USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 GLN : amide:sc= -0.0811 K(o=-0.081,f=-2.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 177:sc= 1.09 USER MOD Single : A 23 HIS : no HD1:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -114:sc= -11! (180deg=-15.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-3.2!) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.659 (180deg=-1.52) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -68:sc= 0.98 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -162:sc= 0.774 USER MOD Single : A 61 ASN :FLIP amide:sc= -4.21! C(o=-4.8!,f=-4.2!) USER MOD Single : A 62 TYR OH : rot 44:sc= 0.281 USER MOD Single : A 65 LYS NZ :NH3+ 143:sc= 0.985 (180deg=-0.0331) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 176 THR OG1 : rot 53:sc= 0.142 USER MOD Single : B 185 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.87) USER MOD Single : B 190 GLN : amide:sc=-0.00877 X(o=-0.0088,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 5.469 30.520 9.919 1.00 0.00 N ATOM 2 CA GLN A 9 4.237 30.360 10.741 1.00 0.00 C ATOM 3 C GLN A 9 3.353 29.271 10.129 1.00 0.00 C ATOM 4 O GLN A 9 3.774 28.534 9.259 1.00 0.00 O ATOM 5 CB GLN A 9 3.469 31.684 10.775 1.00 0.00 C ATOM 6 CG GLN A 9 3.527 32.343 9.395 1.00 0.00 C ATOM 7 CD GLN A 9 3.120 33.813 9.516 1.00 0.00 C ATOM 8 OE1 GLN A 9 3.066 34.353 10.604 1.00 0.00 O ATOM 9 NE2 GLN A 9 2.828 34.488 8.437 1.00 0.00 N ATOM 0 HA GLN A 9 4.513 30.075 11.756 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.432 31.508 11.063 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.900 32.347 11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.534 32.266 8.985 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.861 31.826 8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.873 34.035 7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.555 35.468 8.507 1.00 0.00 H new ATOM 18 N GLY A 10 2.131 29.163 10.575 1.00 0.00 N ATOM 19 CA GLY A 10 1.225 28.120 10.017 1.00 0.00 C ATOM 20 C GLY A 10 0.704 28.574 8.652 1.00 0.00 C ATOM 21 O GLY A 10 0.473 29.745 8.423 1.00 0.00 O ATOM 0 H GLY A 10 1.722 29.751 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.759 27.175 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.391 27.946 10.697 1.00 0.00 H new ATOM 25 N ASP A 11 0.515 27.656 7.745 1.00 0.00 N ATOM 26 CA ASP A 11 0.008 28.033 6.395 1.00 0.00 C ATOM 27 C ASP A 11 -1.161 27.122 6.019 1.00 0.00 C ATOM 28 O ASP A 11 -1.269 26.008 6.492 1.00 0.00 O ATOM 29 CB ASP A 11 1.130 27.874 5.367 1.00 0.00 C ATOM 30 CG ASP A 11 1.798 29.229 5.125 1.00 0.00 C ATOM 31 OD1 ASP A 11 1.434 30.175 5.804 1.00 0.00 O ATOM 32 OD2 ASP A 11 2.662 29.297 4.267 1.00 0.00 O ATOM 0 H ASP A 11 0.690 26.660 7.880 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.328 29.070 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.865 27.153 5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.728 27.483 4.432 1.00 0.00 H new ATOM 37 N ILE A 12 -2.038 27.583 5.170 1.00 0.00 N ATOM 38 CA ILE A 12 -3.196 26.738 4.768 1.00 0.00 C ATOM 39 C ILE A 12 -2.905 26.085 3.414 1.00 0.00 C ATOM 40 O ILE A 12 -2.367 26.704 2.517 1.00 0.00 O ATOM 41 CB ILE A 12 -4.455 27.607 4.665 1.00 0.00 C ATOM 42 CG1 ILE A 12 -5.696 26.731 4.861 1.00 0.00 C ATOM 43 CG2 ILE A 12 -4.517 28.272 3.288 1.00 0.00 C ATOM 44 CD1 ILE A 12 -5.903 26.468 6.355 1.00 0.00 C ATOM 0 H ILE A 12 -2.002 28.507 4.738 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.357 25.961 5.516 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.423 28.377 5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.573 27.225 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.577 25.788 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.414 28.888 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.636 28.898 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.546 27.505 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.786 25.845 6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.029 25.956 6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.041 27.416 6.876 1.00 0.00 H new ATOM 56 N VAL A 13 -3.256 24.839 3.262 1.00 0.00 N ATOM 57 CA VAL A 13 -3.000 24.141 1.973 1.00 0.00 C ATOM 58 C VAL A 13 -4.278 23.434 1.528 1.00 0.00 C ATOM 59 O VAL A 13 -5.163 23.181 2.321 1.00 0.00 O ATOM 60 CB VAL A 13 -1.892 23.104 2.169 1.00 0.00 C ATOM 61 CG1 VAL A 13 -0.528 23.783 2.037 1.00 0.00 C ATOM 62 CG2 VAL A 13 -2.019 22.478 3.559 1.00 0.00 C ATOM 0 H VAL A 13 -3.711 24.272 3.978 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.693 24.864 1.217 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.985 22.326 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.261 23.044 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.437 24.228 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.434 24.562 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.230 21.739 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.927 23.255 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.991 21.993 3.652 1.00 0.00 H new ATOM 72 N VAL A 14 -4.387 23.104 0.273 1.00 0.00 N ATOM 73 CA VAL A 14 -5.617 22.404 -0.192 1.00 0.00 C ATOM 74 C VAL A 14 -5.234 21.049 -0.789 1.00 0.00 C ATOM 75 O VAL A 14 -4.250 20.920 -1.489 1.00 0.00 O ATOM 76 CB VAL A 14 -6.336 23.255 -1.240 1.00 0.00 C ATOM 77 CG1 VAL A 14 -5.436 23.424 -2.465 1.00 0.00 C ATOM 78 CG2 VAL A 14 -7.637 22.564 -1.655 1.00 0.00 C ATOM 0 H VAL A 14 -3.686 23.286 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.288 22.249 0.653 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.563 24.234 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.948 24.030 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.510 23.917 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.208 22.445 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.149 23.171 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.410 21.585 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.279 22.444 -0.783 1.00 0.00 H new ATOM 88 N ALA A 15 -6.004 20.035 -0.505 1.00 0.00 N ATOM 89 CA ALA A 15 -5.693 18.680 -1.038 1.00 0.00 C ATOM 90 C ALA A 15 -5.994 18.630 -2.537 1.00 0.00 C ATOM 91 O ALA A 15 -7.031 19.073 -2.987 1.00 0.00 O ATOM 92 CB ALA A 15 -6.557 17.642 -0.315 1.00 0.00 C ATOM 0 H ALA A 15 -6.840 20.088 0.077 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.637 18.463 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.332 16.648 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.344 17.672 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.611 17.866 -0.481 1.00 0.00 H new ATOM 98 N LEU A 16 -5.105 18.071 -3.310 1.00 0.00 N ATOM 99 CA LEU A 16 -5.352 17.968 -4.776 1.00 0.00 C ATOM 100 C LEU A 16 -5.840 16.551 -5.073 1.00 0.00 C ATOM 101 O LEU A 16 -6.494 16.295 -6.066 1.00 0.00 O ATOM 102 CB LEU A 16 -4.056 18.240 -5.542 1.00 0.00 C ATOM 103 CG LEU A 16 -3.658 19.706 -5.364 1.00 0.00 C ATOM 104 CD1 LEU A 16 -2.206 19.898 -5.808 1.00 0.00 C ATOM 105 CD2 LEU A 16 -4.573 20.590 -6.215 1.00 0.00 C ATOM 0 H LEU A 16 -4.218 17.681 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.098 18.700 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.261 17.589 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.192 18.015 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.757 19.985 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.922 20.943 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.554 19.269 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.106 19.620 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.290 21.635 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.475 20.312 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.607 20.454 -5.899 1.00 0.00 H new ATOM 117 N TYR A 17 -5.529 15.635 -4.200 1.00 0.00 N ATOM 118 CA TYR A 17 -5.963 14.224 -4.384 1.00 0.00 C ATOM 119 C TYR A 17 -6.205 13.615 -3.003 1.00 0.00 C ATOM 120 O TYR A 17 -5.605 14.028 -2.031 1.00 0.00 O ATOM 121 CB TYR A 17 -4.856 13.435 -5.089 1.00 0.00 C ATOM 122 CG TYR A 17 -4.411 14.169 -6.331 1.00 0.00 C ATOM 123 CD1 TYR A 17 -5.326 14.436 -7.355 1.00 0.00 C ATOM 124 CD2 TYR A 17 -3.077 14.575 -6.461 1.00 0.00 C ATOM 125 CE1 TYR A 17 -4.910 15.111 -8.509 1.00 0.00 C ATOM 126 CE2 TYR A 17 -2.660 15.249 -7.614 1.00 0.00 C ATOM 127 CZ TYR A 17 -3.576 15.517 -8.639 1.00 0.00 C ATOM 128 OH TYR A 17 -3.164 16.183 -9.775 1.00 0.00 O ATOM 0 H TYR A 17 -4.985 15.807 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.871 14.187 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.010 13.297 -4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.218 12.441 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.354 14.121 -7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.370 14.368 -5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.617 15.318 -9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.631 15.563 -7.714 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.210 16.393 -9.703 1.00 0.00 H new ATOM 138 N PRO A 18 -7.084 12.609 -2.905 1.00 0.00 N ATOM 139 CA PRO A 18 -7.367 11.951 -1.626 1.00 0.00 C ATOM 140 C PRO A 18 -6.108 11.265 -1.099 1.00 0.00 C ATOM 141 O PRO A 18 -5.254 10.864 -1.865 1.00 0.00 O ATOM 142 CB PRO A 18 -8.459 10.938 -1.975 1.00 0.00 C ATOM 143 CG PRO A 18 -8.272 10.696 -3.436 1.00 0.00 C ATOM 144 CD PRO A 18 -7.859 12.024 -4.008 1.00 0.00 C ATOM 0 HA PRO A 18 -7.682 12.639 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.349 10.018 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.452 11.331 -1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.511 9.937 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.193 10.339 