1.00 0.00 C ATOM 216 CG LEU A 14 11.339 -1.317 4.867 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.921 -0.874 3.493 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.332 -0.803 5.874 1.00 0.00 C ATOM 0 H LEU A 14 11.617 -5.401 4.906 1.00 0.00 H new ATOM 0 HA LEU A 14 9.717 -3.484 5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.148 -3.082 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.086 -3.192 4.080 1.00 0.00 H new ATOM 0 HG LEU A 14 12.318 -0.894 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.807 0.210 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.681 -1.168 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.972 -1.342 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.237 0.278 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.364 -1.270 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.669 -1.046 6.882 1.00 0.00 H new ATOM 230 N ARG A 15 9.785 -4.210 2.778 1.00 0.00 N ATOM 231 CA ARG A 15 9.067 -4.118 1.539 1.00 0.00 C ATOM 232 C ARG A 15 7.765 -4.909 1.561 1.00 0.00 C ATOM 233 O ARG A 15 6.731 -4.420 1.144 1.00 0.00 O ATOM 234 CB ARG A 15 9.961 -4.522 0.386 1.00 0.00 C ATOM 235 CG ARG A 15 10.600 -5.871 0.495 1.00 0.00 C ATOM 236 CD ARG A 15 11.614 -6.042 -0.584 1.00 0.00 C ATOM 237 NE ARG A 15 10.975 -5.850 -1.922 1.00 0.00 N ATOM 238 CZ ARG A 15 11.327 -6.410 -3.085 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.418 -7.153 -3.179 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.567 -6.207 -4.156 1.00 0.00 N ATOM 0 H ARG A 15 10.653 -4.743 2.721 1.00 0.00 H new ATOM 0 HA ARG A 15 8.778 -3.077 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.373 -4.493 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.749 -3.776 0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.073 -5.981 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.841 -6.650 0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.423 -5.323 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.058 -7.036 -0.523 1.00 0.00 H new ATOM 0 HE ARG A 15 10.176 -5.217 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.004 -7.305 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.673 -7.573 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.728 -5.631 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.822 -6.627 -5.050 1.00 0.00 H new ATOM 254 N SER A 16 7.811 -6.091 2.129 1.00 0.00 N ATOM 255 CA SER A 16 6.665 -6.956 2.220 1.00 0.00 C ATOM 256 C SER A 16 5.679 -6.379 3.248 1.00 0.00 C ATOM 257 O SER A 16 4.473 -6.641 3.199 1.00 0.00 O ATOM 258 CB SER A 16 7.122 -8.384 2.591 1.00 0.00 C ATOM 259 OG SER A 16 6.062 -9.334 2.559 1.00 0.00 O ATOM 0 H SER A 16 8.657 -6.481 2.545 1.00 0.00 H new ATOM 0 HA SER A 16 6.153 -7.015 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.906 -8.699 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.561 -8.371 3.589 1.00 0.00 H new ATOM 0 HG SER A 16 6.408 -10.219 2.800 1.00 0.00 H new ATOM 265 N HIS A 17 6.193 -5.571 4.167 1.00 0.00 N ATOM 266 CA HIS A 17 5.348 -4.895 5.122 1.00 0.00 C ATOM 267 C HIS A 17 4.578 -3.784 4.399 1.00 0.00 C ATOM 268 O HIS A 17 3.395 -3.551 4.657 1.00 0.00 O ATOM 269 CB HIS A 17 6.182 -4.301 6.251 1.00 0.00 C ATOM 270 CG HIS A 17 5.383 -3.911 7.428 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.187 -4.715 8.522 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.701 -2.786 7.663 1.00 0.00 C ATOM 273 CE1 HIS A 17 4.404 -4.070 9.367 1.00 0.00 C ATOM 274 NE2 HIS A 17 4.075 -2.885 8.891 1.00 0.00 N ATOM 0 H HIS A 17 7.189 -5.373 4.265 1.00 0.00 H new ATOM 0 HA HIS A 17 4.650 -5.610 5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.935 -5.027 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.715 -3.427 5.877 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.578 -5.647 8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.648 -1.936 6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.077 -4.460 10.319 1.00 0.00 H new ATOM 282 N LEU A 18 5.258 -3.107 3.497 1.00 0.00 N ATOM 283 CA LEU A 18 4.633 -2.093 2.666 1.00 0.00 C ATOM 284 C LEU A 18 3.637 -2.747 1.711 1.00 0.00 C ATOM 285 O LEU A 18 2.580 -2.189 1.450 1.00 0.00 O ATOM 286 CB LEU A 18 5.697 -1.254 1.937 1.00 0.00 C ATOM 287 CG LEU A 18 6.372 -0.077 2.725 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.399 -0.300 4.228 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.785 0.043 2.277 1.00 0.00 C ATOM 0 H LEU A 18 6.253 -3.241 3.318 1.00 0.00 H new ATOM 0 HA LEU A 18 4.073 -1.400 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.485 -1.929 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.237 -0.836 1.041 1.00 0.00 H new ATOM 0 HG LEU A 18 5.783 0.817 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.879 0.550 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.379 -0.402 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.959 -1.208 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.269 0.858 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.311 -0.890 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.811 0.249 1.207 1.00 0.00 H new ATOM 301 N VAL A 19 3.967 -3.959 1.232 1.00 0.00 N ATOM 302 CA VAL A 19 3.031 -4.776 0.434 1.00 0.00 C ATOM 303 C VAL A 19 1.764 -5.043 1.270 1.00 0.00 C ATOM 304 O VAL A 19 0.637 -4.983 0.766 1.00 0.00 O ATOM 305 CB VAL A 19 3.659 -6.163 0.002 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.665 -7.018 -0.734 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.863 -5.987 -0.882 1.00 0.00 C ATOM 0 H VAL A 19 4.876 -4.397 1.383 1.00 0.00 H new ATOM 0 HA VAL A 19 2.797 -4.220 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 19 3.956 -6.653 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.133 -7.962 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.808 -7.215 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.332 -6.498 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.261 -6.965 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.576 -5.448 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.626 -5.420 -0.349 1.00 0.00 H new ATOM 317 N HIS A 20 1.970 -5.308 2.554 1.00 0.00 N ATOM 318 CA HIS A 20 0.885 -5.563 3.487 1.00 0.00 C ATOM 319 C HIS A 20 -0.008 -4.322 3.599 1.00 0.00 C ATOM 320 O HIS A 20 -1.228 -4.424 3.556 1.00 0.00 O ATOM 321 CB HIS A 20 1.439 -5.972 4.865 1.00 0.00 C ATOM 322 CG HIS A 20 0.414 -6.538 5.801 1.00 0.00 C ATOM 323 ND1 HIS A 20 -0.144 -5.857 6.860 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.140 -7.769 5.822 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.996 -6.674 7.469 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.034 -7.851 6.879 1.00 0.00 N ATOM 0 H HIS A 20 2.897 -5.352 2.977 1.00 0.00 H new ATOM 0 HA HIS A 20 0.283 -6.391 3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.229 -6.709 4.721 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.898 -5.100 5.332 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.079 -8.565 5.125 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.582 -6.408 8.336 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.603 -8.655 7.144 1.00 0.00 H new ATOM 334 N LYS A 21 0.605 -3.143 3.705 1.00 0.00 N ATOM 335 CA LYS A 21 -0.174 -1.912 3.737 1.00 0.00 C ATOM 336 C LYS A 21 -0.830 -1.617 2.417 1.00 0.00 C ATOM 337 O LYS A 21 -1.926 -1.086 2.399 1.00 0.00 O ATOM 338 CB LYS A 21 0.584 -0.684 4.217 1.00 0.00 C ATOM 339 CG LYS A 21 0.599 -0.493 5.719 1.00 0.00 C ATOM 340 CD LYS A 21 1.581 -1.387 6.432 1.00 0.00 C ATOM 341 CE LYS A 21 1.603 -1.050 7.923 1.00 0.00 C ATOM 342 NZ LYS A 21 0.276 -1.193 8.588 1.00 0.00 N ATOM 0 H LYS A 21 1.615 -3.018 3.769 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.939 -2.116 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.613 -0.748 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.143 0.200 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.839 0.547 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.401 -0.681 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.304 -2.432 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.577 -1.260 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.322 -1.699 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.955 -0.026 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.371 -0.982 9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.401 -0.530 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.069 -2.167 8.468 1.00 0.00 H new ATOM 356 N LEU A 22 -0.153 -1.936 1.314 1.00 0.00 N ATOM 357 CA LEU A 22 -0.737 -1.790 -0.020 1.00 0.00 C ATOM 358 C LEU A 22 -2.046 -2.548 -0.079 1.00 0.00 C ATOM 359 O LEU A 22 -3.047 -2.030 -0.557 1.00 0.00 O ATOM 360 CB LEU A 22 0.242 -2.249 -1.117 1.00 0.00 C ATOM 361 CG LEU A 22 1.424 -1.304 -1.411 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.449 -1.978 -2.302 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.925 -0.065 -2.112 1.00 0.00 C ATOM 0 H LEU A 22 0.801 -2.297 1.318 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.936 -0.735 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.643 -3.222 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.320 -2.393 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 22 1.889 -1.043 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.272 -1.290 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.830 -2.871 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.982 -2.258 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.764 0.600 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.446 -0.346 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.204 0.448 -1.476 1.00 0.00 H new ATOM 375 N VAL A 23 -2.027 -3.746 0.478 1.00 0.00 N ATOM 376 CA VAL A 23 -3.209 -4.559 0.637 1.00 0.00 C ATOM 377 C VAL A 23 -4.246 -3.877 1.547 1.00 0.00 C ATOM 378 O VAL A 23 -5.384 -3.742 1.163 1.00 0.00 O ATOM 379 CB VAL A 23 -2.876 -5.977 1.180 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.143 -6.685 1.629 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.217 -6.795 0.091 1.00 0.00 C ATOM 0 H VAL A 23 -1.177 -4.183 0.835 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.640 -4.672 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.202 -5.873 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.892 -7.676 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.622 -6.107 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.825 -6.781 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.984 -7.789 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.894 -6.882 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.297 -6.304 -0.227 1.00 0.00 H new ATOM 391 N GLN A 24 -3.836 -3.414 2.728 1.00 0.00 N ATOM 392 CA GLN A 24 -4.801 -2.812 3.668 1.00 0.00 C ATOM 393 C GLN A 24 -5.395 -1.498 3.120 1.00 0.00 C ATOM 394 O GLN A 24 -6.441 -1.039 3.582 1.00 0.00 O ATOM 395 CB GLN A 24 -4.213 -2.548 5.068 1.00 0.00 C ATOM 396 CG GLN A 24 -3.464 -3.708 5.734 1.00 0.00 C ATOM 397 CD GLN A 24 -3.356 -3.536 7.256 1.00 0.00 C ATOM 398 OE1 GLN A 24 -4.414 -3.069 7.890 1.00 0.00 O flip ATOM 399 NE2 GLN A 24 -2.360 -3.913 7.863 1.00 0.00 N flip ATOM 0 H GLN A 24 -2.871 -3.439 3.057 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.590 -3.558 