USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -2.23 X(o=-2.2,f=-2.7) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 22:sc= 1.7 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.57) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 36 GLN : amide:sc= -3.17! C(o=-3.2!,f=-1.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0.203 (180deg=0.196) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 45 SER OG : rot -137:sc= -3.75! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= -6.5! C(o=-6.5!,f=-6!) USER MOD Single : A 61 LYS NZ :NH3+ 142:sc= -0.367 (180deg=-2!) USER MOD Single : A 63 ASN : amide:sc= 0.132 K(o=0.13,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.378 7.193 14.886 1.00 0.00 N ATOM 2 CA GLY A 1 -9.132 7.414 14.100 1.00 0.00 C ATOM 3 C GLY A 1 -8.135 8.217 14.938 1.00 0.00 C ATOM 4 O GLY A 1 -8.189 9.429 14.991 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.056 6.647 14.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.152 6.666 15.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.797 8.111 15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.695 6.457 13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.361 7.948 13.178 1.00 0.00 H new ATOM 10 N SER A 2 -7.223 7.550 15.592 1.00 0.00 N ATOM 11 CA SER A 2 -6.222 8.277 16.425 1.00 0.00 C ATOM 12 C SER A 2 -4.802 7.895 15.997 1.00 0.00 C ATOM 13 O SER A 2 -4.573 6.810 15.502 1.00 0.00 O ATOM 14 CB SER A 2 -6.491 7.818 17.858 1.00 0.00 C ATOM 15 OG SER A 2 -7.735 8.343 18.297 1.00 0.00 O ATOM 0 H SER A 2 -7.128 6.534 15.586 1.00 0.00 H new ATOM 0 HA SER A 2 -6.305 9.359 16.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.506 6.729 17.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.690 8.155 18.516 1.00 0.00 H new ATOM 0 HG SER A 2 -7.909 8.048 19.215 1.00 0.00 H new ATOM 21 N PRO A 3 -3.894 8.810 16.204 1.00 0.00 N ATOM 22 CA PRO A 3 -2.486 8.530 15.820 1.00 0.00 C ATOM 23 C PRO A 3 -1.991 7.250 16.499 1.00 0.00 C ATOM 24 O PRO A 3 -1.040 6.632 16.061 1.00 0.00 O ATOM 25 CB PRO A 3 -1.715 9.744 16.328 1.00 0.00 C ATOM 26 CG PRO A 3 -2.551 10.284 17.442 1.00 0.00 C ATOM 27 CD PRO A 3 -3.982 9.977 17.096 1.00 0.00 C ATOM 0 HA PRO A 3 -2.363 8.376 14.748 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.721 9.464 16.678 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.578 10.485 15.540 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.275 9.824 18.391 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.401 11.358 17.553 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.568 9.754 17.987 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.462 10.821 16.601 1.00 0.00 H new ATOM 35 N LEU A 4 -2.626 6.847 17.565 1.00 0.00 N ATOM 36 CA LEU A 4 -2.188 5.607 18.269 1.00 0.00 C ATOM 37 C LEU A 4 -2.999 4.405 17.777 1.00 0.00 C ATOM 38 O LEU A 4 -4.200 4.478 17.612 1.00 0.00 O ATOM 39 CB LEU A 4 -2.467 5.872 19.748 1.00 0.00 C ATOM 40 CG LEU A 4 -1.285 6.626 20.361 1.00 0.00 C ATOM 41 CD1 LEU A 4 -1.420 8.120 20.057 1.00 0.00 C ATOM 42 CD2 LEU A 4 -1.275 6.414 21.877 1.00 0.00 C ATOM 0 H LEU A 4 -3.428 7.321 17.979 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.138 5.378 18.087 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.381 6.455 19.858 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.624 4.930 20.274 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.355 6.250 19.935 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.578 8.658 20.493 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.428 8.272 18.978 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.350 8.495 20.483 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.433 6.951 22.314 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.205 6.789 22.303 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.179 5.350 22.095 1.00 0.00 H new ATOM 54 N GLN A 5 -2.349 3.297 17.543 1.00 0.00 N ATOM 55 CA GLN A 5 -3.081 2.090 17.062 1.00 0.00 C ATOM 56 C GLN A 5 -3.214 1.069 18.196 1.00 0.00 C ATOM 57 O GLN A 5 -2.361 0.967 19.055 1.00 0.00 O ATOM 58 CB GLN A 5 -2.220 1.526 15.932 1.00 0.00 C ATOM 59 CG GLN A 5 -2.176 2.526 14.775 1.00 0.00 C ATOM 60 CD GLN A 5 -1.275 1.982 13.665 1.00 0.00 C ATOM 61 OE1 GLN A 5 -0.538 1.039 13.873 1.00 0.00 O ATOM 62 NE2 GLN A 5 -1.302 2.541 12.486 1.00 0.00 N ATOM 0 H GLN A 5 -1.344 3.175 17.664 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.090 2.326 16.724 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.211 1.328 16.294 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.628 0.575 15.589 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.181 2.698 14.390 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.800 3.487 15.125 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.921 3.333 12.311 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.704 2.186 11.739 1.00 0.00 H new ATOM 71 N ASP A 6 -4.275 0.310 18.201 1.00 0.00 N ATOM 72 CA ASP A 6 -4.460 -0.706 19.278 1.00 0.00 C ATOM 73 C ASP A 6 -4.166 -2.107 18.735 1.00 0.00 C ATOM 74 O ASP A 6 -4.443 -3.102 19.376 1.00 0.00 O ATOM 75 CB ASP A 6 -5.928 -0.585 19.688 1.00 0.00 C ATOM 76 CG ASP A 6 -6.163 0.773 20.353 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.187 1.407 20.722 1.00 0.00 O ATOM 78 OD2 ASP A 6 -7.313 1.157 20.482 1.00 0.00 O ATOM 0 H ASP A 6 -5.022 0.348 17.507 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.788 -0.544 20.121 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.570 -0.689 18.814 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.192 -1.389 20.375 1.00 0.00 H new ATOM 83 N ASN A 7 -3.606 -2.192 17.559 1.00 0.00 N ATOM 84 CA ASN A 7 -3.293 -3.528 16.976 1.00 0.00 C ATOM 85 C ASN A 7 -1.918 -4.002 17.451 1.00 0.00 C ATOM 86 O ASN A 7 -1.423 -5.028 17.028 1.00 0.00 O ATOM 87 CB ASN A 7 -3.292 -3.309 15.463 1.00 0.00 C ATOM 88 CG ASN A 7 -4.719 -3.030 14.986 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.964 -2.055 14.305 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.677 -3.851 15.317 1.00 0.00 N ATOM 0 H ASN A 7 -3.352 -1.394 16.977 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.013 -4.289 17.277 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.642 -2.473 15.206 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.894 -4.189 14.958 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.631 -3.674 15.004 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.472 -4.670 15.889 1.00 0.00 H new ATOM 97 N LEU A 8 -1.296 -3.262 18.327 1.00 0.00 N ATOM 98 CA LEU A 8 0.047 -3.669 18.830 1.00 0.00 C ATOM 99 C LEU A 8 -0.098 -4.676 19.974 1.00 0.00 C ATOM 100 O LEU A 8 -0.921 -4.515 20.853 1.00 0.00 O ATOM 101 CB LEU A 8 0.689 -2.375 19.330 1.00 0.00 C ATOM 102 CG LEU A 8 0.944 -1.441 18.144 1.00 0.00 C ATOM 103 CD1 LEU A 8 -0.361 -0.742 17.758 1.00 0.00 C ATOM 104 CD2 LEU A 8 1.989 -0.394 18.535 1.00 0.00 C ATOM 0 H LEU A 8 -1.660 -2.392 18.717 1.00 0.00 H new ATOM 0 HA LEU A 8 0.649 -4.152 18.060 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.036 -1.889 20.055 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.626 -2.595 19.841 1.00 0.00 H new ATOM 0 HG LEU A 8 1.311 -2.020 17.296 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.181 -0.076 16.914 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.105 -1.488 17.