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.260 11.910 -4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.719 12.639 -4.272 1.00 0.00 H new ATOM 152 N TYR A 19 -5.948 11.158 0.193 1.00 0.00 N ATOM 153 CA TYR A 19 -4.691 10.535 0.700 1.00 0.00 C ATOM 154 C TYR A 19 -4.928 9.062 1.061 1.00 0.00 C ATOM 155 O TYR A 19 -6.023 8.547 0.951 1.00 0.00 O ATOM 156 CB TYR A 19 -4.183 11.332 1.914 1.00 0.00 C ATOM 157 CG TYR A 19 -3.083 10.587 2.642 1.00 0.00 C ATOM 158 CD1 TYR A 19 -1.792 10.513 2.094 1.00 0.00 C ATOM 159 CD2 TYR A 19 -3.356 9.976 3.875 1.00 0.00 C ATOM 160 CE1 TYR A 19 -0.782 9.825 2.778 1.00 0.00 C ATOM 161 CE2 TYR A 19 -2.343 9.290 4.559 1.00 0.00 C ATOM 162 CZ TYR A 19 -1.056 9.214 4.009 1.00 0.00 C ATOM 163 OH TYR A 19 -0.058 8.539 4.681 1.00 0.00 O ATOM 0 H TYR A 19 -6.613 11.466 0.903 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.931 10.562 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.811 12.302 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.010 11.523 2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.578 10.986 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.348 10.034 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.210 9.765 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.554 8.821 5.509 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.402 8.217 5.540 1.00 0.00 H new ATOM 173 N ASP A 20 -3.898 8.394 1.494 1.00 0.00 N ATOM 174 CA ASP A 20 -4.017 6.964 1.876 1.00 0.00 C ATOM 175 C ASP A 20 -3.877 6.833 3.392 1.00 0.00 C ATOM 176 O ASP A 20 -2.825 6.481 3.889 1.00 0.00 O ATOM 177 CB ASP A 20 -2.887 6.179 1.205 1.00 0.00 C ATOM 178 CG ASP A 20 -3.468 4.949 0.504 1.00 0.00 C ATOM 179 OD1 ASP A 20 -4.463 4.433 0.985 1.00 0.00 O ATOM 180 OD2 ASP A 20 -2.908 4.545 -0.501 1.00 0.00 O ATOM 0 H ASP A 20 -2.963 8.787 1.601 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.986 6.576 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.369 6.811 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.151 5.873 1.948 1.00 0.00 H new ATOM 185 N GLY A 21 -4.914 7.092 4.144 1.00 0.00 N ATOM 186 CA GLY A 21 -4.796 6.952 5.622 1.00 0.00 C ATOM 187 C GLY A 21 -4.378 5.517 5.946 1.00 0.00 C ATOM 188 O GLY A 21 -5.200 4.626 6.032 1.00 0.00 O ATOM 0 H GLY A 21 -5.827 7.391 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.061 7.657 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.747 7.186 6.101 1.00 0.00 H new ATOM 192 N ILE A 22 -3.109 5.283 6.131 1.00 0.00 N ATOM 193 CA ILE A 22 -2.656 3.901 6.452 1.00 0.00 C ATOM 194 C ILE A 22 -2.212 3.854 7.910 1.00 0.00 C ATOM 195 O ILE A 22 -2.518 2.928 8.636 1.00 0.00 O ATOM 196 CB ILE A 22 -1.492 3.505 5.539 1.00 0.00 C ATOM 197 CG1 ILE A 22 -1.960 3.514 4.083 1.00 0.00 C ATOM 198 CG2 ILE A 22 -1.008 2.102 5.911 1.00 0.00 C ATOM 199 CD1 ILE A 22 -0.742 3.514 3.155 1.00 0.00 C ATOM 0 H ILE A 22 -2.370 5.984 6.074 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.476 3.200 6.293 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.675 4.216 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.582 2.641 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.575 4.393 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.179 1.819 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.675 2.095 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.825 1.391 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.075 3.520 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.138 4.401 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.145 2.621 3.339 1.00 0.00 H new ATOM 211 N HIS A 23 -1.506 4.854 8.349 1.00 0.00 N ATOM 212 CA HIS A 23 -1.057 4.879 9.766 1.00 0.00 C ATOM 213 C HIS A 23 -2.242 5.273 10.645 1.00 0.00 C ATOM 214 O HIS A 23 -3.191 5.873 10.182 1.00 0.00 O ATOM 215 CB HIS A 23 0.070 5.900 9.929 1.00 0.00 C ATOM 216 CG HIS A 23 1.307 5.378 9.254 1.00 0.00 C ATOM 217 ND1 HIS A 23 1.960 4.238 9.695 1.00 0.00 N ATOM 218 CD2 HIS A 23 2.017 5.822 8.167 1.00 0.00 C ATOM 219 CE1 HIS A 23 3.013 4.035 8.882 1.00 0.00 C ATOM 220 NE2 HIS A 23 3.094 4.972 7.933 1.00 0.00 N ATOM 0 H HIS A 23 -1.220 5.656 7.788 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.688 3.896 10.059 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.222 6.855 9.493 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.265 6.079 10.986 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.777 6.698 7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.708 3.215 8.984 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.795 5.048 7.196 1.00 0.00 H new ATOM 228 N PRO A 24 -2.192 4.924 11.935 1.00 0.00 N ATOM 229 CA PRO A 24 -3.274 5.242 12.871 1.00 0.00 C ATOM 230 C PRO A 24 -3.351 6.743 13.156 1.00 0.00 C ATOM 231 O PRO A 24 -4.304 7.227 13.732 1.00 0.00 O ATOM 232 CB PRO A 24 -2.884 4.483 14.139 1.00 0.00 C ATOM 233 CG PRO A 24 -1.402 4.333 14.046 1.00 0.00 C ATOM 234 CD PRO A 24 -1.084 4.202 12.583 1.00 0.00 C ATOM 0 HA PRO A 24 -4.253 4.964 12.480 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.171 5.033 15.035 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.378 3.513 14.188 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.896 5.196 14.479 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.064 3.456 14.598 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.118 4.644 12.339 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.045 3.158 12.271 1.00 0.00 H new ATOM 242 N ASP A 25 -2.344 7.482 12.771 1.00 0.00 N ATOM 243 CA ASP A 25 -2.344 8.948 13.034 1.00 0.00 C ATOM 244 C ASP A 25 -2.442 9.733 11.720 1.00 0.00 C ATOM 245 O ASP A 25 -2.706 10.919 11.723 1.00 0.00 O ATOM 246 CB ASP A 25 -1.036 9.322 13.735 1.00 0.00 C ATOM 247 CG ASP A 25 -1.197 10.679 14.423 1.00 0.00 C ATOM 248 OD1 ASP A 25 -1.868 10.730 15.441 1.00 0.00 O ATOM 249 OD2 ASP A 25 -0.647 11.644 13.920 1.00 0.00 O ATOM 0 H ASP A 25 -1.519 7.130 12.284 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.202 9.196 13.658 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.773 8.559 14.468 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.222 9.363 13.011 1.00 0.00 H new ATOM 254 N ASP A 26 -2.221 9.099 10.596 1.00 0.00 N ATOM 255 CA ASP A 26 -2.292 9.841 9.311 1.00 0.00 C ATOM 256 C ASP A 26 -3.668 10.486 9.162 1.00 0.00 C ATOM 257 O ASP A 26 -4.684 9.900 9.480 1.00 0.00 O ATOM 258 CB ASP A 26 -2.048 8.881 8.146 1.00 0.00 C ATOM 259 CG ASP A 26 -0.551 8.591 8.029 1.00 0.00 C ATOM 260 OD1 ASP A 26 0.209 9.193 8.769 1.00 0.00 O ATOM 261 OD2 ASP A 26 -0.190 7.771 7.201 1.00 0.00 O ATOM 0 H ASP A 26 -1.996 8.107 10.517 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.527 10.618 9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.598 7.953 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.418 9.317 7.218 1.00 0.00 H new ATOM 266 N LEU A 27 -3.703 11.689 8.662 1.00 0.00 N ATOM 267 CA LEU A 27 -5.005 12.377 8.468 1.00 0.00 C ATOM 268 C LEU A 27 -5.460 12.147 7.028 1.00 0.00 C ATOM 269 O LEU A 27 -4.774 12.496 6.088 1.00 0.00 O ATOM 270 CB LEU A 27 -4.850 13.879 8.748 1.00 0.00 C ATOM 271 CG LEU A 27 -6.028 14.654 8.147 1.00 0.00 C ATOM 272 CD1 LEU A 27 -5.819 14.828 6.642 1.00 0.00 C ATOM 273 CD2 LEU A 27 -7.330 13.891 8.402 1.00 0.00 C ATOM 0 H LEU A 27 -2.883 12.225 8.379 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.749 11.978 9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.801 14.053 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.913 14.241 8.324 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.088 15.636 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.659 15.379 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.896 15.380 6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.753 13.849 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.166 14.444 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.271 12.906 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.481 13.778 9.476 1.00 0.00 H new ATOM 285 N SER A 28 -6.610 11.565 6.850 1.00 0.00 N ATOM 286 CA SER A 28 -7.116 11.312 5.476 1.00 0.00 C ATOM 287 C SER A 28 -7.726 12.595 4.913 1.00 0.00 C ATOM 288 O SER A 28 -8.413 13.322 5.603 1.00 0.00 O ATOM 289 CB SER A 28 -8.194 10.228 5.533 1.00 0.00 C ATOM 290 OG SER A 28 -7.691 9.030 4.963 1.00 0.00 O ATOM 0 H SER A 28 -7.224 11.252 7.602 1.00 0.00 H new ATOM 0 HA SER A 28 -6.294 10.988 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.495 10.053 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.083 10.555 4.993 1.00 0.00 H new ATOM 0 HG SER A 28 -8.381 8.335 5.001 1.00 0.00 H new ATOM 296 N PHE A 29 -7.509 12.865 3.659 1.00 0.00 N ATOM 297 CA PHE A 29 -8.108 14.084 3.054 1.00 0.00 C ATOM 298 C PHE A 29 -8.470 13.782 1.604 1.00 0.00 C ATOM 299 O PHE A 29 -7.925 12.882 1.000 1.00 0.00 O ATOM 300 CB PHE A 29 -7.128 15.263 3.123 1.00 0.00 C ATOM 301 CG PHE A 29 -5.804 14.914 2.489 1.00 0.00 C ATOM 302 CD1 PHE A 29 -5.670 14.917 1.097 1.00 0.00 C ATOM 303 CD2 PHE A 29 -4.700 14.616 3.298 1.00 0.00 C ATOM 304 CE1 PHE A 29 -4.434 14.621 0.512 1.00 0.00 C ATOM 305 CE2 PHE A 29 -3.464 14.315 2.713 1.00 0.00 C ATOM 306 CZ PHE A 29 -3.331 14.320 1.319 1.00 0.00 C ATOM 0 H PHE A 29 -6.944 12.296 3.028 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.003 14.362 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.559 16.127 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.971 15.548 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.521 15.148 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.802 14.618 4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.331 14.625 -0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.614 14.079 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.377 