3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.531 -1.701 4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.027 -2.247 5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.977 -4.644 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.464 -3.784 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.554 -4.270 7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.337 -3.870 8.882 1.00 0.00 H new ATOM 408 N ALA A 25 -4.696 -0.871 2.203 1.00 0.00 N ATOM 409 CA ALA A 25 -5.172 0.331 1.578 1.00 0.00 C ATOM 410 C ALA A 25 -6.138 0.039 0.458 1.00 0.00 C ATOM 411 O ALA A 25 -7.179 0.669 0.368 1.00 0.00 O ATOM 412 CB ALA A 25 -4.024 1.059 1.027 1.00 0.00 C ATOM 0 H ALA A 25 -3.783 -1.183 1.873 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.694 0.920 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.370 1.975 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.331 1.309 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.516 0.435 0.292 1.00 0.00 H new ATOM 418 N ILE A 26 -5.784 -0.912 -0.399 1.00 0.00 N ATOM 419 CA ILE A 26 -6.633 -1.260 -1.534 1.00 0.00 C ATOM 420 C ILE A 26 -7.871 -1.976 -1.021 1.00 0.00 C ATOM 421 O ILE A 26 -8.967 -1.900 -1.597 1.00 0.00 O ATOM 422 CB ILE A 26 -5.882 -2.171 -2.575 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.774 -2.464 -3.768 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.398 -3.474 -1.963 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.222 -3.506 -4.698 1.00 0.00 C ATOM 0 H ILE A 26 -4.922 -1.453 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.910 -0.340 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.004 -1.615 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.749 -2.792 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.934 -1.541 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.887 -4.065 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.709 -3.259 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.251 -4.035 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.916 -3.660 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.260 -3.173 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.089 -4.443 -4.157 1.00 0.00 H new ATOM 437 N PHE A 27 -7.677 -2.635 0.070 1.00 0.00 N ATOM 438 CA PHE A 27 -8.666 -3.377 0.708 1.00 0.00 C ATOM 439 C PHE A 27 -8.714 -2.976 2.167 1.00 0.00 C ATOM 440 O PHE A 27 -7.936 -3.495 2.984 1.00 0.00 O ATOM 441 CB PHE A 27 -8.323 -4.848 0.584 1.00 0.00 C ATOM 442 CG PHE A 27 -9.280 -5.782 1.228 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.498 -6.027 0.662 1.00 0.00 C ATOM 444 CD2 PHE A 27 -8.952 -6.400 2.416 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.389 -6.876 1.262 1.00 0.00 C ATOM 446 CE2 PHE A 27 -9.835 -7.246 3.026 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.063 -7.485 2.445 1.00 0.00 C ATOM 0 H PHE A 27 -6.777 -2.661 0.549 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.639 -3.192 0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.253 -5.099 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.336 -5.011 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -10.761 -5.546 -0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.989 -6.214 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.348 -7.065 0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.573 -7.725 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.766 -8.151 2.922 1.00 0.00 H new ATOM 457 N PRO A 28 -9.521 -1.959 2.510 1.00 0.00 N ATOM 458 CA PRO A 28 -9.793 -1.631 3.890 1.00 0.00 C ATOM 459 C PRO A 28 -10.267 -2.876 4.591 1.00 0.00 C ATOM 460 O PRO A 28 -11.164 -3.578 4.104 1.00 0.00 O ATOM 461 CB PRO A 28 -10.903 -0.590 3.807 1.00 0.00 C ATOM 462 CG PRO A 28 -11.377 -0.673 2.398 1.00 0.00 C ATOM 463 CD PRO A 28 -10.183 -1.027 1.605 1.00 0.00 C ATOM 0 HA PRO A 28 -8.930 -1.256 4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.706 -0.807 4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.532 0.407 4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.158 -1.425 2.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.800 0.276 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.442 -1.489 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.564 -0.159 1.380 1.00 0.00 H new ATOM 471 N THR A 29 -9.669 -3.155 5.687 1.00 0.00 N ATOM 472 CA THR A 29 -9.847 -4.396 6.328 1.00 0.00 C ATOM 473 C THR A 29 -11.032 -4.464 7.253 1.00 0.00 C ATOM 474 O THR A 29 -11.109 -3.731 8.212 1.00 0.00 O ATOM 475 CB THR A 29 -8.578 -4.751 7.067 1.00 0.00 C ATOM 476 OG1 THR A 29 -7.791 -3.551 7.267 1.00 0.00 O ATOM 477 CG2 THR A 29 -7.809 -5.723 6.263 1.00 0.00 C ATOM 0 H THR A 29 -9.034 -2.518 6.169 1.00 0.00 H new ATOM 0 HA THR A 29 -10.063 -5.122 5.544 1.00 0.00 H new ATOM 0 HB THR A 29 -8.820 -5.189 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.967 -3.776 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.891 -5.985 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.407 -6.621 6.108 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.561 -5.281 5.298 1.00 0.00 H new ATOM 485 N PRO A 30 -11.999 -5.333 6.961 1.00 0.00 N ATOM 486 CA PRO A 30 -13.086 -5.569 7.880 1.00 0.00 C ATOM 487 C PRO A 30 -12.601 -6.495 8.998 1.00 0.00 C ATOM 488 O PRO A 30 -13.112 -6.481 10.128 1.00 0.00 O ATOM 489 CB PRO A 30 -14.156 -6.245 7.014 1.00 0.00 C ATOM 490 CG PRO A 30 -13.415 -6.881 5.884 1.00 0.00 C ATOM 491 CD PRO A 30 -12.143 -6.096 5.697 1.00 0.00 C ATOM 0 HA PRO A 30 -13.466 -4.668 8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.711 -6.988 7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.881 -5.518 6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.195 -7.925 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.014 -6.868 4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.290 -6.753 5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.208 -5.431 4.835 1.00 0.00 H new ATOM 499 N ASP A 31 -11.565 -7.257 8.673 1.00 0.00 N ATOM 500 CA ASP A 31 -10.962 -8.208 9.571 1.00 0.00 C ATOM 501 C ASP A 31 -9.681 -8.705 8.949 1.00 0.00 C ATOM 502 O ASP A 31 -9.606 -8.809 7.710 1.00 0.00 O ATOM 503 CB ASP A 31 -11.880 -9.397 9.757 1.00 0.00 C ATOM 504 CG ASP A 31 -11.428 -10.317 10.854 1.00 0.00 C ATOM 505 OD1 ASP A 31 -11.739 -10.059 12.029 1.00 0.00 O ATOM 506 OD2 ASP A 31 -10.752 -11.292 10.567 1.00 0.00 O ATOM 0 H ASP A 31 -11.118 -7.224 7.757 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.777 -7.729 10.532 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.886 -9.042 9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.938 -9.955 8.822 1.00 0.00 H new ATOM 511 N PRO A 32 -8.648 -8.983 9.754 1.00 0.00 N ATOM 512 CA PRO A 32 -7.402 -9.565 9.269 1.00 0.00 C ATOM 513 C PRO A 32 -7.593 -10.923 8.537 1.00 0.00 C ATOM 514 O PRO A 32 -6.739 -11.337 7.754 1.00 0.00 O ATOM 515 CB PRO A 32 -6.565 -9.783 10.534 1.00 0.00 C ATOM 516 CG PRO A 32 -7.496 -9.595 11.681 1.00 0.00 C ATOM 517 CD PRO A 32 -8.571 -8.681 11.199 1.00 0.00 C ATOM 0 HA PRO A 32 -6.941 -8.905 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.129 -10.782 10.546 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.739 -9.074 10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.912 -10.549 12.005 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.976 -9.167 12.538 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.519 -8.874 11.702 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.321 -7.635 11.379 1.00 0.00 H new ATOM 525 N ALA A 33 -8.703 -11.611 8.765 1.00 0.00 N ATOM 526 CA ALA A 33 -8.917 -12.899 8.113 1.00 0.00 C ATOM 527 C ALA A 33 -9.349 -12.753 6.654 1.00 0.00 C ATOM 528 O ALA A 33 -9.332 -13.717 5.890 1.00 0.00 O ATOM 529 CB ALA A 33 -9.871 -13.791 8.881 1.00 0.00 C ATOM 0 H ALA A 33 -9.456 -11.309 9.383 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.945 -13.393 8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.993 -14.735 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.469 -13.983 9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.839 -13.297 8.970 1.00 0.00 H new ATOM 535 N ALA A 34 -9.695 -11.556 6.245 1.00 0.00 N ATOM 536 CA ALA A 34 -10.034 -11.328 4.848 1.00 0.00 C ATOM 537 C ALA A 34 -8.746 -11.190 4.036 1.00 0.00 C ATOM 538 O ALA A 34 -8.757 -11.153 2.800 1.00 0.00 O ATOM 539 CB ALA A 34 -10.921 -10.113 4.695 1.00 0.00 C ATOM 0 H ALA A 34 -9.751 -10.732 6.844 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.599 -12.180 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.159 -9.966 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.843 -10.262 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.402 -9.233 5.076 1.00 0.00 H new ATOM 545 N LEU A 35 -7.634 -11.168 4.762 1.00 0.00 N ATOM 546 CA LEU A 35 -6.302 -11.062 4.201 1.00 0.00 C ATOM 547 C LEU A 35 -5.747 -12.462 3.919 1.00 0.00 C ATOM 548 O LEU A 35 -4.586 -12.623 3.602 1.00 0.00 O ATOM 549 CB LEU A 35 -5.386 -10.328 5.182 1.00 0.00 C ATOM 550 CG LEU A 35 -5.888 -8.993 5.677 1.00 0.00 C ATOM 551 CD1 LEU A 35 -5.050 -8.540 6.849 1.00 0.00 C ATOM 552 CD2 LEU A 35 -5.840 -7.978 4.563 1.00 0.00 C ATOM 0 H LEU A 35 -7.639 -11.225 5.780 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.348 -10.501 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.217 -10.973 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.419 -10.176 4.703 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.923 -9.093 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.414 -7.576 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.121 -9.274 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.010 -8.443 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.204 -7.018 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.813 -7.868 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.468 -8.313 3.738 1.00 0.00 H new ATOM 564 N LYS A 36 -6.579 -13.477 4.077 1.00 0.00 N ATOM 565 CA LYS A 36 -6.183 -14.844 3.738 1.00 0.00 C ATOM 566 C LYS A 36 -7.256 -15.472 2.850 1.00 0.00 C ATOM 567 O LYS A 36 -7.276 -16.676 2.608 1.00 0.00 O ATOM 568 CB LYS A 36 -5.921 -15.681 5.011 1.00 0.00 C ATOM 569 CG LYS A 36 -7.124 -15.846 5.930 1.00 0.00 C ATOM 570 CD LYS A 36 -6.771 -16.566 7.232 1.00 0.00 C ATOM 571 CE LYS A 36 -5.783 -15.759 8.068 1.00 0.00 C ATOM 572 NZ LYS A 36 -5.440 -16.414 9.343 1.00 0.00 N ATOM 0 H LYS A 36 -7.530 -13.387 4.436 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.244 -14.823 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.572 -16.670 4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.113 -15.215 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.538 -14.864 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.902 -16.405 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.679 -16.742 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.344 -17.543 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.872 -15.600 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.207 -14.776 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.766 -15.821 9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.302 -16.543 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.009 -17.341 9.152 1.00 0.00 H new ATOM 586 N ASP A 37 -8.102 -14.607 2.324 1.00 0.00 N ATOM 587 CA ASP A 37 -9.241 -14.965 1.467 1.00 0.00 C ATOM 588 C ASP A 37 -8.760 -15.178 0.030 1.00 0.00 C ATOM 589 O ASP A 37 -7.591 -14.968 -0.267 1.00 0.00 O ATOM 590 CB ASP A 37 -10.219 -13.793 1.529 1.00 0.00 C ATOM 591 CG ASP A 37 -11.444 -13.892 0.679 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.374 -14.589 1.032 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.474 -13.231 -0.362 1.00 0.00 O ATOM 0 H ASP A 37 -8.022 -13.602 2.480 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.716 -15.887 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.534 -13.668 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.682 -12.887 1.247 1.00 0.00 H new ATOM 598 N ARG A 38 -9.642 -15.575 -0.852 1.00 0.00 N ATOM 599 CA ARG A 38 -9.288 -15.773 -2.245 1.00 0.00 C ATOM 600 C ARG A 38 -9.030 -14.433 -2.933 1.00 0.00 C ATOM 601 O ARG A 38 -8.242 -14.344 -3.869 1.00 0.00 O ATOM 602 CB ARG A 38 -10.355 -16.583 -2.977 1.00 0.00 C ATOM 603 CG ARG A 38 -11.607 -15.826 -3.439 1.00 0.00 C ATOM 604 CD ARG A 38 -12.535 -15.500 -2.297 1.00 0.00 C ATOM 605 NE ARG A 38 -13.138 -16.715 -1.724 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.242 -16.750 -0.962 1.00 0.00 C ATOM 607 NH1 ARG A 38 -14.848 -15.620 -0.590 1.00 0.00 N ATOM 608 NH2 ARG A 38 -14.727 -17.924 -0.569 1.00 0.00 N ATOM 0 H ARG A 38 -10.619 -15.770 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.364 -16.349 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.893 -17.040 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.672 -17.395 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.308 -14.903 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.140 -16.426 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.985 -14.966 -1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.323 -14.833 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.678 -17.604 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.472 -14.719 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.687 -15.658 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.260 -18.787 -0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.566 -17.961 0.010 1.00 0.00 H new ATOM 622 N ARG A 39 -9.666 -13.377 -2.438 1.00 0.00 N ATOM 623 CA ARG A 39 -9.456 -12.050 -2.973 1.00 0.00 C ATOM 624 C ARG A 39 -8.080 -11.540 -2.545 1.00 0.00 C ATOM 625 O ARG A 39 -7.522 -10.639 -3.155 1.00 0.00 O ATOM 626 CB ARG A 39 -10.612 -11.116 -2.548 1.00 0.00 C ATOM 627 CG ARG A 39 -10.466 -9.652 -2.949 1.00 0.00 C ATOM 628 CD ARG A 39 -11.794 -8.887 -2.864 1.00 0.00 C ATOM 629 NE ARG A 39 -12.488 -9.006 -1.574 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.406 -8.124 -1.124 1.00 0.00 C ATOM 631 NH1 ARG A 39 -13.694 -7.031 -1.834 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.048 -8.349 0.018 1.00 0.00 N ATOM 0 H ARG A 39 -10.331 -13.421 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.464 -12.074 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.539 -11.499 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.715 -11.167 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.731 -9.172 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.081 -9.594 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.604 -7.832 -3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.456 -9.246 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.262 -9.805 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.220 -6.859 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.388 -6.368 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.848 -9.191 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.741 -7.680 0.354 1.00 0.00 H new ATOM 646 N MET A 40 -7.514 -12.186 -1.531 1.00 0.00 N ATOM 647 CA MET A 40 -6.182 -11.865 -1.048 1.00 0.00 C ATOM 648 C MET A 40 -5.128 -12.109 -2.090 1.00 0.00 C ATOM 649 O MET A 40 -4.318 -11.232 -2.327 1.00 0.00 O ATOM 650 CB MET A 40 -5.862 -12.595 0.274 1.00 0.00 C ATOM 651 CG MET A 40 -4.366 -12.868 0.588 1.00 0.00 C ATOM 652 SD MET A 40 -3.265 -11.430 0.473 1.00 0.00 S ATOM 653 CE MET A 40 -4.157 -10.202 1.392 1.00 0.00 C ATOM 0 H MET A 40 -7.968 -12.946 -1.023 1.00 0.00 H new ATOM 0 HA MET A 40 -6.172 -10.796 -0.836 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.278 -12.009 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.386 -13.551 0.268 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.294 -13.279 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.004 -13.636 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.472 -9.403 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.035 -10.657 1.851 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.513 -9.791 2.170 1.00 0.00 H new ATOM 663 N GLU A 41 -5.178 -13.250 -2.780 1.00 0.00 N ATOM 664 CA GLU A 41 -4.103 -13.553 -3.746 1.00 0.00 C ATOM 665 C GLU A 41 -4.101 -12.501 -4.866 1.00 0.00 C ATOM 666 O GLU A 41 -3.060 -12.112 -5.367 1.00 0.00 O ATOM 667 CB GLU A 41 -4.214 -14.979 -4.306 1.00 0.00 C ATOM 668 CG GLU A 41 -5.347 -15.186 -5.272 1.00 0.00 C ATOM 669 CD GLU A 41 -5.519 -16.627 -5.667 1.00 0.00 C ATOM 670 OE1 GLU A 41 -4.846 -17.083 -6.624 1.00 0.00 O ATOM 671 OE2 GLU A 41 -6.323 -17.336 -5.030 1.00 0.00 O ATOM 0 H GLU A 41 -5.911 -13.954 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.149 -13.507 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.278 -15.233 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.332 -15.674 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.272 -14.824 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.171 -14.587 -6.166 1.00 0.00 H new ATOM 678 N ASN A 42 -5.295 -12.000 -5.147 1.00 0.00 N ATOM 679 CA ASN A 42 -5.562 -10.948 -6.125 1.00 0.00 C ATOM 680 C ASN A 42 -4.954 -9.614 -5.645 1.00 0.00 C ATOM 681 O ASN A 42 -4.214 -8.933 -6.373 1.00 0.00 O ATOM 682 CB ASN A 42 -7.104 -10.839 -6.247 1.00 0.00 C ATOM 683 CG ASN A 42 -7.625 -9.649 -7.031 1.00 0.00 C ATOM 684 OD1 ASN A 42 -7.822 -9.719 -8.233 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.911 -8.564 -6.332 1.00 0.00 N ATOM 0 H ASN A 42 -6.142 -12.327 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.114 -11.178 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.477 -11.750 -6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.527 -10.801 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.310 -7.749 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.732 -8.542 -5.328 1.00 0.00 H new ATOM 692 N LEU A 43 -5.242 -9.282 -4.399 1.00 0.00 N ATOM 693 CA LEU A 43 -4.797 -8.034 -3.786 1.00 0.00 C ATOM 694 C LEU A 43 -3.300 -8.014 -3.599 1.00 0.00 C ATOM 695 O LEU A 43 -2.645 -7.022 -3.908 1.00 0.00 O ATOM 696 CB LEU A 43 -5.473 -7.843 -2.436 1.00 0.00 C ATOM 697 CG LEU A 43 -6.990 -7.795 -2.460 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.542 -7.791 -1.050 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.493 -6.593 -3.253 1.00 0.00 C ATOM 0 H LEU A 43 -5.795 -9.872 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.073 -7.221 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.164 -8.655 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.106 -6.917 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.350 -8.692 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.631 -7.756 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.224 -8.696 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.169 -6.918 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.583 -6.587 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.124 -5.675 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.132 -6.657 -4.279 1.00 0.00 H new ATOM 711 N VAL A 44 -2.753 -9.109 -3.113 1.00 0.00 N ATOM 712 CA VAL A 44 -1.346 -9.169 -2.853 1.00 0.00 C ATOM 713 C VAL A 44 -0.572 -9.224 -4.163 1.00 0.00 C ATOM 714 O VAL A 44 0.523 -8.710 -4.240 1.00 0.00 O ATOM 715 CB VAL A 44 -0.946 -10.330 -1.890 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.990 -11.700 -2.548 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.391 -10.057 -1.220 1.00 0.00 C ATOM 0 H VAL A 44 -3.267 -9.962 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.076 -8.254 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.707 -10.359 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.701 -12.461 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.001 -11.901 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.300 -11.721 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.641 -10.884 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.165 -9.956 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.327 -9.135 -0.643 1.00 0.00 H new ATOM 727 N ALA A 45 -1.176 -9.816 -5.204 1.00 0.00 N ATOM 728 CA ALA A 45 -0.574 -9.846 -6.538 1.00 0.00 C ATOM 729 C ALA A 45 -0.376 -8.413 -7.021 1.00 0.00 C ATOM 730 O ALA A 45 0.720 -8.020 -7.456 1.00 0.00 O ATOM 731 CB ALA A 45 -1.470 -10.616 -7.503 1.00 0.00 C ATOM 0 H ALA A 45 -2.082 -10.280 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 45 0.391 -10.352 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.011 -10.631 -8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.596 -11.638 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.444 -10.130 -7.562 1.00 0.00 H new ATOM 737 N TYR A 46 -1.436 -7.631 -6.890 1.00 0.00 N ATOM 738 CA TYR A 46 -1.415 -6.199 -7.180 1.00 0.00 C ATOM 739 C TYR A 46 -0.382 -5.492 -6.305 1.00 0.00 C ATOM 740 O TYR A 46 0.386 -4.687 -6.789 1.00 0.00 O ATOM 741 CB TYR A 46 -2.835 -5.608 -6.944 1.00 0.00 C ATOM 742 CG TYR A 46 -2.904 -4.101 -6.669 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.780 -3.608 -5.364 1.00 0.00 C ATOM 744 CD2 TYR A 46 -3.098 -3.189 -7.685 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.843 -2.259 -5.095 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.163 -1.831 -7.415 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.034 -1.375 -6.123 1.00 0.00 C ATOM 748 OH TYR A 46 -3.094 -0.019 -5.861 1.00 0.00 O ATOM 0 H TYR A 46 -2.345 -7.972 -6.577 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.132 -6.044 -8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.446 -5.825 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.288 -6.131 -6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.632 -4.302 -4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.200 -3.537 -8.702 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.743 -1.901 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.315 -1.129 -8.221 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.233 0.470 -6.699 1.00 0.00 H new ATOM 758 N ALA A 47 -0.383 -5.788 -5.032 1.00 0.00 N ATOM 759 CA ALA A 47 0.530 -5.153 -4.111 1.00 0.00 C ATOM 760 C ALA A 47 1.980 -5.428 -4.504 1.00 0.00 C ATOM 761 O ALA A 47 2.789 -4.522 -4.557 1.00 0.00 O ATOM 762 CB ALA A 47 0.236 -5.594 -2.697 1.00 0.00 C ATOM 0 H ALA A 47 -1.010 -6.470 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 47 0.385 -4.074 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.931 -5.108 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.785 -5.317 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.349 -6.676 -2.622 1.00 0.00 H new ATOM 768 N LYS A 48 2.262 -6.667 -4.847 1.00 