USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 0:sc= 0.476 USER MOD Set 1.2: A 130 MET CE :methyl -157:sc= -0.547 (180deg=-1.01) USER MOD Set 2.1: A 67 TYR OH : rot -112:sc= 0.431 USER MOD Set 2.2: A 72 GLN : amide:sc= 0.898 K(o=1.3,f=-0.7) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.225 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.936) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.0212 K(o=0.021,f=-2.6) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= 1! (180deg=-1.47) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 144:sc= 0.762 USER MOD Single : A 40 ASN : amide:sc= 0.889 K(o=0.89,f=-0.054) USER MOD Single : A 47 CYS SG : rot -22:sc= -1.88! USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 1.23 (180deg=0.274) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 82:sc= 1.32 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.0182 (180deg=-0.136) USER MOD Single : A 57 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.4!) USER MOD Single : A 58 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.7) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.12 F(o=-0.5,f=0.12) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= 1.29 (180deg=0.294) USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000723) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= 1.06 (180deg=-0.118) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 0.645 (180deg=0.602) USER MOD Single : A 90 THR OG1 : rot -7:sc= 1.23 USER MOD Single : A 91 ASN : amide:sc= 1.25 K(o=1.3,f=-0.3) USER MOD Single : A 92 SER OG : rot -70:sc= 1.18 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= 0.634 K(o=0.63,f=-2!) USER MOD Single : A 100 SER OG : rot -87:sc= 0.907 USER MOD Single : A 105 GLN : amide:sc= -0.977 K(o=-0.98,f=-2.2) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= -0.226 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.573 F(o=-1.5,f=-0.57) USER MOD Single : A 112 MET CE :methyl -174:sc= -1.74 (180deg=-1.79) USER MOD Single : A 114 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.4) USER MOD Single : A 116 SER OG : rot 170:sc= 0.0109 USER MOD Single : A 117 TYR OH : rot 17:sc= 1.03 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -78:sc= 0.867 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 -18.237 -9.346 -4.870 1.00 0.00 N ATOM 32 CA VAL A 3 -18.380 -8.980 -3.465 1.00 0.00 C ATOM 33 C VAL A 3 -19.854 -8.868 -3.071 1.00 0.00 C ATOM 34 O VAL A 3 -20.677 -8.342 -3.822 1.00 0.00 O ATOM 35 CB VAL A 3 -17.645 -7.653 -3.147 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.016 -6.569 -4.153 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.940 -7.187 -1.721 1.00 0.00 C ATOM 0 HA VAL A 3 -17.921 -9.776 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.574 -7.841 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.487 -5.648 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.736 -6.892 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.091 -6.391 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.411 -6.254 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.012 -7.027 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.608 -7.947 -1.014 1.00 0.00 H new ATOM 47 N SER A 4 -20.175 -9.390 -1.892 1.00 0.00 N ATOM 48 CA SER A 4 -21.525 -9.339 -1.347 1.00 0.00 C ATOM 49 C SER A 4 -21.508 -8.579 -0.015 1.00 0.00 C ATOM 50 O SER A 4 -20.439 -8.404 0.569 1.00 0.00 O ATOM 51 CB SER A 4 -22.041 -10.768 -1.151 1.00 0.00 C ATOM 52 OG SER A 4 -21.934 -11.511 -2.355 1.00 0.00 O ATOM 0 H SER A 4 -19.503 -9.862 -1.286 1.00 0.00 H new ATOM 0 HA SER A 4 -22.190 -8.817 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.472 -11.260 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.081 -10.743 -0.825 1.00 0.00 H new ATOM 0 HG SER A 4 -22.267 -12.421 -2.209 1.00 0.00 H new ATOM 58 N PRO A 5 -22.680 -8.105 0.474 1.00 0.00 N ATOM 59 CA PRO A 5 -22.782 -7.357 1.742 1.00 0.00 C ATOM 60 C PRO A 5 -21.920 -7.945 2.865 1.00 0.00 C ATOM 61 O PRO A 5 -21.169 -7.222 3.528 1.00 0.00 O ATOM 62 CB PRO A 5 -24.272 -7.469 2.080 1.00 0.00 C ATOM 63 CG PRO A 5 -24.945 -7.508 0.749 1.00 0.00 C ATOM 64 CD PRO A 5 -24.003 -8.239 -0.180 1.00 0.00 C ATOM 0 HA PRO A 5 -22.420 -6.334 1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.483 -8.368 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.611 -6.620 2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.904 -8.021 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.146 -6.500 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.287 -9.285 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.002 -7.797 -1.177 1.00 0.00 H new ATOM 72 N GLU A 6 -22.015 -9.260 3.065 1.00 0.00 N ATOM 73 CA GLU A 6 -21.236 -9.932 4.105 1.00 0.00 C ATOM 74 C GLU A 6 -19.738 -9.807 3.833 1.00 0.00 C ATOM 75 O GLU A 6 -18.951 -9.575 4.747 1.00 0.00 O ATOM 76 CB GLU A 6 -21.633 -11.408 4.217 1.00 0.00 C ATOM 77 CG GLU A 6 -23.063 -11.625 4.698 1.00 0.00 C ATOM 78 CD GLU A 6 -23.424 -13.096 4.776 1.00 0.00 C ATOM 79 OE1 GLU A 6 -23.778 -13.682 3.730 1.00 0.00 O ATOM 80 OE2 GLU A 6 -23.333 -13.684 5.875 1.00 0.00 O ATOM 0 H GLU A 6 -22.620 -9.878 2.524 1.00 0.00 H new ATOM 0 HA GLU A 6 -21.456 -9.442 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -21.511 -11.882 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.949 -11.908 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -23.187 -11.170 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.753 -11.119 4.023 1.00 0.00 H new ATOM 87 N GLU A 7 -19.348 -9.946 2.571 1.00 0.00 N ATOM 88 CA GLU A 7 -17.947 -9.799 2.183 1.00 0.00 C ATOM 89 C GLU A 7 -17.481 -8.368 2.462 1.00 0.00 C ATOM 90 O GLU A 7 -16.350 -8.138 2.892 1.00 0.00 O ATOM 91 CB GLU A 7 -17.778 -10.147 0.696 1.00 0.00 C ATOM 92 CG GLU A 7 -16.341 -10.066 0.183 1.00 0.00 C ATOM 93 CD GLU A 7 -15.410 -11.078 0.838 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.619 -12.296 0.643 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.458 -10.666 1.533 1.00 0.00 O ATOM 0 H GLU A 7 -19.980 -10.160 1.799 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.334 -10.484 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.154 -11.156 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.399 -9.473 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.338 -10.225 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.956 -9.062 0.359 1.00 0.00 H new ATOM 102 N ALA A 8 -18.384 -7.416 2.248 1.00 0.00 N ATOM 103 CA ALA A 8 -18.088 -6.004 2.455 1.00 0.00 C ATOM 104 C ALA A 8 -17.834 -5.701 3.934 1.00 0.00 C ATOM 105 O ALA A 8 -16.920 -4.945 4.275 1.00 0.00 O ATOM 106 CB ALA A 8 -19.225 -5.144 1.914 1.00 0.00 C ATOM 0 H ALA A 8 -19.335 -7.600 1.928 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.176 -5.763 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.993 -4.091 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.346 -5.331 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.150 -5.395 2.434 1.00 0.00 H new ATOM 112 N VAL A 9 -18.633 -6.302 4.821 1.00 0.00 N ATOM 113 CA VAL A 9 -18.464 -6.074 6.257 1.00 0.00 C ATOM 114 C VAL A 9 -17.173 -6.728 6.753 1.00 0.00 C ATOM 115 O VAL A 9 -16.593 -6.291 7.750 1.00 0.00 O ATOM 116 CB VAL A 9 -19.669 -6.570 7.105 1.00 0.00 C ATOM 117 CG1 VAL A 9 -20.976 -5.956 6.606 1.00 0.00 C ATOM 118 CG2 VAL A 9 -19.756 -8.094 7.127 1.00 0.00 C ATOM 0 H VAL A 9 -19.390 -6.939 4.575 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.408 -4.994 6.390 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.505 -6.238 8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.804 -6.318 7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -20.919 -4.870 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.138 -6.241 5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -20.611 -8.401 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.877 -8.466 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.843 -8.504 7.557 1.00 0.00 H new ATOM 128 N LYS A 10 -16.716 -7.763 6.043 1.00 0.00 N ATOM 129 CA LYS A 10 -15.437 -8.404 6.358 1.00 0.00 C ATOM 130 C LYS A 10 -14.297 -7.410 6.143 1.00 0.00 C ATOM 131 O LYS A 10 -13.280 -7.442 6.835 1.00 0.00 O ATOM 132 CB LYS A 10 -15.211 -9.655 5.492 1.00 0.00 C ATOM 133 CG LYS A 10 -16.298 -10.719 5.619 1.00 0.00 C ATOM 134 CD LYS A 10 -16.477 -11.201 7.058 1.00 0.00 C ATOM 135 CE LYS A 10 -17.595 -12.233 7.169 1.00 0.00 C ATOM 136 NZ LYS A 10 -17.791 -12.703 8.566 1.00 0.00 N ATOM 0 H LYS A 10 -17.210 -8.173 5.250 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.460 -8.716 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.139 -9.350 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.253 -10.099 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.242 -10.315 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.047 -11.568 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.543 -11.635 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.701 -10.351 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.525 -11.800 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.365 -13.085 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.560 -13.402 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.913 -13.141 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.037 -11.895 9.173 1.00 0.00 H new ATOM 150 N TRP A 11 -14.482 -6.521 5.174 1.00 0.00 N ATOM 151 CA TRP A 11 -13.514 -5.466 4.902 1.00 0.00 C ATOM 152 C TRP A 11 -13.695 -4.338 5.913 1.00 0.00 C ATOM 153 O TRP A 11 -12.731 -3.697 6.337 1.00 0.00 O ATOM 154 CB TRP A 11 -13.694 -4.935 3.473 1.00 0.00 C ATOM 155 CG TRP A 11 -13.692 -6.012 2.424 1.00 0.00 C ATOM 156 CD1 TRP A 11 -13.314 -7.318 2.579 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.079 -5.867 1.054 1.00 0.00 C ATOM 158 NE1 TRP A 11 -13.464 -7.993 1.396 1.00 0.00 N ATOM 159 CE2 TRP A 11 -13.925 -7.124 0.442 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.547 -4.796 0.286 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.216 -7.337 -0.901 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.836 -5.009 -1.047 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.669 -6.271 -1.628 1.00 0.00 C ATOM 0 H TRP A 11 -15.297 -6.510 4.561 1.00 0.00 H new ATOM 0 HA TRP A 11 -12.506 -5.871 4.993 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.633 -4.385 3.415 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -12.895 -4.226 3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -12.951 -7.753 3.499 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.265 -8.983 1.249 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.680 -3.820 0.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -14.089 -8.309 -1.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.196 -4.189 -1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.903 -6.406 -2.674 1.00 0.00 H new ATOM 174 N GLY A 12 -14.949 -4.131 6.318 1.00 0.00 N ATOM 175 CA GLY A 12 -15.282 -3.085 7.273 1.00 0.00 C ATOM 176 C GLY A 12 -14.827 -3.406 8.687 1.00 0.00 C ATOM 177 O GLY A 12 -15.045 -2.616 9.606 1.00 0.00 O ATOM 0 H GLY A 12 -15.748 -4.677 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.824 -2.149 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.361 -2.929 7.271 1.00 0.00 H new ATOM 181 N GLU A 13 -14.210 -4.571 8.870 1.00 0.00 N ATOM 182 CA GLU A 13 -13.659 -4.960 10.170 1.00 0.00 C ATOM 183 C GLU A 13 -12.138 -5.091 10.100 1.00 0.00 C ATOM 184 O GLU A 13 -11.482 -5.326 11.116 1.00 0.00 O ATOM 185 CB GLU A 13 -14.274 -6.285 10.642 1.00 0.00 C ATOM 186 CG GLU A 13 -14.050 -7.440 9.674 1.00 0.00 C ATOM 187 CD GLU A 13 -14.608 -8.764 10.167 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.711 -8.771 10.757 1.00 0.00 O ATOM 189 OE2 GLU A 13 -13.954 -9.807 9.949 1.00 0.00 O ATOM 0 H GLU A 13 -14.078 -5.265 8.134 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.909 -4.178 10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.851 -6.547 11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.345 -6.147 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.510 -7.195 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.981 -7.550 9.494 1.00 0.00 H new ATOM 196 N SER A 14 -11.575 -4.938 8.904 1.00 0.00 N ATOM 197 CA SER A 14 -10.137 -5.092 8.718 1.00 0.00 C ATOM 198 C SER A 14 -9.689 -4.525 7.372 1.00 0.00 C ATOM 199 O SER A 14 -10.010 -5.075 6.315 1.00 0.00 O ATOM 200 CB SER A 14 -9.749 -6.576 8.823 1.00 0.00 C ATOM 201 OG SER A 14 -8.358 -6.769 8.606 1.00 0.00 O ATOM 0 H SER A 14 -12.090 -4.709 8.054 1.00 0.00 H new ATOM 0 HA SER A 14 -9.631 -4.531 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.020 -6.955 9.808 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.315 -7.153 8.092 1.00 0.00 H new ATOM 0 HG SER A 14 -8.144 -7.722 8.681 1.00 0.00 H new ATOM 207 N PHE A 15 -8.943 -3.422 7.418 1.00 0.00 N ATOM 208 CA PHE A 15 -8.345 -2.840 6.218 1.00 0.00 C ATOM 209 C PHE A 15 -7.350 -3.839 5.624 1.00 0.00 C ATOM 210 O PHE A 15 -7.178 -3.928 4.407 1.00 0.00 O ATOM 211 CB PHE A 15 -7.653 -1.508 6.565 1.00 0.00 C ATOM 212 CG PHE A 15 -7.046 -0.786 5.381 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.825 -0.428 4.292 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.693 -0.471 5.355 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.271 0.231 3.211 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.137 0.186 4.274 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.927 0.536 3.203 1.00 0.00 C ATOM 0 H PHE A 15 -8.738 -2.912 8.277 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.119 -2.631 5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.379 -0.850 7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.869 -1.701 7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.878 -0.667 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.067 -0.744 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.892 0.507 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.084 0.425 4.270 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.494 1.049 2.357 1.00 0.00 H new ATOM 227 N ASP A 16 -6.717 -4.599 6.513 1.00 0.00 N ATOM 228 CA ASP A 16 -5.817 -5.685 6.130 1.00 0.00 C ATOM 229 C ASP A 16 -6.553 -6.717 5.275 1.00 0.00 C ATOM 230 O ASP A 16 -6.014 -7.229 4.289 1.00 0.00 O ATOM 231 CB ASP A 16 -5.246 -6.338 7.398 1.00 0.00 C ATOM 232 CG ASP A 16 -4.330 -7.519 7.118 1.00 0.00 C ATOM 233 OD1 ASP A 16 -3.184 -7.302 6.669 1.00 0.00 O ATOM 234 OD2 ASP A 16 -4.748 -8.673 7.364 1.00 0.00 O ATOM 0 H ASP A 16 -6.813 -4.480 7.521 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.998 -5.282 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.694 -5.588 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.071 -6.671 8.028 1.00 0.00 H new ATOM 239 N LYS A 17 -7.804 -6.993 5.643 1.00 0.00 N ATOM 240 CA LYS A 17 -8.626 -7.961 4.920 1.00 0.00 C ATOM 241 C LYS A 17 -9.137 -7.355 3.612 1.00 0.00 C ATOM 242 O LYS A 17 -9.279 -8.053 2.604 1.00 0.00 O ATOM 243 CB LYS A 17 -9.801 -8.423 5.796 1.00 0.00 C ATOM 244 CG LYS A 17 -10.615 -9.561 5.189 1.00 0.00 C ATOM 245 CD LYS A 17 -11.685 -10.078 6.149 1.00 0.00 C ATOM 246 CE LYS A 17 -11.088 -10.558 7.471 1.00 0.00 C ATOM 247 NZ LYS A 17 -12.120 -11.130 8.379 1.00 0.00 N ATOM 0 H LYS A 17 -8.270 -6.558 6.439 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.012 -8.829 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.416 -8.741 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.461 -7.575 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.089 -9.217 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.947 -10.378 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.409 -9.287 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.228 -10.897 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.325 -11.310 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.591 -9.724 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.658 -11.708 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.650 -10.358 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.774 -11.724 7.831 1.00 0.00 H new ATOM 261 N LEU A 18 -9.402 -6.050 3.636 