14.092 0.867 1.00 0.00 H new ATOM 316 N LYS A 30 -9.389 14.512 1.040 1.00 0.00 N ATOM 317 CA LYS A 30 -9.779 14.243 -0.371 1.00 0.00 C ATOM 318 C LYS A 30 -9.305 15.390 -1.261 1.00 0.00 C ATOM 319 O LYS A 30 -8.818 16.396 -0.783 1.00 0.00 O ATOM 320 CB LYS A 30 -11.302 14.120 -0.464 1.00 0.00 C ATOM 321 CG LYS A 30 -11.662 12.865 -1.262 1.00 0.00 C ATOM 322 CD LYS A 30 -13.182 12.688 -1.275 1.00 0.00 C ATOM 323 CE LYS A 30 -13.525 11.276 -1.756 1.00 0.00 C ATOM 324 NZ LYS A 30 -13.997 10.459 -0.603 1.00 0.00 N ATOM 0 H LYS A 30 -9.885 15.280 1.492 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.318 13.313 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.735 14.066 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.721 15.004 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.286 12.949 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.187 11.990 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.587 12.852 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.640 13.429 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.297 11.320 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.649 10.812 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.230 9.500 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.247 10.407 0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.844 10.899 -0.189 1.00 0.00 H new ATOM 338 N LYS A 31 -9.446 15.255 -2.550 1.00 0.00 N ATOM 339 CA LYS A 31 -9.001 16.347 -3.456 1.00 0.00 C ATOM 340 C LYS A 31 -9.893 17.571 -3.249 1.00 0.00 C ATOM 341 O LYS A 31 -11.047 17.459 -2.885 1.00 0.00 O ATOM 342 CB LYS A 31 -9.100 15.896 -4.912 1.00 0.00 C ATOM 343 CG LYS A 31 -10.524 15.415 -5.202 1.00 0.00 C ATOM 344 CD LYS A 31 -10.848 15.643 -6.679 1.00 0.00 C ATOM 345 CE LYS A 31 -12.204 16.340 -6.802 1.00 0.00 C ATOM 346 NZ LYS A 31 -12.034 17.636 -7.517 1.00 0.00 N ATOM 0 H LYS A 31 -9.848 14.440 -3.012 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.965 16.597 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.840 16.719 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.388 15.094 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.619 14.357 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.236 15.953 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.071 16.251 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.867 14.691 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.904 15.703 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.628 16.511 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.956 18.110 -7.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.380 18.243 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.648 17.461 -8.466 1.00 0.00 H new ATOM 360 N GLY A 32 -9.367 18.739 -3.482 1.00 0.00 N ATOM 361 CA GLY A 32 -10.178 19.978 -3.304 1.00 0.00 C ATOM 362 C GLY A 32 -10.421 20.244 -1.813 1.00 0.00 C ATOM 363 O GLY A 32 -10.941 21.277 -1.440 1.00 0.00 O ATOM 0 H GLY A 32 -8.406 18.892 -3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.662 20.827 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.131 19.875 -3.822 1.00 0.00 H new ATOM 367 N GLU A 33 -10.062 19.325 -0.956 1.00 0.00 N ATOM 368 CA GLU A 33 -10.288 19.540 0.502 1.00 0.00 C ATOM 369 C GLU A 33 -9.251 20.526 1.049 1.00 0.00 C ATOM 370 O GLU A 33 -8.103 20.518 0.653 1.00 0.00 O ATOM 371 CB GLU A 33 -10.157 18.206 1.239 1.00 0.00 C ATOM 372 CG GLU A 33 -11.206 18.131 2.349 1.00 0.00 C ATOM 373 CD GLU A 33 -10.528 18.327 3.707 1.00 0.00 C ATOM 374 OE1 GLU A 33 -9.415 17.854 3.864 1.00 0.00 O ATOM 375 OE2 GLU A 33 -11.133 18.948 4.566 1.00 0.00 O ATOM 0 H GLU A 33 -9.623 18.438 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.287 19.947 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.290 17.379 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.157 18.109 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.967 18.896 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.713 17.167 2.320 1.00 0.00 H new ATOM 382 N LYS A 34 -9.648 21.372 1.961 1.00 0.00 N ATOM 383 CA LYS A 34 -8.687 22.356 2.537 1.00 0.00 C ATOM 384 C LYS A 34 -8.138 21.818 3.858 1.00 0.00 C ATOM 385 O LYS A 34 -8.851 21.243 4.657 1.00 0.00 O ATOM 386 CB LYS A 34 -9.396 23.689 2.777 1.00 0.00 C ATOM 387 CG LYS A 34 -8.477 24.839 2.361 1.00 0.00 C ATOM 388 CD LYS A 34 -9.321 26.002 1.835 1.00 0.00 C ATOM 389 CE LYS A 34 -10.309 26.446 2.917 1.00 0.00 C ATOM 390 NZ LYS A 34 -11.636 26.717 2.297 1.00 0.00 N ATOM 0 H LYS A 34 -10.597 21.424 2.332 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.864 22.510 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.324 23.727 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.664 23.786 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.878 25.166 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.782 24.503 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.676 26.834 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.860 25.697 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.403 25.672 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.939 27.341 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.307 27.019 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.540 27.470 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.989 25.852 1.840 1.00 0.00 H new ATOM 404 N MET A 35 -6.866 21.995 4.082 1.00 0.00 N ATOM 405 CA MET A 35 -6.236 21.497 5.335 1.00 0.00 C ATOM 406 C MET A 35 -5.314 22.567 5.911 1.00 0.00 C ATOM 407 O MET A 35 -4.768 23.385 5.196 1.00 0.00 O ATOM 408 CB MET A 35 -5.403 20.256 5.024 1.00 0.00 C ATOM 409 CG MET A 35 -6.325 19.040 4.908 1.00 0.00 C ATOM 410 SD MET A 35 -6.745 18.765 3.170 1.00 0.00 S ATOM 411 CE MET A 35 -5.054 18.575 2.555 1.00 0.00 C ATOM 0 H MET A 35 -6.229 22.469 3.442 1.00 0.00 H new ATOM 0 HA MET A 35 -7.019 21.257 6.054 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.852 20.398 4.094 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.666 20.093 5.810 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.834 18.158 5.319 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.232 19.201 5.491 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.815 19.403 1.887 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.359 18.574 3.395 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.968 17.634 2.012 1.00 0.00 H new ATOM 421 N LYS A 36 -5.138 22.568 7.200 1.00 0.00 N ATOM 422 CA LYS A 36 -4.251 23.583 7.831 1.00 0.00 C ATOM 423 C LYS A 36 -2.934 22.923 8.241 1.00 0.00 C ATOM 424 O LYS A 36 -2.916 21.972 8.995 1.00 0.00 O ATOM 425 CB LYS A 36 -4.937 24.164 9.069 1.00 0.00 C ATOM 426 CG LYS A 36 -4.054 25.255 9.677 1.00 0.00 C ATOM 427 CD LYS A 36 -4.702 25.783 10.958 1.00 0.00 C ATOM 428 CE LYS A 36 -3.796 26.843 11.590 1.00 0.00 C ATOM 429 NZ LYS A 36 -4.291 27.169 12.957 1.00 0.00 N ATOM 0 H LYS A 36 -5.571 21.908 7.847 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.051 24.383 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.909 24.577 8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.117 23.377 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.064 24.856 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.919 26.068 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.679 26.211 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.866 24.965 11.659 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.771 26.477 11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.784 27.741 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.676 27.889 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.262 27.535 12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.281 26.310 13.544 1.00 0.00 H new ATOM 443 N VAL A 37 -1.833 23.429 7.761 1.00 0.00 N ATOM 444 CA VAL A 37 -0.516 22.841 8.133 1.00 0.00 C ATOM 445 C VAL A 37 -0.090 23.392 9.494 1.00 0.00 C ATOM 446 O VAL A 37 0.133 24.576 9.653 1.00 0.00 O ATOM 447 CB VAL A 37 0.528 23.218 7.079 1.00 0.00 C ATOM 448 CG1 VAL A 37 1.656 22.184 7.087 1.00 0.00 C ATOM 449 CG2 VAL A 37 -0.129 23.244 5.698 1.00 0.00 C ATOM 0 H VAL A 37 -1.788 24.226 7.126 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.599 21.755 8.185 1.00 0.00 H new ATOM 0 HB VAL A 37 0.936 24.203 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.400 22.451 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.124 22.164 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.248 21.199 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.614 23.512 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.536 22.259 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.934 23.979 5.692 1.00 0.00 H new ATOM 459 N LEU A 38 0.018 22.548 10.482 1.00 0.00 N ATOM 460 CA LEU A 38 0.421 23.031 11.831 1.00 0.00 C ATOM 461 C LEU A 38 1.940 22.937 11.985 1.00 0.00 C ATOM 462 O LEU A 38 2.569 23.804 12.560 1.00 0.00 O ATOM 463 CB LEU A 38 -0.253 22.171 12.901 1.00 0.00 C ATOM 464 CG LEU A 38 -1.711 22.607 13.061 1.00 0.00 C ATOM 465 CD1 LEU A 38 -2.504 22.200 11.818 1.00 0.00 C ATOM 466 CD2 LEU A 38 -2.313 21.930 14.295 1.00 0.00 C ATOM 0 H LEU A 38 -0.155 21.545 10.413 1.00 0.00 H new ATOM 0 HA LEU A 38 0.113 24.070 11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.205 21.119 12.620 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.274 22.272 13.850 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.756 23.689 13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.543 22.510 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.075 22.682 10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.460 21.118 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.352 22.240 14.410 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.269 