0.00 N ATOM 769 CA LYS A 48 3.589 -7.099 -5.278 1.00 0.00 C ATOM 770 C LYS A 48 4.022 -6.427 -6.568 1.00 0.00 C ATOM 771 O LYS A 48 5.162 -5.967 -6.682 1.00 0.00 O ATOM 772 CB LYS A 48 3.589 -8.587 -5.497 1.00 0.00 C ATOM 773 CG LYS A 48 3.481 -9.416 -4.238 1.00 0.00 C ATOM 774 CD LYS A 48 3.298 -10.862 -4.604 1.00 0.00 C ATOM 775 CE LYS A 48 3.291 -11.784 -3.401 1.00 0.00 C ATOM 776 NZ LYS A 48 4.610 -11.849 -2.727 1.00 0.00 N ATOM 0 H LYS A 48 1.572 -7.418 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 48 4.289 -6.817 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.759 -8.843 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.506 -8.863 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.379 -9.294 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.640 -9.073 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.360 -10.977 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.098 -11.163 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.540 -11.442 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.998 -12.785 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.591 -12.591 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.347 -12.070 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.818 -10.932 -2.283 1.00 0.00 H new ATOM 790 N LYS A 49 3.122 -6.392 -7.551 1.00 0.00 N ATOM 791 CA LYS A 49 3.434 -5.799 -8.843 1.00 0.00 C ATOM 792 C LYS A 49 3.760 -4.303 -8.650 1.00 0.00 C ATOM 793 O LYS A 49 4.735 -3.774 -9.215 1.00 0.00 O ATOM 794 CB LYS A 49 2.254 -5.990 -9.849 1.00 0.00 C ATOM 795 CG LYS A 49 1.072 -5.125 -9.597 1.00 0.00 C ATOM 796 CD LYS A 49 0.026 -5.234 -10.675 1.00 0.00 C ATOM 797 CE LYS A 49 -0.910 -4.042 -10.625 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.232 -2.780 -11.031 1.00 0.00 N ATOM 0 H LYS A 49 2.176 -6.767 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 49 4.303 -6.303 -9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.620 -5.796 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.936 -7.032 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.628 -5.395 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.397 -4.088 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.506 -5.287 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.542 -6.156 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.762 -4.223 -11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.303 -3.933 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.947 -2.055 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.377 -2.448 -10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.348 -2.954 -11.876 1.00 0.00 H new ATOM 812 N VAL A 50 2.969 -3.667 -7.792 1.00 0.00 N ATOM 813 CA VAL A 50 3.095 -2.271 -7.475 1.00 0.00 C ATOM 814 C VAL A 50 4.399 -2.012 -6.745 1.00 0.00 C ATOM 815 O VAL A 50 5.196 -1.181 -7.173 1.00 0.00 O ATOM 816 CB VAL A 50 1.864 -1.787 -6.638 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.094 -0.432 -6.020 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.626 -1.727 -7.516 1.00 0.00 C ATOM 0 H VAL A 50 2.209 -4.129 -7.293 1.00 0.00 H new ATOM 0 HA VAL A 50 3.112 -1.698 -8.402 1.00 0.00 H new ATOM 0 HB VAL A 50 1.722 -2.508 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.213 -0.138 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.958 -0.476 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.278 0.300 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.224 -1.389 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.796 -1.031 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.417 -2.718 -7.918 1.00 0.00 H new ATOM 828 N GLU A 51 4.625 -2.778 -5.699 1.00 0.00 N ATOM 829 CA GLU A 51 5.796 -2.661 -4.849 1.00 0.00 C ATOM 830 C GLU A 51 7.056 -2.828 -5.685 1.00 0.00 C ATOM 831 O GLU A 51 7.942 -1.982 -5.639 1.00 0.00 O ATOM 832 CB GLU A 51 5.686 -3.706 -3.720 1.00 0.00 C ATOM 833 CG GLU A 51 6.733 -3.655 -2.608 1.00 0.00 C ATOM 834 CD GLU A 51 8.067 -4.291 -2.971 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.073 -5.375 -3.595 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.118 -3.768 -2.573 1.00 0.00 O ATOM 0 H GLU A 51 3.986 -3.517 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 51 5.853 -1.674 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.703 -3.603 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.725 -4.697 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.903 -2.614 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.333 -4.156 -1.726 1.00 0.00 H new ATOM 843 N GLY A 52 7.076 -3.875 -6.504 1.00 0.00 N ATOM 844 CA GLY A 52 8.203 -4.150 -7.375 1.00 0.00 C ATOM 845 C GLY A 52 8.491 -3.011 -8.333 1.00 0.00 C ATOM 846 O GLY A 52 9.651 -2.661 -8.558 1.00 0.00 O ATOM 0 H GLY A 52 6.315 -4.550 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.088 -4.342 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.004 -5.058 -7.945 1.00 0.00 H new ATOM 850 N ASP A 53 7.438 -2.416 -8.866 1.00 0.00 N ATOM 851 CA ASP A 53 7.561 -1.284 -9.797 1.00 0.00 C ATOM 852 C ASP A 53 8.259 -0.115 -9.144 1.00 0.00 C ATOM 853 O ASP A 53 9.283 0.342 -9.628 1.00 0.00 O ATOM 854 CB ASP A 53 6.182 -0.857 -10.280 1.00 0.00 C ATOM 855 CG ASP A 53 6.208 0.352 -11.206 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.501 0.199 -12.410 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.874 1.482 -10.757 1.00 0.00 O ATOM 0 H ASP A 53 6.476 -2.694 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 53 8.161 -1.608 -10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.713 -1.693 -10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.558 -0.629 -9.416 1.00 0.00 H new ATOM 862 N MET A 54 7.743 0.319 -8.023 1.00 0.00 N ATOM 863 CA MET A 54 8.322 1.449 -7.294 1.00 0.00 C ATOM 864 C MET A 54 9.667 1.132 -6.692 1.00 0.00 C ATOM 865 O MET A 54 10.513 2.011 -6.576 1.00 0.00 O ATOM 866 CB MET A 54 7.347 2.071 -6.280 1.00 0.00 C ATOM 867 CG MET A 54 6.466 1.111 -5.539 1.00 0.00 C ATOM 868 SD MET A 54 4.748 1.706 -5.515 1.00 0.00 S ATOM 869 CE MET A 54 4.415 1.937 -7.273 1.00 0.00 C ATOM 0 H MET A 54 6.918 -0.087 -7.582 1.00 0.00 H new ATOM 0 HA MET A 54 8.505 2.220 -8.042 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.926 2.638 -5.551 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.712 2.783 -6.807 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.510 0.130 -6.012 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.829 0.990 -4.518 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.347 1.825 -7.459 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.734 2.934 -7.576 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.963 1.191 -7.848 1.00 0.00 H new ATOM 879 N TYR A 55 9.871 -0.117 -6.352 1.00 0.00 N ATOM 880 CA TYR A 55 11.140 -0.601 -5.848 1.00 0.00 C ATOM 881 C TYR A 55 12.205 -0.415 -6.929 1.00 0.00 C ATOM 882 O TYR A 55 13.241 0.161 -6.688 1.00 0.00 O ATOM 883 CB TYR A 55 10.979 -2.082 -5.472 1.00 0.00 C ATOM 884 CG TYR A 55 12.178 -2.765 -4.867 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.471 -2.638 -3.517 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.986 -3.578 -5.639 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.542 -3.306 -2.957 1.00 0.00 C ATOM 888 CE2 TYR A 55 14.060 -4.239 -5.093 1.00 0.00 C ATOM 889 CZ TYR A 55 14.336 -4.103 -3.751 1.00 0.00 C ATOM 890 OH TYR A 55 15.395 -4.794 -3.195 1.00 0.00 O ATOM 0 H TYR A 55 9.153 -0.838 -6.417 1.00 0.00 H new ATOM 0 HA TYR A 55 11.450 -0.046 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.150 -2.166 -4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.693 -2.631 -6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 55 11.853 -2.008 -2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.769 -3.696 -6.690 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.755 -3.204 -1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.685 -4.863 -5.714 1.00 0.00 H new ATOM 0 HH TYR A 55 15.852 -5.309 -3.892 1.00 0.00 H new ATOM 900 N GLU A 56 11.900 -0.838 -8.139 1.00 0.00 N ATOM 901 CA GLU A 56 12.849 -0.711 -9.240 1.00 0.00 C ATOM 902 C GLU A 56 12.869 0.711 -9.820 1.00 0.00 C ATOM 903 O GLU A 56 13.790 1.084 -10.535 1.00 0.00 O ATOM 904 CB GLU A 56 12.560 -1.727 -10.335 1.00 0.00 C ATOM 905 CG GLU A 56 12.646 -3.171 -9.873 1.00 0.00 C ATOM 906 CD GLU A 56 12.529 -4.141 -11.011 1.00 0.00 C ATOM 907 OE1 GLU A 56 13.496 -4.289 -11.781 1.00 0.00 O ATOM 908 OE2 GLU A 56 11.479 -4.795 -11.166 1.00 0.00 O ATOM 0 H GLU A 56 11.011 -1.270 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 56 13.838 -0.915 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.563 -1.542 -10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.264 -1.575 -11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.594 -3.330 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.855 -3.366 -9.149 1.00 0.00 H new ATOM 915 N SER A 57 11.862 1.478 -9.519 1.00 0.00 N ATOM 916 CA SER A 57 11.747 2.841 -10.004 1.00 0.00 C ATOM 917 C SER A 57 12.511 3.855 -9.135 1.00 0.00 C ATOM 918 O SER A 57 12.865 4.942 -9.598 1.00 0.00 O ATOM 919 CB SER A 57 10.277 3.206 -10.072 1.00 0.00 C ATOM 920 OG SER A 57 9.611 2.534 -11.137 1.00 0.00 O ATOM 0 H SER A 57 11.087 1.182 -8.926 1.00 0.00 H new ATOM 0 HA SER A 57 12.203 2.887 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.796 2.954 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.176 4.283 -10.203 1.00 0.00 H new ATOM 0 HG SER A 57 9.470 1.595 -10.894 1.00 0.00 H new ATOM 926 N ALA A 58 12.743 3.511 -7.903 1.00 0.00 N ATOM 927 CA ALA A 58 13.406 4.410 -6.974 1.00 0.00 C ATOM 928 C ALA A 58 14.914 4.221 -6.931 1.00 0.00 C ATOM 929 O ALA A 58 15.452 3.227 -7.416 1.00 0.00 O ATOM 930 CB ALA A 58 12.848 4.233 -5.602 1.00 0.00 C ATOM 0 H ALA A 58 12.484 2.608 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 58 13.217 5.421 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.352 4.912 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.781 4.453 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.003 3.205 -5.276 1.00 0.00 H new ATOM 936 N ASN A 59 15.583 5.192 -6.338 1.00 0.00 N ATOM 937 CA ASN A 59 17.036 5.167 -6.182 1.00 0.00 C ATOM 938 C ASN A 59 17.413 4.916 -4.733 1.00 0.00 C ATOM 939 O ASN A 59 18.597 4.931 -4.378 1.00 0.00 O ATOM 940 CB ASN A 59 17.666 6.492 -6.600 1.00 0.00 C ATOM 941 CG ASN A 59 17.351 6.928 -8.016 1.00 0.00 C ATOM 942 OD1 ASN A 59 18.106 6.644 -8.950 1.00 0.00 O ATOM 943 ND2 ASN A 59 16.231 7.592 -8.197 1.00 0.00 N ATOM 0 H ASN A 59 15.139 6.024 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 59 17.407 4.365 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.332 7.269 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.748 6.414 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.961 7.891 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.632 7.809 -7.400 1.00 0.00 H new ATOM 950 N SER A 60 16.424 4.713 -3.898 1.00 0.00 N ATOM 951 CA SER A 60 16.639 4.420 -2.502 1.00 0.00 C ATOM 952 C SER A 60 15.377 3.837 -1.940 1.00 0.00 C ATOM 953 O SER A 60 14.298 4.012 -2.523 1.00 0.00 O ATOM 954 CB SER A 60 17.056 5.674 -1.734 1.00 0.00 C ATOM 955 OG SER A 60 16.068 6.674 -1.809 1.00 0.00 O ATOM 0 H SER A 60 15.441 4.747 -4.169 