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.728 -0.162 18.605 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.171 0.271 17.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.623 0.186 19.382 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.918 -0.893 18.811 1.00 0.00 H new ATOM 116 N VAL A 9 0.695 -5.713 19.970 1.00 0.00 N ATOM 117 CA VAL A 9 0.599 -6.728 21.059 1.00 0.00 C ATOM 118 C VAL A 9 1.996 -7.207 21.463 1.00 0.00 C ATOM 119 O VAL A 9 2.963 -7.004 20.757 1.00 0.00 O ATOM 120 CB VAL A 9 -0.202 -7.883 20.457 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.563 -7.371 19.985 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.563 -8.467 19.267 1.00 0.00 C ATOM 0 H VAL A 9 1.404 -5.901 19.261 1.00 0.00 H new ATOM 0 HA VAL A 9 0.127 -6.324 21.955 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.347 -8.656 21.212 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.133 -8.195 19.556 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.109 -6.954 20.832 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.419 -6.598 19.230 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.007 -9.291 18.837 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.708 -7.693 18.513 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.533 -8.833 19.603 1.00 0.00 H new ATOM 132 N ILE A 10 2.104 -7.847 22.595 1.00 0.00 N ATOM 133 CA ILE A 10 3.433 -8.348 23.046 1.00 0.00 C ATOM 134 C ILE A 10 3.468 -9.875 22.955 1.00 0.00 C ATOM 135 O ILE A 10 2.499 -10.544 23.256 1.00 0.00 O ATOM 136 CB ILE A 10 3.557 -7.891 24.499 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.192 -6.409 24.602 1.00 0.00 C ATOM 138 CG2 ILE A 10 4.997 -8.095 24.977 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.034 -5.606 23.608 1.00 0.00 C ATOM 0 H ILE A 10 1.329 -8.045 23.228 1.00 0.00 H new ATOM 0 HA ILE A 10 4.252 -7.971 22.434 1.00 0.00 H new ATOM 0 HB ILE A 10 2.880 -8.476 25.122 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.131 -6.269 24.393 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.367 -6.050 25.616 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.086 -7.769 26.013 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.258 -9.151 24.905 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.674 -7.510 24.354 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.774 -4.550 23.681 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.091 -5.736 23.838 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.837 -5.959 22.596 1.00 0.00 H new ATOM 151 N ALA A 11 4.571 -10.433 22.540 1.00 0.00 N ATOM 152 CA ALA A 11 4.655 -11.916 22.430 1.00 0.00 C ATOM 153 C ALA A 11 4.915 -12.537 23.805 1.00 0.00 C ATOM 154 O ALA A 11 6.003 -12.453 24.334 1.00 0.00 O ATOM 155 CB ALA A 11 5.833 -12.177 21.493 1.00 0.00 C ATOM 0 H ALA A 11 5.416 -9.928 22.273 1.00 0.00 H new ATOM 0 HA ALA A 11 3.730 -12.354 22.055 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.961 -13.251 21.360 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.639 -11.712 20.526 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.741 -11.754 21.923 1.00 0.00 H new ATOM 161 N LEU A 12 3.932 -13.170 24.383 1.00 0.00 N ATOM 162 CA LEU A 12 4.144 -13.802 25.715 1.00 0.00 C ATOM 163 C LEU A 12 5.115 -14.974 25.566 1.00 0.00 C ATOM 164 O LEU A 12 5.769 -15.381 26.505 1.00 0.00 O ATOM 165 CB LEU A 12 2.763 -14.296 26.148 1.00 0.00 C ATOM 166 CG LEU A 12 2.003 -13.152 26.822 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.503 -12.175 25.756 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.811 -13.718 27.596 1.00 0.00 C ATOM 0 H LEU A 12 2.996 -13.277 23.993 1.00 0.00 H new ATOM 0 HA LEU A 12 4.568 -13.115 26.447 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.206 -14.658 25.283 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.864 -15.135 26.836 1.00 0.00 H new ATOM 0 HG LEU A 12 2.667 -12.630 27.510 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.961 -11.360 26.235 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.353 -11.772 25.205 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.838 -12.697 25.067 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.269 -12.903 28.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.146 -14.241 26.909 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.168 -14.414 28.355 1.00 0.00 H new ATOM 180 N HIS A 13 5.211 -15.512 24.381 1.00 0.00 N ATOM 181 CA HIS A 13 6.136 -16.654 24.144 1.00 0.00 C ATOM 182 C HIS A 13 6.568 -16.668 22.675 1.00 0.00 C ATOM 183 O HIS A 13 5.810 -16.311 21.796 1.00 0.00 O ATOM 184 CB HIS A 13 5.313 -17.899 24.473 1.00 0.00 C ATOM 185 CG HIS A 13 5.052 -17.952 25.953 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.072 -18.110 26.879 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.893 -17.870 26.683 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.511 -18.116 28.102 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.185 -17.974 28.040 1.00 0.00 N ATOM 0 H HIS A 13 4.685 -15.207 23.562 1.00 0.00 H new ATOM 0 HA HIS A 13 7.042 -16.596 24.748 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.370 -17.879 23.927 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.846 -18.795 24.155 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.904 -17.744 26.268 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.066 -18.223 29.022 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.527 -17.947 28.819 1.00 0.00 H new ATOM 197 N SER A 14 7.774 -17.080 22.397 1.00 0.00 N ATOM 198 CA SER A 14 8.236 -17.112 20.980 1.00 0.00 C ATOM 199 C SER A 14 7.379 -18.095 20.177 1.00 0.00 C ATOM 200 O SER A 14 6.921 -19.094 20.693 1.00 0.00 O ATOM 201 CB SER A 14 9.686 -17.591 21.046 1.00 0.00 C ATOM 202 OG SER A 14 9.715 -18.978 21.345 1.00 0.00 O ATOM 0 H SER A 14 8.457 -17.395 23.086 1.00 0.00 H new ATOM 0 HA SER A 14 8.154 -16.141 20.492 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.186 -17.403 20.096 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.230 -17.033 21.808 1.00 0.00 H new ATOM 0 HG SER A 14 10.645 -19.285 21.385 1.00 0.00 H new ATOM 208 N TYR A 15 7.157 -17.822 18.919 1.00 0.00 N ATOM 209 CA TYR A 15 6.325 -18.751 18.101 1.00 0.00 C ATOM 210 C TYR A 15 7.218 -19.672 17.266 1.00 0.00 C ATOM 211 O TYR A 15 8.382 -19.399 17.051 1.00 0.00 O ATOM 212 CB TYR