20.848 14.174 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.748 22.220 15.181 1.00 0.00 H new ATOM 478 N GLU A 39 2.537 21.889 11.487 1.00 0.00 N ATOM 479 CA GLU A 39 4.013 21.727 11.611 1.00 0.00 C ATOM 480 C GLU A 39 4.557 21.107 10.324 1.00 0.00 C ATOM 481 O GLU A 39 4.437 19.921 10.094 1.00 0.00 O ATOM 482 CB GLU A 39 4.320 20.798 12.787 1.00 0.00 C ATOM 483 CG GLU A 39 4.530 21.629 14.054 1.00 0.00 C ATOM 484 CD GLU A 39 5.012 20.721 15.186 1.00 0.00 C ATOM 485 OE1 GLU A 39 6.131 20.244 15.101 1.00 0.00 O ATOM 486 OE2 GLU A 39 4.253 20.516 16.120 1.00 0.00 O ATOM 0 H GLU A 39 2.061 21.132 10.996 1.00 0.00 H new ATOM 0 HA GLU A 39 4.479 22.698 11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.500 20.095 12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.212 20.208 12.575 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.261 22.416 13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.599 22.119 14.338 1.00 0.00 H new ATOM 493 N GLU A 40 5.155 21.906 9.482 1.00 0.00 N ATOM 494 CA GLU A 40 5.708 21.370 8.207 1.00 0.00 C ATOM 495 C GLU A 40 7.117 20.827 8.450 1.00 0.00 C ATOM 496 O GLU A 40 8.014 21.551 8.835 1.00 0.00 O ATOM 497 CB GLU A 40 5.767 22.491 7.167 1.00 0.00 C ATOM 498 CG GLU A 40 4.892 22.121 5.968 1.00 0.00 C ATOM 499 CD GLU A 40 4.361 23.397 5.311 1.00 0.00 C ATOM 500 OE1 GLU A 40 5.093 23.986 4.532 1.00 0.00 O ATOM 501 OE2 GLU A 40 3.233 23.763 5.597 1.00 0.00 O ATOM 0 H GLU A 40 5.284 22.908 9.623 1.00 0.00 H new ATOM 0 HA GLU A 40 5.067 20.567 7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.423 23.428 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.796 22.649 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.470 21.542 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.062 21.492 6.290 1.00 0.00 H new ATOM 508 N HIS A 41 7.319 19.558 8.228 1.00 0.00 N ATOM 509 CA HIS A 41 8.670 18.972 8.446 1.00 0.00 C ATOM 510 C HIS A 41 9.486 19.084 7.156 1.00 0.00 C ATOM 511 O HIS A 41 9.986 20.138 6.821 1.00 0.00 O ATOM 512 CB HIS A 41 8.529 17.504 8.848 1.00 0.00 C ATOM 513 CG HIS A 41 7.833 17.418 10.178 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.521 17.188 11.359 1.00 0.00 N ATOM 515 CD2 HIS A 41 6.512 17.531 10.532 1.00 0.00 C ATOM 516 CE1 HIS A 41 7.619 17.170 12.357 1.00 0.00 C ATOM 517 NE2 HIS A 41 6.378 17.374 11.908 1.00 0.00 N ATOM 0 H HIS A 41 6.607 18.902 7.905 1.00 0.00 H new ATOM 0 HA HIS A 41 9.181 19.513 9.242 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.962 16.961 8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.511 17.035 8.908 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.699 17.714 9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.868 17.010 13.396 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.518 17.407 12.455 1.00 0.00 H new ATOM 525 N GLY A 42 9.633 18.008 6.429 1.00 0.00 N ATOM 526 CA GLY A 42 10.426 18.076 5.170 1.00 0.00 C ATOM 527 C GLY A 42 9.740 17.271 4.062 1.00 0.00 C ATOM 528 O GLY A 42 10.083 17.389 2.903 1.00 0.00 O ATOM 0 H GLY A 42 9.241 17.093 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.537 19.115 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.429 17.687 5.343 1.00 0.00 H new ATOM 532 N GLU A 43 8.780 16.450 4.396 1.00 0.00 N ATOM 533 CA GLU A 43 8.101 15.648 3.337 1.00 0.00 C ATOM 534 C GLU A 43 6.691 15.246 3.786 1.00 0.00 C ATOM 535 O GLU A 43 5.841 14.939 2.974 1.00 0.00 O ATOM 536 CB GLU A 43 8.922 14.389 3.054 1.00 0.00 C ATOM 537 CG GLU A 43 9.215 14.303 1.555 1.00 0.00 C ATOM 538 CD GLU A 43 9.792 15.633 1.068 1.00 0.00 C ATOM 539 OE1 GLU A 43 10.986 15.830 1.223 1.00 0.00 O ATOM 540 OE2 GLU A 43 9.031 16.432 0.548 1.00 0.00 O ATOM 0 H GLU A 43 8.439 16.301 5.346 1.00 0.00 H new ATOM 0 HA GLU A 43 8.021 16.253 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.855 14.415 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.376 13.504 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.920 13.495 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.301 14.069 1.008 1.00 0.00 H new ATOM 547 N TRP A 44 6.426 15.250 5.064 1.00 0.00 N ATOM 548 CA TRP A 44 5.062 14.871 5.537 1.00 0.00 C ATOM 549 C TRP A 44 4.619 15.855 6.629 1.00 0.00 C ATOM 550 O TRP A 44 4.951 15.698 7.786 1.00 0.00 O ATOM 551 CB TRP A 44 5.086 13.450 6.104 1.00 0.00 C ATOM 552 CG TRP A 44 5.168 12.454 4.987 1.00 0.00 C ATOM 553 CD1 TRP A 44 6.295 12.125 4.312 1.00 0.00 C ATOM 554 CD2 TRP A 44 4.099 11.653 4.409 1.00 0.00 C ATOM 555 NE1 TRP A 44 5.990 11.157 3.368 1.00 0.00 N ATOM 556 CE2 TRP A 44 4.643 10.838 3.385 1.00 0.00 C ATOM 557 CE3 TRP A 44 2.723 11.553 4.674 1.00 0.00 C ATOM 558 CZ2 TRP A 44 3.845 9.957 2.652 1.00 0.00 C ATOM 559 CZ3 TRP A 44 1.919 10.670 3.937 1.00 0.00 C ATOM 560 CH2 TRP A 44 2.479 9.874 2.929 1.00 0.00 C ATOM 0 H TRP A 44 7.090 15.498 5.798 1.00 0.00 H new ATOM 0 HA TRP A 44 4.362 14.908 4.702 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.939 13.331 6.772 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.189 13.271 6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.274 12.549 4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.672 10.733 2.740 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.281 12.160 5.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.281 9.345 1.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.862 10.604 4.148 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.854 9.196 2.366 1.00 0.00 H new ATOM 571 N TRP A 45 3.885 16.873 6.273 1.00 0.00 N ATOM 572 CA TRP A 45 3.443 17.870 7.296 1.00 0.00 C ATOM 573 C TRP A 45 2.139 17.420 7.953 1.00 0.00 C ATOM 574 O TRP A 45 1.250 16.900 7.311 1.00 0.00 O ATOM 575 CB TRP A 45 3.211 19.229 6.630 1.00 0.00 C ATOM 576 CG TRP A 45 4.042 19.343 5.393 1.00 0.00 C ATOM 577 CD1 TRP A 45 5.336 18.964 5.286 1.00 0.00 C ATOM 578 CD2 TRP A 45 3.660 19.869 4.090 1.00 0.00 C ATOM 579 NE1 TRP A 45 5.772 19.225 3.998 1.00 0.00 N ATOM 580 CE2 TRP A 45 4.774 19.783 3.223 1.00 0.00 C ATOM 581 CE3 TRP A 45 2.464 20.408 3.581 1.00 0.00 C ATOM 582 CZ2 TRP A 45 4.706 20.216 1.899 1.00 0.00 C ATOM 583 CZ3 TRP A 45 2.391 20.845 2.248 1.00 0.00 C ATOM 584 CH2 TRP A 45 3.510 20.749 1.409 1.00 0.00 C ATOM 0 H TRP A 45 3.571 17.060 5.321 1.00 0.00 H new ATOM 0 HA TRP A 45 4.223 17.951 8.053 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.156 19.345 6.381 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.465 20.031 7.323 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.931 18.529 6.075 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.715 19.029 3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.596 20.486 4.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.571 20.140 1.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.468 21.257 1.868 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.448 21.087 0.385 1.00 0.00 H new ATOM 595 N LYS A 46 2.014 17.640 9.235 1.00 0.00 N ATOM 596 CA LYS A 46 0.764 17.252 9.944 1.00 0.00 C ATOM 597 C LYS A 46 -0.234 18.405 9.833 1.00 0.00 C ATOM 598 O LYS A 46 -0.081 19.434 10.460 1.00 0.00 O ATOM 599 CB LYS A 46 1.071 16.978 11.417 1.00 0.00 C ATOM 600 CG LYS A 46 0.373 15.687 11.850 1.00 0.00 C ATOM 601 CD LYS A 46 0.314 15.627 13.378 1.00 0.00 C ATOM 602 CE LYS A 46 -1.035 16.166 13.858 1.00 0.00 C ATOM 603 NZ LYS A 46 -1.069 17.644 13.686 1.00 0.00 N ATOM 0 H LYS A 46 2.727 18.073 9.822 1.00 0.00 H new ATOM 0 HA LYS A 46 0.346 16.350 9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.147 16.890 11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.732 17.812 12.032 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.634 15.649 11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.911 14.822 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.449 14.600 13.718 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.126 16.214 13.807 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.845 15.705 13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.190 15.908 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.828 18.044 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.156 18.048 13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.246 17.873 12.687 1.00 0.00 H new ATOM 617 N ALA A 47 -1.245 18.248 9.027 1.00 0.00 N ATOM 618 CA ALA A 47 -2.242 19.340 8.862 1.00 0.00 C ATOM 619 C ALA A 47 -3.525 19.000 9.616 1.00 0.00 C ATOM 620 O ALA A 47 -3.598 18.030 10.345 1.00 0.00 O ATOM 621 CB ALA A 47 -2.559 19.523 7.376 1.00 0.00 C ATOM 0 H ALA A 47 -1.424 17.409 8.475 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.826 20.263 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.289 20.323 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.647 19.781 6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.967 18.596 6.974 1.00 0.00 H new ATOM 627 N LYS A 48 -4.538 19.805 9.449 1.00 0.00 N ATOM 628 CA LYS A 48 -5.823 19.553 10.153 1.00 0.00 C ATOM 629 C LYS A 48 -6.967 19.542 9.137 1.00 0.00 C ATOM 630 O LYS A 48 -7.081 20.428 8.312 1.00 0.00 O ATOM 631 CB LYS A 48 -6.067 20.674 11.165 1.00 0.00 C ATOM 632 CG LYS A 48 -6.863 20.123 12.350 1.00 0.00 C ATOM 633 CD LYS A 48 -7.327 21.281 13.235 1.00 0.00 C ATOM 634 CE LYS A 48 -8.155 20.733 14.400 1.00 0.00 C ATOM 635 NZ LYS A 48 -7.457 21.021 15.685 1.00 0.00 N ATOM 0 H LYS A 48 -4.529 20.631 8.851 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.777 18.591 10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.117 21.082 11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.613 21.492 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.723 19.557 11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.246 19.434 12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.466 21.831 13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.922 21.983 12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.145 21.188 14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.298 19.659 14.