1.00 0.00 H new ATOM 0 HA SER A 60 17.452 3.701 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.239 5.419 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.994 6.055 -2.139 1.00 0.00 H new ATOM 0 HG SER A 60 16.362 7.463 -1.307 1.00 0.00 H new ATOM 961 N ARG A 61 15.478 3.136 -0.831 1.00 0.00 N ATOM 962 CA ARG A 61 14.297 2.495 -0.283 1.00 0.00 C ATOM 963 C ARG A 61 13.345 3.492 0.324 1.00 0.00 C ATOM 964 O ARG A 61 12.166 3.341 0.207 1.00 0.00 O ATOM 965 CB ARG A 61 14.595 1.342 0.693 1.00 0.00 C ATOM 966 CG ARG A 61 15.120 1.711 2.079 1.00 0.00 C ATOM 967 CD ARG A 61 16.437 2.383 2.016 1.00 0.00 C ATOM 968 NE ARG A 61 17.039 2.510 3.352 1.00 0.00 N ATOM 969 CZ ARG A 61 17.756 3.558 3.797 1.00 0.00 C ATOM 970 NH1 ARG A 61 18.041 4.578 2.985 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.217 3.557 5.045 1.00 0.00 N ATOM 0 H ARG A 61 16.339 2.996 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 61 13.809 2.033 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.679 0.765 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.323 0.682 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.403 2.365 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.202 0.810 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.105 1.817 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.322 3.372 1.572 1.00 0.00 H new ATOM 0 HE ARG A 61 16.900 1.734 3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.715 4.567 2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.585 5.368 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.026 2.765 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.761 4.348 5.388 1.00 0.00 H new ATOM 985 N ASP A 62 13.874 4.534 0.930 1.00 0.00 N ATOM 986 CA ASP A 62 13.039 5.560 1.548 1.00 0.00 C ATOM 987 C ASP A 62 12.289 6.307 0.445 1.00 0.00 C ATOM 988 O ASP A 62 11.145 6.662 0.608 1.00 0.00 O ATOM 989 CB ASP A 62 13.914 6.518 2.346 1.00 0.00 C ATOM 990 CG ASP A 62 13.145 7.649 2.984 1.00 0.00 C ATOM 991 OD1 ASP A 62 12.509 7.438 4.041 1.00 0.00 O ATOM 992 OD2 ASP A 62 13.201 8.782 2.469 1.00 0.00 O ATOM 0 H ASP A 62 14.877 4.699 1.012 1.00 0.00 H new ATOM 0 HA ASP A 62 12.320 5.105 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.434 5.959 3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.677 6.934 1.688 1.00 0.00 H new ATOM 997 N GLU A 63 12.954 6.484 -0.706 1.00 0.00 N ATOM 998 CA GLU A 63 12.331 7.082 -1.887 1.00 0.00 C ATOM 999 C GLU A 63 11.220 6.199 -2.411 1.00 0.00 C ATOM 1000 O GLU A 63 10.114 6.676 -2.677 1.00 0.00 O ATOM 1001 CB GLU A 63 13.370 7.314 -2.979 1.00 0.00 C ATOM 1002 CG GLU A 63 12.814 7.722 -4.334 1.00 0.00 C ATOM 1003 CD GLU A 63 13.903 8.136 -5.279 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.601 9.108 -5.004 1.00 0.00 O ATOM 1005 OE2 GLU A 63 14.107 7.473 -6.301 1.00 0.00 O ATOM 0 H GLU A 63 13.930 6.218 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 63 11.905 8.042 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.061 8.087 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.951 6.400 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.256 6.890 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.111 8.545 -4.206 1.00 0.00 H new ATOM 1012 N TYR A 64 11.509 4.908 -2.530 1.00 0.00 N ATOM 1013 CA TYR A 64 10.547 3.958 -3.037 1.00 0.00 C ATOM 1014 C TYR A 64 9.354 3.898 -2.097 1.00 0.00 C ATOM 1015 O TYR A 64 8.213 3.937 -2.530 1.00 0.00 O ATOM 1016 CB TYR A 64 11.232 2.577 -3.281 1.00 0.00 C ATOM 1017 CG TYR A 64 10.651 1.388 -2.575 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.577 0.705 -3.109 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.178 0.955 -1.369 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.041 -0.375 -2.473 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.642 -0.130 -0.719 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.570 -0.790 -1.282 1.00 0.00 C ATOM 1023 OH TYR A 64 9.033 -1.863 -0.658 1.00 0.00 O ATOM 0 H TYR A 64 12.410 4.501 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 64 10.165 4.276 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.214 2.376 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.279 2.664 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.154 1.032 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.019 1.476 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.203 -0.900 -2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.055 -0.462 0.222 1.00 0.00 H new ATOM 0 HH TYR A 64 8.970 -2.611 -1.288 1.00 0.00 H new ATOM 1033 N TYR A 65 9.665 3.872 -0.817 1.00 0.00 N ATOM 1034 CA TYR A 65 8.711 3.908 0.259 1.00 0.00 C ATOM 1035 C TYR A 65 7.865 5.164 0.145 1.00 0.00 C ATOM 1036 O TYR A 65 6.665 5.089 0.197 1.00 0.00 O ATOM 1037 CB TYR A 65 9.534 3.896 1.565 1.00 0.00 C ATOM 1038 CG TYR A 65 8.878 4.222 2.899 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.064 5.339 3.099 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.137 3.435 3.969 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.531 5.626 4.318 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.624 3.720 5.187 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.816 4.808 5.373 1.00 0.00 C ATOM 1044 OH TYR A 65 7.318 5.086 6.631 1.00 0.00 O ATOM 0 H TYR A 65 10.630 3.823 -0.491 1.00 0.00 H new ATOM 0 HA TYR A 65 8.028 3.059 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.974 2.903 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.357 4.598 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.852 5.992 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.764 2.564 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.893 6.487 4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.855 3.079 6.025 1.00 0.00 H new ATOM 0 HH TYR A 65 6.579 5.725 6.556 1.00 0.00 H new ATOM 1054 N HIS A 66 8.514 6.302 -0.035 1.00 0.00 N ATOM 1055 CA HIS A 66 7.833 7.590 -0.084 1.00 0.00 C ATOM 1056 C HIS A 66 6.898 7.679 -1.266 1.00 0.00 C ATOM 1057 O HIS A 66 5.735 8.015 -1.107 1.00 0.00 O ATOM 1058 CB HIS A 66 8.845 8.761 -0.086 1.00 0.00 C ATOM 1059 CG HIS A 66 8.222 10.139 -0.162 1.00 0.00 C ATOM 1060 ND1 HIS A 66 8.535 11.068 -1.130 1.00 0.00 N ATOM 1061 CD2 HIS A 66 7.309 10.738 0.647 1.00 0.00 C ATOM 1062 CE1 HIS A 66 7.823 12.173 -0.890 1.00 0.00 C ATOM 1063 NE2 HIS A 66 7.060 12.028 0.177 1.00 0.00 N ATOM 0 H HIS A 66 9.526 6.362 -0.151 1.00 0.00 H new ATOM 0 HA HIS A 66 7.229 7.672 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.450 8.701 0.818 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.522 8.636 -0.931 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.850 10.288 1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.866 13.069 -1.491 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.421 12.716 0.575 1.00 0.00 H new ATOM 1071 N LEU A 67 7.382 7.349 -2.440 1.00 0.00 N ATOM 1072 CA LEU A 67 6.566 7.465 -3.621 1.00 0.00 C ATOM 1073 C LEU A 67 5.449 6.408 -3.623 1.00 0.00 C ATOM 1074 O LEU A 67 4.347 6.658 -4.135 1.00 0.00 O ATOM 1075 CB LEU A 67 7.432 7.492 -4.913 1.00 0.00 C ATOM 1076 CG LEU A 67 8.127 6.200 -5.351 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.225 5.393 -6.236 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.438 6.481 -6.057 1.00 0.00 C ATOM 0 H LEU A 67 8.327 7.002 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 67 6.056 8.428 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.794 7.820 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.200 8.254 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 67 8.349 5.626 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.735 4.478 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.315 5.139 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.969 5.975 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.901 5.540 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.251 7.087 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.106 7.018 -5.384 1.00 0.00 H new ATOM 1090 N LEU A 68 5.712 5.243 -3.008 1.00 0.00 N ATOM 1091 CA LEU A 68 4.683 4.228 -2.896 1.00 0.00 C ATOM 1092 C LEU A 68 3.651 4.711 -1.889 1.00 0.00 C ATOM 1093 O LEU A 68 2.452 4.611 -2.134 1.00 0.00 O ATOM 1094 CB LEU A 68 5.273 2.814 -2.531 1.00 0.00 C ATOM 1095 CG LEU A 68 5.429 2.389 -1.063 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.107 1.889 -0.492 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.464 1.310 -0.950 1.00 0.00 C ATOM 0 H LEU A 68 6.610 4.995 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 68 4.202 4.086 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.644 2.068 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.259 2.748 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 68 5.744 3.262 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.248 1.595 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.363 2.684 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.763 1.030 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.569 1.014 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.157 0.448 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.420 1.682 -1.319 1.00 0.00 H new ATOM 1109 N ALA A 69 4.142 5.297 -0.773 1.00 0.00 N ATOM 1110 CA ALA A 69 3.304 5.840 0.276 1.00 0.00 C ATOM 1111 C ALA A 69 2.410 6.951 -0.279 1.00 0.00 C ATOM 1112 O ALA A 69 1.270 7.076 0.110 1.00 0.00 O ATOM 1113 CB ALA A 69 4.152 6.320 1.473 1.00 0.00 C ATOM 0 H ALA A 69 5.141 5.398 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 69 2.654 5.048 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.496 6.723 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.717 5.481 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.842 7.096 1.142 1.00 0.00 H new ATOM 1119 N GLU A 70 2.936 7.705 -1.223 1.00 0.00 N ATOM 1120 CA GLU A 70 2.193 8.750 -1.928 1.00 0.00 C ATOM 1121 C GLU A 70 1.068 8.172 -2.811 1.00 0.00 C ATOM 1122 O GLU A 70 -0.099 8.645 -2.766 1.00 0.00 O ATOM 1123 CB GLU A 70 3.163 9.575 -2.779 1.00 0.00 C ATOM 1124 CG GLU A 70 3.995 10.569 -1.987 1.00 0.00 C ATOM 1125 CD GLU A 70 3.260 11.859 -1.725 1.00 0.00 C ATOM 1126 OE1 GLU A 70 2.198 11.850 -1.073 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.712 12.913 -2.233 1.00 0.00 O ATOM 0 H GLU A 70 3.904 7.614 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 70 1.717 9.386 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.833 8.896 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.595 10.115 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.284 10.120 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.915 10.783 -2.531 1.00 0.00 H new ATOM 1134 N LYS A 71 1.388 7.163 -3.609 1.00 0.00 N ATOM 1135 CA LYS A 71 0.388 6.598 -4.499 1.00 0.00 C ATOM 1136 C LYS A 71 -0.656 5.792 -3.710 1.00 0.00 C ATOM 1137 O LYS A 71 -1.849 5.853 -3.998 1.00 0.00 O ATOM 1138 CB LYS A 71 1.032 5.802 -5.692 1.00 0.00 C ATOM 1139 CG LYS A 71 1.734 4.481 -5.344 1.00 0.00 C ATOM 1140 CD LYS A 71 0.752 3.304 -5.236 1.00 0.00 C ATOM 1141 CE LYS A 71 0.465 2.617 -6.584 1.00 0.00 C ATOM 1142 NZ LYS A 71 -0.008 3.514 -7.671 1.00 0.00 N ATOM 0 H LYS A 71 2.309 6.728 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.149 7.421 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.249 