A 15 5.493 -17.843 17.196 1.00 0.00 C ATOM 213 CG TYR A 15 4.589 -18.692 16.333 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.699 -19.595 16.926 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.644 -18.575 14.941 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.864 -20.382 16.124 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.809 -19.361 14.138 1.00 0.00 C ATOM 218 CZ TYR A 15 2.919 -20.264 14.730 1.00 0.00 C ATOM 219 OH TYR A 15 2.095 -21.040 13.939 1.00 0.00 O ATOM 0 H TYR A 15 7.512 -17.003 18.426 1.00 0.00 H new ATOM 0 HA TYR A 15 5.700 -19.396 18.718 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.899 -17.155 17.798 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.147 -17.236 16.570 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.656 -19.685 18.001 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.331 -17.878 14.485 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.178 -21.080 16.580 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.852 -19.270 13.063 1.00 0.00 H new ATOM 0 HH TYR A 15 1.322 -21.337 14.464 1.00 0.00 H new ATOM 229 N GLU A 16 6.680 -20.764 16.796 1.00 0.00 N ATOM 230 CA GLU A 16 7.495 -21.704 15.973 1.00 0.00 C ATOM 231 C GLU A 16 6.891 -21.839 14.574 1.00 0.00 C ATOM 232 O GLU A 16 6.125 -22.745 14.310 1.00 0.00 O ATOM 233 CB GLU A 16 7.431 -23.039 16.717 1.00 0.00 C ATOM 234 CG GLU A 16 5.973 -23.490 16.831 1.00 0.00 C ATOM 235 CD GLU A 16 5.785 -24.803 16.069 1.00 0.00 C ATOM 236 OE1 GLU A 16 6.658 -25.650 16.161 1.00 0.00 O ATOM 237 OE2 GLU A 16 4.769 -24.941 15.406 1.00 0.00 O ATOM 0 H GLU A 16 5.711 -21.047 16.946 1.00 0.00 H new ATOM 0 HA GLU A 16 8.521 -21.359 15.844 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.015 -23.791 16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.870 -22.936 17.710 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.703 -23.623 17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.311 -22.724 16.426 1.00 0.00 H new ATOM 244 N PRO A 17 7.262 -20.924 13.720 1.00 0.00 N ATOM 245 CA PRO A 17 6.729 -20.966 12.334 1.00 0.00 C ATOM 246 C PRO A 17 6.769 -22.395 11.786 1.00 0.00 C ATOM 247 O PRO A 17 7.777 -22.849 11.283 1.00 0.00 O ATOM 248 CB PRO A 17 7.672 -20.062 11.548 1.00 0.00 C ATOM 249 CG PRO A 17 8.948 -20.079 12.321 1.00 0.00 C ATOM 250 CD PRO A 17 8.577 -20.268 13.766 1.00 0.00 C ATOM 0 HA PRO A 17 5.690 -20.643 12.272 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.819 -20.431 10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.273 -19.051 11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.596 -20.886 11.979 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.497 -19.148 12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.310 -20.883 14.288 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.528 -19.315 14.292 1.00 0.00 H new ATOM 258 N SER A 18 5.678 -23.105 11.875 1.00 0.00 N ATOM 259 CA SER A 18 5.655 -24.502 11.354 1.00 0.00 C ATOM 260 C SER A 18 5.390 -24.493 9.846 1.00 0.00 C ATOM 261 O SER A 18 5.258 -25.527 9.222 1.00 0.00 O ATOM 262 CB SER A 18 4.507 -25.185 12.099 1.00 0.00 C ATOM 263 OG SER A 18 3.270 -24.803 11.515 1.00 0.00 O ATOM 0 H SER A 18 4.803 -22.779 12.285 1.00 0.00 H new ATOM 0 HA SER A 18 6.602 -25.019 11.509 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.623 -26.268 12.054 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.526 -24.906 13.152 1.00 0.00 H new ATOM 0 HG SER A 18 2.534 -25.242 11.991 1.00 0.00 H new ATOM 269 N HIS A 19 5.310 -23.330 9.258 1.00 0.00 N ATOM 270 CA HIS A 19 5.052 -23.249 7.792 1.00 0.00 C ATOM 271 C HIS A 19 5.743 -22.016 7.203 1.00 0.00 C ATOM 272 O HIS A 19 6.187 -21.141 7.919 1.00 0.00 O ATOM 273 CB HIS A 19 3.535 -23.124 7.663 1.00 0.00 C ATOM 274 CG HIS A 19 3.152 -23.122 6.209 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.335 -24.229 5.394 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.596 -22.156 5.407 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.896 -23.905 4.165 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.436 -22.652 4.117 1.00 0.00 N ATOM 0 H HIS A 19 5.412 -22.432 9.730 1.00 0.00 H new ATOM 0 HA HIS A 19 5.436 -24.117 7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.047 -23.952 8.177 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.193 -22.206 8.141 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.324 -21.162 5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.913 -24.576 3.319 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.050 -22.164 3.309 1.00 0.00 H new ATOM 286 N ASP A 20 5.837 -21.939 5.904 1.00 0.00 N ATOM 287 CA ASP A 20 6.499 -20.761 5.274 1.00 0.00 C ATOM 288 C ASP A 20 5.568 -19.545 5.321 1.00 0.00 C ATOM 289 O ASP A 20 4.412 -19.623 4.953 1.00 0.00 O ATOM 290 CB ASP A 20 6.761 -21.181 3.828 1.00 0.00 C ATOM 291 CG ASP A 20 7.645 -22.429 3.813 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.268 -22.703 4.826 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.685 -23.091 2.788 1.00 0.00 O ATOM 0 H ASP A 20 5.485 -22.640 5.252 1.00 0.00 H new ATOM 0 HA ASP A 20 7.417 -20.478 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.818 -21.384 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.248 -20.371 3.285 1.00 0.00 H new ATOM 298 N GLY A 21 6.063 -18.424 5.769 1.00 0.00 N ATOM 299 CA GLY A 21 5.206 -17.208 5.838 1.00 0.00 C ATOM 300 C GLY A 21 4.801 -16.950 7.291 1.00 0.00 C ATOM 301 O GLY A 21 3.891 -16.194 7.567 1.00 0.00 O ATOM 0 H GLY A 21 7.023 -18.298 6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.745 -16.348 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.318 -17.341 5.220 1.00 0.00 H new ATOM 305 N ASP A 22 5.468 -17.575 8.223 1.00 0.00 N ATOM 306 CA ASP A 22 5.117 -17.366 9.657 1.00 0.00 C ATOM 307 C ASP A 22 6.239 -16.613 10.378 1.00 0.00 C ATOM 308 O ASP A 22 7.364 -16.564 9.920 1.00 0.00 O ATOM 309 CB ASP A 22 4.958 -18.773 10.234 1.00 0.00 C ATOM 310 CG ASP A 22 3.948 -19.556 9.393 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.242 -18.932 8.618 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.898 -20.766 9.539 1.00 0.00 O ATOM 0 H ASP A 22 6.240 -18.220 8.054 1.00 0.00 H new ATOM 0 HA ASP A 22 4.212 -16.770 9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.919 -19.287 10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.621 -18.718 11.269 1.00 0.00 H new ATOM 317 N LEU A 23 5.940 -16.027 11.506 1.00 0.00 N ATOM 318 CA LEU A 23 6.984 -15.277 12.263 1.00 0.00 C ATOM 319 C LEU A 23 7.228 -15.951 13.617 1.00 0.00 C ATOM 320 O LEU A 23 6.334 -16.072 14.429 1.00 0.00 O ATOM 321 CB LEU A 23 6.401 -13.877 12.453 1.00 0.00 C ATOM 322 CG LEU A 23 7.523 -12.897 12.800 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.639 -13.007 11.758 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.970 -11.470 12.806 1.00 0.00 C ATOM 0 H LEU A 23 5.016 -16.035 11.937 1.00 0.00 H new ATOM 0 HA LEU A 23 7.942 -15.249 11.743 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.893 -13.557 11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.655 -13.887 13.248 1.00 0.00 H new ATOM 0 HG LEU A 23 7.922 -13.137 13.786 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.438 -12.308 12.006 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.034 -14.023 11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.241 -12.768 10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.769 -10.771 13.053 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.570 -11.230 11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.176 -11.391 13.549 1.00 0.00 H new ATOM 336 N GLY A 24 8.432 -16.388 13.866 1.00 0.00 N ATOM 337 CA GLY A 24 8.726 -17.057 15.167 1.00 0.00 C ATOM 338 C GLY A 24 9.353 -16.054 16.137 1.00 0.00 C ATOM 339 O GLY A 24 10.383 -16.308 16.729 1.00 0.00 O ATOM 0 H GLY A 24 9.224 -16.312 13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.808 -17.463 15.593 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.403 -17.896 15.010 1.00 0.00 H new ATOM 343 N PHE A 25 8.742 -14.914 16.302 1.00 0.00 N ATOM 344 CA PHE A 25 9.294 -13.883 17.229 1.00 0.00 C ATOM 345 C PHE A 25 9.650 -14.494 18.588 1.00 0.00 C ATOM 346 O PHE A 25 9.349 -15.637 18.866 1.00 0.00 O ATOM 347 CB PHE A 25 8.161 -12.866 17.387 1.00 0.00 C ATOM 348 CG PHE A 25 6.882 -13.590 17.748 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.606 -13.900 19.086 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.974 -13.956 16.745 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.424 -14.575 19.419 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.794 -14.631 17.079 1.00 0.00 C ATOM 353 CZ PHE A 25 4.519 -14.941 18.415 1.00 0.00 C ATOM 0 H PHE A 25 7.877 -14.649 15.831 1.00 0.00 H new ATOM 0 HA PHE A 25 10.211 -13.438 16.843 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.413 -12.142 18.162 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.027 -12.308 16.460 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.304 -13.619 19.861 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.185 -13.717 15.713 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.211 -14.813 20.451 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.096 -14.913 16.305 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.609 -15.463 18.672 1.00 0.00 H new ATOM 363 N GLU A 26 10.285 -13.728 19.436 1.00 0.00 N ATOM 364 CA GLU A 26 10.660 -14.246 20.783 1.00 0.00 C ATOM 365 C GLU A 26 9.698 -13.700 21.843 1.00 0.00 C ATOM 366 O GLU A 26 8.865 -12.856 21.566 1.00 0.00 O ATOM 367 CB GLU A 26 12.078 -13.725 21.026 1.00 0.00 C ATOM 368 CG GLU A 26 12.968 -14.097 19.839 1.00 0.00 C ATOM 369 CD GLU A 26 14.357 -13.484 20.031 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.488 -12.616 20.878 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.265 -13.893 19.328 1.00 0.00 O ATOM 0 H GLU A 26 10.560 -12.763 19.252 1.00 0.00 H new ATOM 0 HA GLU A 26 10.611 -15.334 20.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.062 -12.643 21.157 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.481 -14.152 21.944 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.046 -15.181 19.755 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.525 -13.736 18.911 1.00 0.00 H new ATOM 378 N LYS A 27 9.811 -14.163 23.057 1.00 0.00 N ATOM 379 CA LYS A 27 8.904 -13.663 24.128 1.00 0.00 C ATOM 380 C LYS A 27 9.247 -12.214 24.475 1.00 0.00 C ATOM 381 O LYS A 27 10.400 -11.849 24.596 1.00 0.00 O ATOM 382 CB LYS A 27 9.161 -14.579 25.326 1.00 0.00 C ATOM 383 CG LYS A 27 10.555 -14.302 25.892 1.00 0.00 C ATOM 384 CD LYS A 27 10.873 -15.323 26.985 1.00 0.00 C ATOM 385 CE LYS A 27 12.059 -14.828 27.815 1.00 0.00 C ATOM 386 NZ LYS A 27 13.103 -15.881 27.654 1.00 0.00 N ATOM 0 H LYS A 27 10.490 -14.864 23.353 1.00 0.00 H new ATOM 0 HA LYS A 27 7.857 -13.677 23.824 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.406 -14.412 26.094 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.081 -15.623 25.023 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.300 -14.359 25.098 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.600 -13.292 26.299 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.003 -15.469 27.625 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.106 -16.289 26.538 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.414 -13.861 27.459 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.784 -14.701 28.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.951 -15.615 28.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.738 -16.789 28.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.349 -15.975 26.648 1.00 0.00 H new ATOM 400 N GLY A 28 8.253 -11.386 24.636 1.00 0.00 N ATOM 401 CA GLY A 28 8.519 -9.963 24.975 1.00 0.00 C ATOM 402 C GLY A 28 8.685 -9.154 23.688 1.00 0.00 C ATOM 403 O GLY A 28 8.727 -7.940 23.712 1.00 0.00 O ATOM 0 H GLY A 28 7.268 -11.635 24.547 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.698 -9.560 25.567 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.419 -9.886 25.584 1.00 0.00 H new ATOM 407 N GLU A 29 8.781 -9.810 22.561 1.00 0.00 N ATOM 408 CA GLU A 29 8.946 -9.055 21.285 1.00 0.00 C ATOM 409 C GLU A 29 7.627 -8.384 20.896 1.00 0.00 C ATOM 410 O GLU A 29 6.591 -9.015 20.840 1.00 0.00 O ATOM 411 CB GLU A 29 9.344 -10.098 20.242 1.00 0.00 C ATOM 412 CG GLU A 29 9.815 -9.385 18.972 1.00 0.00 C ATOM 413 CD GLU A 29 10.178 -10.421 17.906 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.424 -11.557 18.271 1.00 0.00 O ATOM 415 OE2 GLU A 29 10.202 -10.059 16.741 1.00 0.00 O ATOM 0 H GLU A 29 8.753 -10.825 22.469 1.00 0.00 H new ATOM 0 HA GLU A 29 9.694 -8.267 21.371 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.138 -10.735 20.632 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.497 -10.746 20.017 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.030 -8.726 18.601 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.679 -8.759 19.194 1.00 0.00 H new ATOM 422 N GLN A 30 7.657 -7.108 20.625 1.00 0.00 N ATOM 423 CA GLN A 30 6.403 -6.401 20.238 1.00 0.00 C ATOM 424 C GLN A 30 6.088 -6.672 18.766 1.00 0.00 C ATOM 425 O GLN A 30 6.971 -6.730 17.933 1.00 0.00 O ATOM 426 CB GLN A 30 6.699 -4.917 20.459 1.00 0.00 C ATOM 427 CG GLN A 30 5.427 -4.102 20.207 1.00 0.00 C ATOM 428 CD GLN A 30 5.772 -2.613 20.186 1.00 0.00 C ATOM 429 OE1 GLN A 30 6.500 -2.157 19.327 1.00 0.00 O ATOM 430 NE2 GLN A 30 5.275 -1.828 21.103 1.00 0.00 N ATOM 0 H GLN A 30 8.494 -6.525 20.655 1.00 0.00 H new ATOM 0 HA GLN A 30 5.542 -6.732 20.818 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.054 -4.753 21.477 