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.019 20.649 16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.521 20.567 15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.342 22.049 15.795 1.00 0.00 H new ATOM 649 N SER A 49 -7.814 18.553 9.181 1.00 0.00 N ATOM 650 CA SER A 49 -8.944 18.503 8.211 1.00 0.00 C ATOM 651 C SER A 49 -10.036 19.482 8.635 1.00 0.00 C ATOM 652 O SER A 49 -10.505 19.457 9.756 1.00 0.00 O ATOM 653 CB SER A 49 -9.533 17.096 8.182 1.00 0.00 C ATOM 654 OG SER A 49 -10.090 16.843 6.901 1.00 0.00 O ATOM 0 H SER A 49 -7.774 17.779 9.844 1.00 0.00 H new ATOM 0 HA SER A 49 -8.571 18.772 7.223 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.759 16.362 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.300 16.995 8.950 1.00 0.00 H new ATOM 0 HG SER A 49 -10.467 15.939 6.881 1.00 0.00 H new ATOM 660 N LEU A 50 -10.460 20.329 7.743 1.00 0.00 N ATOM 661 CA LEU A 50 -11.537 21.291 8.089 1.00 0.00 C ATOM 662 C LEU A 50 -12.855 20.526 8.205 1.00 0.00 C ATOM 663 O LEU A 50 -13.865 21.062 8.615 1.00 0.00 O ATOM 664 CB LEU A 50 -11.653 22.349 6.990 1.00 0.00 C ATOM 665 CG LEU A 50 -11.178 23.699 7.530 1.00 0.00 C ATOM 666 CD1 LEU A 50 -10.560 24.515 6.393 1.00 0.00 C ATOM 667 CD2 LEU A 50 -12.366 24.461 8.118 1.00 0.00 C ATOM 0 H LEU A 50 -10.107 20.396 6.789 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.307 21.784 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.054 22.059 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.686 22.424 6.650 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.431 23.536 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.222 25.477 6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.712 23.973 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.306 24.678 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.027 25.423 8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.114 24.624 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.805 23.880 8.929 1.00 0.00 H new ATOM 679 N LEU A 51 -12.850 19.268 7.845 1.00 0.00 N ATOM 680 CA LEU A 51 -14.095 18.458 7.934 1.00 0.00 C ATOM 681 C LEU A 51 -14.659 18.552 9.348 1.00 0.00 C ATOM 682 O LEU A 51 -15.793 18.936 9.552 1.00 0.00 O ATOM 683 CB LEU A 51 -13.781 16.998 7.604 1.00 0.00 C ATOM 684 CG LEU A 51 -15.000 16.350 6.943 1.00 0.00 C ATOM 685 CD1 LEU A 51 -15.329 17.090 5.646 1.00 0.00 C ATOM 686 CD2 LEU A 51 -14.691 14.884 6.629 1.00 0.00 C ATOM 0 H LEU A 51 -12.033 18.768 7.493 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.829 18.838 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.920 16.942 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.517 16.457 8.513 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.853 16.405 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -16.197 16.629 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.548 18.134 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.476 17.035 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.559 14.422 6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.839 14.829 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.455 14.356 7.553 1.00 0.00 H new ATOM 698 N THR A 52 -13.873 18.214 10.331 1.00 0.00 N ATOM 699 CA THR A 52 -14.371 18.297 11.731 1.00 0.00 C ATOM 700 C THR A 52 -13.193 18.327 12.709 1.00 0.00 C ATOM 701 O THR A 52 -13.315 17.918 13.845 1.00 0.00 O ATOM 702 CB THR A 52 -15.273 17.101 12.035 1.00 0.00 C ATOM 703 OG1 THR A 52 -15.498 17.024 13.435 1.00 0.00 O ATOM 704 CG2 THR A 52 -14.596 15.817 11.553 1.00 0.00 C ATOM 0 H THR A 52 -12.913 17.886 10.227 1.00 0.00 H new ATOM 0 HA THR A 52 -14.947 19.215 11.847 1.00 0.00 H new ATOM 0 HB THR A 52 -16.226 17.222 11.521 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.663 16.782 13.888 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.239 14.964 11.769 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.423 15.878 10.478 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.643 15.693 12.067 1.00 0.00 H new ATOM 712 N LYS A 53 -12.064 18.837 12.284 1.00 0.00 N ATOM 713 CA LYS A 53 -10.883 18.935 13.197 1.00 0.00 C ATOM 714 C LYS A 53 -10.062 17.644 13.177 1.00 0.00 C ATOM 715 O LYS A 53 -9.622 17.166 14.205 1.00 0.00 O ATOM 716 CB LYS A 53 -11.355 19.211 14.629 1.00 0.00 C ATOM 717 CG LYS A 53 -12.409 20.320 14.615 1.00 0.00 C ATOM 718 CD LYS A 53 -12.411 21.039 15.967 1.00 0.00 C ATOM 719 CE LYS A 53 -13.108 20.161 17.008 1.00 0.00 C ATOM 720 NZ LYS A 53 -13.280 20.933 18.272 1.00 0.00 N ATOM 0 H LYS A 53 -11.909 19.191 11.340 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.253 19.754 12.848 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.772 18.304 15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.510 19.506 15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.196 21.029 13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.394 19.898 14.414 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.389 21.251 16.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.924 21.997 15.881 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.078 19.834 16.634 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.520 19.263 17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.754 20.337 18.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.348 21.223 18.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.858 21.777 18.087 1.00 0.00 H new ATOM 734 N LYS A 54 -9.815 17.097 12.023 1.00 0.00 N ATOM 735 CA LYS A 54 -8.978 15.867 11.954 1.00 0.00 C ATOM 736 C LYS A 54 -7.514 16.299 11.858 1.00 0.00 C ATOM 737 O LYS A 54 -7.169 17.157 11.072 1.00 0.00 O ATOM 738 CB LYS A 54 -9.363 15.040 10.727 1.00 0.00 C ATOM 739 CG LYS A 54 -10.655 14.272 11.017 1.00 0.00 C ATOM 740 CD LYS A 54 -10.401 12.771 10.872 1.00 0.00 C ATOM 741 CE LYS A 54 -10.816 12.057 12.161 1.00 0.00 C ATOM 742 NZ LYS A 54 -12.160 11.441 11.978 1.00 0.00 N ATOM 0 H LYS A 54 -10.154 17.445 11.126 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.133 15.253 12.841 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.500 15.692 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.562 14.345 10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.005 14.496 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.440 14.587 10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.965 12.376 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.347 12.588 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.085 11.290 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.838 12.764 12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.442 10.956 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.854 12.182 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.124 10.754 11.198 1.00 0.00 H new ATOM 756 N GLU A 55 -6.650 15.729 12.649 1.00 0.00 N ATOM 757 CA GLU A 55 -5.217 16.136 12.587 1.00 0.00 C ATOM 758 C GLU A 55 -4.351 14.919 12.268 1.00 0.00 C ATOM 759 O GLU A 55 -4.344 13.944 12.994 1.00 0.00 O ATOM 760 CB GLU A 55 -4.795 16.720 13.936 1.00 0.00 C ATOM 761 CG GLU A 55 -4.844 15.625 15.004 1.00 0.00 C ATOM 762 CD GLU A 55 -5.001 16.267 16.384 1.00 0.00 C ATOM 763 OE1 GLU A 55 -4.265 17.196 16.671 1.00 0.00 O ATOM 764 OE2 GLU A 55 -5.854 15.817 17.131 1.00 0.00 O ATOM 0 H GLU A 55 -6.870 15.004 13.332 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.088 16.887 11.807 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.788 17.131 13.867 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.456 17.541 14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.676 14.948 14.809 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.933 15.028 14.970 1.00 0.00 H new ATOM 771 N GLY A 56 -3.621 14.962 11.188 1.00 0.00 N ATOM 772 CA GLY A 56 -2.763 13.799 10.836 1.00 0.00 C ATOM 773 C GLY A 56 -1.642 14.245 9.899 1.00 0.00 C ATOM 774 O GLY A 56 -1.644 15.343 9.380 1.00 0.00 O ATOM 0 H GLY A 56 -3.582 15.747 10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.340 13.361 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.363 13.025 10.357 1.00 0.00 H new ATOM 778 N PHE A 57 -0.684 13.390 9.681 1.00 0.00 N ATOM 779 CA PHE A 57 0.447 13.738 8.780 1.00 0.00 C ATOM 780 C PHE A 57 -0.035 13.772 7.330 1.00 0.00 C ATOM 781 O PHE A 57 -0.722 12.879 6.873 1.00 0.00 O ATOM 782 CB PHE A 57 1.542 12.682 8.923 1.00 0.00 C ATOM 783 CG PHE A 57 2.504 13.112 10.004 1.00 0.00 C ATOM 784 CD1 PHE A 57 2.262 12.757 11.336 1.00 0.00 C ATOM 785 CD2 PHE A 57 3.637 13.866 9.676 1.00 0.00 C ATOM 786 CE1 PHE A 57 3.154 13.155 12.340 1.00 0.00 C ATOM 787 CE2 PHE A 57 4.529 14.264 10.679 1.00 0.00 C ATOM 788 CZ PHE A 57 4.287 13.908 12.011 1.00 0.00 C ATOM 0 H PHE A 57 -0.636 12.458 10.092 1.00 0.00 H new ATOM 0 HA PHE A 57 0.837 14.719 9.051 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.103 11.716 9.173 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.070 12.557 7.978 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.388 12.176 11.590 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.823 14.141 8.648 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.968 12.881 13.368 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.403 14.845 10.425 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.975 14.215 12.785 1.00 0.00 H new ATOM 798 N ILE A 58 0.328 14.788 6.603 1.00 0.00 N ATOM 799 CA ILE A 58 -0.098 14.877 5.178 1.00 0.00 C ATOM 800 C ILE A 58 1.152 14.974 4.309 1.00 0.00 C ATOM 801 O ILE