5.589 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.756 6.452 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.481 4.258 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.266 4.594 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.155 2.568 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.186 3.662 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.374 2.118 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.284 1.842 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.221 2.950 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.867 4.011 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.733 4.209 -7.895 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.217 5.087 -2.682 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.132 4.311 -1.871 1.00 0.00 C ATOM 1158 C ILE A 72 -2.079 5.276 -1.128 1.00 0.00 C ATOM 1159 O ILE A 72 -3.262 5.031 -1.031 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.377 3.340 -0.893 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.319 2.393 -0.205 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.428 4.066 0.131 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.662 1.578 0.900 1.00 0.00 C ATOM 0 H ILE A 72 0.760 5.037 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.725 3.665 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 72 0.306 2.769 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.148 2.961 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.742 1.713 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.927 3.346 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.174 4.686 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.229 4.698 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.401 0.916 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.149 0.983 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.263 2.250 1.660 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.521 6.405 -0.696 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.238 7.514 -0.069 1.00 0.00 C ATOM 1177 C TYR A 73 -3.411 7.966 -0.927 1.00 0.00 C ATOM 1178 O TYR A 73 -4.562 7.999 -0.455 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.220 8.652 0.132 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.729 10.056 0.338 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -2.005 10.864 -0.749 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.864 10.589 1.591 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.398 12.160 -0.590 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.271 11.885 1.762 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.526 12.668 0.668 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.928 13.966 0.844 1.00 0.00 O ATOM 0 H TYR A 73 -0.519 6.579 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.660 7.206 0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.604 8.395 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.563 8.664 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.907 10.460 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.647 9.980 2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.606 12.777 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.391 12.288 2.757 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.969 14.169 1.802 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.131 8.282 -2.194 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.174 8.776 -3.084 1.00 0.00 C ATOM 1198 C LYS A 74 -5.228 7.704 -3.343 1.00 0.00 C ATOM 1199 O LYS A 74 -6.394 8.017 -3.492 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.604 9.335 -4.400 1.00 0.00 C ATOM 1201 CG LYS A 74 -3.035 8.290 -5.341 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.405 8.905 -6.584 1.00 0.00 C ATOM 1203 CE LYS A 74 -1.250 9.842 -6.253 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.607 10.405 -7.465 1.00 0.00 N ATOM 0 H LYS A 74 -2.206 8.205 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.659 9.609 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.393 9.880 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.821 10.056 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.287 7.699 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.828 7.605 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.047 8.109 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.166 9.454 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.616 10.657 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.505 9.302 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.171 11.035 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.232 9.631 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.309 10.944 -8.012 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.813 6.439 -3.358 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.735 5.331 -3.539 1.00 0.00 C ATOM 1220 C ILE A 75 -6.698 5.236 -2.354 1.00 0.00 C ATOM 1221 O ILE A 75 -7.919 5.095 -2.540 1.00 0.00 O ATOM 1222 CB ILE A 75 -4.964 3.968 -3.760 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.696 3.687 -5.244 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.672 2.779 -3.135 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -3.902 4.737 -5.980 1.00 0.00 C ATOM 0 H ILE A 75 -3.838 6.160 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.319 5.522 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.009 4.096 -3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.168 2.737 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.654 3.563 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.095 1.873 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.767 2.936 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.664 2.674 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.773 4.434 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.434 5.688 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.924 4.849 -5.511 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.148 5.384 -1.154 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.917 5.226 0.071 1.00 0.00 C ATOM 1239 C GLN A 76 -7.990 6.250 0.165 1.00 0.00 C ATOM 1240 O GLN A 76 -9.185 5.925 0.319 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.036 5.337 1.297 1.00 0.00 C ATOM 1242 CG GLN A 76 -4.936 4.344 1.329 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.253 4.291 2.671 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -4.865 4.548 3.702 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -2.991 3.957 2.676 1.00 0.00 N ATOM 0 H GLN A 76 -5.166 5.615 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.361 4.231 0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.610 6.340 1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.651 5.214 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.332 3.358 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.204 4.591 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.515 3.750 1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.481 3.903 3.558 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.598 7.493 0.041 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.531 8.521 0.175 1.00 0.00 C ATOM 1256 C LYS A 77 -9.493 8.564 -0.981 1.00 0.00 C ATOM 1257 O LYS A 77 -10.634 8.918 -0.783 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.850 9.825 0.419 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.781 10.163 -0.585 1.00 0.00 C ATOM 1260 CD LYS A 77 -6.255 11.539 -0.335 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.804 11.747 1.111 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.589 13.177 1.435 1.00 0.00 N ATOM 0 H LYS A 77 -6.641 7.790 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.141 8.313 1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.598 10.618 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.405 9.809 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.969 9.438 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.187 10.099 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.415 11.729 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.028 12.268 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.553 11.333 1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.880 11.195 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.770 13.335 2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.607 13.439 1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.239 13.762 0.872 1.00 0.00 H new ATOM 1276 N GLU A 78 -9.051 8.118 -2.172 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.915 8.111 -3.338 1.00 0.00 C ATOM 1278 C GLU A 78 -11.116 7.250 -3.058 1.00 0.00 C ATOM 1279 O GLU A 78 -12.259 7.705 -3.186 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.205 7.572 -4.588 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.772 8.147 -5.868 1.00 0.00 C ATOM 1282 CD GLU A 78 -9.538 9.634 -5.974 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -10.263 10.424 -5.333 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -8.621 10.049 -6.718 1.00 0.00 O ATOM 0 H GLU A 78 -8.109 7.764 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.206 9.143 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.142 7.806 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.292 6.486 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.317 7.647 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.842 7.945 -5.913 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.854 6.023 -2.605 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.913 5.077 -2.343 1.00 0.00 C ATOM 1293 C LEU A 79 -12.838 5.552 -1.240 1.00 0.00 C ATOM 1294 O LEU A 79 -14.083 5.519 -1.395 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.370 3.633 -2.114 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.373 3.375 -0.964 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.076 3.126 0.367 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.441 2.230 -1.310 1.00 0.00 C ATOM 0 H LEU A 79 -9.915 5.672 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.525 5.022 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.229 2.981 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.893 3.312 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.780 4.281 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.332 2.950 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.676 3.997 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.723 2.253 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.746 2.065 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.024 1.325 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.882 2.476 -2.212 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.268 6.064 -0.163 1.00 0.00 N ATOM 1311 CA GLU A 80 -13.092 6.476 0.927 1.00 0.00 C ATOM 1312 C GLU A 80 -13.878 7.740 0.636 1.00 0.00 C ATOM 1313 O GLU A 80 -15.023 7.797 0.972 1.00 0.00 O ATOM 1314 CB GLU A 80 -12.367 6.566 2.261 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.201 7.503 2.276 1.00 0.00 C ATOM 1316 CD GLU A 80 -10.773 7.817 3.664 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -11.454 8.624 4.322 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -9.790 