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.493 -4.589 19.788 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.976 -4.395 19.259 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.692 -4.305 20.986 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.664 -2.210 21.825 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.498 -0.833 21.098 1.00 0.00 H new ATOM 439 N LEU A 31 4.839 -6.844 18.439 1.00 0.00 N ATOM 440 CA LEU A 31 4.477 -7.118 17.019 1.00 0.00 C ATOM 441 C LEU A 31 3.193 -6.376 16.640 1.00 0.00 C ATOM 442 O LEU A 31 2.430 -5.958 17.489 1.00 0.00 O ATOM 443 CB LEU A 31 4.261 -8.630 16.948 1.00 0.00 C ATOM 444 CG LEU A 31 5.387 -9.347 17.697 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.066 -10.839 17.795 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.702 -9.158 16.939 1.00 0.00 C ATOM 0 H LEU A 31 4.054 -6.807 19.090 1.00 0.00 H new ATOM 0 HA LEU A 31 5.250 -6.782 16.328 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.297 -8.890 17.385 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.238 -8.955 15.908 1.00 0.00 H new ATOM 0 HG LEU A 31 5.480 -8.929 18.699 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.868 -11.349 18.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.128 -10.975 18.334 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.973 -11.258 16.793 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.505 -9.668 17.471 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.608 -9.576 15.937 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.932 -8.095 16.868 1.00 0.00 H new ATOM 458 N ARG A 32 2.947 -6.220 15.369 1.00 0.00 N ATOM 459 CA ARG A 32 1.709 -5.517 14.926 1.00 0.00 C ATOM 460 C ARG A 32 0.685 -6.542 14.431 1.00 0.00 C ATOM 461 O ARG A 32 0.995 -7.397 13.630 1.00 0.00 O ATOM 462 CB ARG A 32 2.162 -4.604 13.783 1.00 0.00 C ATOM 463 CG ARG A 32 0.952 -4.192 12.942 1.00 0.00 C ATOM 464 CD ARG A 32 -0.041 -3.426 13.818 1.00 0.00 C ATOM 465 NE ARG A 32 -1.176 -3.099 12.910 1.00 0.00 N ATOM 466 CZ ARG A 32 -0.967 -2.395 11.831 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.078 -1.618 11.751 1.00 0.00 N ATOM 468 NH2 ARG A 32 -1.803 -2.469 10.831 1.00 0.00 N ATOM 0 H ARG A 32 3.551 -6.549 14.616 1.00 0.00 H new ATOM 0 HA ARG A 32 1.234 -4.952 15.728 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.656 -3.719 14.185 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.892 -5.121 13.159 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.272 -3.569 12.106 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.473 -5.074 12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.372 -4.031 14.663 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.409 -2.523 14.229 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.117 -3.425 13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.732 -1.561 12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.241 -1.068 10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.620 -3.077 10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.640 -1.919 9.988 1.00 0.00 H new ATOM 482 N ILE A 33 -0.530 -6.468 14.905 1.00 0.00 N ATOM 483 CA ILE A 33 -1.563 -7.449 14.457 1.00 0.00 C ATOM 484 C ILE A 33 -2.361 -6.885 13.277 1.00 0.00 C ATOM 485 O ILE A 33 -3.326 -6.169 13.453 1.00 0.00 O ATOM 486 CB ILE A 33 -2.470 -7.649 15.671 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.621 -8.029 16.888 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.472 -8.768 15.380 1.00 0.00 C ATOM 489 CD1 ILE A 33 -0.668 -9.165 16.511 1.00 0.00 C ATOM 0 H ILE A 33 -0.852 -5.774 15.580 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.120 -8.386 14.118 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.007 -6.724 15.878 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.054 -7.164 17.234 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.265 -8.338 17.711 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.119 -8.911 16.245 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.078 -8.498 14.515 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.934 -9.693 15.172 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.064 -9.435 17.377 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.245 -10.031 16.186 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.016 -8.839 15.701 1.00 0.00 H new ATOM 501 N LEU A 34 -1.961 -7.200 12.075 1.00 0.00 N ATOM 502 CA LEU A 34 -2.691 -6.677 10.883 1.00 0.00 C ATOM 503 C LEU A 34 -3.957 -7.499 10.617 1.00 0.00 C ATOM 504 O LEU A 34 -4.921 -7.003 10.070 1.00 0.00 O ATOM 505 CB LEU A 34 -1.707 -6.823 9.723 1.00 0.00 C ATOM 506 CG LEU A 34 -0.440 -6.021 10.026 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.785 -6.924 9.869 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.336 -4.846 9.052 1.00 0.00 C ATOM 0 H LEU A 34 -1.161 -7.797 11.866 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.014 -5.645 11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.458 -7.874 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.163 -6.468 8.799 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.484 -5.644 11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.688 -6.353 10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.711 -7.762 10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.830 -7.302 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.566 -4.274 9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.292 -5.223 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.209 -4.203 9.164 1.00 0.00 H new ATOM 520 N GLU A 35 -3.967 -8.750 10.992 1.00 0.00 N ATOM 521 CA GLU A 35 -5.178 -9.585 10.748 1.00 0.00 C ATOM 522 C GLU A 35 -5.578 -10.333 12.021 1.00 0.00 C ATOM 523 O GLU A 35 -4.745 -10.852 12.738 1.00 0.00 O ATOM 524 CB GLU A 35 -4.764 -10.569 9.652 1.00 0.00 C ATOM 525 CG GLU A 35 -4.317 -9.795 8.412 1.00 0.00 C ATOM 526 CD GLU A 35 -4.326 -10.727 7.199 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.412 -11.927 7.400 1.00 0.00 O ATOM 528 OE2 GLU A 35 -4.248 -10.226 6.090 1.00 0.00 O ATOM 0 H GLU A 35 -3.193 -9.228 11.454 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.039 -8.985 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.954 -11.206 10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.599 -11.224 9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.982 -8.949 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.317 -9.389 8.565 1.00 0.00 H new ATOM 535 N GLN A 36 -6.851 -10.395 12.305 1.00 0.00 N ATOM 536 CA GLN A 36 -7.311 -11.111 13.530 1.00 0.00 C ATOM 537 C GLN A 36 -8.514 -11.997 13.199 1.00 0.00 C ATOM 538 O GLN A 36 -9.555 -11.905 13.819 1.00 0.00 O ATOM 539 CB GLN A 36 -7.713 -10.008 14.509 1.00 0.00 C ATOM 540 CG GLN A 36 -6.473 -9.214 14.922 1.00 0.00 C ATOM 541 CD GLN A 36 -6.900 -7.996 15.744 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.994 -7.490 15.581 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.078 -7.499 16.627 1.00 0.00 N ATOM 0 H GLN A 36 -7.593 -9.980 11.741 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.539 -11.760 13.944 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.444 -9.345 14.046 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.188 -10.443 15.388 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.802 -9.844 15.506 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.921 -8.895 14.038 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.160 -7.922 16.765 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.353 -6.687 17.180 1.00 0.00 H new ATOM 552 N SER A 37 -8.379 -12.855 12.226 1.00 0.00 N ATOM 553 CA SER A 37 -9.515 -13.747 11.856 1.00 0.00 C ATOM 554 C SER A 37 -9.106 -15.213 12.006 1.00 0.00 C ATOM 555 O SER A 37 -7.987 -15.589 11.719 1.00 0.00 O ATOM 556 CB SER A 37 -9.813 -13.420 10.392 1.00 0.00 C ATOM 557 OG SER A 37 -10.942 -14.166 9.962 1.00 0.00 O ATOM 0 H SER A 37 -7.532 -12.977 11.671 1.00 0.00 H new ATOM 0 HA SER A 37 -10.386 -13.594 12.494 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.004 -12.353 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.949 -13.658 9.772 1.00 0.00 H new ATOM 0 HG SER A 37 -11.135 -13.956 9.024 1.00 0.00 H new ATOM 563 N GLY A 38 -10.003 -16.046 12.457 1.00 0.00 N ATOM 564 CA GLY A 38 -9.663 -17.486 12.627 1.00 0.00 C ATOM 565 C GLY A 38 -8.815 -17.662 13.887 1.00 0.00 C ATOM 566 O GLY A 38 -8.663 -16.750 14.676 1.00 0.00 O ATOM 0 H GLY A 38 -10.956 -15.791 12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.574 -18.080 12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.118 -17.848 11.755 1.00 0.00 H new ATOM 570 N GLU A 39 -8.259 -18.825 14.081 1.00 0.00 N ATOM 571 CA GLU A 39 -7.420 -19.055 15.292 1.00 0.00 C ATOM 572 C GLU A 39 -6.047 -18.399 15.115 1.00 0.00 C ATOM 573 O GLU A 39 -5.453 -17.919 16.059 1.00 0.00 O ATOM 574 CB GLU A 39 -7.279 -20.574 15.393 1.00 0.00 C ATOM 575 CG GLU A 39 -8.633 -21.188 15.752 1.00 0.00 C ATOM 576 CD GLU A 39 -8.478 -22.702 15.916 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.403 -23.203 15.630 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.437 -23.335 16.326 1.00 0.00 O ATOM 0 H GLU A 39 -8.348 -19.626 13.455 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.864 -18.626 16.190 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.922 -20.981 14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.538 -20.832 16.150 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.011 -20.748 16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.362 -20.968 14.972 1.00 0.00 H new ATOM 585 N TRP A 40 -5.539 -18.378 13.914 1.00 0.00 N ATOM 586 CA TRP A 40 -4.205 -17.755 13.681 1.00 0.00 C ATOM 587 C TRP A 40 -4.367 -16.315 13.185 1.00 0.00 C ATOM 588 O TRP A 40 -5.271 -16.003 12.436 1.00 0.00 O ATOM 589 CB TRP A 40 -3.548 -18.619 12.606 1.00 0.00 C ATOM 590 CG TRP A 40 -3.308 -19.991 13.149 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.075 -21.075 12.888 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.246 -20.445 14.036 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.551 -22.165 13.560 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.423 -21.827 14.281 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.156 -19.798 14.647 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.550 -22.543 15.103 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.276 -20.514 15.474 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.473 -21.884 15.702 1.00 0.00 C ATOM 0 H TRP A 40 -5.989 -18.765 13.084 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.608 -17.710 14.592 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.188 -18.671 11.725 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.606 -18.171 12.290 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.952 -21.087 12.258 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.949 -23.103 13.527 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.995 -18.743 14.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.706 -23.598 15.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.557 -20.007 15.937 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.207 -22.429 16.340 1.00 0.00 H new ATOM 609 N TRP A 41 -3.497 -15.435 13.601 1.00 0.00 N ATOM 610 CA TRP A 41 -3.597 -14.014 13.155 1.00 0.00 C ATOM 611 C TRP A 41 -2.325 -13.602 12.411 1.00 0.00 C ATOM 612 O TRP A 41 -1.268 -14.167 12.607 1.00 0.00 O ATOM 613 CB TRP A 41 -3.744 -13.204 14.443 1.00 0.00 C ATOM 614 CG TRP A 41 -5.100 -13.432 15.027 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.149 -13.977 14.369 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.572 -13.132 16.372 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.235 -14.030 15.226 1.00 0.00 N ATOM 618 CE2 TRP A 41 -6.928 -13.521 16.471 1.00 0.00 C ATOM 619 CE3 TRP A 41 -4.959 -12.564 17.504 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.651 -13.354 17.652 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.684 -12.395 18.695 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.028 -12.788 18.768 1.00 0.00 C ATOM 0 H TRP A 41 -2.721 -15.638 14.231 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.432 -13.855 12.473 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.975 -13.497 15.158 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.600 -12.144 14.236 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.141 -14.315 13.343 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.150 -14.400 14.968 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.925 -12.256 17.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.685 -13.660 17.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.204 -11.960 19.559 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.581 -12.654 19.686 1.00 0.00 H new ATOM 633 N LYS A 42 -2.418 -12.611 11.569 1.00 0.00 N ATOM 634 CA LYS A 42 -1.212 -12.151 10.822 1.00 0.00 C ATOM 635 C LYS A 42 -0.646 -10.900 11.494 1.00 0.00 C ATOM 636 O LYS A 42 -1.382 -10.053 11.961 1.00 0.00 O ATOM 637 CB LYS A 42 -1.712 -11.830 9.413 1.00 0.00 C ATOM 638 CG LYS A 42 -0.528 -11.812 8.444 1.00 0.00 C ATOM 639 CD LYS A 42 -0.980 -11.242 7.097 1.00 0.00 C ATOM 640 CE LYS A 42 0.203 -11.223 6.128 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.067 -12.336 5.174 1.00 0.00 N ATOM 0 H LYS A 42 -3.276 -12.099 11.365 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.418 -12.898 10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.443 -12.574 9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.216 -10.864 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.282 -11.208 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.137 -12.821 