A 58 2.126 15.596 4.683 1.00 0.00 O ATOM 802 CB ILE A 58 -0.973 16.118 4.974 1.00 0.00 C ATOM 803 CG1 ILE A 58 -0.154 17.380 5.253 1.00 0.00 C ATOM 804 CG2 ILE A 58 -2.165 16.063 5.931 1.00 0.00 C ATOM 805 CD1 ILE A 58 -0.526 18.463 4.238 1.00 0.00 C ATOM 0 H ILE A 58 0.903 15.563 6.933 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.677 13.995 4.903 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.331 16.141 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.345 17.734 6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.911 17.157 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.788 16.945 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.752 15.167 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.805 16.037 6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.057 19.363 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.312 18.106 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.588 18.693 4.324 1.00 0.00 H new ATOM 817 N PRO A 59 1.142 14.330 3.135 1.00 0.00 N ATOM 818 CA PRO A 59 2.301 14.344 2.245 1.00 0.00 C ATOM 819 C PRO A 59 2.509 15.720 1.602 1.00 0.00 C ATOM 820 O PRO A 59 1.605 16.531 1.540 1.00 0.00 O ATOM 821 CB PRO A 59 1.958 13.298 1.189 1.00 0.00 C ATOM 822 CG PRO A 59 0.469 13.231 1.186 1.00 0.00 C ATOM 823 CD PRO A 59 0.021 13.544 2.588 1.00 0.00 C ATOM 0 HA PRO A 59 3.230 14.131 2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.343 13.584 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.397 12.331 1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.051 13.945 0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.126 12.242 0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.910 14.111 2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.154 12.637 3.166 1.00 0.00 H new ATOM 831 N SER A 60 3.692 15.990 1.134 1.00 0.00 N ATOM 832 CA SER A 60 3.962 17.313 0.507 1.00 0.00 C ATOM 833 C SER A 60 3.608 17.271 -0.981 1.00 0.00 C ATOM 834 O SER A 60 3.880 18.199 -1.716 1.00 0.00 O ATOM 835 CB SER A 60 5.443 17.657 0.668 1.00 0.00 C ATOM 836 OG SER A 60 6.230 16.693 -0.017 1.00 0.00 O ATOM 0 H SER A 60 4.487 15.351 1.158 1.00 0.00 H new ATOM 0 HA SER A 60 3.352 18.072 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.641 18.653 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.710 17.676 1.725 1.00 0.00 H new ATOM 0 HG SER A 60 7.153 16.733 0.309 1.00 0.00 H new ATOM 842 N ASN A 61 3.015 16.204 -1.438 1.00 0.00 N ATOM 843 CA ASN A 61 2.666 16.117 -2.883 1.00 0.00 C ATOM 844 C ASN A 61 1.153 16.248 -3.074 1.00 0.00 C ATOM 845 O ASN A 61 0.683 17.074 -3.831 1.00 0.00 O ATOM 846 CB ASN A 61 3.150 14.770 -3.439 1.00 0.00 C ATOM 847 CG ASN A 61 2.112 14.196 -4.407 1.00 0.00 C ATOM 848 OD1 ASN A 61 1.791 12.934 -4.324 1.00 0.00 O flip ATOM 849 ND2 ASN A 61 1.588 14.902 -5.245 1.00 0.00 N flip ATOM 0 H ASN A 61 2.758 15.392 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 61 3.153 16.931 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.103 14.901 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.321 14.071 -2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.839 15.889 -5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.897 14.508 -5.884 1.00 0.00 H new ATOM 856 N TYR A 62 0.389 15.427 -2.415 1.00 0.00 N ATOM 857 CA TYR A 62 -1.093 15.483 -2.578 1.00 0.00 C ATOM 858 C TYR A 62 -1.608 16.915 -2.448 1.00 0.00 C ATOM 859 O TYR A 62 -2.187 17.465 -3.364 1.00 0.00 O ATOM 860 CB TYR A 62 -1.763 14.637 -1.495 1.00 0.00 C ATOM 861 CG TYR A 62 -1.794 13.183 -1.898 1.00 0.00 C ATOM 862 CD1 TYR A 62 -2.018 12.816 -3.232 1.00 0.00 C ATOM 863 CD2 TYR A 62 -1.601 12.198 -0.925 1.00 0.00 C ATOM 864 CE1 TYR A 62 -2.048 11.461 -3.587 1.00 0.00 C ATOM 865 CE2 TYR A 62 -1.630 10.846 -1.279 1.00 0.00 C ATOM 866 CZ TYR A 62 -1.854 10.476 -2.611 1.00 0.00 C ATOM 867 OH TYR A 62 -1.882 9.142 -2.961 1.00 0.00 O ATOM 0 H TYR A 62 0.726 14.715 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.333 15.102 -3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.223 14.748 -0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.779 14.994 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.167 13.576 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.429 12.482 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.221 11.176 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.480 10.087 -0.526 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.371 9.010 -3.787 1.00 0.00 H new ATOM 877 N VAL A 63 -1.440 17.507 -1.302 1.00 0.00 N ATOM 878 CA VAL A 63 -1.964 18.885 -1.095 1.00 0.00 C ATOM 879 C VAL A 63 -1.030 19.927 -1.707 1.00 0.00 C ATOM 880 O VAL A 63 0.153 19.708 -1.882 1.00 0.00 O ATOM 881 CB VAL A 63 -2.122 19.154 0.403 1.00 0.00 C ATOM 882 CG1 VAL A 63 -2.766 17.940 1.074 1.00 0.00 C ATOM 883 CG2 VAL A 63 -0.745 19.408 1.025 1.00 0.00 C ATOM 0 H VAL A 63 -0.963 17.098 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.932 18.961 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.755 20.029 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.879 18.131 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.746 17.757 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.133 17.065 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.858 19.600 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.112 18.533 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.284 20.273 0.548 1.00 0.00 H new ATOM 893 N ALA A 64 -1.576 21.069 -2.025 1.00 0.00 N ATOM 894 CA ALA A 64 -0.772 22.167 -2.624 1.00 0.00 C ATOM 895 C ALA A 64 -1.091 23.463 -1.878 1.00 0.00 C ATOM 896 O ALA A 64 -2.106 23.572 -1.220 1.00 0.00 O ATOM 897 CB ALA A 64 -1.150 22.325 -4.098 1.00 0.00 C ATOM 0 H ALA A 64 -2.563 21.289 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 64 0.291 21.940 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.562 23.129 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.947 21.394 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.210 22.564 -4.178 1.00 0.00 H new ATOM 903 N LYS A 65 -0.241 24.446 -1.968 1.00 0.00 N ATOM 904 CA LYS A 65 -0.520 25.723 -1.254 1.00 0.00 C ATOM 905 C LYS A 65 -1.594 26.507 -2.012 1.00 0.00 C ATOM 906 O LYS A 65 -1.741 26.377 -3.211 1.00 0.00 O ATOM 907 CB LYS A 65 0.762 26.555 -1.176 1.00 0.00 C ATOM 908 CG LYS A 65 0.436 27.940 -0.611 1.00 0.00 C ATOM 909 CD LYS A 65 1.694 28.546 0.012 1.00 0.00 C ATOM 910 CE LYS A 65 1.718 28.241 1.511 1.00 0.00 C ATOM 911 NZ LYS A 65 3.105 27.884 1.925 1.00 0.00 N ATOM 0 H LYS A 65 0.629 24.422 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.873 25.506 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.495 26.055 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.208 26.650 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.061 28.588 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.352 27.863 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.583 28.137 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.711 29.624 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.371 29.107 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.037 27.420 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.295 28.270 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.205 26.849 1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.784 28.284 1.246 1.00 0.00 H new ATOM 925 N LEU A 66 -2.348 27.317 -1.321 1.00 0.00 N ATOM 926 CA LEU A 66 -3.413 28.106 -2.002 1.00 0.00 C ATOM 927 C LEU A 66 -2.784 29.299 -2.725 1.00 0.00 C ATOM 928 O LEU A 66 -2.930 30.433 -2.314 1.00 0.00 O ATOM 929 CB LEU A 66 -4.416 28.612 -0.963 1.00 0.00 C ATOM 930 CG LEU A 66 -5.840 28.364 -1.463 1.00 0.00 C ATOM 931 CD1 LEU A 66 -6.748 28.036 -0.277 1.00 0.00 C ATOM 932 CD2 LEU A 66 -6.358 29.619 -2.170 1.00 0.00 C ATOM 0 H LEU A 66 -2.273 27.467 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.926 27.473 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.259 28.102 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.263 29.676 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.839 27.527 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.763 27.859 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.380 27.142 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.750 28.872 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.373 29.443 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.359 30.456 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.712 29.853 -3.016 1.00 0.00 H new ATOM 944 N ASN A 67 -2.089 29.053 -3.802 1.00 0.00 N ATOM 945 CA ASN A 67 -1.454 30.176 -4.549 1.00 0.00 C ATOM 946 C ASN A 67 -1.053 29.698 -5.946 1.00 0.00 C ATOM 947 O ASN A 67 -0.312 28.748 -6.098 1.00 0.00 O ATOM 948 CB ASN A 67 -0.212 30.654 -3.795 1.00 0.00 C ATOM 949 CG ASN A 67 0.030 32.135 -4.099 1.00 0.00 C ATOM 950 OD1 ASN A 67 0.830 32.469 -4.949 1.00 0.00 O ATOM 951 ND2 ASN A 67 -0.632 33.040 -3.433 1.00 0.00 N ATOM 0 H ASN A 67 -1.934 28.125 -4.196 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.163 30.999 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.346 30.509 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.656 30.064 -4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.478 34.030 -3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.304 32.758 -2.719 1.00 0.00 H new ATOM 958 N THR A 68 -1.536 30.351 -6.968 1.00 0.00 N ATOM 959 CA THR A 68 -1.182 29.935 -8.354 1.00 0.00 C ATOM 960 C THR A 68 -0.240 30.971 -8.971 1.00 0.00 C ATOM 961 O THR A 68 -0.721 32.023 -9.360 1.00 0.00 O ATOM 962 CB THR A 68 -2.454 29.836 -9.199 1.00 0.00 C ATOM 963 OG1 THR A 68 -3.414 29.044 -8.512 1.00 0.00 O ATOM 964 CG2 THR A 68 -2.125 29.189 -10.545 1.00 0.00 C