7.244 4.152 1.00 0.00 O ATOM 0 H GLU A 80 -11.265 6.196 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.812 5.664 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.078 6.880 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.020 5.571 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.369 7.059 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.467 8.425 1.759 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.297 8.733 -0.025 1.00 0.00 N ATOM 1326 CA GLU A 81 -14.046 9.959 -0.267 1.00 0.00 C ATOM 1327 C GLU A 81 -15.112 9.763 -1.317 1.00 0.00 C ATOM 1328 O GLU A 81 -16.198 10.352 -1.217 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.165 11.172 -0.562 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.349 11.111 -1.833 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.361 12.239 -1.902 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -10.288 12.145 -1.259 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -11.616 13.238 -2.585 1.00 0.00 O ATOM 0 H GLU A 81 -12.345 8.719 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.546 10.190 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.802 12.055 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.483 11.312 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.821 10.159 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.013 11.153 -2.696 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.851 8.893 -2.306 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.870 8.623 -3.301 1.00 0.00 C ATOM 1342 C LYS A 82 -17.003 7.865 -2.693 1.00 0.00 C ATOM 1343 O LYS A 82 -18.140 7.964 -3.138 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.334 7.994 -4.630 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.721 6.603 -4.567 1.00 0.00 C ATOM 1346 CD LYS A 82 -15.743 5.496 -4.434 1.00 0.00 C ATOM 1347 CE LYS A 82 -15.085 4.157 -4.621 1.00 0.00 C ATOM 1348 NZ LYS A 82 -14.751 3.905 -6.045 1.00 0.00 N ATOM 0 H LYS A 82 -13.974 8.387 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.253 9.590 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.160 7.963 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.585 8.671 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.130 6.434 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.034 6.556 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.216 5.543 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.532 5.628 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.177 4.111 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.748 3.372 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.556 2.893 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.552 4.187 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.910 4.458 -6.308 1.00 0.00 H new ATOM 1587 N THR B 110 0.702 11.499 7.903 1.00 0.00 N ATOM 1588 CA THR B 110 -0.052 10.560 8.683 1.00 0.00 C ATOM 1589 C THR B 110 0.092 9.133 8.102 1.00 0.00 C ATOM 1590 O THR B 110 0.242 8.158 8.838 1.00 0.00 O ATOM 1591 CB THR B 110 -1.522 10.998 8.675 1.00 0.00 C ATOM 1592 OG1 THR B 110 -1.581 12.402 9.034 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.323 10.192 9.674 1.00 0.00 C ATOM 0 HA THR B 110 0.324 10.540 9.706 1.00 0.00 H new ATOM 0 HB THR B 110 -1.944 10.835 7.683 1.00 0.00 H new ATOM 0 HG1 THR B 110 -0.753 12.846 8.756 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.363 10.517 9.654 1.00 0.00 H new ATOM 0 HG22 THR B 110 -2.268 9.134 9.416 1.00 0.00 H new ATOM 0 HG23 THR B 110 -1.915 10.343 10.674 1.00 0.00 H new ATOM 1601 N LEU B 111 0.113 9.040 6.784 1.00 0.00 N ATOM 1602 CA LEU B 111 0.250 7.760 6.105 1.00 0.00 C ATOM 1603 C LEU B 111 1.637 7.160 6.333 1.00 0.00 C ATOM 1604 O LEU B 111 1.776 5.968 6.673 1.00 0.00 O ATOM 1605 CB LEU B 111 -0.062 7.879 4.593 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.556 7.933 4.160 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.266 6.658 4.542 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.301 9.136 4.739 1.00 0.00 C ATOM 0 H LEU B 111 0.036 9.841 6.157 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.485 7.082 6.539 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.427 8.779 4.220 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.402 7.032 4.088 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.558 8.044 3.076 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.309 6.715 4.231 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.786 5.813 4.049 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.217 6.524 5.623 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.337 9.119 4.402 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.273 9.092 5.828 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.825 10.056 4.401 1.00 0.00 H new ATOM 1620 N GLN B 112 2.664 7.984 6.200 1.00 0.00 N ATOM 1621 CA GLN B 112 4.019 7.506 6.402 1.00 0.00 C ATOM 1622 C GLN B 112 4.286 7.263 7.890 1.00 0.00 C ATOM 1623 O GLN B 112 5.081 6.397 8.251 1.00 0.00 O ATOM 1624 CB GLN B 112 5.077 8.423 5.711 1.00 0.00 C ATOM 1625 CG GLN B 112 5.204 9.864 6.240 1.00 0.00 C ATOM 1626 CD GLN B 112 5.957 9.981 7.564 1.00 0.00 C ATOM 1627 OE1 GLN B 112 6.960 9.167 7.754 1.00 0.00 O flip ATOM 1628 NE2 GLN B 112 5.673 10.847 8.379 1.00 0.00 N flip ATOM 0 H GLN B 112 2.587 8.972 5.957 1.00 0.00 H new ATOM 0 HA GLN B 112 4.123 6.541 5.906 1.00 0.00 H new ATOM 0 HB2 GLN B 112 6.051 7.942 5.799 1.00 0.00 H new ATOM 0 HB3 GLN B 112 4.841 8.472 4.648 1.00 0.00 H new ATOM 0 HG2 GLN B 112 5.713 10.471 5.491 1.00 0.00 H new ATOM 0 HG3 GLN B 112 4.205 10.283 6.365 1.00 0.00 H new ATOM 0 HE21 GLN B 112 4.884 11.470 8.207 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.225 10.946 9.231 1.00 0.00 H new ATOM 1637 N ASP B 113 3.586 8.025 8.729 1.00 0.00 N ATOM 1638 CA ASP B 113 3.619 7.892 10.194 1.00 0.00 C ATOM 1639 C ASP B 113 3.151 6.509 10.579 1.00 0.00 C ATOM 1640 O ASP B 113 3.809 5.801 11.354 1.00 0.00 O ATOM 1641 CB ASP B 113 2.693 8.946 10.823 1.00 0.00 C ATOM 1642 CG ASP B 113 2.572 8.862 12.321 1.00 0.00 C ATOM 1643 OD1 ASP B 113 3.376 9.494 13.030 1.00 0.00 O ATOM 1644 OD2 ASP B 113 1.634 8.214 12.819 1.00 0.00 O ATOM 0 H ASP B 113 2.966 8.769 8.408 1.00 0.00 H new ATOM 0 HA ASP B 113 4.636 8.044 10.555 1.00 0.00 H new ATOM 0 HB2 ASP B 113 3.059 9.937 10.557 1.00 0.00 H new ATOM 0 HB3 ASP B 113 1.700 8.845 10.385 1.00 0.00 H new ATOM 1649 N LEU B 114 2.029 6.118 9.998 1.00 0.00 N ATOM 1650 CA LEU B 114 1.449 4.802 10.195 1.00 0.00 C ATOM 1651 C LEU B 114 2.472 3.730 9.802 1.00 0.00 C ATOM 1652 O LEU B 114 2.769 2.816 10.584 1.00 0.00 O ATOM 1653 CB LEU B 114 0.183 4.670 9.333 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.629 3.377 9.476 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -1.241 3.269 10.864 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.708 3.316 8.410 1.00 0.00 C ATOM 0 H LEU B 114 1.490 6.713 9.369 1.00 0.00 H new ATOM 0 HA LEU B 114 1.181 4.668 11.243 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -0.473 5.509 9.565 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.474 4.773 8.288 1.00 0.00 H new ATOM 0 HG LEU B 114 0.045 2.531 9.341 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.812 2.343 10.939 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -0.448 3.268 11.612 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -1.902 4.118 11.037 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -2.278 2.394 8.522 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.376 4.171 8.519 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.246 3.340 7.423 1.00 0.00 H new ATOM 1668 N LEU B 115 3.043 3.895 8.610 1.00 0.00 N ATOM 1669 CA LEU B 115 4.057 2.983 8.077 1.00 0.00 C ATOM 1670 C LEU B 115 5.267 2.832 8.994 1.00 0.00 C ATOM 1671 O LEU B 115 5.627 1.712 9.364 1.00 0.00 O ATOM 1672 CB LEU B 115 4.541 3.450 6.722 1.00 0.00 C ATOM 1673 CG LEU B 115 3.591 3.301 5.537 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.189 3.947 4.304 1.00 0.00 C ATOM 1675 CD2 LEU B 115 3.313 1.840 5.260 1.00 0.00 C ATOM 0 H LEU B 115 2.815 4.667 7.984 1.00 0.00 H new ATOM 0 HA LEU B 115 3.567 2.013 7.996 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.808 4.503 6.807 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.456 2.907 6.488 1.00 0.00 H new ATOM 0 HG LEU B 115 2.653 3.798 5.785 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.502 3.834 3.465 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.359 5.007 4.494 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.137 3.465 4.064 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.634 1.753 4.412 1.00 0.00 H new ATOM 0 HD22 LEU B 115 4.248 1.329 5.030 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.857 1.384 6.138 1.00 0.00 H new ATOM 1687 N THR B 116 5.882 3.947 9.361 1.00 0.00 N ATOM 1688 CA THR B 116 7.090 3.923 10.170 1.00 0.00 C ATOM 1689 C THR B 116 6.803 3.353 11.567 1.00 0.00 C ATOM 1690 O THR B 116 7.663 2.706 12.172 1.00 0.00 O ATOM 1691 CB THR B 116 7.796 5.338 10.242 1.00 0.00 C ATOM 1692 OG1 THR B 116 9.064 5.256 10.907 1.00 0.00 O ATOM 1693 CG2 THR B 116 6.938 6.369 10.956 1.00 0.00 C ATOM 0 H THR B 116 5.562 4.882 9.110 1.00 0.00 H new ATOM 0 HA THR B 116 7.797 3.256 9.677 1.00 0.00 H new ATOM 0 HB THR B 116 7.943 5.655 9.209 1.00 0.00 H new ATOM 0 HG1 THR B 116 9.477 6.144 10.935 1.00 0.00 H new ATOM 0 HG21 THR B 116 7.463 7.324 10.981 1.00 0.00 H new ATOM 0 HG22 THR B 116 5.994 6.488 10.424 1.00 0.00 H new ATOM 0 HG23 THR B 116 6.741 6.036 11.975 1.00 0.00 H new ATOM 1701 N SER B 117 5.577 3.520 12.028 1.00 0.00 N ATOM 1702 CA SER B 117 5.206 3.015 13.336 1.00 0.00 C ATOM 1703 C SER B 117 5.073 1.492 13.301 1.00 0.00 C ATOM 1704 O SER B 117 5.536 0.793 14.202 1.00 0.00 O ATOM 1705 CB SER B 117 3.916 3.665 13.826 1.00 0.00 C ATOM 1706 OG SER B 117 4.060 5.085 13.925 1.00 0.00 O ATOM 0 H SER B 117 4.829 3.996 11.523 1.00 0.00 H new ATOM 0 HA SER B 117 5.996 3.274 14.041 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.102 3.426 13.142 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.645 3.255 14.799 1.00 0.00 H new ATOM 0 HG SER B 117 4.260 5.456 13.040 1.00 0.00 H new ATOM 1712 N ASP B 118 4.478 0.979 12.245 1.00 0.00 N ATOM 1713 CA ASP B 118 4.325 -0.455 12.110 1.00 0.00 C ATOM 1714 C ASP B 118 5.621 -1.128 11.713 1.00 0.00 C ATOM 1715 O ASP B 118 6.128 -1.982 12.430 1.00 0.00 O ATOM 1716 CB ASP B 118 3.232 -0.847 11.107 1.00 0.00 C ATOM 1717 CG ASP B 118 1.824 -0.651 11.593 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.394 -1.357 12.515 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.089 0.184 11.024 1.00 0.00 O ATOM 0 H ASP B 118 4.096 1.527 11.474 1.00 0.00 H new ATOM 0 HA ASP B 118 4.025 -0.803 13.098 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.370 -0.265 10.196 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.365 -1.895 10.839 1.00 0.00 H new ATOM 1724 N SER B 119 6.173 -0.737 10.589 1.00 0.00 N ATOM 1725 CA SER B 119 7.322 -1.427 10.062 1.00 0.00 C ATOM 1726 C SER B 119 8.626 -1.061 10.767 1.00 0.00 C ATOM 1727 O SER B 119 9.277 -1.925 11.340 1.00 0.00 O ATOM 1728 CB SER B 119 7.456 -1.180 8.560 1.00 0.00 C ATOM 1729 OG SER B 119 8.443 -2.026 