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.789 -11.846 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.371 -10.233 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.274 -10.267 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.147 -11.372 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.734 -12.432 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.191 -13.223 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.933 -12.130 4.636 1.00 0.00 H new ATOM 655 N ALA A 43 0.650 -10.773 11.556 1.00 0.00 N ATOM 656 CA ALA A 43 1.235 -9.570 12.212 1.00 0.00 C ATOM 657 C ALA A 43 2.625 -9.262 11.650 1.00 0.00 C ATOM 658 O ALA A 43 3.131 -9.959 10.793 1.00 0.00 O ATOM 659 CB ALA A 43 1.329 -9.940 13.693 1.00 0.00 C ATOM 0 H ALA A 43 1.324 -11.443 11.185 1.00 0.00 H new ATOM 0 HA ALA A 43 0.629 -8.680 12.043 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.752 -9.104 14.251 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.333 -10.165 14.076 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.969 -10.815 13.810 1.00 0.00 H new ATOM 665 N GLN A 44 3.244 -8.221 12.135 1.00 0.00 N ATOM 666 CA GLN A 44 4.604 -7.855 11.643 1.00 0.00 C ATOM 667 C GLN A 44 5.460 -7.350 12.807 1.00 0.00 C ATOM 668 O GLN A 44 4.956 -6.795 13.763 1.00 0.00 O ATOM 669 CB GLN A 44 4.368 -6.740 10.623 1.00 0.00 C ATOM 670 CG GLN A 44 5.688 -6.398 9.927 1.00 0.00 C ATOM 671 CD GLN A 44 5.440 -5.332 8.859 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.308 -5.047 8.521 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.457 -4.726 8.310 1.00 0.00 N ATOM 0 H GLN A 44 2.865 -7.605 12.854 1.00 0.00 H new ATOM 0 HA GLN A 44 5.131 -8.701 11.203 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.628 -7.056 9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.967 -5.857 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.413 -6.036 10.656 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.114 -7.292 9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.407 -4.965 8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.302 -4.013 7.597 1.00 0.00 H new ATOM 682 N SER A 45 6.749 -7.536 12.738 1.00 0.00 N ATOM 683 CA SER A 45 7.628 -7.064 13.846 1.00 0.00 C ATOM 684 C SER A 45 8.268 -5.722 13.483 1.00 0.00 C ATOM 685 O SER A 45 8.955 -5.599 12.488 1.00 0.00 O ATOM 686 CB SER A 45 8.698 -8.146 13.993 1.00 0.00 C ATOM 687 OG SER A 45 8.155 -9.257 14.689 1.00 0.00 O ATOM 0 H SER A 45 7.232 -7.993 11.964 1.00 0.00 H new ATOM 0 HA SER A 45 7.074 -6.910 14.772 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.053 -8.457 13.011 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.559 -7.751 14.533 1.00 0.00 H new ATOM 0 HG SER A 45 8.803 -9.577 15.350 1.00 0.00 H new ATOM 693 N LEU A 46 8.049 -4.714 14.283 1.00 0.00 N ATOM 694 CA LEU A 46 8.647 -3.381 13.985 1.00 0.00 C ATOM 695 C LEU A 46 10.118 -3.356 14.407 1.00 0.00 C ATOM 696 O LEU A 46 10.777 -2.338 14.336 1.00 0.00 O ATOM 697 CB LEU A 46 7.832 -2.388 14.814 1.00 0.00 C ATOM 698 CG LEU A 46 6.350 -2.525 14.463 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.537 -1.514 15.273 1.00 0.00 C ATOM 700 CD2 LEU A 46 6.152 -2.259 12.970 1.00 0.00 C ATOM 0 H LEU A 46 7.482 -4.756 15.130 1.00 0.00 H new ATOM 0 HA LEU A 46 8.619 -3.143 12.922 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.984 -2.575 15.877 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.170 -1.371 14.618 1.00 0.00 H new ATOM 0 HG LEU A 46 6.014 -3.534 14.700 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.481 -1.612 15.022 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.677 -1.704 16.337 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.873 -0.504 15.038 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.096 -2.357 12.720 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.489 -1.250 12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.730 -2.980 12.392 1.00 0.00 H new ATOM 712 N THR A 47 10.638 -4.471 14.843 1.00 0.00 N ATOM 713 CA THR A 47 12.067 -4.514 15.267 1.00 0.00 C ATOM 714 C THR A 47 12.892 -5.319 14.260 1.00 0.00 C ATOM 715 O THR A 47 13.991 -4.945 13.902 1.00 0.00 O ATOM 716 CB THR A 47 12.056 -5.207 16.630 1.00 0.00 C ATOM 717 OG1 THR A 47 10.777 -5.053 17.228 1.00 0.00 O ATOM 718 CG2 THR A 47 13.121 -4.581 17.532 1.00 0.00 C ATOM 0 H THR A 47 10.135 -5.355 14.924 1.00 0.00 H new ATOM 0 HA THR A 47 12.513 -3.521 15.320 1.00 0.00 H new ATOM 0 HB THR A 47 12.271 -6.268 16.500 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.768 -5.498 18.101 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.112 -5.076 18.503 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.102 -4.700 17.073 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.909 -3.520 17.664 1.00 0.00 H new ATOM 726 N THR A 48 12.369 -6.423 13.800 1.00 0.00 N ATOM 727 CA THR A 48 13.124 -7.252 12.815 1.00 0.00 C ATOM 728 C THR A 48 12.777 -6.821 11.388 1.00 0.00 C ATOM 729 O THR A 48 13.565 -6.970 10.475 1.00 0.00 O ATOM 730 CB THR A 48 12.662 -8.687 13.069 1.00 0.00 C ATOM 731 OG1 THR A 48 11.275 -8.796 12.780 1.00 0.00 O ATOM 732 CG2 THR A 48 12.911 -9.055 14.534 1.00 0.00 C ATOM 0 H THR A 48 11.453 -6.787 14.063 1.00 0.00 H new ATOM 0 HA THR A 48 14.203 -7.146 12.926 1.00 0.00 H new ATOM 0 HB THR A 48 13.221 -9.367 12.426 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.979 -9.716 12.941 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.581 -10.078 14.713 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.975 -8.973 14.754 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.354 -8.376 15.179 1.00 0.00 H new ATOM 740 N GLY A 49 11.602 -6.290 11.188 1.00 0.00 N ATOM 741 CA GLY A 49 11.204 -5.852 9.821 1.00 0.00 C ATOM 742 C GLY A 49 10.685 -7.055 9.031 1.00 0.00 C ATOM 743 O GLY A 49 10.858 -7.144 7.831 1.00 0.00 O ATOM 0 H GLY A 49 10.900 -6.141 11.913 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.433 -5.084 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.056 -5.407 9.308 1.00 0.00 H new ATOM 747 N GLN A 50 10.048 -7.981 9.694 1.00 0.00 N ATOM 748 CA GLN A 50 9.519 -9.179 8.978 1.00 0.00 C ATOM 749 C GLN A 50 8.038 -9.385 9.309 1.00 0.00 C ATOM 750 O GLN A 50 7.566 -8.995 10.359 1.00 0.00 O ATOM 751 CB GLN A 50 10.350 -10.351 9.502 1.00 0.00 C ATOM 752 CG GLN A 50 11.495 -10.641 8.530 1.00 0.00 C ATOM 753 CD GLN A 50 12.431 -11.685 9.143 1.00 0.00 C ATOM 754 OE1 GLN A 50 12.217 -12.134 10.250 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.469 -12.092 8.463 1.00 0.00 N ATOM 0 H GLN A 50 9.871 -7.961 10.698 1.00 0.00 H new ATOM 0 HA GLN A 50 9.591 -9.077 7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.748 -10.116 10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.722 -11.235 9.614 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.098 -11.004 