1.00 0.00 N ATOM 262 CA LEU A 18 -9.819 -5.314 2.440 1.00 0.00 C ATOM 263 C LEU A 18 -8.790 -5.493 1.325 1.00 0.00 C ATOM 264 O LEU A 18 -9.135 -5.785 0.179 1.00 0.00 O ATOM 265 CB LEU A 18 -9.991 -3.820 2.774 1.00 0.00 C ATOM 266 CG LEU A 18 -10.293 -2.893 1.580 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.581 -3.303 0.880 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.372 -1.438 2.036 1.00 0.00 C ATOM 0 H LEU A 18 -9.335 -5.476 4.476 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.775 -5.710 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.798 -3.721 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.081 -3.469 3.260 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.475 -2.989 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.769 -2.632 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.486 -4.325 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.411 -3.246 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.586 -0.799 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.166 -1.331 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.421 -1.144 2.480 1.00 0.00 H new ATOM 280 N LEU A 19 -7.521 -5.333 1.685 1.00 0.00 N ATOM 281 CA LEU A 19 -6.413 -5.475 0.741 1.00 0.00 C ATOM 282 C LEU A 19 -6.140 -6.949 0.440 1.00 0.00 C ATOM 283 O LEU A 19 -5.585 -7.288 -0.605 1.00 0.00 O ATOM 284 CB LEU A 19 -5.153 -4.798 1.310 1.00 0.00 C ATOM 285 CG LEU A 19 -5.089 -3.261 1.165 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.429 -2.607 1.488 1.00 0.00 C ATOM 287 CD2 LEU A 19 -3.994 -2.685 2.061 1.00 0.00 C ATOM 0 H LEU A 19 -7.230 -5.102 2.635 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.687 -4.987 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.077 -5.047 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.280 -5.227 0.818 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.852 -3.040 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.343 -1.526 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.192 -2.984 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.711 -2.843 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.963 -1.601 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.206 -2.934 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.031 -3.108 1.776 1.00 0.00 H new ATOM 299 N SER A 20 -6.536 -7.818 1.364 1.00 0.00 N ATOM 300 CA SER A 20 -6.337 -9.255 1.207 1.00 0.00 C ATOM 301 C SER A 20 -7.263 -9.821 0.124 1.00 0.00 C ATOM 302 O SER A 20 -6.960 -10.843 -0.495 1.00 0.00 O ATOM 303 CB SER A 20 -6.576 -9.968 2.546 1.00 0.00 C ATOM 304 OG SER A 20 -6.173 -11.325 2.492 1.00 0.00 O ATOM 0 H SER A 20 -6.999 -7.551 2.233 1.00 0.00 H new ATOM 0 HA SER A 20 -5.308 -9.429 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.026 -9.455 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.633 -9.912 2.806 1.00 0.00 H new ATOM 0 HG SER A 20 -6.337 -11.750 3.360 1.00 0.00 H new ATOM 310 N HIS A 21 -8.390 -9.152 -0.107 1.00 0.00 N ATOM 311 CA HIS A 21 -9.357 -9.586 -1.115 1.00 0.00 C ATOM 312 C HIS A 21 -9.136 -8.794 -2.403 1.00 0.00 C ATOM 313 O HIS A 21 -9.178 -7.566 -2.381 1.00 0.00 O ATOM 314 CB HIS A 21 -10.795 -9.373 -0.595 1.00 0.00 C ATOM 315 CG HIS A 21 -11.720 -10.537 -0.829 1.00 0.00 C ATOM 316 ND1 HIS A 21 -12.595 -10.611 -1.892 1.00 0.00 N ATOM 317 CD2 HIS A 21 -11.928 -11.661 -0.101 1.00 0.00 C ATOM 318 CE1 HIS A 21 -13.301 -11.722 -1.804 1.00 0.00 C ATOM 319 NE2 HIS A 21 -12.917 -12.381 -0.726 1.00 0.00 N ATOM 0 H HIS A 21 -8.658 -8.304 0.392 1.00 0.00 H new ATOM 0 HA HIS A 21 -9.217 -10.648 -1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.755 -9.166 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.215 -8.489 -1.075 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.683 -9.914 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.411 -11.940 0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.065 -12.040 -2.498 1.00 0.00 H new ATOM 328 N ARG A 22 -8.903 -9.491 -3.520 1.00 0.00 N ATOM 329 CA ARG A 22 -8.659 -8.829 -4.809 1.00 0.00 C ATOM 330 C ARG A 22 -9.769 -7.831 -5.126 1.00 0.00 C ATOM 331 O ARG A 22 -9.510 -6.747 -5.644 1.00 0.00 O ATOM 332 CB ARG A 22 -8.553 -9.851 -5.952 1.00 0.00 C ATOM 333 CG ARG A 22 -7.258 -10.659 -5.963 1.00 0.00 C ATOM 334 CD ARG A 22 -7.148 -11.514 -7.222 1.00 0.00 C ATOM 335 NE ARG A 22 -7.322 -10.711 -8.439 1.00 0.00 N ATOM 336 CZ ARG A 22 -7.510 -11.219 -9.660 1.00 0.00 C ATOM 337 NH1 ARG A 22 -7.463 -12.528 -9.864 1.00 0.00 N ATOM 338 NH2 ARG A 22 -7.727 -10.408 -10.688 1.00 0.00 N ATOM 0 H ARG A 22 -8.878 -10.510 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.711 -8.298 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.395 -10.540 -5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.646 -9.325 -6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.405 -9.983 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.219 -11.299 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.175 -12.004 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.901 -12.301 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.298 -9.696 -8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.282 -13.160 -9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.608 -12.904 -10.801 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.750 -9.398 -10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.871 -10.794 -11.621 1.00 0.00 H new ATOM 352 N ASP A 23 -11.001 -8.218 -4.806 1.00 0.00 N ATOM 353 CA ASP A 23 -12.172 -7.358 -4.997 1.00 0.00 C ATOM 354 C ASP A 23 -11.959 -6.020 -4.289 1.00 0.00 C ATOM 355 O ASP A 23 -12.180 -4.951 -4.863 1.00 0.00 O ATOM 356 CB ASP A 23 -13.433 -8.040 -4.436 1.00 0.00 C ATOM 357 CG ASP A 23 -13.625 -9.458 -4.952 1.00 0.00 C ATOM 358 OD1 ASP A 23 -12.781 -10.324 -4.625 1.00 0.00 O ATOM 359 OD2 ASP A 23 -14.617 -9.718 -5.657 1.00 0.00 O ATOM 0 H ASP A 23 -11.218 -9.132 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.305 -7.186 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.374 -8.061 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.307 -7.444 -4.696 1.00 0.00 H new ATOM 364 N GLY A 24 -11.507 -6.101 -3.041 1.00 0.00 N ATOM 365 CA GLY A 24 -11.276 -4.914 -2.240 1.00 0.00 C ATOM 366 C GLY A 24 -10.075 -4.133 -2.719 1.00 0.00 C ATOM 367 O GLY A 24 -10.100 -2.904 -2.757 1.00 0.00 O ATOM 0 H GLY A 24 -11.295 -6.979 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.160 -4.277 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.130 -5.202 -1.199 1.00 0.00 H new ATOM 371 N LEU A 25 -9.024 -4.857 -3.090 1.00 0.00 N ATOM 372 CA LEU A 25 -7.800 -4.252 -3.603 1.00 0.00 C ATOM 373 C LEU A 25 -8.110 -3.420 -4.848 1.00 0.00 C ATOM 374 O LEU A 25 -7.691 -2.268 -4.950 1.00 0.00 O ATOM 375 CB LEU A 25 -6.760 -5.355 -3.900 1.00 0.00 C ATOM 376 CG LEU A 25 -5.387 -4.884 -4.433 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.293 -5.881 -4.055 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.417 -4.699 -5.954 1.00 0.00 C ATOM 0 H LEU A 25 -8.996 -5.876 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.378 -3.583 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.594 -5.923 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.191 -6.043 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.167 -3.921 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.334 -5.532 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.239 -5.968 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.524 -6.855 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.438 -4.367 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.669 -5.646 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.166 -3.951 -6.215 1.00 0.00 H new ATOM 390 N GLU A 26 -8.865 -4.010 -5.775 1.00 0.00 N ATOM 391 CA GLU A 26 -9.275 -3.329 -7.003 1.00 0.00 C ATOM 392 C GLU A 26 -10.036 -2.051 -6.671 1.00 0.00 C ATOM 393 O GLU A 26 -9.638 -0.956 -7.072 1.00 0.00 O ATOM 394 CB GLU A 26 -10.148 -4.262 -7.860 1.00 0.00 C ATOM 395 CG GLU A 26 -10.812 -3.594 -9.066 1.00 0.00 C ATOM 396 CD GLU A 26 -9.817 -3.000 -10.052 1.00 0.00 C ATOM 397 OE1 GLU A 26 -8.981 -3.760 -10.584 1.00 0.00 O ATOM 398 OE2 GLU A 26 -9.882 -1.781 -10.322 1.00 0.00 O ATOM 0 H GLU A 26 -9.208 -4.968 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.383 -3.064 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.532 -5.089 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.925 -4.692 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.431 -4.327 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.478 -2.806 -8.714 1.00 0.00 H new ATOM 405 N ALA A 27 -11.114 -2.200 -5.909 1.00 0.00 N ATOM 406 CA ALA A 27 -11.975 -1.078 -5.555 1.00 0.00 C ATOM 407 C ALA A 27 -11.194 0.014 -4.822 1.00 0.00 C ATOM 408 O ALA A 27 -11.377 1.204 -5.088 1.00 0.00 O ATOM 409 CB ALA A 27 -13.148 -1.565 -4.707 1.00 0.00 C ATOM 0 H ALA A 27 -11.414 -3.095 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.362 -0.642 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.785 -0.720 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.727 -2.296 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.770 -2.028 -3.795 1.00 0.00 H new ATOM 415 N PHE A 28 -10.303 -0.399 -3.923 1.00 0.00 N ATOM 416 CA PHE A 28 -9.559 0.539 -3.086 1.00 0.00 C ATOM 417 C PHE A 28 -8.467 1.260 -3.877 1.00 0.00 C ATOM 418 O PHE A 28 -8.276 2.466 -3.715 1.00 0.00 O ATOM 419 CB PHE A 28 -8.945 -0.172 -1.873 1.00 0.00 C ATOM 420 CG PHE A 28 -8.141 0.752 -0.996 1.00 0.00 C ATOM 421 CD1 PHE A 28 -8.774 1.621 -0.119 1.00 0.00 C ATOM 422 CD2 PHE A 28 -6.756 0.769 -1.066 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.040 2.482 0.671 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.018 1.630 -0.280 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.661 2.488 0.590 1.00 0.00 C ATOM 0 H PHE A 28 -10.079 -1.380 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.271 1.285 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.741 -0.624 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.305 -0.984 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.852 1.624 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.248 0.100 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.544 3.151 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.940 1.633 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.086 3.163 1.207 1.00 0.00 H new ATOM 435 N THR A 29 -7.761 0.538 -4.747 1.00 0.00 N ATOM 436 CA THR A 29 -6.645 1.138 -5.471 1.00 0.00 C ATOM 437 C THR A 29 -7.218 2.082 -6.508 1.00 0.00 C ATOM 438 O THR A 29 -6.747 3.199 -6.684 1.00 0.00 O ATOM 439 CB THR A 29 -5.709 0.092 -6.144 1.00 0.00 C ATOM 440 OG1 THR A 29 -4.578 0.753 -6.732 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.429 -0.713 -7.224 1.00 0.00 C ATOM 0 H THR A 29 -7.938 -0.443 -4.964 1.00 0.00 H new ATOM 0 HA THR A 29 -6.019 1.669 -4.754 1.00 0.00 H new ATOM 0 HB THR A 29 -5.384 -0.597 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.993 0.089 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.737 -1.430 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.270 -1.246 -6.781 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.795 -0.038 -7.998 1.00 0.00 H new ATOM 449 N ARG A 30 -8.288 1.628 -7.140 1.00 0.00 N ATOM 450 CA ARG A 30 -9.059 2.436 -8.064 1.00 0.00 C ATOM 451 C ARG A 30 -9.534 3.717 -7.375 1.00 0.00 C ATOM 452 O ARG A 30 -9.467 4.809 -7.944 1.00 0.00 O ATOM 453 CB ARG A 30 -10.245 1.602 -8.560 1.00 0.00 C ATOM 454 CG ARG A 30 -11.321 2.399 -9.266 1.00 0.00 C ATOM 455 CD ARG A 30 -12.442 1.494 -9.771 1.00 0.00 C ATOM 456 NE ARG A 30 -11.922 0.354 -10.535 1.00 0.00 N ATOM 457 CZ ARG A 30 -12.482 -0.136 -11.640 1.00 0.00 C ATOM 458 NH1 ARG A 30 -13.594 0.398 -12.133 1.00 0.00 N ATOM 459 NH2 ARG A 30 -11.925 -1.171 -12.249 1.00 0.00 N ATOM 0 H ARG A 30 -8.647 0.680 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.444 2.730 -8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.874 0.834 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.691 1.086 -7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.731 3.143 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.884 2.942 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.023 1.129 -8.924 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.121 2.072 -10.398 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.071 -0.095 -10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.029 1.193 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.013 0.013 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.074 -1.587 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.347 -1.552 -13.096 1.00 0.00 H new ATOM 473 N PHE A 31 -9.984 3.570 -6.130 1.00 0.00 N ATOM 474 CA PHE A 31 -10.454 4.700 -5.331 1.00 0.00 C ATOM 475 C PHE A 31 -9.299 5.645 -4.984 1.00 0.00 C ATOM 476 O PHE A 31 -9.497 6.844 -4.811 1.00 0.00 O ATOM 477 CB PHE A 31 -11.129 4.189 -4.048 1.00 0.00 C ATOM 478 CG PHE A 31 -11.661 5.280 -3.151 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.868 5.906 -3.436 1.00 0.00 C ATOM 480 CD2 PHE A 31 -10.955 5.681 -2.023 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.357 6.906 -2.616 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.442 6.679 -1.201 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.644 7.292 -1.499 1.00 0.00 C ATOM 0 H PHE A 31 -10.033 2.671 -5.650 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.182 5.259 -5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.950 3.527 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.411 3.591 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.431 5.608 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.014 5.207 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.296 7.385 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.884 6.980 -0.327 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.025 8.073 -0.858 1.00 0.00 H new ATOM 493 N LEU A 32 -8.092 5.098 -4.886 1.00 0.00 N ATOM 494 CA LEU A 32 -6.911 5.889 -4.539 1.00 0.00 C ATOM 495 C LEU A 32 -6.287 6.517 -5.791 1.00 0.00 C ATOM 496 O LEU A 32 -5.659 7.578 -5.726 1.00 0.00 O ATOM 497 CB LEU A 32 -5.887 5.007 -3.806 1.00 0.00 C ATOM 498 CG LEU A 32 -4.681 5.749 -3.204 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.139 6.794 -2.186 1.00 0.00 C ATOM 500 CD2 LEU A 32 -3.707 4.761 -2.564 1.00 0.00 C ATOM 0 H LEU A 32 -7.903 4.108 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.216 6.699 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.400 4.475 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.517 4.255 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.162 6.267 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.269 7.306 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.788 7.519 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.686 6.303 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.861 5.305 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.215 4.211 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.350 4.061 -3.319 1.00 0.00 H new ATOM 512 N LYS A 33 -6.478 5.864 -6.936 1.00 0.00 N ATOM 513 CA LYS A 33 -5.941 6.355 -8.204 1.00 0.00 C ATOM 514 C LYS A 33 -6.717 7.581 -8.686 1.00 0.00 C ATOM 515 O LYS A 33 -6.232 8.342 -9.524 1.00 0.00 O ATOM 516 CB LYS A 33 -5.972 5.251 -9.276 1.00 0.00 C ATOM 517 CG LYS A 33 -5.074 4.055 -8.955 1.00 0.00 C ATOM 518 CD LYS A 33 -5.073 3.020 -10.074 1.00 0.00 C ATOM 519 CE LYS A 33 -4.290 1.763 -9.695 1.00 0.00 C ATOM 520 NZ LYS A 33 -2.881 2.059 -9.312 1.00 0.00 N ATOM 0 H LYS A 33 -7.002 4.992 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.904 6.646 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.998 4.902 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.667 5.677 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.055 4.403 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.411 3.587 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.100 2.747 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.640 3.459 -10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.791 1.264 