ATOM 965 OXT THR A 68 0.947 30.695 -9.046 1.00 0.00 O ATOM 0 H THR A 68 -2.161 31.155 -6.902 1.00 0.00 H new ATOM 0 HA THR A 68 -0.688 28.964 -8.327 1.00 0.00 H new ATOM 0 HB THR A 68 -2.858 30.834 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.231 28.980 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.031 29.119 -11.146 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.387 29.796 -11.070 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.721 28.190 -10.380 1.00 0.00 H new TER 973 THR A 68 ATOM 974 N TRP B 170 -13.867 21.808 -17.899 1.00 0.00 N ATOM 975 CA TRP B 170 -12.552 21.311 -17.407 1.00 0.00 C ATOM 976 C TRP B 170 -12.201 20.004 -18.121 1.00 0.00 C ATOM 977 O TRP B 170 -12.940 19.525 -18.959 1.00 0.00 O ATOM 978 CB TRP B 170 -12.631 21.063 -15.900 1.00 0.00 C ATOM 979 CG TRP B 170 -12.606 22.371 -15.178 1.00 0.00 C ATOM 980 CD1 TRP B 170 -11.870 23.445 -15.542 1.00 0.00 C ATOM 981 CD2 TRP B 170 -13.335 22.762 -13.978 1.00 0.00 C ATOM 982 NE1 TRP B 170 -12.099 24.471 -14.643 1.00 0.00 N ATOM 983 CE2 TRP B 170 -12.996 24.098 -13.660 1.00 0.00 C ATOM 984 CE3 TRP B 170 -14.249 22.095 -13.143 1.00 0.00 C ATOM 985 CZ2 TRP B 170 -13.542 24.749 -12.553 1.00 0.00 C ATOM 986 CZ3 TRP B 170 -14.801 22.746 -12.027 1.00 0.00 C ATOM 987 CH2 TRP B 170 -14.448 24.071 -11.734 1.00 0.00 C ATOM 0 HA TRP B 170 -11.783 22.056 -17.613 1.00 0.00 H new ATOM 0 HB2 TRP B 170 -13.544 20.519 -15.658 1.00 0.00 H new ATOM 0 HB3 TRP B 170 -11.795 20.442 -15.579 1.00 0.00 H new ATOM 0 HD1 TRP B 170 -11.210 23.494 -16.396 1.00 0.00 H new ATOM 0 HE1 TRP B 170 -11.660 25.390 -14.699 1.00 0.00 H new ATOM 0 HE3 TRP B 170 -14.529 21.075 -13.361 1.00 0.00 H new ATOM 0 HZ2 TRP B 170 -13.266 25.769 -12.331 1.00 0.00 H new ATOM 0 HZ3 TRP B 170 -15.501 22.223 -11.392 1.00 0.00 H new ATOM 0 HH2 TRP B 170 -14.876 24.567 -10.876 1.00 0.00 H new ATOM 1000 N ASP B 171 -11.079 19.423 -17.796 1.00 0.00 N ATOM 1001 CA ASP B 171 -10.682 18.147 -18.453 1.00 0.00 C ATOM 1002 C ASP B 171 -9.273 17.768 -17.997 1.00 0.00 C ATOM 1003 O ASP B 171 -8.371 17.620 -18.797 1.00 0.00 O ATOM 1004 CB ASP B 171 -10.697 18.328 -19.972 1.00 0.00 C ATOM 1005 CG ASP B 171 -11.973 17.710 -20.547 1.00 0.00 C ATOM 1006 OD1 ASP B 171 -12.128 16.505 -20.434 1.00 0.00 O ATOM 1007 OD2 ASP B 171 -12.774 18.453 -21.090 1.00 0.00 O ATOM 0 H ASP B 171 -10.420 19.778 -17.103 1.00 0.00 H new ATOM 0 HA ASP B 171 -11.382 17.358 -18.178 1.00 0.00 H new ATOM 0 HB2 ASP B 171 -10.648 19.388 -20.223 1.00 0.00 H new ATOM 0 HB3 ASP B 171 -9.820 17.855 -20.414 1.00 0.00 H new ATOM 1012 N PRO B 172 -9.084 17.616 -16.678 1.00 0.00 N ATOM 1013 CA PRO B 172 -7.800 17.266 -16.092 1.00 0.00 C ATOM 1014 C PRO B 172 -7.658 15.754 -15.892 1.00 0.00 C ATOM 1015 O PRO B 172 -7.003 15.076 -16.657 1.00 0.00 O ATOM 1016 CB PRO B 172 -7.851 17.975 -14.741 1.00 0.00 C ATOM 1017 CG PRO B 172 -9.311 18.122 -14.408 1.00 0.00 C ATOM 1018 CD PRO B 172 -10.110 17.774 -15.642 1.00 0.00 C ATOM 0 HA PRO B 172 -6.957 17.555 -16.719 1.00 0.00 H new ATOM 0 HB2 PRO B 172 -7.332 17.397 -13.976 1.00 0.00 H new ATOM 0 HB3 PRO B 172 -7.362 18.948 -14.792 1.00 0.00 H new ATOM 0 HG2 PRO B 172 -9.581 17.465 -13.582 1.00 0.00 H new ATOM 0 HG3 PRO B 172 -9.528 19.141 -14.089 1.00 0.00 H new ATOM 0 HD2 PRO B 172 -10.685 16.859 -15.503 1.00 0.00 H new ATOM 0 HD3 PRO B 172 -10.820 18.561 -15.896 1.00 0.00 H new ATOM 1026 N GLY B 173 -8.266 15.222 -14.866 1.00 0.00 N ATOM 1027 CA GLY B 173 -8.164 13.757 -14.616 1.00 0.00 C ATOM 1028 C GLY B 173 -8.351 13.483 -13.122 1.00 0.00 C ATOM 1029 O GLY B 173 -8.680 12.384 -12.720 1.00 0.00 O ATOM 0 H GLY B 173 -8.829 15.739 -14.191 1.00 0.00 H new ATOM 0 HA2 GLY B 173 -8.921 13.225 -15.192 1.00 0.00 H new ATOM 0 HA3 GLY B 173 -7.193 13.387 -14.946 1.00 0.00 H new ATOM 1033 N MET B 174 -8.142 14.475 -12.300 1.00 0.00 N ATOM 1034 CA MET B 174 -8.304 14.281 -10.830 1.00 0.00 C ATOM 1035 C MET B 174 -7.750 12.912 -10.427 1.00 0.00 C ATOM 1036 O MET B 174 -8.412 12.136 -9.765 1.00 0.00 O ATOM 1037 CB MET B 174 -9.789 14.358 -10.465 1.00 0.00 C ATOM 1038 CG MET B 174 -10.573 13.337 -11.291 1.00 0.00 C ATOM 1039 SD MET B 174 -12.289 13.287 -10.715 1.00 0.00 S ATOM 1040 CE MET B 174 -12.212 11.664 -9.918 1.00 0.00 C ATOM 0 H MET B 174 -7.865 15.415 -12.584 1.00 0.00 H new ATOM 0 HA MET B 174 -7.758 15.062 -10.301 1.00 0.00 H new ATOM 0 HB2 MET B 174 -9.923 14.161 -9.401 1.00 0.00 H new ATOM 0 HB3 MET B 174 -10.169 15.362 -10.653 1.00 0.00 H new ATOM 0 HG2 MET B 174 -10.540 13.605 -12.347 1.00 0.00 H new ATOM 0 HG3 MET B 174 -10.118 12.351 -11.198 1.00 0.00 H new ATOM 0 HE1 MET B 174 -13.183 11.425 -9.485 1.00 0.00 H new ATOM 0 HE2 MET B 174 -11.948 10.908 -10.657 1.00 0.00 H new ATOM 0 HE3 MET B 174 -11.458 11.681 -9.131 1.00 0.00 H new ATOM 1050 N PRO B 175 -6.508 12.616 -10.835 1.00 0.00 N ATOM 1051 CA PRO B 175 -5.858 11.344 -10.518 1.00 0.00 C ATOM 1052 C PRO B 175 -5.313 11.330 -9.090 1.00 0.00 C ATOM 1053 O PRO B 175 -5.699 12.126 -8.259 1.00 0.00 O ATOM 1054 CB PRO B 175 -4.701 11.275 -11.510 1.00 0.00 C ATOM 1055 CG PRO B 175 -4.390 12.695 -11.855 1.00 0.00 C ATOM 1056 CD PRO B 175 -5.646 13.499 -11.636 1.00 0.00 C ATOM 0 HA PRO B 175 -6.549 10.504 -10.587 1.00 0.00 H new ATOM 0 HB2 PRO B 175 -3.836 10.779 -11.071 1.00 0.00 H new ATOM 0 HB3 PRO B 175 -4.978 10.706 -12.398 1.00 0.00 H new ATOM 0 HG2 PRO B 175 -3.579 13.072 -11.232 1.00 0.00 H new ATOM 0 HG3 PRO B 175 -4.059 12.775 -12.891 1.00 0.00 H new ATOM 0 HD2 PRO B 175 -5.435 14.431 -11.112 1.00 0.00 H new ATOM 0 HD3 PRO B 175 -6.118 13.765 -12.582 1.00 0.00 H new ATOM 1064 N THR B 176 -4.417 10.431 -8.803 1.00 0.00 N ATOM 1065 CA THR B 176 -3.836 10.358 -7.433 1.00 0.00 C ATOM 1066 C THR B 176 -2.426 9.769 -7.515 1.00 0.00 C ATOM 1067 O THR B 176 -2.242 8.568 -7.470 1.00 0.00 O ATOM 1068 CB THR B 176 -4.706 9.464 -6.546 1.00 0.00 C ATOM 1069 OG1 THR B 176 -5.108 8.316 -7.282 1.00 0.00 O ATOM 1070 CG2 THR B 176 -5.944 10.237 -6.087 1.00 0.00 C ATOM 0 H THR B 176 -4.059 9.739 -9.461 1.00 0.00 H new ATOM 0 HA THR B 176 -3.796 11.359 -7.005 1.00 0.00 H new ATOM 0 HB THR B 176 -4.132 9.155 -5.672 1.00 0.00 H new ATOM 0 HG1 THR B 176 -4.318 7.879 -7.663 1.00 0.00 H new ATOM 0 HG21 THR B 176 -6.560 9.596 -5.456 1.00 0.00 H new ATOM 0 HG22 THR B 176 -5.635 11.115 -5.520 1.00 0.00 H new ATOM 0 HG23 THR B 176 -6.520 10.551 -6.957 1.00 0.00 H new ATOM 1078 N PRO B 177 -1.413 10.637 -7.640 1.00 0.00 N ATOM 1079 CA PRO B 177 -0.010 10.213 -7.732 1.00 0.00 C ATOM 1080 C PRO B 177 0.496 9.632 -6.409 1.00 0.00 C ATOM 1081 O PRO B 177 -0.189 9.663 -5.407 1.00 0.00 O ATOM 1082 CB PRO B 177 0.735 11.510 -8.046 1.00 0.00 C ATOM 1083 CG PRO B 177 -0.146 12.585 -7.504 1.00 0.00 C ATOM 1084 CD PRO B 177 -1.554 12.102 -7.700 1.00 0.00 C ATOM 0 HA PRO B 177 0.132 9.430 -8.477 1.00 0.00 H new ATOM 0 HB2 PRO B 177 1.718 11.527 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO B 177 0.892 11.628 -9.118 1.00 0.00 H new ATOM 0 HG2 PRO B 177 0.062 12.765 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO B 177 0.020 13.527 -8.027 1.00 0.00 H new ATOM 0 HD2 PRO B 177 -2.221 12.475 -6.923 1.00 0.00 H new ATOM 0 HD3 PRO B 177 -1.964 12.429 -8.656 1.00 0.00 H new ATOM 1092 N PRO B 178 1.726 9.099 -6.414 1.00 0.00 N ATOM 1093 CA PRO B 178 2.339 8.514 -5.216 1.00 0.00 C ATOM 1094 C PRO B 178 2.692 9.592 -4.189 1.00 0.00 C ATOM 1095 O PRO B 178 2.825 10.753 -4.519 1.00 0.00 O ATOM 1096 CB PRO B 178 3.613 7.858 -5.748 1.00 0.00 C ATOM 1097 CG PRO B 178 3.933 8.616 -6.992 1.00 0.00 C ATOM 1098 CD PRO B 178 2.615 9.025 -7.586 1.00 0.00 C ATOM 0 HA PRO B 178 1.672 7.818 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO B 178 4.425 7.923 -5.024 1.00 0.00 H new ATOM 0 HB3 PRO B 178 3.457 6.800 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO B 178 4.547 9.489 -6.769 1.00 0.00 H new ATOM 0 HG3 PRO B 178 4.499 7.998 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO B 178 2.685 9.984 -8.099 1.00 0.00 H new ATOM 0 HD3 PRO B 178 2.259 8.298 -8.316 1.00 0.00 H new ATOM 1106 N LEU B 179 2.841 9.224 -2.947 1.00 0.00 N ATOM 1107 CA LEU B 179 3.181 10.234 -1.912 1.00 0.00 C ATOM 1108 C LEU B 179 4.687 10.219 -1.657 1.00 0.00 C ATOM 1109 O LEU B 179 5.419 9.422 -2.208 1.00 0.00 O ATOM 1110 CB LEU B 179 2.449 9.920 -0.603 1.00 0.00 C ATOM 1111 CG LEU B 179 1.487 8.746 -0.794 1.00 0.00 C ATOM 1112 CD1 LEU B 179 2.238 7.434 -0.571 1.00 0.00 C ATOM 1113 CD2 LEU B 179 0.354 8.854 0.225 1.00 0.00 C ATOM 0 H LEU B 179 2.742 8.268 -2.606 1.00 0.00 H new ATOM 0 HA LEU B 179 2.874 11.217 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU B 179 3.172 9.682 0.177 1.00 0.00 H new ATOM 0 HB3 LEU B 179 1.898 10.799 -0.268 1.00 0.00 H new ATOM 0 HG LEU B 179 1.079 8.768 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU B 179 1.554 6.596 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU B 179 3.055 7.356 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU B 179 2.641 7.413 0.441 1.00 0.00 H new ATOM 0 HD21 LEU B 179 -0.335 8.019 0.093 1.00 0.00 H new ATOM 0 HD22 LEU B 179 0.768 8.827 1.233 1.00 0.00 H new ATOM 0 HD23 LEU B 179 -0.180 9.792 0.077 1.00 0.00 H new ATOM 1125 N PRO B 180 5.139 11.129 -0.792 1.00 0.00 N ATOM 1126 CA PRO B 180 6.555 11.252 -0.427 1.00 0.00 C ATOM 1127 C PRO B 180 7.050 10.043 0.381 1.00 0.00 C ATOM 1128 O PRO B 180 6.348 9.062 0.533 1.00 0.00 O ATOM 1129 CB PRO B 180 6.601 12.540 0.398 1.00 0.00 C ATOM 1130 CG PRO B 180 5.214 12.712 0.920 1.00 0.00 C ATOM 1131 CD PRO B 180 4.292 12.111 -0.103 1.00 0.00 C ATOM 0 HA PRO B 180 7.209 11.283 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO B 180 7.322 12.462 1.211 1.00 0.00 H new ATOM 0 HB3 