7.985 1.00 0.00 O ATOM 0 H SER B 119 5.847 0.049 10.027 1.00 0.00 H new ATOM 0 HA SER B 119 7.149 -2.487 10.249 1.00 0.00 H new ATOM 0 HB2 SER B 119 6.496 -1.354 8.073 1.00 0.00 H new ATOM 0 HB3 SER B 119 7.719 -0.137 8.383 1.00 0.00 H new ATOM 0 HG SER B 119 8.131 -2.348 7.114 1.00 0.00 H new ATOM 1958 N MET B 141 -14.229 -0.246 -5.493 1.00 0.00 N ATOM 1959 CA MET B 141 -12.904 0.213 -5.919 1.00 0.00 C ATOM 1960 C MET B 141 -12.305 -0.787 -6.927 1.00 0.00 C ATOM 1961 O MET B 141 -11.508 -0.413 -7.800 1.00 0.00 O ATOM 1962 CB MET B 141 -12.008 0.314 -4.671 1.00 0.00 C ATOM 1963 CG MET B 141 -10.678 1.025 -4.846 1.00 0.00 C ATOM 1964 SD MET B 141 -10.867 2.764 -5.282 1.00 0.00 S ATOM 1965 CE MET B 141 -9.158 3.324 -5.169 1.00 0.00 C ATOM 0 HA MET B 141 -12.976 1.186 -6.404 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.569 0.827 -3.890 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.810 -0.696 -4.311 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.105 0.947 -3.922 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.101 0.521 -5.622 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.079 4.101 -4.408 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.517 2.485 -4.899 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.842 3.726 -6.132 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.735 -2.055 -6.803 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.320 -3.163 -7.665 1.00 0.00 C ATOM 1977 C GLU B 142 -12.371 -2.872 -9.167 1.00 0.00 C ATOM 1978 O GLU B 142 -11.668 -3.493 -9.904 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.008 -4.499 -7.325 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.479 -5.160 -6.044 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.072 -6.534 -5.804 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -12.514 -7.540 -6.309 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -14.114 -6.639 -5.133 1.00 0.00 O ATOM 0 H GLU B 142 -13.397 -2.339 -6.081 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.262 -3.274 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.079 -4.329 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -12.876 -5.188 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.394 -5.243 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -12.702 -4.519 -5.191 1.00 0.00 H new ATOM 1990 N SER B 143 -13.221 -1.961 -9.610 1.00 0.00 N ATOM 1991 CA SER B 143 -13.280 -1.595 -11.023 1.00 0.00 C ATOM 1992 C SER B 143 -11.899 -1.039 -11.533 1.00 0.00 C ATOM 1993 O SER B 143 -11.219 -1.663 -12.408 1.00 0.00 O ATOM 1994 CB SER B 143 -14.382 -0.560 -11.197 1.00 0.00 C ATOM 1995 OG SER B 143 -15.592 -1.036 -10.610 1.00 0.00 O ATOM 0 H SER B 143 -13.881 -1.459 -9.016 1.00 0.00 H new ATOM 0 HA SER B 143 -13.499 -2.480 -11.621 1.00 0.00 H new ATOM 0 HB2 SER B 143 -14.087 0.380 -10.731 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.537 -0.356 -12.256 1.00 0.00 H new ATOM 0 HG SER B 143 -16.297 -0.365 -10.724 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.437 0.057 -10.933 1.00 0.00 N ATOM 2002 CA ILE B 144 -10.162 0.646 -11.335 1.00 0.00 C ATOM 2003 C ILE B 144 -9.002 -0.198 -10.842 1.00 0.00 C ATOM 2004 O ILE B 144 -7.932 -0.270 -11.455 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.024 2.183 -10.990 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.533 2.570 -9.575 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.706 3.037 -12.035 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.618 2.223 -8.426 1.00 0.00 C ATOM 0 H ILE B 144 -11.918 0.548 -10.179 1.00 0.00 H new ATOM 0 HA ILE B 144 -10.134 0.629 -12.425 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.952 2.379 -10.992 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.715 3.645 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.493 2.081 -9.410 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.596 4.089 -11.773 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.249 2.855 -13.008 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.765 2.783 -12.078 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -10.075 2.539 -7.488 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.454 1.146 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.663 2.733 -8.554 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.265 -0.907 -9.784 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.331 -1.836 -9.228 1.00 0.00 C ATOM 2022 C ILE B 145 -8.129 -3.036 -10.152 1.00 0.00 C ATOM 2023 O ILE B 145 -7.033 -3.561 -10.241 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.776 -2.247 -7.813 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.479 -1.135 -6.796 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.317 -3.630 -7.365 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.054 -0.602 -6.815 1.00 0.00 C ATOM 0 H ILE B 145 -10.148 -0.854 -9.277 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.358 -1.352 -9.139 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.859 -2.363 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.162 -0.306 -6.979 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -8.695 -1.512 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.681 -3.825 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.713 -4.383 -8.046 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.228 -3.672 -7.372 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -6.947 0.178 -6.061 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.359 -1.413 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.833 -0.188 -7.799 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.179 -3.437 -10.856 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.093 -4.522 -11.817 1.00 0.00 C ATOM 2041 C ARG B 146 -8.207 -4.057 -12.941 1.00 0.00 C ATOM 2042 O ARG B 146 -7.325 -4.790 -13.396 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.473 -4.882 -12.383 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.540 -6.244 -13.074 1.00 0.00 C ATOM 2045 CD ARG B 146 -10.408 -7.376 -12.054 1.00 0.00 C ATOM 2046 NE ARG B 146 -11.480 -7.306 -11.048 1.00 0.00 N ATOM 2047 CZ ARG B 146 -11.438 -7.776 -9.794 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -10.404 -8.515 -9.365 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -12.455 -7.529 -8.987 1.00 0.00 N ATOM 0 H ARG B 146 -10.107 -3.021 -10.776 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.693 -5.410 -11.327 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.200 -4.865 -11.571 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.772 -4.113 -13.095 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -11.484 -6.339 -13.610 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -9.744 -6.321 -13.815 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -10.446 -8.338 -12.566 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -9.437 -7.315 -11.562 1.00 0.00 H new ATOM 0 HE ARG B 146 -12.347 -6.852 -11.336 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -9.632 -8.728 -9.997 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -10.390 -8.864 -8.407 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -13.253 -6.989 -9.322 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -12.442 -7.878 -8.029 1.00 0.00 H new ATOM 2063 N SER B 147 -8.429 -2.799 -13.345 1.00 0.00 N ATOM 2064 CA SER B 147 -7.626 -2.154 -14.375 1.00 0.00 C ATOM 2065 C SER B 147 -6.131 -2.088 -13.969 1.00 0.00 C ATOM 2066 O SER B 147 -5.244 -2.008 -14.822 1.00 0.00 O ATOM 2067 CB SER B 147 -8.190 -0.774 -14.633 1.00 0.00 C ATOM 2068 OG SER B 147 -9.587 -0.878 -14.903 1.00 0.00 O ATOM 0 H SER B 147 -9.168 -2.208 -12.965 1.00 0.00 H new ATOM 0 HA SER B 147 -7.672 -2.742 -15.292 1.00 0.00 H new ATOM 0 HB2 SER B 147 -8.022 -0.132 -13.768 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.678 -0.312 -15.477 1.00 0.00 H new ATOM 0 HG SER B 147 -9.955 0.015 -15.069 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.875 -2.071 -12.678 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.523 -2.191 -12.163 1.00 0.00 C ATOM 2076 C GLU B 148 -4.019 -3.645 -12.117 1.00 0.00 C ATOM 2077 O GLU B 148 -3.067 -4.001 -12.793 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.419 -1.575 -10.774 1.00 0.00 C ATOM 2079 CG GLU B 148 -3.996 -0.130 -10.758 1.00 0.00 C ATOM 2080 CD GLU B 148 -2.586 0.032 -11.277 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -1.647 -0.573 -10.689 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -2.383 0.780 -12.242 1.00 0.00 O ATOM 0 H GLU B 148 -6.591 -1.974 -11.958 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.886 -1.647 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -5.386 -1.662 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -3.707 -2.155 -10.186 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -4.681 0.459 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -4.059 0.259 -9.742 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.683 -4.474 -11.324 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.211 -5.829 -10.995 1.00 0.00 C ATOM 2091 C LEU B 149 -4.034 -6.757 -12.203 1.00 0.00 C ATOM 2092 O LEU B 149 -3.111 -7.572 -12.214 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.110 -6.481 -9.900 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.566 -6.788 -10.279 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.712 -8.157 -10.947 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.464 -6.667 -9.079 1.00 0.00 C ATOM 0 H LEU B 149 -5.571 -4.232 -10.884 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.205 -5.697 -10.597 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.639 -7.413 -9.587 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.119 -5.821 -9.033 1.00 0.00 H new ATOM 0 HG LEU B 149 -6.875 -6.045 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.759 -8.330 -11.197 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.112 -8.184 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.369 -8.934 -10.264 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.491 -6.888 -9.369 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -7.144 -7.372 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.409 -5.652 -8.684 1.00 0.00 H new ATOM 2108 N MET B 150 -4.895 -6.630 -13.208 1.00 0.00 N ATOM 2109 CA MET B 150 -4.851 -7.550 -14.340 1.00 0.00 C ATOM 2110 C MET B 150 -3.633 -7.290 -15.218 1.00 0.00 C ATOM 2111 O MET B 150 -2.819 -8.197 -15.454 1.00 0.00 O ATOM 2112 CB MET B 150 -6.142 -7.483 -15.162 1.00 0.00 C ATOM 2113 CG MET B 150 -6.195 -8.481 -16.306 1.00 0.00 C ATOM 2114 SD MET B 150 -6.124 -10.190 -15.726 1.00 0.00 S ATOM 2115 CE MET B 150 -6.178 -11.075 -17.283 1.00 0.00 C ATOM 0 H MET B 150 -5.619 -5.913 -13.263 1.00 0.00 H new ATOM 0 HA MET B 150 -4.763 -8.559 -13.937 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.991 -7.657 -14.501 1.00 0.00 H new ATOM 0 HB3 MET B 150 -6.253 -6.476 -15.565 1.00 0.00 H new ATOM 0 HG2 MET B 150 -7.112 -8.330 -16.875 1.00 0.00 H new ATOM 0 HG3 MET B 150 -5.364 -8.295 -16.986 1.00 0.00 H new ATOM 0 HE1 MET B 150 -6.142 -12.148 -17.093 1.00 0.00 H new ATOM 0 HE2 MET B 150 -7.101 -10.830 -17.809 1.00 0.00 H new ATOM 0 HE3 MET B 150 -5.324 -10.786 -17.896 1.00 0.00 H new