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.296 1.069 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.258 1.309 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.595 2.972 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.805 2.103 -8.276 1.00 0.00 H new ATOM 534 N THR A 34 -7.917 7.776 -8.137 1.00 0.00 N ATOM 535 CA THR A 34 -8.756 8.918 -8.499 1.00 0.00 C ATOM 536 C THR A 34 -8.057 10.234 -8.135 1.00 0.00 C ATOM 537 O THR A 34 -8.294 11.271 -8.759 1.00 0.00 O ATOM 538 CB THR A 34 -10.146 8.849 -7.801 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.091 9.691 -8.479 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.065 9.283 -6.339 1.00 0.00 C ATOM 0 H THR A 34 -8.329 7.157 -7.439 1.00 0.00 H new ATOM 0 HA THR A 34 -8.914 8.880 -9.577 1.00 0.00 H new ATOM 0 HB THR A 34 -10.473 7.810 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.960 9.636 -8.029 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.054 9.221 -5.886 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.379 8.628 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.704 10.310 -6.284 1.00 0.00 H new ATOM 548 N GLU A 35 -7.188 10.176 -7.122 1.00 0.00 N ATOM 549 CA GLU A 35 -6.443 11.350 -6.670 1.00 0.00 C ATOM 550 C GLU A 35 -4.953 11.203 -6.989 1.00 0.00 C ATOM 551 O GLU A 35 -4.139 12.043 -6.600 1.00 0.00 O ATOM 552 CB GLU A 35 -6.661 11.569 -5.164 1.00 0.00 C ATOM 553 CG GLU A 35 -6.363 10.346 -4.305 1.00 0.00 C ATOM 554 CD GLU A 35 -6.539 10.622 -2.818 1.00 0.00 C ATOM 555 OE1 GLU A 35 -7.687 10.572 -2.325 1.00 0.00 O ATOM 556 OE2 GLU A 35 -5.530 10.908 -2.138 1.00 0.00 O ATOM 0 H GLU A 35 -6.984 9.324 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.815 12.224 -7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.030 12.394 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.695 11.872 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.022 9.529 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.341 10.015 -4.492 1.00 0.00 H new ATOM 563 N PHE A 36 -4.616 10.129 -7.709 1.00 0.00 N ATOM 564 CA PHE A 36 -3.244 9.867 -8.165 1.00 0.00 C ATOM 565 C PHE A 36 -2.271 9.664 -6.999 1.00 0.00 C ATOM 566 O PHE A 36 -1.065 9.850 -7.154 1.00 0.00 O ATOM 567 CB PHE A 36 -2.750 11.004 -9.077 1.00 0.00 C ATOM 568 CG PHE A 36 -3.503 11.101 -10.381 1.00 0.00 C ATOM 569 CD1 PHE A 36 -4.643 11.883 -10.487 1.00 0.00 C ATOM 570 CD2 PHE A 36 -3.070 10.402 -11.501 1.00 0.00 C ATOM 571 CE1 PHE A 36 -5.336 11.965 -11.679 1.00 0.00 C ATOM 572 CE2 PHE A 36 -3.759 10.483 -12.695 1.00 0.00 C ATOM 573 CZ PHE A 36 -4.893 11.264 -12.784 1.00 0.00 C ATOM 0 H PHE A 36 -5.286 9.415 -7.993 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.270 8.937 -8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.839 11.951 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.691 10.855 -9.288 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.993 12.435 -9.627 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.184 9.788 -11.437 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.223 12.577 -11.747 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.411 9.936 -13.558 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.434 11.327 -13.717 1.00 0.00 H new ATOM 583 N SER A 37 -2.794 9.250 -5.845 1.00 0.00 N ATOM 584 CA SER A 37 -1.961 8.962 -4.672 1.00 0.00 C ATOM 585 C SER A 37 -1.675 7.461 -4.580 1.00 0.00 C ATOM 586 O SER A 37 -1.273 6.947 -3.530 1.00 0.00 O ATOM 587 CB SER A 37 -2.668 9.450 -3.403 1.00 0.00 C ATOM 588 OG SER A 37 -2.991 10.829 -3.497 1.00 0.00 O ATOM 0 H SER A 37 -3.792 9.106 -5.695 1.00 0.00 H new ATOM 0 HA SER A 37 -1.011 9.487 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.577 8.870 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.027 9.282 -2.538 1.00 0.00 H new ATOM 0 HG SER A 37 -3.847 10.996 -3.050 1.00 0.00 H new ATOM 594 N GLU A 38 -1.852 6.780 -5.708 1.00 0.00 N ATOM 595 CA GLU A 38 -1.761 5.324 -5.785 1.00 0.00 C ATOM 596 C GLU A 38 -0.369 4.808 -5.414 1.00 0.00 C ATOM 597 O GLU A 38 -0.227 3.672 -4.961 1.00 0.00 O ATOM 598 CB GLU A 38 -2.131 4.871 -7.201 1.00 0.00 C ATOM 599 CG GLU A 38 -1.258 5.480 -8.293 1.00 0.00 C ATOM 600 CD GLU A 38 -1.701 5.076 -9.687 1.00 0.00 C ATOM 601 OE1 GLU A 38 -1.238 4.031 -10.189 1.00 0.00 O ATOM 602 OE2 GLU A 38 -2.524 5.798 -10.287 1.00 0.00 O ATOM 0 H GLU A 38 -2.064 7.225 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.459 4.905 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.058 3.785 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.172 5.131 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.282 6.566 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.224 5.171 -8.141 1.00 0.00 H new ATOM 609 N GLU A 39 0.645 5.659 -5.583 1.00 0.00 N ATOM 610 CA GLU A 39 2.040 5.280 -5.331 1.00 0.00 C ATOM 611 C GLU A 39 2.229 4.651 -3.947 1.00 0.00 C ATOM 612 O GLU A 39 3.191 3.928 -3.730 1.00 0.00 O ATOM 613 CB GLU A 39 2.973 6.494 -5.477 1.00 0.00 C ATOM 614 CG GLU A 39 3.253 6.902 -6.923 1.00 0.00 C ATOM 615 CD GLU A 39 1.995 7.237 -7.705 1.00 0.00 C ATOM 616 OE1 GLU A 39 1.184 8.043 -7.212 1.00 0.00 O ATOM 617 OE2 GLU A 39 1.827 6.720 -8.831 1.00 0.00 O ATOM 0 H GLU A 39 0.526 6.623 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 39 2.299 4.531 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.532 7.341 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.920 6.271 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.917 7.767 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.781 6.092 -7.426 1.00 0.00 H new ATOM 624 N ASN A 40 1.314 4.929 -3.022 1.00 0.00 N ATOM 625 CA ASN A 40 1.402 4.384 -1.663 1.00 0.00 C ATOM 626 C ASN A 40 1.094 2.882 -1.655 1.00 0.00 C ATOM 627 O ASN A 40 1.942 2.055 -1.282 1.00 0.00 O ATOM 628 CB ASN A 40 0.450 5.130 -0.718 1.00 0.00 C ATOM 629 CG ASN A 40 0.898 6.557 -0.448 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.667 6.814 0.477 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.414 7.498 -1.247 1.00 0.00 N ATOM 0 H ASN A 40 0.504 5.527 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 40 2.423 4.525 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.550 5.142 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.382 4.589 0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.677 8.473 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.222 7.247 -2.004 1.00 0.00 H new ATOM 638 N ILE A 41 -0.115 2.526 -2.078 1.00 0.00 N ATOM 639 CA ILE A 41 -0.514 1.125 -2.127 1.00 0.00 C ATOM 640 C ILE A 41 0.385 0.373 -3.111 1.00 0.00 C ATOM 641 O ILE A 41 0.844 -0.737 -2.832 1.00 0.00 O ATOM 642 CB ILE A 41 -2.015 0.956 -2.506 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.446 -0.516 -2.362 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.296 1.472 -3.915 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.874 -0.793 -2.787 1.00 0.00 C ATOM 0 H ILE A 41 -0.830 3.183 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.394 0.702 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.605 1.557 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.776 -1.138 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.324 -0.818 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.353 1.339 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.042 2.531 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.694 0.915 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.094 -1.852 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.556 -0.201 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.000 -0.526 -3.836 1.00 0.00 H new ATOM 657 N GLU A 42 0.674 1.018 -4.242 1.00 0.00 N ATOM 658 CA GLU A 42 1.583 0.471 -5.246 1.00 0.00 C ATOM 659 C GLU A 42 3.008 0.350 -4.692 1.00 0.00 C ATOM 660 O GLU A 42 3.784 -0.497 -5.145 1.00 0.00 O ATOM 661 CB GLU A 42 1.574 1.349 -6.514 1.00 0.00 C ATOM 662 CG GLU A 42 0.649 0.854 -7.628 1.00 0.00 C ATOM 663 CD GLU A 42 -0.811 0.721 -7.213 1.00 0.00 C ATOM 664 OE1 GLU A 42 -1.502 1.752 -7.118 1.00 0.00 O ATOM 665 OE2 GLU A 42 -1.282 -0.422 -7.026 1.00 0.00 O ATOM 0 H GLU A 42 0.286 1.929 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 42 1.235 -0.528 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.277 2.361 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.590 1.410 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.714 1.541 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.006 -0.115 -7.978 1.00 0.00 H new ATOM 672 N PHE A 43 3.347 1.199 -3.717 1.00 0.00 N ATOM 673 CA PHE A 43 4.663 1.160 -3.074 1.00 0.00 C ATOM 674 C PHE A 43 4.907 -0.199 -2.442 1.00 0.00 C ATOM 675 O PHE A 43 5.863 -0.894 -2.793 1.00 0.00 O ATOM 676 CB PHE A 43 4.792 2.262 -2.006 1.00 0.00 C ATOM 677 CG PHE A 43 6.048 2.177 -1.168 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.248 2.696 -1.629 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.022 1.582 0.088 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.393 2.623 -0.857 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.163 1.506 0.860 1.00 0.00 C ATOM 682 CZ PHE A 43 8.350 2.028 0.387 1.00 0.00 C ATOM 0 H PHE A 43 2.726 1.923 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 43 5.414 1.335 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.764 3.234 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.926 2.214 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.289 3.163 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.096 1.174 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.321 3.032 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.127 1.039 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.244 1.971 0.990 1.00 0.00 H new ATOM 692 N TRP A 44 4.041 -0.598 -1.513 1.00 0.00 N ATOM 693 CA TRP A 44 4.261 -1.868 -0.827 1.00 0.00 C ATOM 694 C TRP A 44 3.933 -3.060 -1.727 1.00 0.00 C ATOM 695 O TRP A 44 4.325 -4.189 -1.429 1.00 0.00 O ATOM 696 CB TRP A 44 3.540 -1.947 0.529 1.00 0.00 C ATOM 697 CG TRP A 44 2.047 -1.792 0.510 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.340 -0.703 0.930 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.078 -2.763 0.093 1.00 0.00 C ATOM 700 NE1 TRP A 44 -0.004 -0.937 0.806 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.191 -2.191 0.282 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.158 -4.061 -0.429 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.365 -2.867 -0.030 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.009 -4.730 -0.736 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.258 -4.131 -0.538 1.00 0.00 C ATOM 0 H TRP A 44 3.209 -0.082 -1.226 1.00 0.00 H new ATOM 0 HA TRP A 44 5.326 -1.918 -0.601 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.776 -2.909 0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.954 -1.176 1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 44 1.777 0.211 1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.745 -0.285 1.062 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.118 -4.530 -0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.330 -2.408 0.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.042 -5.732 -1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.154 -4.678 -0.791 1.00 0.00 H new ATOM 716 N ILE A 45 3.233 -2.814 -2.834 1.00 0.00 N ATOM 717 CA ILE A 45 3.072 -3.838 -3.868 1.00 0.00 C ATOM 718 C ILE A 45 4.408 -4.041 -4.589 1.00 0.00 C ATOM 719 O ILE A 45 4.789 -5.167 -4.934 1.00 0.00 O ATOM 720 CB ILE A 45 1.964 -3.463 -4.890 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.588 -3.453 -4.200 1.00 0.00 C ATOM 722 CG2 ILE A 45 1.964 -4.425 -6.081 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.559 -3.065 -5.111 1.00 0.00 C ATOM 0 H ILE A 45 2.773 -1.927 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 45 2.764 -4.765 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 45 2.173 -2.463 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.392 -4.444 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.620 -2.760 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.178 -4.139 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.930 -4.382 -6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.783 -5.440 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.492 -3.082 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.390 -2.062 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.621 -3.771 -5.939 1.00 0.00 H new ATOM 735 N ALA A 46 5.133 -2.939 -4.785 1.00 0.00 N ATOM 736 CA ALA A 46 6.469 -2.987 -5.370 1.00 0.00 C ATOM 737 C ALA A 46 7.417 -3.744 -4.443 1.00 0.00 C ATOM 738 O ALA A 46 8.398 -4.339 -4.890 1.00 0.00 O ATOM 739 CB ALA A 46 6.989 -1.578 -5.645 1.00 0.00 C ATOM 0 H ALA A 46 4.814 -2.000 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 46 6.416 -3.516 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.986 -1.637 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.319 -1.072 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.034 -1.018 -4.711 1.00 0.00 H new ATOM 745 N CYS A 47 7.106 -3.721 -3.146 1.00 0.00 N ATOM 746 CA CYS A 47 7.864 -4.485 -2.157 1.00 0.00 C ATOM 747 C CYS A 47 7.753 -5.980 -2.453 1.00 0.00 C ATOM 748 O CYS A 47 8.664 -6.754 -2.143 1.00 0.00 O ATOM 749 CB CYS A 47 7.376 -4.184 -0.733 1.00 0.00 C ATOM 750 SG CYS A 47 8.270 -5.088 0.557 1.00 0.00 S ATOM 0 H CYS A 47 6.333 -3.181 -2.757 1.00 0.00 H new ATOM 0 HA CYS A 47 8.910 -4.186 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.471 -3.114 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.316 -4.427 -0.664 1.00 0.00 H new ATOM 0 HG CYS A 47 8.817 -6.150 0.043 1.00 0.00 H new ATOM 756 N GLU A 48 6.635 -6.390 -3.058 1.00 0.00 N ATOM 757 CA GLU A 48 6.482 -7.773 -3.493 1.00 0.00 C ATOM 758 C GLU A 48 7.364 -8.032 -4.708 1.00 0.00 C ATOM 759 O GLU A 48 8.004 -9.077 -4.809 1.00 0.00 O ATOM 760 CB GLU A 48 5.020 -8.126 -3.807 1.00 0.00 C ATOM 761 CG GLU A 48 4.089 -8.033 -2.604 1.00 0.00 C ATOM 762 CD GLU A 48 2.863 -8.923 -2.751 1.00 0.00 C ATOM 763 OE1 GLU A 48 1.854 -8.474 -3.330 1.00 0.00 O ATOM 764 OE2 GLU A 48 2.917 -10.090 -2.299 1.00 0.00 O ATOM 0 H GLU A 48 5.834 -5.790 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 48 6.795 -8.415 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.655 -7.459 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.979 -9.139 -4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.634 -8.315 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.771 -6.999 -2.473 1.00 0.00 H new ATOM 771 N ASP A 49 7.407 -7.065 -5.625 1.00 0.00 N ATOM 772 CA ASP A 49 8.316 -7.139 -6.774 1.00 0.00 C ATOM 773 C ASP A 49 9.767 -7.180 -6.302 1.00 0.00 C ATOM 774 O ASP A 49 10.644 -7.705 -6.990 1.00 0.00 O ATOM 775 CB ASP A 49 8.110 -5.956 -7.729 1.00 0.00 C ATOM 776 CG ASP A 49 6.899 -6.133 -8.630 1.00 0.00 C ATOM 777 OD1 ASP A 49 7.037 -6.778 -9.692 1.00 0.00 O ATOM 778 OD2 ASP A 49 5.812 -5.619 -8.294 1.00 0.00 O ATOM 0 H ASP A 49 6.828 -6.226 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 49 8.089 -8.057 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.995 -5.041 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.001 -5.832 -8.345 1.00 0.00 H new ATOM 783 N PHE A 50 10.005 -6.618 -5.124 1.00 0.00 N ATOM 784 CA PHE A 50 11.325 -6.621 -4.505 1.00 0.00 C ATOM 785 C PHE A 50 11.670 -8.009 -3.955 1.00 0.00 C ATOM 786 O PHE A 50 12.770 -8.516 -4.178 1.00 0.00 O ATOM 787 CB PHE A 50 11.375 -5.568 -3.384 1.00 0.00 C ATOM 788 CG PHE A 50 12.637 -5.601 -2.556 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.815 -5.047 -3.033 1.00 0.00 C ATOM 790 CD2 PHE A 50 12.640 -6.183 -1.294 1.00 0.00 C ATOM 791 CE1 PHE A 50 14.968 -5.074 -2.274 1.00 0.00 C ATOM 792 CE2 PHE A 50 13.791 -6.214 -0.532 1.00 0.00 C ATOM 793 CZ PHE A 50 14.955 -5.658 -1.022 1.00 0.00 C ATOM 0 H PHE A 50 9.289 -6.147 -4.571 1.00 0.00 H new ATOM 0 HA PHE A 50 12.066 -6.370 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.271 -4.578 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.519 -5.714 -2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.831 -4.588 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.731 -6.616 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.879 -4.639 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.780 -6.673 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.856 -5.679 -0.427 1.00 0.00 H new ATOM 803 N LYS A 51 10.723 -8.627 -3.247 1.00 0.00 N ATOM 804 CA LYS A 51 10.972 -9.914 -2.589 1.00 0.00 C ATOM 805 C LYS A 51 11.114 -11.048 -3.612 1.00 0.00 C ATOM 806 O LYS A 51 11.726 -12.076 -3.324 1.00 0.00 O ATOM 807 CB LYS A 51 9.848 -10.245 -1.586 1.00 0.00 C ATOM 808 CG LYS A 51 8.501 -10.554 -2.235 1.00 0.00 C ATOM 809 CD LYS A 51 7.403 -10.816 -1.201 1.00 0.00 C ATOM 810 CE LYS A 51 6.061 -11.109 -1.870 1.00 0.00 C ATOM 811 NZ LYS A 51 4.957 -11.265 -0.883 1.00 0.00 N ATOM 0 H LYS A 51 9.780 -8.261 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 51 11.913 -9.825 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.154 -11.101 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.726 -9.404 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.206 -9.719 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.603 -11.426 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.688 -11.659 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.303 -9.949 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.817 -10.300 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.145 -12.019 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.051 -11.025 -1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.927 -12.249 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.121 -10.630 -0.076 1.00 0.00 H new ATOM 825 N LYS A 52 10.550 -10.857 -4.806 1.00 0.00 N ATOM 826 CA LYS A 52 10.573 -11.895 -5.842 1.00 0.00 C ATOM 827 C LYS A 52 11.801 -11.776 -6.749 1.00 0.00 C ATOM 828 O LYS A 52 11.895 -12.483 -7.757 1.00 0.00 O ATOM 829 CB LYS A 52 9.295 -11.842 -6.695 1.00 0.00 C ATOM 830 CG LYS A 52 9.058 -10.491 -7.363 1.00 0.00 C ATOM 831 CD LYS A 52 7.893 -10.529 -8.349 1.00 0.00 C ATOM 832 CE LYS A 52 8.282 -11.214 -9.654 1.00 0.00 C ATOM 833 NZ LYS A 52 7.123 -11.364 -10.571 1.00 0.00 N ATOM 0 H LYS A 52 10.073 -9.998 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 52 10.626 -12.854 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.350 -12.613 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.438 -12.081 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.860 -9.740 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.964 -10.183 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.052 -11.055 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.559 -9.513 -8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.063 -10.636 -10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.702 -12.196 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.431 -11.834 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.388 -11.937 -10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.738 -10.426 -10.800 1.00 0.00 H new ATOM 847 N SER A 53 12.736 -10.894 -6.397 1.00 0.00 N ATOM 848 CA SER A 53 13.956 -10.723 -7.184 1.00 0.00 C ATOM 849 C SER A 53 14.672 -12.065 -7.359 1.00 0.00 C ATOM 850 O SER A 53 15.062 -12.705 -6.380 1.00 0.00 O ATOM 851 CB SER A 53 14.886 -9.701 -6.519 1.00 0.00 C ATOM 852 OG SER A 53 14.266 -8.427 -6.435 1.00 0.00 O ATOM 0 H SER A 53 12.673 -10.290 -5.577 1.00 0.00 H new ATOM 0 HA SER A 53 13.681 -10.347 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.155 -10.045 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.812 -9.622 -7.089 1.00 0.00 H new ATOM 0 HG SER A 53 13.678 -8.401 -5.652 1.00 0.00 H new ATOM 858 N LYS A 54 14.822 -12.489 -8.614 1.00 0.00 N ATOM 859 CA LYS A 54 15.402 -13.793 -8.932 1.00 0.00 C ATOM 860 C LYS A 54 16.884 -13.862 -8.557 1.00 0.00 C ATOM 861 O LYS A 54 17.440 -14.952 -8.408 1.00 0.00 O ATOM 862 CB LYS A 54 15.187 -14.122 -10.426 1.00 0.00 C ATOM 863 CG LYS A 54 15.738 -13.079 -11.410 1.00 0.00 C ATOM 864 CD LYS A 54 17.240 -13.233 -11.657 1.00 0.00 C ATOM 865 CE LYS A 54 17.773 -12.174 -12.618 1.00 0.00 C ATOM 866 NZ LYS A 54 17.132 -12.250 -13.960 1.00 0.00 N ATOM 0 H LYS A 54 14.548 -11.944 -9.431 1.00 0.00 H new ATOM 0 HA LYS A 54 14.889 -14.545 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.654 -15.083 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.118 -14.239 -10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.208 -13.165 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.539 -12.080 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.772 -13.163 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.441 -14.225 -12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.604 -11.184 -12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.851 -12.295 -12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.640 -11.631 -14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.166 -13.230 -14.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.141 -11.943 -13.889 1.00 0.00 H new ATOM 880 N GLY A 55 17.518 -12.702 -8.398 1.00 0.00 N ATOM 881 CA GLY A 55 18.942 -12.662 -8.100 1.00 0.00 C ATOM 882 C GLY A 55 19.249 -11.859 -6.848 1.00 0.00 C ATOM 883 O GLY A 55 18.543 -10.894 -6.543 1.00 0.00 O ATOM 0 H GLY A 55 17.071 -11.788 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.313 -13.679 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.476 -12.229 -8.946 1.00 0.00 H new ATOM 887 N PRO A 56 20.308 -12.231 -6.103 1.00 0.00 N ATOM 888 CA PRO A 56 20.687 -11.541 -4.863 1.00 0.00 C ATOM 889 C PRO A 56 21.195 -10.123 -5.129 1.00 0.00 C ATOM 890 O PRO A 56 20.996 -9.216 -4.317 1.00 0.00 O ATOM 891 CB PRO A 56 21.798 -12.428 -4.279 1.00 0.00 C ATOM 892 CG PRO A 56 22.367 -13.148 -5.456 1.00 0.00 C ATOM 893 CD PRO A 56 21.217 -13.356 -6.408 1.00 0.00 C ATOM 0 HA PRO A 56 19.842 -11.414 -4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.558 -11.831 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.401 -13.126 -3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.161 -12.566 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 56 22.804 -14.101 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.547 -13.335 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.732 -14.319 -6.247 1.00 0.00 H new ATOM 901 N GLN A 57 21.845 -9.931 -6.275 1.00 0.00 N ATOM 902 CA GLN A 57 22.333 -8.610 -6.660 1.00 0.00 C ATOM 903 C GLN A 57 21.155 -7.718 -7.041 1.00 0.00 C ATOM 904 O GLN A 57 21.162 -6.513 -6.774 1.00 0.00 O ATOM 905 CB GLN A 57 23.328 -8.711 -7.827 1.00 0.00 C ATOM 906 CG GLN A 57 24.554 -9.579 -7.539 1.00 0.00 C ATOM 907 CD GLN A 57 25.454 -9.031 -6.435 1.00 0.00 C ATOM 908 OE1 GLN A 57 24.995 -8.380 -5.495 1.00 0.00 O ATOM 909 NE2 GLN A 57 26.749 -9.289 -6.547 1.00 0.00 N ATOM 0 H GLN A 57 22.045 -10.670 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 57 22.856 -8.170 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 57 22.809 -9.114 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 57 23.662 -7.708 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 57 24.222 -10.579 -7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 57 25.138 -9.680 -8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 57 27.094 -9.831 -7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 57 27.400 -8.945 -5.841 1.00 0.00 H new ATOM 918 N GLN A 58 20.136 -8.332 -7.642 1.00 0.00 N ATOM 919 CA GLN A 58 18.923 -7.623 -8.045 1.00 0.00 C ATOM 920 C GLN A 58 18.268 -6.970 -6.830 1.00 0.00 C ATOM 921 O GLN A 58 17.662 -5.902 -6.935 1.00 0.00 O ATOM 922 CB GLN A 58 17.941 -8.590 -8.726 1.00 0.00 C ATOM 923 CG GLN A 58 16.731 -7.904 -9.357 1.00 0.00 C ATOM 924 CD GLN A 58 17.116 -6.944 -10.470 1.00 0.00 C ATOM 925 OE1 GLN A 58 18.115 -7.144 -11.160 1.00 0.00 O ATOM 926 NE2 GLN A 58 16.323 -5.902 -10.659 1.00 0.00 N ATOM 0 H GLN A 58 20.128 -9.328 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 58 19.193 -6.844 -8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.472 -9.148 -9.497 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.592 -9.315 -7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.055 -8.661 -9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.184 -7.360 -8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.504 -5.770 -10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.531 -5.230 -11.398 1.00 0.00 H new ATOM 935 N ILE A 59 18.410 -7.621 -5.676 1.00 0.00 N ATOM 936 CA ILE A 59 17.922 -7.080 -4.410 1.00 0.00 C ATOM 937 C ILE A 59 18.504 -5.686 -4.163 1.00 0.00 C ATOM 938 O ILE A 59 17.782 -4.756 -3.804 1.00 0.00 O ATOM 939 CB ILE A 59 18.288 -8.015 -3.224 1.00 0.00 C ATOM 940 CG1 ILE A 59 17.556 -9.364 -3.351 1.00 0.00 C ATOM 941 CG2 ILE A 59 17.973 -7.356 -1.881 1.00 0.00 C ATOM 942 CD1 ILE A 59 16.048 -9.258 -3.232 1.00 0.00 C ATOM 0 H ILE A 59 18.863 -8.531 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 59 16.836 -7.010 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 59 19.362 -8.199 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.804 -9.812 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.925 -10.040 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.240 -8.035 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.546 -6.434 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 59 16.908 -7.129 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.605 -10.249 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.788 -8.841 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 59 15.666 -8.608 -4.019 1.00 0.00 H new ATOM 954 N HIS A 60 19.808 -5.547 -4.389 1.00 0.00 N ATOM 955 CA HIS A 60 20.496 -4.274 -4.172 1.00 0.00 C ATOM 956 C HIS A 60 19.992 -3.228 -5.166 1.00 0.00 C ATOM 957 O HIS A 60 19.769 -2.070 -4.808 1.00 0.00 O ATOM 958 CB HIS A 60 22.020 -4.442 -4.316 1.00 0.00 C ATOM 959 CG HIS A 60 22.635 -5.357 -3.296 1.00 0.00 C ATOM 960 ND1 HIS A 60 22.553 -6.702 -3.147 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 23.464 -4.917 -2.286 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 23.322 -7.042 -2.063 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 23.865 -5.947 -1.564 1.00 0.00 N flip ATOM 0 H HIS A 60 20.411 -6.299 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 60 20.280 -3.939 -3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.240 -4.826 -5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.492 -3.462 -4.241 1.00 0.00 H new ATOM 0 HD1 HIS A 60 22.018 -7.343 -3.733 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.742 -3.888 -2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 60 23.461 -8.042 -1.680 1.00 0.00 H new ATOM 972 N LEU A 61 19.797 -3.662 -6.410 1.00 0.00 N ATOM 973 CA LEU A 61 19.346 -2.777 -7.483 1.00 0.00 C ATOM 974 C LEU A 61 17.943 -2.237 -7.196 1.00 0.00 C ATOM 975 O LEU A 61 17.705 -1.027 -7.263 1.00 0.00 O ATOM 976 CB LEU A 61 19.357 -3.523 -8.828 1.00 0.00 C ATOM 977 CG LEU A 61 20.712 -4.133 -9.233 1.00 0.00 C ATOM 978 CD1 LEU A 61 20.602 -4.855 -10.574 1.00 0.00 C ATOM 979 CD2 LEU A 61 21.804 -3.064 -9.281 1.00 0.00 C ATOM 0 H LEU A 61 19.946 -4.628 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 61 20.034 -1.933 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.616 -4.321 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.040 -2.833 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 61 20.991 -4.864 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.571 -5.278 -10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 61 19.866 -5.655 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.291 -4.148 -11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 61 22.750 -3.523 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 61 21.534 -2.300 -10.010 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.908 -2.606 -8.297 1.00 0.00 H new ATOM 991 N LYS A 62 17.024 -3.141 -6.864 1.00 0.00 N ATOM 992 CA LYS A 62 15.638 -2.770 -6.591 1.00 0.00 C ATOM 993 C LYS A 62 15.545 -1.901 -5.339 1.00 0.00 C ATOM 994 O LYS A 62 14.822 -0.907 -5.319 1.00 0.00 O ATOM 995 CB LYS A 62 14.765 -4.024 -6.423 1.00 0.00 C ATOM 996 CG LYS A 62 14.663 -4.921 -7.665 1.00 0.00 C ATOM 997 CD LYS A 62 13.600 -4.451 -8.671 1.00 0.00 C ATOM 998 CE LYS A 62 14.006 -3.187 -9.427 1.00 0.00 C ATOM 999 NZ LYS A 62 13.026 -2.833 -10.490 1.00 0.00 N ATOM 0 H LYS A 62 17.216 -4.139 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 62 15.271 -2.196 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.162 -4.616 -5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.761 -3.712 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.633 -4.954 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.431 -5.939 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.409 -5.250 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.665 -4.266 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.095 -2.358 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.989 -3.332 -9.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.340 -1.970 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.960 -3.613 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.093 -2.669 -10.061 1.00 0.00 H new ATOM 1013 N ALA A 63 16.287 -2.282 -4.302 1.00 0.00 N ATOM 1014 CA ALA A 63 16.295 -1.534 -3.048 1.00 0.00 C ATOM 1015 C ALA A 63 16.736 -0.092 -3.280 1.00 0.00 C ATOM 1016 O ALA A 63 16.103 0.848 -2.794 1.00 0.00 O ATOM 1017 CB ALA A 63 17.205 -2.210 -2.031 1.00 0.00 C ATOM 0 H ALA A 63 16.890 -3.104 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 63 15.279 -1.521 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.200 -1.640 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.847 -3.221 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.221 -2.254 -2.424 1.00 0.00 H new ATOM 1023 N LYS A 64 17.819 0.073 -4.035 1.00 0.00 N ATOM 1024 CA LYS A 64 18.347 1.397 -4.353 1.00 0.00 C ATOM 1025 C LYS A 64 17.328 2.190 -5.175 1.00 0.00 C ATOM 1026 O LYS A 64 17.172 3.396 -4.988 1.00 0.00 O ATOM 1027 CB LYS A 64 19.689 1.275 -5.111 1.00 0.00 C ATOM 1028 CG LYS A 64 20.858 1.986 -4.427 1.00 0.00 C ATOM 1029 CD LYS A 64 20.667 3.502 -4.391 1.00 0.00 C ATOM 1030 CE LYS A 64 21.802 4.196 -3.645 1.00 0.00 C ATOM 1031 NZ LYS A 64 21.668 5.678 -3.669 1.00 0.00 N ATOM 0 H LYS A 64 18.350 -0.698 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 64 18.530 1.934 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.936 0.219 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.566 1.683 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.965 1.610 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.783 1.750 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.613 3.886 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.718 3.738 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.819 3.851 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.755 3.912 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.177 6.086 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.071 6.049 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.662 5.937 -3.612 1.00 0.00 H new ATOM 1045 N ALA A 65 16.622 1.494 -6.065 1.00 0.00 N ATOM 1046 CA ALA A 65 15.601 2.118 -6.903 1.00 0.00 C ATOM 1047 C ALA A 65 14.479 2.694 -6.042 1.00 0.00 C ATOM 1048 O ALA A 65 14.121 3.870 -6.165 1.00 0.00 O ATOM 1049 CB ALA A 65 15.049 1.107 -7.905 1.00 0.00 C ATOM 0 H ALA A 65 16.740 0.493 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 65 16.058 2.938 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.289 1.585 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.858 0.745 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.605 0.268 -7.369 1.00 0.00 H new ATOM 1055 N ILE A 66 13.944 1.854 -5.158 1.00 0.00 N ATOM 1056 CA ILE A 66 12.885 2.262 -4.239 1.00 0.00 C ATOM 1057 C ILE A 66 13.389 3.365 -3.310 1.00 0.00 C ATOM 1058 O ILE A 66 12.654 4.292 -2.961 1.00 0.00 O ATOM 1059 CB ILE A 66 12.381 1.059 -3.395 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.831 -0.047 -4.314 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.319 1.504 -2.387 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.381 -1.294 -3.575 1.00 0.00 C ATOM 0 H ILE A 66 14.230 0.880 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 66 12.053 2.640 