PRO B 180 6.901 13.391 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO B 180 5.099 12.216 1.884 1.00 0.00 H new ATOM 0 HG3 PRO B 180 4.986 13.767 1.075 1.00 0.00 H new ATOM 0 HD2 PRO B 180 3.428 11.638 0.364 1.00 0.00 H new ATOM 0 HD3 PRO B 180 3.910 12.865 -0.791 1.00 0.00 H new ATOM 1139 N PRO B 181 8.302 10.099 0.868 1.00 0.00 N ATOM 1140 CA PRO B 181 8.922 9.005 1.611 1.00 0.00 C ATOM 1141 C PRO B 181 8.757 9.105 3.132 1.00 0.00 C ATOM 1142 O PRO B 181 8.747 8.102 3.817 1.00 0.00 O ATOM 1143 CB PRO B 181 10.393 9.157 1.245 1.00 0.00 C ATOM 1144 CG PRO B 181 10.583 10.605 0.884 1.00 0.00 C ATOM 1145 CD PRO B 181 9.218 11.233 0.733 1.00 0.00 C ATOM 0 HA PRO B 181 8.468 8.047 1.356 1.00 0.00 H new ATOM 0 HB2 PRO B 181 11.034 8.876 2.081 1.00 0.00 H new ATOM 0 HB3 PRO B 181 10.656 8.509 0.409 1.00 0.00 H new ATOM 0 HG2 PRO B 181 11.155 11.118 1.657 1.00 0.00 H new ATOM 0 HG3 PRO B 181 11.148 10.695 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO B 181 9.037 11.988 1.498 1.00 0.00 H new ATOM 0 HD3 PRO B 181 9.107 11.725 -0.233 1.00 0.00 H new ATOM 1153 N ARG B 182 8.648 10.290 3.668 1.00 0.00 N ATOM 1154 CA ARG B 182 8.501 10.425 5.150 1.00 0.00 C ATOM 1155 C ARG B 182 9.879 10.398 5.814 1.00 0.00 C ATOM 1156 O ARG B 182 10.501 9.362 5.938 1.00 0.00 O ATOM 1157 CB ARG B 182 7.650 9.273 5.692 1.00 0.00 C ATOM 1158 CG ARG B 182 6.500 9.832 6.526 1.00 0.00 C ATOM 1159 CD ARG B 182 5.235 9.014 6.252 1.00 0.00 C ATOM 1160 NE ARG B 182 4.036 9.875 6.441 1.00 0.00 N ATOM 1161 CZ ARG B 182 2.840 9.353 6.387 1.00 0.00 C ATOM 1162 NH1 ARG B 182 2.689 8.099 6.053 1.00 0.00 N ATOM 1163 NH2 ARG B 182 1.798 10.083 6.667 1.00 0.00 N ATOM 0 H ARG B 182 8.654 11.168 3.149 1.00 0.00 H new ATOM 0 HA ARG B 182 8.012 11.373 5.374 1.00 0.00 H new ATOM 0 HB2 ARG B 182 7.258 8.678 4.867 1.00 0.00 H new ATOM 0 HB3 ARG B 182 8.264 8.609 6.300 1.00 0.00 H new ATOM 0 HG2 ARG B 182 6.751 9.792 7.586 1.00 0.00 H new ATOM 0 HG3 ARG B 182 6.331 10.880 6.278 1.00 0.00 H new ATOM 0 HD2 ARG B 182 5.257 8.621 5.236 1.00 0.00 H new ATOM 0 HD3 ARG B 182 5.190 8.157 6.925 1.00 0.00 H new ATOM 0 HE ARG B 182 4.148 10.874 6.613 1.00 0.00 H new ATOM 0 HH11 ARG B 182 3.505 7.528 5.834 1.00 0.00 H new ATOM 0 HH12 ARG B 182 1.755 7.691 6.011 1.00 0.00 H new ATOM 0 HH21 ARG B 182 1.916 11.062 6.928 1.00 0.00 H new ATOM 0 HH22 ARG B 182 0.864 9.676 6.625 1.00 0.00 H new ATOM 1177 N PRO B 183 10.354 11.573 6.253 1.00 0.00 N ATOM 1178 CA PRO B 183 11.657 11.712 6.917 1.00 0.00 C ATOM 1179 C PRO B 183 11.665 11.066 8.306 1.00 0.00 C ATOM 1180 O PRO B 183 10.847 11.377 9.149 1.00 0.00 O ATOM 1181 CB PRO B 183 11.832 13.225 7.047 1.00 0.00 C ATOM 1182 CG PRO B 183 10.446 13.770 7.030 1.00 0.00 C ATOM 1183 CD PRO B 183 9.653 12.862 6.133 1.00 0.00 C ATOM 0 HA PRO B 183 12.453 11.221 6.357 1.00 0.00 H new ATOM 0 HB2 PRO B 183 12.348 13.486 7.971 1.00 0.00 H new ATOM 0 HB3 PRO B 183 12.425 13.627 6.226 1.00 0.00 H new ATOM 0 HG2 PRO B 183 10.023 13.792 8.034 1.00 0.00 H new ATOM 0 HG3 PRO B 183 10.434 14.794 6.657 1.00 0.00 H new ATOM 0 HD2 PRO B 183 8.614 12.786 6.454 1.00 0.00 H new ATOM 0 HD3 PRO B 183 9.644 13.221 5.104 1.00 0.00 H new ATOM 1191 N ALA B 184 12.585 10.171 8.549 1.00 0.00 N ATOM 1192 CA ALA B 184 12.648 9.506 9.882 1.00 0.00 C ATOM 1193 C ALA B 184 11.233 9.191 10.364 1.00 0.00 C ATOM 1194 O ALA B 184 10.741 9.782 11.304 1.00 0.00 O ATOM 1195 CB ALA B 184 13.326 10.439 10.886 1.00 0.00 C ATOM 0 H ALA B 184 13.296 9.872 7.881 1.00 0.00 H new ATOM 0 HA ALA B 184 13.219 8.582 9.797 1.00 0.00 H new ATOM 0 HB1 ALA B 184 13.372 9.953 11.861 1.00 0.00 H new ATOM 0 HB2 ALA B 184 14.336 10.667 10.546 1.00 0.00 H new ATOM 0 HB3 ALA B 184 12.754 11.363 10.968 1.00 0.00 H new ATOM 1201 N ASN B 185 10.573 8.264 9.726 1.00 0.00 N ATOM 1202 CA ASN B 185 9.188 7.913 10.145 1.00 0.00 C ATOM 1203 C ASN B 185 8.415 9.190 10.462 1.00 0.00 C ATOM 1204 O ASN B 185 7.747 9.294 11.471 1.00 0.00 O ATOM 1205 CB ASN B 185 9.226 7.013 11.383 1.00 0.00 C ATOM 1206 CG ASN B 185 10.655 6.520 11.624 1.00 0.00 C ATOM 1207 OD1 ASN B 185 11.199 5.783 10.824 1.00 0.00 O ATOM 1208 ND2 ASN B 185 11.291 6.897 12.699 1.00 0.00 N ATOM 0 H ASN B 185 10.934 7.735 8.932 1.00 0.00 H new ATOM 0 HA ASN B 185 8.693 7.378 9.334 1.00 0.00 H new ATOM 0 HB2 ASN B 185 8.870 7.563 12.254 1.00 0.00 H new ATOM 0 HB3 ASN B 185 8.557 6.163 11.247 1.00 0.00 H new ATOM 0 HD21 ASN B 185 12.244 6.574 12.868 1.00 0.00 H new ATOM 0 HD22 ASN B 185 10.836 7.515 13.371 1.00 0.00 H new ATOM 1215 N LEU B 186 8.496 10.158 9.597 1.00 0.00 N ATOM 1216 CA LEU B 186 7.764 11.429 9.825 1.00 0.00 C ATOM 1217 C LEU B 186 6.281 11.121 10.008 1.00 0.00 C ATOM 1218 O LEU B 186 5.836 10.792 11.089 1.00 0.00 O ATOM 1219 CB LEU B 186 7.966 12.331 8.613 1.00 0.00 C ATOM 1220 CG LEU B 186 7.245 13.655 8.836 1.00 0.00 C ATOM 1221 CD1 LEU B 186 7.689 14.252 10.167 1.00 0.00 C ATOM 1222 CD2 LEU B 186 7.603 14.612 7.705 1.00 0.00 C ATOM 0 H LEU B 186 9.042 10.122 8.736 1.00 0.00 H new ATOM 0 HA LEU B 186 8.137 11.931 10.718 1.00 0.00 H new ATOM 0 HB2 LEU B 186 9.029 12.507 8.451 1.00 0.00 H new ATOM 0 HB3 LEU B 186 7.584 11.843 7.716 1.00 0.00 H new ATOM 0 HG LEU B 186 6.167 13.493 8.853 1.00 0.00 H new ATOM 0 HD11 LEU B 186 7.175 15.199 10.330 1.00 0.00 H new ATOM 0 HD12 LEU B 186 7.444 13.562 10.975 1.00 0.00 H new ATOM 0 HD13 LEU B 186 8.766 14.421 10.149 1.00 0.00 H new ATOM 0 HD21 LEU B 186 7.091 15.562 7.857 1.00 0.00 H new ATOM 0 HD22 LEU B 186 8.680 14.778 7.696 1.00 0.00 H new ATOM 0 HD23 LEU B 186 7.294 14.181 6.753 1.00 0.00 H new ATOM 1234 N GLY B 187 5.513 11.203 8.959 1.00 0.00 N ATOM 1235 CA GLY B 187 4.064 10.889 9.087 1.00 0.00 C ATOM 1236 C GLY B 187 3.901 9.371 9.107 1.00 0.00 C ATOM 1237 O GLY B 187 2.807 8.850 9.199 1.00 0.00 O ATOM 0 H GLY B 187 5.823 11.472 8.025 1.00 0.00 H new ATOM 0 HA2 GLY B 187 3.660 11.326 10.000 1.00 0.00 H new ATOM 0 HA3 GLY B 187 3.507 11.319 8.255 1.00 0.00 H new ATOM 1241 N GLU B 188 4.991 8.660 9.024 1.00 0.00 N ATOM 1242 CA GLU B 188 4.921 7.173 9.042 1.00 0.00 C ATOM 1243 C GLU B 188 4.511 6.700 10.436 1.00 0.00 C ATOM 1244 O GLU B 188 3.403 6.250 10.652 1.00 0.00 O ATOM 1245 CB GLU B 188 6.295 6.595 8.696 1.00 0.00 C ATOM 1246 CG GLU B 188 6.181 5.083 8.496 1.00 0.00 C ATOM 1247 CD GLU B 188 6.566 4.728 7.059 1.00 0.00 C ATOM 1248 OE1 GLU B 188 7.746 4.547 6.810 1.00 0.00 O ATOM 1249 OE2 GLU B 188 5.673 4.643 6.231 1.00 0.00 O ATOM 0 H GLU B 188 5.931 9.047 8.944 1.00 0.00 H new ATOM 0 HA GLU B 188 4.187 6.835 8.311 1.00 0.00 H new ATOM 0 HB2 GLU B 188 6.680 7.064 7.790 1.00 0.00 H new ATOM 0 HB3 GLU B 188 7.004 6.814 9.494 1.00 0.00 H new ATOM 0 HG2 GLU B 188 6.833 4.563 9.198 1.00 0.00 H new ATOM 0 HG3 GLU B 188 5.163 4.754 8.703 1.00 0.00 H new ATOM 1256 N ARG B 189 5.399 6.801 11.383 1.00 0.00 N ATOM 1257 CA ARG B 189 5.072 6.362 12.769 1.00 0.00 C ATOM 1258 C ARG B 189 6.170 6.836 13.722 1.00 0.00 C ATOM 1259 O ARG B 189 7.345 6.702 13.445 1.00 0.00 O ATOM 1260 CB ARG B 189 4.983 4.836 12.811 1.00 0.00 C ATOM 1261 CG ARG B 189 6.061 4.237 11.905 1.00 0.00 C ATOM 1262 CD ARG B 189 6.383 2.814 12.368 1.00 0.00 C ATOM 1263 NE ARG B 189 5.624 1.838 11.536 1.00 0.00 N ATOM 1264 CZ ARG B 189 4.772 1.025 12.099 1.00 0.00 C ATOM 1265 NH1 ARG B 189 3.490 1.236 11.977 1.00 0.00 N ATOM 1266 NH2 ARG B 189 5.203 0.000 12.785 1.00 0.00 N ATOM 0 H ARG B 189 6.342 7.170 11.258 1.00 0.00 H new ATOM 0 HA ARG B 189 4.116 6.790 13.073 1.00 0.00 H new ATOM 0 HB2 ARG B 189 5.114 4.481 13.833 1.00 0.00 H new ATOM 0 HB3 ARG B 189 3.996 4.509 12.484 1.00 0.00 H new ATOM 0 HG2 ARG B 189 5.717 4.225 10.871 1.00 0.00 H new ATOM 0 HG3 ARG B 189 6.960 4.853 11.935 1.00 0.00 H new ATOM 0 HD2 ARG B 189 7.453 2.626 12.283 1.00 0.00 H new ATOM 0 HD3 ARG B 189 6.121 2.694 13.419 1.00 0.00 H new ATOM 0 HE ARG B 189 5.770 1.805 10.527 1.00 0.00 H new ATOM 0 HH11 ARG B 189 3.154 2.036 11.442 1.00 0.00 H new ATOM 0 HH12 ARG B 189 2.824 0.601 12.417 1.00 0.00 H new ATOM 0 HH21 ARG B 189 6.205 -0.165 12.881 1.00 0.00 H new ATOM 0 HH22 ARG B 189 4.537 -0.635 13.225 1.00 0.00 H new ATOM 1280 N GLN B 190 5.797 7.390 14.843 1.00 0.00 N ATOM 1281 CA GLN B 190 6.823 7.873 15.811 1.00 0.00 C ATOM 1282 C GLN B 190 6.496 7.343 17.209 1.00 0.00 C ATOM 1283 O GLN B 190 5.478 6.716 17.423 1.00 0.00 O ATOM 1284 CB GLN B 190 6.825 9.403 15.834 1.00 0.00 C ATOM 1285 CG GLN B 190 5.392 9.917 15.668 1.00 0.00 C ATOM 1286 CD GLN B 190 5.407 11.443 15.568 1.00 0.00 C ATOM 1287 OE1 GLN B 190 5.028 12.001 14.557 1.00 0.00 O ATOM 1288 NE2 GLN B 190 5.832 12.147 16.582 1.00 0.00 N ATOM 0 H GLN B 190 4.828 7.529 15.130 1.00 0.00 H new ATOM 0 HA GLN B 190 7.806 7.513 15.506 1.00 0.00 H new ATOM 0 HB2 GLN B 190 7.245 9.763 16.773 1.00 0.00 H new ATOM 0 HB3 GLN B 190 7.456 9.789 15.034 1.00 0.00 H new ATOM 0 HG2 GLN B 190 4.941 9.488 14.773 1.00 0.00 H new ATOM 0 HG3 GLN B 190 4.781 9.603 16.514 1.00 0.00 H new ATOM 0 HE21 GLN B 190 6.150 11.679 17.430 1.00 0.00 H new ATOM 0 HE22 GLN B 190 5.846 13.165 16.526 1.00 0.00 H new ATOM 1297 N ALA B 191 7.352 7.590 18.162 1.00 0.00 N ATOM 1298 CA ALA B 191 7.091 7.100 19.545 1.00 0.00 C ATOM 1299 C ALA B 191 6.939 5.578 19.528 1.00 0.00 C ATOM 1300 O ALA B 191 6.864 5.022 18.445 1.00 0.00 O ATOM 1301 CB ALA B 191 5.804 7.735 20.077 1.00 0.00 C ATOM 1302 OXT ALA B 191 6.902 4.994 20.598 1.00 0.00 O ATOM 0 H ALA B 191 8.221 8.110 18.043 1.00 0.00 H new ATOM 0 HA ALA B 191 7.926 7.374 20.190 1.00 0.00 H new ATOM 0 HB1 ALA B 191 5.613 7.377 21.089 1.00 0.00 H new ATOM 0 HB2 ALA B 191 5.912 8.820 20.090 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.969 7.461 19.431 1.00 0.00 H new TER 1308 ALA B 191