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 66 13.225 0.656 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.989 0.351 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.600 -0.322 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.983 0.643 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.745 2.249 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.472 1.937 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.007 -2.026 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.224 -1.718 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.588 -1.035 -2.873 1.00 0.00 H new ATOM 1074 N TYR A 67 14.658 3.263 -2.931 1.00 0.00 N ATOM 1075 CA TYR A 67 15.288 4.251 -2.067 1.00 0.00 C ATOM 1076 C TYR A 67 15.223 5.639 -2.705 1.00 0.00 C ATOM 1077 O TYR A 67 14.554 6.540 -2.188 1.00 0.00 O ATOM 1078 CB TYR A 67 16.748 3.860 -1.789 1.00 0.00 C ATOM 1079 CG TYR A 67 17.489 4.843 -0.902 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.440 4.733 0.481 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.231 5.885 -1.449 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.107 5.631 1.290 1.00 0.00 C ATOM 1083 CE2 TYR A 67 18.898 6.788 -0.646 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.833 6.656 0.723 1.00 0.00 C ATOM 1085 OH TYR A 67 19.493 7.558 1.530 1.00 0.00 O ATOM 0 H TYR A 67 15.273 2.500 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 67 14.747 4.280 -1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.767 2.876 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.277 3.771 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.871 3.933 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.286 5.989 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 67 18.060 5.531 2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.467 7.592 -1.088 1.00 0.00 H new ATOM 0 HH TYR A 67 19.074 8.440 1.446 1.00 0.00 H new ATOM 1095 N GLU A 68 15.895 5.771 -3.848 1.00 0.00 N ATOM 1096 CA GLU A 68 16.044 7.051 -4.544 1.00 0.00 C ATOM 1097 C GLU A 68 14.693 7.710 -4.826 1.00 0.00 C ATOM 1098 O GLU A 68 14.544 8.931 -4.697 1.00 0.00 O ATOM 1099 CB GLU A 68 16.776 6.834 -5.881 1.00 0.00 C ATOM 1100 CG GLU A 68 18.170 6.221 -5.752 1.00 0.00 C ATOM 1101 CD GLU A 68 19.210 7.190 -5.214 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.765 7.974 -6.013 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.493 7.163 -3.998 1.00 0.00 O ATOM 0 H GLU A 68 16.353 4.991 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 68 16.619 7.710 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.167 6.188 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.861 7.792 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.118 5.354 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.492 5.860 -6.729 1.00 0.00 H new ATOM 1110 N LYS A 69 13.713 6.898 -5.211 1.00 0.00 N ATOM 1111 CA LYS A 69 12.459 7.414 -5.755 1.00 0.00 C ATOM 1112 C LYS A 69 11.357 7.516 -4.693 1.00 0.00 C ATOM 1113 O LYS A 69 10.365 8.218 -4.901 1.00 0.00 O ATOM 1114 CB LYS A 69 12.007 6.515 -6.923 1.00 0.00 C ATOM 1115 CG LYS A 69 10.975 7.154 -7.853 1.00 0.00 C ATOM 1116 CD LYS A 69 10.686 6.259 -9.061 1.00 0.00 C ATOM 1117 CE LYS A 69 9.820 6.961 -10.106 1.00 0.00 C ATOM 1118 NZ LYS A 69 8.480 7.332 -9.580 1.00 0.00 N ATOM 0 H LYS A 69 13.762 5.881 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 69 12.638 8.428 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.882 6.236 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.589 5.594 -6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.051 7.337 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.340 8.123 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.627 5.953 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.184 5.351 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.332 7.859 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.699 6.308 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.926 7.789 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.985 6.476 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.590 7.990 -8.782 1.00 0.00 H new ATOM 1132 N PHE A 70 11.528 6.839 -3.553 1.00 0.00 N ATOM 1133 CA PHE A 70 10.468 6.786 -2.533 1.00 0.00 C ATOM 1134 C PHE A 70 11.000 7.015 -1.115 1.00 0.00 C ATOM 1135 O PHE A 70 10.499 7.881 -0.390 1.00 0.00 O ATOM 1136 CB PHE A 70 9.738 5.436 -2.586 1.00 0.00 C ATOM 1137 CG PHE A 70 8.990 5.185 -3.873 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.739 5.749 -4.086 1.00 0.00 C ATOM 1139 CD2 PHE A 70 9.535 4.383 -4.868 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.049 5.519 -5.261 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.848 4.150 -6.044 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.603 4.719 -6.240 1.00 0.00 C ATOM 0 H PHE A 70 12.376 6.326 -3.312 1.00 0.00 H new ATOM 0 HA PHE A 70 9.776 7.596 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.465 4.637 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.035 5.383 -1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.300 6.375 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.507 3.936 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.077 5.965 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.283 3.524 -6.809 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.064 4.538 -7.158 1.00 0.00 H new ATOM 1152 N ILE A 71 12.007 6.240 -0.716 1.00 0.00 N ATOM 1153 CA ILE A 71 12.451 6.221 0.682 1.00 0.00 C ATOM 1154 C ILE A 71 13.083 7.549 1.083 1.00 0.00 C ATOM 1155 O ILE A 71 12.832 8.060 2.181 1.00 0.00 O ATOM 1156 CB ILE A 71 13.458 5.074 0.950 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.814 3.710 0.642 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.966 5.115 2.394 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.592 3.395 1.488 1.00 0.00 C ATOM 0 H ILE A 71 12.530 5.620 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 71 11.560 6.053 1.287 1.00 0.00 H new ATOM 0 HB ILE A 71 14.313 5.212 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.531 3.684 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.558 2.927 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.671 4.299 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.464 6.067 2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.125 5.008 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.199 2.418 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.871 3.387 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.828 4.155 1.321 1.00 0.00 H new ATOM 1171 N GLN A 72 13.891 8.101 0.181 1.00 0.00 N ATOM 1172 CA GLN A 72 14.599 9.352 0.427 1.00 0.00 C ATOM 1173 C GLN A 72 13.629 10.429 0.925 1.00 0.00 C ATOM 1174 O GLN A 72 12.557 10.625 0.350 1.00 0.00 O ATOM 1175 CB GLN A 72 15.318 9.806 -0.855 1.00 0.00 C ATOM 1176 CG GLN A 72 16.196 11.040 -0.679 1.00 0.00 C ATOM 1177 CD GLN A 72 17.259 10.871 0.400 1.00 0.00 C ATOM 1178 OE1 GLN A 72 17.728 9.764 0.668 1.00 0.00 O ATOM 1179 NE2 GLN A 72 17.647 11.973 1.022 1.00 0.00 N ATOM 0 H GLN A 72 14.072 7.695 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 72 15.346 9.191 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.934 8.985 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.572 10.012 -1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.683 11.270 -1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.566 11.894 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.235 12.872 0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.358 11.923 1.752 1.00 0.00 H new ATOM 1188 N THR A 73 14.008 11.105 2.007 1.00 0.00 N ATOM 1189 CA THR A 73 13.144 12.081 2.665 1.00 0.00 C ATOM 1190 C THR A 73 12.655 13.157 1.690 1.00 0.00 C ATOM 1191 O THR A 73 11.545 13.673 1.827 1.00 0.00 O ATOM 1192 CB THR A 73 13.880 12.745 3.851 1.00 0.00 C ATOM 1193 OG1 THR A 73 14.468 11.731 4.683 1.00 0.00 O ATOM 1194 CG2 THR A 73 12.930 13.599 4.686 1.00 0.00 C ATOM 0 H THR A 73 14.919 10.992 2.451 1.00 0.00 H new ATOM 0 HA THR A 73 12.273 11.542 3.037 1.00 0.00 H new ATOM 0 HB THR A 73 14.657 13.394 3.447 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.936 12.154 5.433 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.479 14.052 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.502 14.383 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.130 12.973 5.082 1.00 0.00 H new ATOM 1202 N ASP A 74 13.480 13.477 0.696 1.00 0.00 N ATOM 1203 CA ASP A 74 13.140 14.505 -0.288 1.00 0.00 C ATOM 1204 C ASP A 74 12.986 13.892 -1.681 1.00 0.00 C ATOM 1205 O ASP A 74 13.262 14.538 -2.694 1.00 0.00 O ATOM 1206 CB ASP A 74 14.212 15.606 -0.292 1.00 0.00 C ATOM 1207 CG ASP A 74 15.569 15.122 -0.778 1.00 0.00 C ATOM 1208 OD1 ASP A 74 16.145 14.215 -0.141 1.00 0.00 O ATOM 1209 OD2 ASP A 74 16.071 15.650 -1.795 1.00 0.00 O ATOM 0 H ASP A 74 14.390 13.040 0.549 1.00 0.00 H new ATOM 0 HA ASP A 74 12.185 14.951 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.878 16.427 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.316 16.006 0.717 1.00 0.00 H new ATOM 1214 N ALA A 75 12.514 12.648 -1.721 1.00 0.00 N ATOM 1215 CA ALA A 75 12.294 11.936 -2.981 1.00 0.00 C ATOM 1216 C ALA A 75 11.275 12.676 -3.863 1.00 0.00 C ATOM 1217 O ALA A 75 10.480 13.467 -3.355 1.00 0.00 O ATOM 1218 CB ALA A 75 11.829 10.512 -2.690 1.00 0.00 C ATOM 0 H ALA A 75 12.275 12.108 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 75 13.234 11.896 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.666 9.983 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.591 9.992 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.898 10.542 -2.124 1.00 0.00 H new ATOM 1224 N PRO A 76 11.285 12.419 -5.196 1.00 0.00 N ATOM 1225 CA PRO A 76 10.431 13.123 -6.171 1.00 0.00 C ATOM 1226 C PRO A 76 8.980 13.292 -5.702 1.00 0.00 C ATOM 1227 O PRO A 76 8.447 14.405 -5.702 1.00 0.00 O ATOM 1228 CB PRO A 76 10.503 12.238 -7.437 1.00 0.00 C ATOM 1229 CG PRO A 76 11.290 11.024 -7.046 1.00 0.00 C ATOM 1230 CD PRO A 76 12.138 11.431 -5.872 1.00 0.00 C ATOM 0 HA PRO A 76 10.779 14.143 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.505 11.963 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.986 12.769 -8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.628 10.200 -6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.911 10.680 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.371 10.585 -5.226 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.088 11.862 -6.187 1.00 0.00 H new ATOM 1238 N LYS A 77 8.333 12.186 -5.334 1.00 0.00 N ATOM 1239 CA LYS A 77 6.979 12.239 -4.770 1.00 0.00 C ATOM 1240 C LYS A 77 7.017 11.947 -3.273 1.00 0.00 C ATOM 1241 O LYS A 77 6.080 12.285 -2.549 1.00 0.00 O ATOM 1242 CB LYS A 77 6.043 11.245 -5.478 1.00 0.00 C ATOM 1243 CG LYS A 77 5.866 11.513 -6.972 1.00 0.00 C ATOM 1244 CD LYS A 77 4.671 10.752 -7.552 1.00 0.00 C ATOM 1245 CE LYS A 77 3.353 11.224 -6.942 1.00 0.00 C ATOM 1246 NZ LYS A 77 2.173 10.532 -7.526 1.00 0.00 N ATOM 0 H LYS A 77 8.720 11.246 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 77 6.589 13.245 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.433 10.236 -5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.066 11.275 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.729 12.582 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.773 11.223 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.642 10.889 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.795 9.685 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.373 11.054 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.251 12.299 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.335 11.141 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.351 10.330 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.007 9.640 -7.018 1.00 0.00 H new ATOM 1260 N GLU A 78 8.124 11.321 -2.843 1.00 0.00 N ATOM 1261 CA GLU A 78 8.386 10.933 -1.446 1.00 0.00 C ATOM 1262 C GLU A 78 7.254 10.107 -0.824 1.00 0.00 C ATOM 1263 O GLU A 78 6.137 10.039 -1.335 1.00 0.00 O ATOM 1264 CB GLU A 78 8.720 12.150 -0.551 1.00 0.00 C ATOM 1265 CG GLU A 78 7.535 13.056 -0.228 1.00 0.00 C ATOM 1266 CD GLU A 78 7.877 14.148 0.770 1.00 0.00 C ATOM 1267 OE1 GLU A 78 8.452 15.179 0.363 1.00 0.00 O ATOM 1268 OE2 GLU A 78 7.566 13.983 1.971 1.00 0.00 O ATOM 0 H GLU A 78 8.883 11.063 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 78 9.266 10.291 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.147 11.788 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.489 12.745 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.173 13.513 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.720 12.451 0.169 1.00 0.00 H new ATOM 1275 N VAL A 79 7.587 9.444 0.278 1.00 0.00 N ATOM 1276 CA VAL A 79 6.620 8.699 1.074 1.00 0.00 C ATOM 1277 C VAL A 79 6.714 9.163 2.524 1.00 0.00 C ATOM 1278 O VAL A 79 7.819 9.333 3.053 1.00 0.00 O ATOM 1279 CB VAL A 79 6.869 7.166 1.001 1.00 0.00 C ATOM 1280 CG1 VAL A 79 5.848 6.402 1.845 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.842 6.679 -0.447 1.00 0.00 C ATOM 0 H VAL A 79 8.538 9.408 0.645 1.00 0.00 H new ATOM 0 HA VAL A 79 5.625 8.891 0.672 1.00 0.00 H new ATOM 0 HB VAL A 79 7.860 6.969 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.046 5.332 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.926 6.719 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.843 6.610 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.019 5.604 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.869 6.897 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.620 7.188 -1.017 1.00 0.00 H new ATOM 1291 N ASN A 80 5.560 9.342 3.167 1.00 0.00 N ATOM 1292 CA ASN A 80 5.495 9.861 4.540 1.00 0.00 C ATOM 1293 C ASN A 80 5.919 8.807 5.569 1.00 0.00 C ATOM 1294 O ASN A 80 5.589 8.914 6.753 1.00 0.00 O ATOM 1295 CB ASN A 80 4.075 10.363 4.857 1.00 0.00 C ATOM 1296 CG ASN A 80 3.608 11.444 3.896 1.00 0.00 C ATOM 1297 OD1 ASN A 80 2.975 11.158 2.878 1.00 0.00 O ATOM 1298 ND2 ASN A 80 3.915 12.692 4.211 1.00 0.00 N ATOM 0 H ASN A 80 4.649 9.134 2.758 1.00 0.00 H new ATOM 0 HA ASN A 80 6.196 10.693 4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.380 9.524 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.050 10.752 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.626 13.458 3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.441 12.888 5.063 1.00 0.00 H new ATOM 1305 N LEU A 81 6.659 7.796 5.106 1.00 0.00 N ATOM 1306 CA LEU A 81 7.230 6.770 5.975 1.00 0.00 C ATOM 1307 C LEU A 81 7.972 7.414 7.148 1.00 0.00 C ATOM 1308 O LEU A 81 8.735 8.364 6.952 1.00 0.00 O ATOM 1309 CB LEU A 81 8.191 5.889 5.157 1.00 0.00 C ATOM 1310 CG LEU A 81 8.962 4.819 5.944 1.00 0.00 C ATOM 1311 CD1 LEU A 81 8.007 3.792 6.538 1.00 0.00 C ATOM 1312 CD2 LEU A 81 10.003 4.144 5.053 1.00 0.00 C ATOM 0 H LEU A 81 6.878 7.668 4.118 1.00 0.00 H new ATOM 0 HA LEU A 81 6.426 6.154 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.618 5.393 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.913 6.538 4.662 1.00 0.00 H new ATOM 0 HG LEU A 81 9.484 5.308 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.575 3.044 7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.310 4.290 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.451 3.306 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.539 3.389 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.505 3.670 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.708 4.891 4.688 1.00 0.00 H new ATOM 1324 N ASP A 82 7.738 6.894 8.356 1.00 0.00 N ATOM 1325 CA ASP A 82 8.340 7.438 9.580 1.00 0.00 C ATOM 1326 C ASP A 82 9.838 7.679 9.421 1.00 0.00 C ATOM 1327 O ASP A 82 10.550 6.872 8.812 1.00 0.00 O ATOM 1328 CB ASP A 82 8.091 6.503 10.775 1.00 0.00 C ATOM 1329 CG ASP A 82 6.659 6.569 11.278 1.00 0.00 C ATOM 1330 OD1 ASP A 82 6.360 7.454 12.108 1.00 0.00 O ATOM 1331 OD2 ASP A 82 5.824 5.748 10.841 1.00 0.00 O ATOM 0 H ASP A 82 7.131 6.090 8.515 1.00 0.00 H new ATOM 0 HA ASP A 82 7.860 8.398 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.324 5.478 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.770 6.767 11.586 1.00 0.00 H new ATOM 1336 N PHE A 83 10.306 8.791 9.989 1.00 0.00 N ATOM 1337 CA PHE A 83 11.705 9.196 9.881 1.00 0.00 C ATOM 1338 C PHE A 83 12.624 8.113 10.435 1.00 0.00 C ATOM 1339 O PHE A 83 13.593 7.726 9.785 1.00 0.00 O ATOM 1340 CB PHE A 83 11.944 10.521 10.622 1.00 0.00 C ATOM 1341 CG PHE A 83 11.180 11.690 10.049 1.00 0.00 C ATOM 1342 CD1 PHE A 83 11.688 12.408 8.974 1.00 0.00 C ATOM 1343 CD2 PHE A 83 9.953 12.070 10.579 1.00 0.00 C ATOM 1344 CE1 PHE A 83 10.993 13.479 8.444 1.00 0.00 C ATOM 1345 CE2 PHE A 83 9.254 13.140 10.052 1.00 0.00 C ATOM 1346 CZ PHE A 83 9.774 13.845 8.983 1.00 0.00 C ATOM 0 H PHE A 83 9.729 9.432 10.533 1.00 0.00 H new ATOM 0 HA PHE A 83 11.934 9.340 8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.666 10.396 11.668 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.009 10.751 10.601 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.639 12.126 8.546 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.540 11.522 11.413 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.402 14.029 7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.302 13.425 10.475 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.229 14.681 8.569 1.00 0.00 H new ATOM 1356 N HIS A 84 12.303 7.617 11.629 1.00 0.00 N ATOM 1357 CA HIS A 84 13.110 6.581 12.276 1.00 0.00 C ATOM 1358 C HIS A 84 13.178 5.321 11.415 1.00 0.00 C ATOM 1359 O HIS A 84 14.217 4.660 11.349 1.00 0.00 O ATOM 1360 CB HIS A 84 12.551 6.233 13.666 1.00 0.00 C ATOM 1361 CG HIS A 84 13.329 5.154 14.365 1.00 0.00 C ATOM 1362 ND1 HIS A 84 14.529 5.386 14.998 1.00 0.00 N ATOM 1363 CD2 HIS A 84 13.080 3.828 14.513 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.987 4.254 15.499 1.00 0.00 C ATOM 1365 NE2 HIS A 84 14.127 3.297 15.221 1.00 0.00 N ATOM 0 H HIS A 84 11.490 7.915 12.169 1.00 0.00 H new ATOM 0 HA HIS A 84 14.118 6.979 12.394 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.550 7.130 14.285 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.513 5.915 13.564 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.219 3.292 14.143 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.911 4.133 16.045 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.224 2.318 15.489 1.00 0.00 H new ATOM 1374 N THR A 85 12.071 4.995 10.755 1.00 0.00 N ATOM 1375 CA THR A 85 12.004 3.799 9.927 1.00 0.00 C ATOM 1376 C THR A 85 12.905 3.935 8.700 1.00 0.00 C ATOM 1377 O THR A 85 13.717 3.052 8.414 1.00 0.00 O ATOM 1378 CB THR A 85 10.554 3.509 9.485 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.694 3.508 10.631 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.450 2.162 8.771 1.00 0.00 C ATOM 0 H THR A 85 11.210 5.542 10.778 1.00 0.00 H new ATOM 0 HA THR A 85 12.356 2.962 10.530 1.00 0.00 H new ATOM 0 HB THR A 85 10.249 4.290 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.773 3.325 10.349 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.416 1.987 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.087 2.169 7.887 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.772 1.368 9.444 1.00 0.00 H new ATOM 1388 N LYS A 86 12.777 5.052 7.980 1.00 0.00 N ATOM 1389 CA LYS A 86 13.606 5.279 6.799 1.00 0.00 C ATOM 1390 C LYS A 86 15.042 5.593 7.208 1.00 0.00 C ATOM 1391 O LYS A 86 15.966 5.423 6.419 1.00 0.00 O ATOM 1392 CB LYS A 86 13.031 6.389 5.900 1.00 0.00 C ATOM 1393 CG LYS A 86 12.930 7.765 6.554 1.00 0.00 C ATOM 1394 CD LYS A 86 12.526 8.839 5.541 1.00 0.00 C ATOM 1395 CE LYS A 86 11.183 8.530 4.884 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.877 9.464 3.766 1.00 0.00 N ATOM 0 H LYS A 86 12.118 5.801 8.191 1.00 0.00 H new ATOM 0 HA LYS A 86 13.606 4.360 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.653 6.472 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.037 6.088 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.199 7.732 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.889 8.028 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.471 9.806 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.295 8.920 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.191 7.507 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.392 8.589 5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.908 9.295 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.960 10.445 4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.549 9.306 2.988 1.00 0.00 H new ATOM 1410 N GLU A 87 15.221 6.039 8.451 1.00 0.00 N ATOM 1411 CA GLU A 87 16.552 6.248 9.017 1.00 0.00 C ATOM 1412 C GLU A 87 17.330 4.936 8.965 1.00 0.00 C ATOM 1413 O GLU A 87 18.413 4.858 8.378 1.00 0.00 O ATOM 1414 CB GLU A 87 16.440 6.747 10.466 1.00 0.00 C ATOM 1415 CG GLU A 87 17.775 6.978 11.164 1.00 0.00 C ATOM 1416 CD GLU A 87 18.615 8.056 10.497 1.00 0.00 C ATOM 1417 OE1 GLU A 87 18.225 9.241 10.553 1.00 0.00 O ATOM 1418 OE2 GLU A 87 19.670 7.724 9.918 1.00 0.00 O ATOM 0 H GLU A 87 14.456 6.263 9.088 1.00 0.00 H new ATOM 0 HA GLU A 87 17.080 7.004 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.876 7.680 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.865 6.022 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.593 7.257 12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.337 6.044 11.179 1.00 0.00 H new ATOM 1425 N VAL A 88 16.745 3.897 9.548 1.00 0.00 N ATOM 1426 CA VAL A 88 17.334 2.566 9.511 1.00 0.00 C ATOM 1427 C VAL A 88 17.644 2.174 8.068 1.00 0.00 C ATOM 1428 O VAL A 88 18.764 1.779 7.750 1.00 0.00 O ATOM 1429 CB VAL A 88 16.392 1.513 10.148 1.00 0.00 C ATOM 1430 CG1 VAL A 88 17.028 0.120 10.128 1.00 0.00 C ATOM 1431 CG2 VAL A 88 16.022 1.921 11.572 1.00 0.00 C ATOM 0 H VAL A 88 15.861 3.952 10.053 1.00 0.00 H new ATOM 0 HA VAL A 88 18.257 2.591 10.091 1.00 0.00 H new ATOM 0 HB VAL A 88 15.479 1.470 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.345 -0.598 10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.231 -0.172 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.961 0.138 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.360 1.171 12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.927 1.998 12.175 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.515 2.886 11.554 1.00 0.00 H new ATOM 1441 N ILE A 89 16.648 2.349 7.197 1.00 0.00 N ATOM 1442 CA ILE A 89 16.766 1.980 5.788 1.00 0.00 C ATOM 1443 C ILE A 89 17.928 2.706 5.104 1.00 0.00 C ATOM 1444 O ILE A 89 18.695 2.091 4.371 1.00 0.00 O ATOM 1445 CB ILE A 89 15.451 2.261 5.012 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.284 1.466 5.629 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.611 1.918 3.529 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.946 1.716 4.960 1.00 0.00 C ATOM 0 H ILE A 89 15.743 2.748 7.448 1.00 0.00 H new ATOM 0 HA ILE A 89 16.965 0.909 5.767 1.00 0.00 H new ATOM 0 HB ILE A 89 15.227 3.325 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.513 0.402 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.203 1.720 6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.677 2.123 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.409 2.524 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.861 0.862 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.177 1.120 5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.692 2.773 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.007 1.434 3.909 1.00 0.00 H new ATOM 1460 N THR A 90 18.073 4.010 5.356 1.00 0.00 N ATOM 1461 CA THR A 90 19.125 4.798 4.706 1.00 0.00 C ATOM 1462 C THR A 90 20.510 4.261 5.070 1.00 0.00 C ATOM 1463 O THR A 90 21.456 4.371 4.286 1.00 0.00 O ATOM 1464 CB THR A 90 19.049 6.311 5.062 1.00 0.00 C ATOM 1465 OG1 THR A 90 19.116 6.501 6.479 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.773 6.953 4.527 1.00 0.00 C ATOM 0 H THR A 90 17.482 4.538 5.998 1.00 0.00 H new ATOM 0 HA THR A 90 18.961 4.699 3.633 1.00 0.00 H new ATOM 0 HB THR A 90 19.904 6.794 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.090 5.630 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.757 8.009 4.796 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.743 6.854 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.906 6.455 4.960 1.00 0.00 H new ATOM 1474 N ASN A 91 20.624 3.671 6.260 1.00 0.00 N ATOM 1475 CA ASN A 91 21.898 3.113 6.714 1.00 0.00 C ATOM 1476 C ASN A 91 22.068 1.657 6.270 1.00 0.00 C ATOM 1477 O ASN A 91 23.169 1.241 5.901 1.00 0.00 O ATOM 1478 CB ASN A 91 22.023 3.217 8.243 1.00 0.00 C ATOM 1479 CG ASN A 91 22.055 4.660 8.732 1.00 0.00 C ATOM 1480 OD1 ASN A 91 23.109 5.301 8.753 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.908 5.176 9.142 1.00 0.00 N ATOM 0 H ASN A 91 19.856 3.567 6.923 1.00 0.00 H new ATOM 0 HA ASN A 91 22.692 3.700 6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.185 2.698 8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.932 2.708 8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.875 6.134 9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.056 4.616 9.110 1.00 0.00 H new ATOM 1488 N SER A 92 20.983 0.885 6.287 1.00 0.00 N ATOM 1489 CA SER A 92 21.052 -0.548 5.987 1.00 0.00 C ATOM 1490 C SER A 92 20.607 -0.857 4.552 1.00 0.00 C ATOM 1491 O SER A 92 20.429 -2.022 4.192 1.00 0.00 O ATOM 1492 CB SER A 92 20.187 -1.329 6.986 1.00 0.00 C ATOM 1493 OG SER A 92 18.850 -0.865 6.976 1.00 0.00 O ATOM 0 H SER A 92 20.046 1.225 6.505 1.00 0.00 H new ATOM 0 HA SER A 92 22.093 -0.857 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.208 -2.390 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.603 -1.227 7.988 1.00 0.00 H new ATOM 0 HG SER A 92 18.811 0.030 7.373 1.00 0.00 H new ATOM 1499 N ILE A 93 20.460 0.183 3.734 1.00 0.00 N ATOM 1500 CA ILE A 93 20.007 0.029 2.345 1.00 0.00 C ATOM 1501 C ILE A 93 20.942 -0.894 1.550 1.00 0.00 C ATOM 1502 O ILE A 93 20.536 -1.511 0.563 1.00 0.00 O ATOM 1503 CB ILE A 93 19.906 1.408 1.634 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.269 1.263 0.239 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.280 2.078 1.537 1.00 0.00 C ATOM 1506 CD1 ILE A 93 17.839 0.756 0.264 1.00 0.00 C ATOM 0 H ILE A 93 20.648 1.148 4.007 1.00 0.00 H new ATOM 0 HA ILE A 93 19.017 -0.425 2.379 1.00 0.00 H new ATOM 0 HB ILE A 93 19.261 2.048 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.292 2.231 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 93 19.875 0.581 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.181 3.041 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.682 2.230 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.956 1.440 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 93 17.462 0.681 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 93 17.810 -0.227 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.217 1.449 0.831 1.00 0.00 H new ATOM 1518 N THR A 94 22.190 -0.987 1.996 1.00 0.00 N ATOM 1519 CA THR A 94 23.196 -1.813 1.332 1.00 0.00 C ATOM 1520 C THR A 94 22.995 -3.304 1.639 1.00 0.00 C ATOM 1521 O THR A 94 23.537 -4.167 0.944 1.00 0.00 O ATOM 1522 CB THR A 94 24.624 -1.384 1.751 1.00 0.00 C ATOM 1523 OG1 THR A 94 25.607 -2.157 1.043 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.821 -1.545 3.256 1.00 0.00 C ATOM 0 H THR A 94 22.533 -0.496 2.822 1.00 0.00 H new ATOM 0 HA THR A 94 23.077 -1.664 0.259 1.00 0.00 H new ATOM 0 HB THR A 94 24.749 -0.332 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.505 -1.874 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.831 -1.237 3.526 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.099 -0.924 3.786 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.674 -2.589 3.533 1.00 0.00 H new ATOM 1532 N GLN A 95 22.202 -3.604 2.668 1.00 0.00 N ATOM 1533 CA GLN A 95 21.963 -4.986 3.096 1.00 0.00 C ATOM 1534 C GLN A 95 20.470 -5.225 3.377 1.00 0.00 C ATOM 1535 O GLN A 95 20.088 -5.625 4.483 1.00 0.00 O ATOM 1536 CB GLN A 95 22.808 -5.305 4.343 1.00 0.00 C ATOM 1537 CG GLN A 95 22.579 -4.346 5.511 1.00 0.00 C ATOM 1538 CD GLN A 95 23.341 -4.748 6.763 1.00 0.00 C ATOM 1539 OE1 GLN A 95 24.482 -4.334 6.973 1.00 0.00 O ATOM 1540 NE2 GLN A 95 22.718 -5.560 7.603 1.00 0.00 N ATOM 0 H GLN A 95 21.711 -2.905 3.225 1.00 0.00 H new ATOM 0 HA GLN A 95 22.262 -5.654 2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.585 -6.320 4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.863 -5.283 4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 95 22.881 -3.341 5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 95 21.514 -4.305 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.773 -5.882 7.395 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.183 -5.864 8.458 1.00 0.00 H new ATOM 1549 N PRO A 96 19.601 -5.010 2.369 1.00 0.00 N ATOM 1550 CA PRO A 96 18.153 -5.127 2.537 1.00 0.00 C ATOM 1551 C PRO A 96 17.671 -6.579 2.454 1.00 0.00 C ATOM 1552 O PRO A 96 17.908 -7.272 1.462 1.00 0.00 O ATOM 1553 CB PRO A 96 17.610 -4.295 1.372 1.00 0.00 C ATOM 1554 CG PRO A 96 18.630 -4.451 0.293 1.00 0.00 C ATOM 1555 CD PRO A 96 19.961 -4.654 0.980 1.00 0.00 C ATOM 0 HA PRO A 96 17.815 -4.786 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.633 -4.654 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.488 -3.249 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.391 -5.301 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.655 -3.569 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.539 -5.446 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.569 -3.750 0.945 1.00 0.00 H new ATOM 1563 N THR A 97 17.008 -7.032 3.512 1.00 0.00 N ATOM 1564 CA THR A 97 16.445 -8.376 3.564 1.00 0.00 C ATOM 1565 C THR A 97 15.230 -8.479 2.628 1.00 0.00 C ATOM 1566 O THR A 97 14.658 -7.457 2.244 1.00 0.00 O ATOM 1567 CB THR A 97 16.034 -8.726 5.015 1.00 0.00 C ATOM 1568 OG1 THR A 97 17.101 -8.383 5.913 1.00 0.00 O ATOM 1569 CG2 THR A 97 15.710 -10.209 5.165 1.00 0.00 C ATOM 0 H THR A 97 16.846 -6.480 4.355 1.00 0.00 H new ATOM 0 HA THR A 97 17.202 -9.087 3.233 1.00 0.00 H new ATOM 0 HB THR A 97 15.137 -8.155 5.256 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.839 -8.603 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.426 -10.417 6.197 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.885 -10.470 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 97 16.587 -10.801 4.904 1.00 0.00 H new ATOM 1577 N LEU A 98 14.836 -9.706 2.273 1.00 0.00 N ATOM 1578 CA LEU A 98 13.720 -9.940 1.342 1.00 0.00 C ATOM 1579 C LEU A 98 12.464 -9.169 1.760 1.00 0.00 C ATOM 1580 O LEU A 98 11.733 -8.650 0.915 1.00 0.00 O ATOM 1581 CB LEU A 98 13.393 -11.444 1.240 1.00 0.00 C ATOM 1582 CG LEU A 98 14.402 -12.312 0.460 1.00 0.00 C ATOM 1583 CD1 LEU A 98 14.579 -11.794 -0.966 1.00 0.00 C ATOM 1584 CD2 LEU A 98 15.746 -12.388 1.183 1.00 0.00 C ATOM 0 H LEU A 98 15.275 -10.560 2.617 1.00 0.00 H new ATOM 0 HA LEU A 98 14.039 -9.576 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 98 13.306 -11.844 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.415 -11.550 0.770 1.00 0.00 H new ATOM 0 HG LEU A 98 13.997 -13.323 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.295 -12.423 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 98 13.620 -11.820 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.948 -10.769 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.434 -13.007 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 98 16.160 -11.385 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 98 15.604 -12.826 2.171 1.00 0.00 H new ATOM 1596 N HIS A 99 12.212 -9.107 3.062 1.00 0.00 N ATOM 1597 CA HIS A 99 11.062 -8.375 3.595 1.00 0.00 C ATOM 1598 C HIS A 99 11.517 -7.161 4.407 1.00 0.00 C ATOM 1599 O HIS A 99 10.922 -6.821 5.427 1.00 0.00 O ATOM 1600 CB HIS A 99 10.176 -9.305 4.444 1.00 0.00 C ATOM 1601 CG HIS A 99 9.287 -10.201 3.626 1.00 0.00 C ATOM 1602 ND1 HIS A 99 7.922 -10.013 3.513 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.575 -11.286 2.863 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.414 -10.939 2.719 1.00 0.00 C ATOM 1605 NE2 HIS A 99 8.396 -11.719 2.310 1.00 0.00 N ATOM 0 H HIS A 99 12.789 -9.556 3.773 1.00 0.00 H new ATOM 0 HA HIS A 99 10.469 -8.012 2.756 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.813 -9.921 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.557 -8.699 5.106 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.389 -9.274 3.972 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.550 -11.727 2.718 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.373 -11.040 2.451 1.00 0.00 H new ATOM 1614 N SER A 100 12.558 -6.492 3.925 1.00 0.00 N ATOM 1615 CA SER A 100 13.059 -5.276 4.563 1.00 0.00 C ATOM 1616 C SER A 100 11.987 -4.181 4.546 1.00 0.00 C ATOM 1617 O SER A 100 11.629 -3.621 5.583 1.00 0.00 O ATOM 1618 CB SER A 100 14.323 -4.798 3.842 1.00 0.00 C ATOM 1619 OG SER A 100 14.112 -4.747 2.438 1.00 0.00 O ATOM 0 H SER A 100 13.075 -6.771 3.091 1.00 0.00 H new ATOM 0 HA SER A 100 13.305 -5.496 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.605 -3.811 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.151 -5.470 4.066 1.00 0.00 H new ATOM 0 HG SER A 100 14.309 -5.623 2.046 1.00 0.00 H new ATOM 1625 N PHE A 101 11.462 -3.910 3.354 1.00 0.00 N ATOM 1626 CA PHE A 101 10.431 -2.888 3.171 1.00 0.00 C ATOM 1627 C PHE A 101 9.074 -3.364 3.698 1.00 0.00 C ATOM 1628 O PHE A 101 8.095 -2.620 3.660 1.00 0.00 O ATOM 1629 CB PHE A 101 10.321 -2.502 1.687 1.00 0.00 C ATOM 1630 CG PHE A 101 11.594 -1.929 1.112 1.00 0.00 C ATOM 1631 CD1 PHE A 101 11.932 -0.600 1.329 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.451 -2.718 0.356 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.095 -0.072 0.803 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.615 -2.191 -0.171 1.00 0.00 C ATOM 1635 CZ PHE A 101 13.939 -0.867 0.053 1.00 0.00 C ATOM 0 H PHE A 101 11.735 -4.386 2.494 1.00 0.00 H new ATOM 0 HA PHE A 101 10.724 -2.010 3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.038 -3.383 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.519 -1.773 1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.278 0.028 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.205 -3.755 0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.345 0.964 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 101 14.272 -2.815 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.849 -0.455 -0.357 1.00 0.00 H new ATOM 1645 N ASP A 102 9.025 -4.597 4.207 1.00 0.00 N ATOM 1646 CA ASP A 102 7.791 -5.153 4.769 1.00 0.00 C ATOM 1647 C ASP A 102 7.337 -4.314 5.963 1.00 0.00 C ATOM 1648 O ASP A 102 6.142 -4.146 6.205 1.00 0.00 O ATOM 1649 CB ASP A 102 8.010 -6.611 5.188 1.00 0.00 C ATOM 1650 CG ASP A 102 6.740 -7.310 5.650 1.00 0.00 C ATOM 1651 OD1 ASP A 102 6.362 -7.155 6.830 1.00 0.00 O ATOM 1652 OD2 ASP A 102 6.134 -8.043 4.839 1.00 0.00 O ATOM 0 H ASP A 102 9.825 -5.229 4.242 1.00 0.00 H new ATOM 0 HA ASP A 102 7.011 -5.127 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.433 -7.162 4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.745 -6.643 5.992 1.00 0.00 H new ATOM 1657 N ALA A 103 8.305 -3.772 6.693 1.00 0.00 N ATOM 1658 CA ALA A 103 8.011 -2.858 7.792 1.00 0.00 C ATOM 1659 C ALA A 103 7.353 -1.591 7.252 1.00 0.00 C ATOM 1660 O ALA A 103 6.388 -1.077 7.825 1.00 0.00 O ATOM 1661 CB ALA A 103 9.285 -2.520 8.558 1.00 0.00 C ATOM 0 H ALA A 103 9.299 -3.949 6.545 1.00 0.00 H new ATOM 0 HA ALA A 103 7.320 -3.343 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.049 -1.837 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.719 -3.434 8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.000 -2.047 7.885 1.00 0.00 H new ATOM 1667 N ALA A 104 7.876 -1.107 6.126 1.00 0.00 N ATOM 1668 CA ALA A 104 7.329 0.070 5.460 1.00 0.00 C ATOM 1669 C ALA A 104 5.937 -0.233 4.914 1.00 0.00 C ATOM 1670 O ALA A 104 5.089 0.655 4.825 1.00 0.00 O ATOM 1671 CB ALA A 104 8.263 0.533 4.344 1.00 0.00 C ATOM 0 H ALA A 104 8.683 -1.516 5.655 1.00 0.00 H new ATOM 0 HA ALA A 104 7.244 0.878 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.840 1.412 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.236 0.784 4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.380 -0.266 3.612 1.00 0.00 H new ATOM 1677 N GLN A 105 5.711 -1.498 4.564 1.00 0.00 N ATOM 1678 CA GLN A 105 4.410 -1.959 4.085 1.00 0.00 C ATOM 1679 C GLN A 105 3.331 -1.633 5.115 1.00 0.00 C ATOM 1680 O GLN A 105 2.323 -1.005 4.791 1.00 0.00 O ATOM 1681 CB GLN A 105 4.466 -3.476 3.790 1.00 0.00 C ATOM 1682 CG GLN A 105 3.173 -4.087 3.237 1.00 0.00 C ATOM 1683 CD GLN A 105 2.128 -4.378 4.302 1.00 0.00 C ATOM 1684 OE1 GLN A 105 2.459 -4.668 5.451 1.00 0.00 O ATOM 1685 NE2 GLN A 105 0.860 -4.307 3.926 1.00 0.00 N ATOM 0 H GLN A 105 6.421 -2.229 4.604 1.00 0.00 H new ATOM 0 HA GLN A 105 4.159 -1.443 3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.269 -3.661 3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.730 -3.998 4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.747 -3.407 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.414 -5.013 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.626 -4.063 2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.117 -4.496 4.599 1.00 0.00 H new ATOM 1694 N SER A 106 3.565 -2.043 6.361 1.00 0.00 N ATOM 1695 CA SER A 106 2.619 -1.795 7.448 1.00 0.00 C ATOM 1696 C SER A 106 2.439 -0.289 7.672 1.00 0.00 C ATOM 1697 O SER A 106 1.330 0.185 7.932 1.00 0.00 O ATOM 1698 CB SER A 106 3.106 -2.473 8.737 1.00 0.00 C ATOM 1699 OG SER A 106 2.157 -2.339 9.783 1.00 0.00 O ATOM 0 H SER A 106 4.404 -2.550 6.643 1.00 0.00 H new ATOM 0 HA SER A 106 1.653 -2.218 7.172 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.292 -3.530 8.546 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.054 -2.033 9.045 1.00 0.00 H new ATOM 0 HG SER A 106 2.494 -2.782 10.590 1.00 0.00 H new ATOM 1705 N ARG A 107 3.539 0.454 7.554 1.00 0.00 N ATOM 1706 CA ARG A 107 3.521 1.907 7.725 1.00 0.00 C ATOM 1707 C ARG A 107 2.611 2.570 6.685 1.00 0.00 C ATOM 1708 O ARG A 107 1.697 3.315 7.029 1.00 0.00 O ATOM 1709 CB ARG A 107 4.942 2.465 7.604 1.00 0.00 C ATOM 1710 CG ARG A 107 5.910 1.999 8.693 1.00 0.00 C ATOM 1711 CD ARG A 107 5.659 2.689 10.032 1.00 0.00 C ATOM 1712 NE ARG A 107 4.625 2.039 10.836 1.00 0.00 N ATOM 1713 CZ ARG A 107 4.174 2.529 11.994 1.00 0.00 C ATOM 1714 NH1 ARG A 107 4.551 3.736 12.403 1.00 0.00 N ATOM 1715 NH2 ARG A 107 3.321 1.823 12.727 1.00 0.00 N ATOM 0 H ARG A 107 4.460 0.071 7.339 1.00 0.00 H new ATOM 0 HA ARG A 107 3.128 2.130 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.347 2.182 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.892 3.554 7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.817 0.921 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.933 2.195 8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 107 6.589 2.713 10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.370 3.724 9.850 1.00 0.00 H new ATOM 0 HE ARG A 107 4.227 1.164 10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.187 4.292 11.832 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.204 4.106 13.288 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.010 0.906 12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.977 2.197 13.611 1.00 0.00 H new ATOM 1729 N VAL A 108 2.865 2.283 5.413 1.00 0.00 N ATOM 1730 CA VAL A 108 2.084 2.858 4.318 1.00 0.00 C ATOM 1731 C VAL A 108 0.636 2.377 4.388 1.00 0.00 C ATOM 1732 O VAL A 108 -0.302 3.125 4.104 1.00 0.00 O ATOM 1733 CB VAL A 108 2.695 2.493 2.944 1.00 0.00 C ATOM 1734 CG1 VAL A 108 1.856 3.067 1.808 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.139 2.983 2.852 1.00 0.00 C ATOM 0 H VAL A 108 3.608 1.653 5.111 1.00 0.00 H new ATOM 0 HA VAL A 108 2.106 3.942 4.425 1.00 0.00 H new ATOM 0 HB VAL A 108 2.695 1.407 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.305 2.798 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.845 2.662 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.817 4.153 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.552 2.717 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.164 4.066 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.733 2.516 3.638 1.00 0.00 H new ATOM 1745 N TYR A 109 0.472 1.122 4.786 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.843 0.522 4.982 1.00 0.00 C ATOM 1747 C TYR A 109 -1.674 1.347 5.971 1.00 0.00 C ATOM 1748 O TYR A 109 -2.813 1.716 5.675 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.660 -0.938 5.452 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.823 -1.541 6.231 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.951 -1.339 7.605 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.781 -2.323 5.597 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.999 -1.894 8.316 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.830 -2.880 6.304 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.936 -2.661 7.662 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.987 -3.212 8.365 1.00 0.00 O ATOM 0 H TYR A 109 1.248 0.490 4.983 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.394 0.517 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.474 -1.560 4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.233 -0.989 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.218 -0.738 8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -2.705 -2.498 4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.082 -1.726 9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.565 -3.485 5.794 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.211 -2.635 9.125 1.00 0.00 H new ATOM 1766 N GLN A 110 -1.095 1.657 7.131 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.803 2.428 8.159 1.00 0.00 C ATOM 1768 C GLN A 110 -1.910 3.899 7.749 1.00 0.00 C ATOM 1769 O GLN A 110 -2.860 4.594 8.126 1.00 0.00 O ATOM 1770 CB GLN A 110 -1.102 2.306 9.522 1.00 0.00 C ATOM 1771 CG GLN A 110 0.231 3.036 9.609 1.00 0.00 C ATOM 1772 CD GLN A 110 0.842 2.994 10.997 1.00 0.00 C ATOM 1773 OE1 GLN A 110 0.614 1.910 11.723 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 1.528 3.925 11.409 1.00 0.00 N flip ATOM 0 H GLN A 110 -0.144 1.389 7.384 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.808 2.016 8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.766 2.693 10.295 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.940 1.251 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.928 2.593 8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.090 4.075 9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.682 4.744 10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.944 3.879 12.339 1.00 0.00 H new ATOM 1783 N LEU A 111 -0.930 4.358 6.972 1.00 0.00 N ATOM 1784 CA LEU A 111 -0.883 5.739 6.491 1.00 0.00 C ATOM 1785 C LEU A 111 -2.086 6.035 5.595 1.00 0.00 C ATOM 1786 O LEU A 111 -2.713 7.088 5.702 1.00 0.00 O ATOM 1787 CB LEU A 111 0.425 5.977 5.722 1.00 0.00 C ATOM 1788 CG LEU A 111 0.647 7.405 5.196 1.00 0.00 C ATOM 1789 CD1 LEU A 111 0.761 8.401 6.349 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.885 7.459 4.302 1.00 0.00 C ATOM 0 H LEU A 111 -0.147 3.784 6.658 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.920 6.412 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.259 5.717 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.456 5.290 4.876 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.219 7.687 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.918 9.403 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.157 8.384 6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.604 8.128 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.027 8.477 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.761 7.152 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.752 6.786 3.455 1.00 0.00 H new ATOM 1802 N MET A 112 -2.400 5.095 4.710 1.00 0.00 N ATOM 1803 CA MET A 112 -3.560 5.226 3.831 1.00 0.00 C ATOM 1804 C MET A 112 -4.840 4.958 4.612 1.00 0.00 C ATOM 1805 O MET A 112 -5.872 5.584 4.372 1.00 0.00 O ATOM 1806 CB MET A 112 -3.459 4.250 2.651 1.00 0.00 C ATOM 1807 CG MET A 112 -2.236 4.465 1.769 1.00 0.00 C ATOM 1808 SD MET A 112 -2.150 3.285 0.406 1.00 0.00 S ATOM 1809 CE MET A 112 -2.156 1.733 1.299 1.00 0.00 C ATOM 0 H MET A 112 -1.869 4.234 4.581 1.00 0.00 H new ATOM 0 HA MET A 112 -3.582 6.244 3.441 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.441 3.231 3.037 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.356 4.343 2.039 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.255 5.478 1.367 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.335 4.380 2.376 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.000 0.911 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.357 1.737 2.040 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.115 1.606 1.801 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.752 4.026 5.555 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.898 3.615 6.363 1.00 0.00 C ATOM 1821 C GLU A 113 -6.580 4.827 7.001 1.00 0.00 C ATOM 1822 O GLU A 113 -7.777 5.044 6.807 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.437 2.603 7.433 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.551 2.018 8.307 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.945 2.917 9.471 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -6.108 3.127 10.373 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -8.092 3.414 9.494 1.00 0.00 O ATOM 0 H GLU A 113 -3.887 3.534 5.782 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.634 3.133 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.921 1.783 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.709 3.091 8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.429 1.833 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.227 1.053 8.697 1.00 0.00 H new ATOM 1834 N GLN A 114 -5.798 5.641 7.706 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.327 6.757 8.503 1.00 0.00 C ATOM 1836 C GLN A 114 -7.212 7.705 7.682 1.00 0.00 C ATOM 1837 O GLN A 114 -7.968 8.494 8.249 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.175 7.546 9.137 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.285 8.255 8.121 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.125 9.011 8.751 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.066 9.160 8.143 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -3.311 9.498 9.968 1.00 0.00 N ATOM 0 H GLN A 114 -4.783 5.550 7.744 1.00 0.00 H new ATOM 0 HA GLN A 114 -6.953 6.320 9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -5.587 8.285 9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -4.564 6.866 9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.891 7.519 7.420 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.892 8.953 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -4.202 9.356 10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.563 10.015 10.430 1.00 0.00 H new ATOM 1851 N ASP A 115 -7.117 7.633 6.356 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.941 8.471 5.483 1.00 0.00 C ATOM 1853 C ASP A 115 -8.722 7.616 4.492 1.00 0.00 C ATOM 1854 O ASP A 115 -9.946 7.503 4.572 1.00 0.00 O ATOM 1855 CB ASP A 115 -7.077 9.480 4.708 1.00 0.00 C ATOM 1856 CG ASP A 115 -6.396 10.508 5.598 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.103 11.351 6.190 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -5.147 10.507 5.676 1.00 0.00 O ATOM 0 H ASP A 115 -6.481 7.006 5.863 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.639 9.015 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.317 8.938 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.702 9.998 3.981 1.00 0.00 H new ATOM 1863 N SER A 116 -7.992 7.001 3.572 1.00 0.00 N ATOM 1864 CA SER A 116 -8.578 6.296 2.440 1.00 0.00 C ATOM 1865 C SER A 116 -9.516 5.163 2.877 1.00 0.00 C ATOM 1866 O SER A 116 -10.479 4.854 2.175 1.00 0.00 O ATOM 1867 CB SER A 116 -7.451 5.754 1.553 1.00 0.00 C ATOM 1868 OG SER A 116 -6.454 6.742 1.346 1.00 0.00 O ATOM 0 H SER A 116 -6.972 6.977 3.590 1.00 0.00 H new ATOM 0 HA SER A 116 -9.189 7.002 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.007 4.874 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.858 5.435 0.594 1.00 0.00 H new ATOM 0 HG SER A 116 -5.673 6.334 0.918 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.251 4.560 4.038 1.00 0.00 N ATOM 1875 CA TYR A 117 -10.063 3.438 4.519 1.00 0.00 C ATOM 1876 C TYR A 117 -11.488 3.891 4.834 1.00 0.00 C ATOM 1877 O TYR A 117 -12.449 3.387 4.250 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.419 2.794 5.755 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.219 1.652 6.360 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.755 0.646 5.560 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.439 1.581 7.733 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.481 -0.393 6.110 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.162 0.545 8.287 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.680 -0.438 7.473 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.401 -1.472 8.022 1.00 0.00 O ATOM 0 H TYR A 117 -8.487 4.826 4.659 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.110 2.692 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.430 2.424 5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -9.274 3.562 6.515 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.601 0.678 4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.037 2.350 8.375 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.890 -1.165 5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.321 0.505 9.354 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.470 -2.203 7.373 1.00 0.00 H new ATOM 1895 N THR A 118 -11.621 4.845 5.747 1.00 0.00 N ATOM 1896 CA THR A 118 -12.930 5.371 6.121 1.00 0.00 C ATOM 1897 C THR A 118 -13.629 6.005 4.916 1.00 0.00 C ATOM 1898 O THR A 118 -14.843 5.858 4.743 1.00 0.00 O ATOM 1899 CB THR A 118 -12.810 6.391 7.279 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.605 7.156 7.134 1.00 0.00 O ATOM 1901 CG2 THR A 118 -12.814 5.689 8.635 1.00 0.00 C ATOM 0 H THR A 118 -10.838 5.271 6.243 1.00 0.00 H new ATOM 0 HA THR A 118 -13.537 4.535 6.468 1.00 0.00 H new ATOM 0 HB THR A 118 -13.673 7.056 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.536 7.801 7.869 1.00 0.00 H new ATOM 0 HG21 THR A 118 -12.728 6.431 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 118 -13.745 5.135 8.755 1.00 0.00 H new ATOM 0 HG23 THR A 118 -11.972 5.000 8.690 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.853 6.690 4.076 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.374 7.258 2.832 1.00 0.00 C ATOM 1911 C ARG A 119 -13.972 6.151 1.961 1.00 0.00 C ATOM 1912 O ARG A 119 -15.051 6.309 1.385 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.265 7.999 2.067 1.00 0.00 C ATOM 1914 CG ARG A 119 -11.754 9.249 2.780 1.00 0.00 C ATOM 1915 CD ARG A 119 -10.601 9.909 2.025 1.00 0.00 C ATOM 1916 NE ARG A 119 -10.977 10.297 0.661 1.00 0.00 N ATOM 1917 CZ ARG A 119 -11.556 11.457 0.342 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -11.841 12.347 1.284 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -11.842 11.725 -0.927 1.00 0.00 N ATOM 0 H ARG A 119 -11.861 6.865 4.234 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.156 7.976 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.430 7.317 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -12.641 8.281 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -12.571 9.963 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -11.425 8.984 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.269 10.791 2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.756 9.222 1.985 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.783 9.638 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.618 12.147 2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -12.283 13.231 1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.619 11.046 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.284 12.610 -1.174 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.276 5.019 1.894 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.749 3.867 1.135 1.00 0.00 C ATOM 1935 C PHE A 120 -15.044 3.327 1.738 1.00 0.00 C ATOM 1936 O PHE A 120 -15.959 2.940 1.015 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.678 2.764 1.102 1.00 0.00 C ATOM 1938 CG PHE A 120 -13.102 1.531 0.339 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -13.004 1.487 -1.045 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.607 0.418 1.004 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.395 0.362 -1.746 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.999 -0.708 0.306 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.893 -0.736 -1.071 1.00 0.00 C ATOM 0 H PHE A 120 -12.379 4.876 2.358 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.947 4.188 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.770 3.165 0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.429 2.480 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.618 2.342 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.694 0.435 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.311 0.341 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.388 -1.565 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.199 -1.615 -1.619 1.00 0.00 H new ATOM 1953 N LEU A 121 -15.121 3.321 3.064 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.300 2.814 3.766 1.00 0.00 C ATOM 1955 C LEU A 121 -17.520 3.702 3.513 1.00 0.00 C ATOM 1956 O LEU A 121 -18.662 3.265 3.675 1.00 0.00 O ATOM 1957 CB LEU A 121 -16.026 2.713 5.275 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.904 1.739 5.679 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.713 1.735 7.192 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.196 0.327 5.167 1.00 0.00 C ATOM 0 H LEU A 121 -14.381 3.662 3.678 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.516 1.819 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.774 3.706 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.946 2.408 5.774 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.977 2.081 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.916 1.040 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.447 2.737 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.640 1.425 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.389 -0.342 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.136 -0.027 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.271 0.343 4.080 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.278 4.951 3.124 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.364 5.891 2.840 1.00 0.00 C ATOM 1974 C LYS A 122 -18.482 6.176 1.337 1.00 0.00 C ATOM 1975 O LYS A 122 -19.367 6.920 0.905 1.00 0.00 O ATOM 1976 CB LYS A 122 -18.144 7.189 3.637 1.00 0.00 C ATOM 1977 CG LYS A 122 -19.267 8.224 3.502 1.00 0.00 C ATOM 1978 CD LYS A 122 -20.643 7.650 3.860 1.00 0.00 C ATOM 1979 CE LYS A 122 -20.694 7.116 5.288 1.00 0.00 C ATOM 1980 NZ LYS A 122 -22.045 6.602 5.646 1.00 0.00 N ATOM 0 H LYS A 122 -16.342 5.337 2.998 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.306 5.440 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -18.027 6.936 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -17.208 7.644 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.052 9.074 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.289 8.600 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -21.400 8.424 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.891 6.848 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -19.961 6.318 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.413 7.909 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.034 6.249 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -22.742 7.370 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.304 5.828 5.002 1.00 0.00 H new ATOM 1994 N SER A 123 -17.607 5.572 0.535 1.00 0.00 N ATOM 1995 CA SER A 123 -17.642 5.772 -0.911 1.00 0.00 C ATOM 1996 C SER A 123 -18.920 5.179 -1.503 1.00 0.00 C ATOM 1997 O SER A 123 -19.488 4.228 -0.953 1.00 0.00 O ATOM 1998 CB SER A 123 -16.419 5.128 -1.578 1.00 0.00 C ATOM 1999 OG SER A 123 -16.488 3.711 -1.527 1.00 0.00 O ATOM 0 H SER A 123 -16.871 4.945 0.859 1.00 0.00 H new ATOM 0 HA SER A 123 -17.624 6.845 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.355 5.454 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.510 5.468 -1.081 1.00 0.00 H new ATOM 0 HG SER A 123 -16.236 3.403 -0.631 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.363 5.740 -2.628 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.523 5.212 -3.351 1.00 0.00 C ATOM 2007 C ASP A 124 -20.311 3.733 -3.655 1.00 0.00 C ATOM 2008 O ASP A 124 -21.259 2.950 -3.691 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.750 5.975 -4.663 1.00 0.00 C ATOM 2010 CG ASP A 124 -21.057 7.449 -4.449 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -22.238 7.791 -4.217 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -20.119 8.274 -4.519 1.00 0.00 O ATOM 0 H ASP A 124 -18.937 6.560 -3.060 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.403 5.338 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -19.863 5.882 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -21.574 5.513 -5.207 1.00 0.00 H new ATOM 2017 N ILE A 125 -19.045 3.372 -3.858 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.652 1.997 -4.129 1.00 0.00 C ATOM 2019 C ILE A 125 -19.146 1.067 -3.023 1.00 0.00 C ATOM 2020 O ILE A 125 -19.922 0.147 -3.275 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.107 1.875 -4.248 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -16.582 2.747 -5.404 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.688 0.415 -4.432 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -15.072 2.728 -5.553 1.00 0.00 C ATOM 0 H ILE A 125 -18.264 4.028 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.107 1.705 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 125 -16.664 2.237 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -17.033 2.407 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -16.909 3.775 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.603 0.355 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -17.021 -0.170 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -17.142 0.018 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -14.781 3.366 -6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -14.611 3.097 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -14.738 1.708 -5.742 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.714 1.338 -1.794 1.00 0.00 N ATOM 2037 CA TYR A 126 -19.013 0.469 -0.658 1.00 0.00 C ATOM 2038 C TYR A 126 -20.524 0.340 -0.448 1.00 0.00 C ATOM 2039 O TYR A 126 -21.040 -0.759 -0.225 1.00 0.00 O ATOM 2040 CB TYR A 126 -18.343 1.007 0.612 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.405 0.052 1.792 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.577 -1.065 1.846 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -19.290 0.263 2.847 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.627 -1.940 2.914 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.343 -0.609 3.916 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.509 -1.707 3.945 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.564 -2.581 5.005 1.00 0.00 O ATOM 0 H TYR A 126 -18.153 2.157 -1.558 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.615 -0.523 -0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -17.299 1.231 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.819 1.947 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.883 -1.251 1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.945 1.122 2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.977 -2.802 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -20.035 -0.432 4.726 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.917 -3.304 4.866 1.00 0.00 H new ATOM 2057 N LEU A 127 -21.228 1.464 -0.532 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.679 1.473 -0.356 1.00 0.00 C ATOM 2059 C LEU A 127 -23.370 0.715 -1.495 1.00 0.00 C ATOM 2060 O LEU A 127 -24.419 0.097 -1.295 1.00 0.00 O ATOM 2061 CB LEU A 127 -23.211 2.916 -0.255 1.00 0.00 C ATOM 2062 CG LEU A 127 -23.009 3.612 1.107 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.688 2.824 2.225 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -21.524 3.816 1.407 1.00 0.00 C ATOM 0 H LEU A 127 -20.820 2.380 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.910 0.963 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.726 3.517 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -24.277 2.907 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 127 -23.476 4.595 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -23.532 3.334 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -24.757 2.752 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.261 1.823 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -21.412 4.309 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -21.022 2.849 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -21.078 4.436 0.630 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.768 0.754 -2.681 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.297 0.030 -3.840 1.00 0.00 C ATOM 2078 C ASP A 128 -23.098 -1.473 -3.653 1.00 0.00 C ATOM 2079 O ASP A 128 -23.942 -2.276 -4.056 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.613 0.498 -5.135 1.00 0.00 C ATOM 2081 CG ASP A 128 -23.205 -0.149 -6.384 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -22.738 -1.234 -6.784 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -24.142 0.433 -6.972 1.00 0.00 O ATOM 0 H ASP A 128 -21.913 1.279 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.363 0.241 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -22.701 1.581 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -21.549 0.268 -5.082 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.979 -1.842 -3.025 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.674 -3.246 -2.745 1.00 0.00 C ATOM 2090 C LEU A 129 -22.766 -3.850 -1.867 1.00 0.00 C ATOM 2091 O LEU A 129 -23.182 -4.993 -2.070 1.00 0.00 O ATOM 2092 CB LEU A 129 -20.307 -3.392 -2.054 1.00 0.00 C ATOM 2093 CG LEU A 129 -19.115 -2.750 -2.785 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.805 -3.070 -2.070 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -19.064 -3.190 -4.247 1.00 0.00 C ATOM 0 H LEU A 129 -21.268 -1.186 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.633 -3.780 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.376 -2.955 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -20.099 -4.454 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 129 -19.253 -1.669 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.976 -2.606 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.842 -2.683 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.660 -4.150 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -18.212 -2.721 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -18.960 -4.274 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -19.983 -2.890 -4.750 1.00 0.00 H new ATOM 2107 N MET A 130 -23.225 -3.067 -0.893 1.00 0.00 N ATOM 2108 CA MET A 130 -24.330 -3.476 -0.029 1.00 0.00 C ATOM 2109 C MET A 130 -25.608 -3.621 -0.855 1.00 0.00 C ATOM 2110 O MET A 130 -26.158 -4.719 -0.981 1.00 0.00 O ATOM 2111 CB MET A 130 -24.538 -2.455 1.101 1.00 0.00 C ATOM 2112 CG MET A 130 -23.365 -2.353 2.065 1.00 0.00 C ATOM 2113 SD MET A 130 -22.996 -3.928 2.863 1.00 0.00 S ATOM 2114 CE MET A 130 -21.714 -3.436 4.013 1.00 0.00 C ATOM 0 H MET A 130 -22.847 -2.143 -0.682 1.00 0.00 H new ATOM 0 HA MET A 130 -24.086 -4.439 0.420 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.721 -1.474 0.662 1.00 0.00 H new ATOM 0 HB3 MET A 130 -25.433 -2.725 1.661 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.484 -2.006 1.526 1.00 0.00 H new ATOM 0 HG3 MET A 130 -23.587 -1.606 2.827 1.00 0.00 H new ATOM 0 HE1 MET A 130 -21.109 -4.304 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 130 -21.081 -2.679 3.550 1.00 0.00 H new ATOM 0 HE3 MET A 130 -22.171 -3.026 4.913 1.00 0.00 H new