7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.045 -9.725 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.649 -11.715 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.100 -12.787 8.862 1.00 0.00 H new ATOM 764 N GLU A 51 7.301 -9.995 8.421 1.00 0.00 N ATOM 765 CA GLU A 51 5.853 -10.229 8.685 1.00 0.00 C ATOM 766 C GLU A 51 5.545 -11.728 8.655 1.00 0.00 C ATOM 767 O GLU A 51 6.096 -12.467 7.864 1.00 0.00 O ATOM 768 CB GLU A 51 5.121 -9.508 7.551 1.00 0.00 C ATOM 769 CG GLU A 51 3.611 -9.645 7.754 1.00 0.00 C ATOM 770 CD GLU A 51 2.878 -9.025 6.562 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.549 -8.602 5.634 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.660 -8.984 6.597 1.00 0.00 O ATOM 0 H GLU A 51 7.640 -10.342 7.523 1.00 0.00 H new ATOM 0 HA GLU A 51 5.548 -9.862 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.403 -8.455 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.410 -9.932 6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.341 -10.696 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.311 -9.149 8.677 1.00 0.00 H new ATOM 779 N GLY A 52 4.673 -12.184 9.512 1.00 0.00 N ATOM 780 CA GLY A 52 4.337 -13.635 9.530 1.00 0.00 C ATOM 781 C GLY A 52 3.105 -13.868 10.408 1.00 0.00 C ATOM 782 O GLY A 52 2.749 -13.041 11.224 1.00 0.00 O ATOM 0 H GLY A 52 4.179 -11.615 10.200 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.145 -13.986 8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.181 -14.209 9.912 1.00 0.00 H new ATOM 786 N PHE A 53 2.457 -14.990 10.252 1.00 0.00 N ATOM 787 CA PHE A 53 1.255 -15.277 11.085 1.00 0.00 C ATOM 788 C PHE A 53 1.679 -15.569 12.526 1.00 0.00 C ATOM 789 O PHE A 53 2.734 -16.119 12.772 1.00 0.00 O ATOM 790 CB PHE A 53 0.614 -16.512 10.451 1.00 0.00 C ATOM 791 CG PHE A 53 0.201 -16.196 9.033 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.973 -15.474 8.789 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.994 -16.625 7.962 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.355 -15.183 7.474 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.611 -16.334 6.647 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.563 -15.612 6.403 1.00 0.00 C ATOM 0 H PHE A 53 2.708 -15.720 9.585 1.00 0.00 H new ATOM 0 HA PHE A 53 0.562 -14.436 11.118 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.318 -17.344 10.459 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.254 -16.823 11.033 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.584 -15.141 9.615 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.901 -17.180 8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.262 -14.627 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.222 -16.667 5.821 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.857 -15.386 5.389 1.00 0.00 H new ATOM 806 N ILE A 54 0.870 -15.203 13.480 1.00 0.00 N ATOM 807 CA ILE A 54 1.234 -15.456 14.902 1.00 0.00 C ATOM 808 C ILE A 54 0.022 -15.978 15.677 1.00 0.00 C ATOM 809 O ILE A 54 -1.072 -15.469 15.535 1.00 0.00 O ATOM 810 CB ILE A 54 1.667 -14.095 15.444 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.526 -13.091 15.266 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.898 -13.608 14.676 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.107 -12.545 16.632 1.00 0.00 C ATOM 0 H ILE A 54 -0.027 -14.740 13.337 1.00 0.00 H new ATOM 0 HA ILE A 54 2.019 -16.206 14.999 1.00 0.00 H new ATOM 0 HB ILE A 54 1.912 -14.186 16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.844 -12.274 14.618 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.323 -13.572 14.779 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.207 -12.637 15.062 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.711 -14.324 14.800 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.654 -13.516 13.618 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.706 -11.830 16.504 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.229 -13.367 17.265 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.956 -12.049 17.102 1.00 0.00 H new ATOM 825 N PRO A 55 0.264 -16.977 16.480 1.00 0.00 N ATOM 826 CA PRO A 55 -0.852 -17.546 17.281 1.00 0.00 C ATOM 827 C PRO A 55 -1.467 -16.461 18.169 1.00 0.00 C ATOM 828 O PRO A 55 -0.793 -15.554 18.615 1.00 0.00 O ATOM 829 CB PRO A 55 -0.188 -18.630 18.123 1.00 0.00 C ATOM 830 CG PRO A 55 1.242 -18.216 18.219 1.00 0.00 C ATOM 831 CD PRO A 55 1.566 -17.472 16.952 1.00 0.00 C ATOM 0 HA PRO A 55 -1.663 -17.939 16.668 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.646 -18.701 19.109 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.286 -19.610 17.655 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.403 -17.582 19.091 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.889 -19.086 18.333 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.260 -16.652 17.138 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.034 -18.125 16.216 1.00 0.00 H new ATOM 839 N PHE A 56 -2.745 -16.540 18.421 1.00 0.00 N ATOM 840 CA PHE A 56 -3.403 -15.505 19.269 1.00 0.00 C ATOM 841 C PHE A 56 -3.214 -15.814 20.759 1.00 0.00 C ATOM 842 O PHE A 56 -3.594 -15.037 21.612 1.00 0.00 O ATOM 843 CB PHE A 56 -4.886 -15.569 18.887 1.00 0.00 C ATOM 844 CG PHE A 56 -5.542 -16.752 19.564 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.449 -18.027 18.993 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.243 -16.571 20.761 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.056 -19.121 19.622 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.851 -17.665 21.389 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.757 -18.940 20.819 1.00 0.00 C ATOM 0 H PHE A 56 -3.362 -17.276 18.077 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.977 -14.515 19.107 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.386 -14.647 19.182 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.988 -15.655 17.805 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.909 -18.167 18.068 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.315 -15.587 21.201 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.983 -20.105 19.183 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.392 -17.525 22.313 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.226 -19.784 21.303 1.00 0.00 H new ATOM 859 N ASN A 57 -2.638 -16.939 21.085 1.00 0.00 N ATOM 860 CA ASN A 57 -2.443 -17.280 22.525 1.00 0.00 C ATOM 861 C ASN A 57 -1.100 -16.745 23.029 1.00 0.00 C ATOM 862 O ASN A 57 -0.925 -16.494 24.205 1.00 0.00 O ATOM 863 CB ASN A 57 -2.462 -18.808 22.573 1.00 0.00 C ATOM 864 CG ASN A 57 -3.825 -19.316 22.097 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.852 -18.852 22.552 1.00 0.00 O ATOM 866 ND2 ASN A 57 -3.879 -20.258 21.195 1.00 0.00 N ATOM 0 H ASN A 57 -2.295 -17.634 20.422 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.212 -16.838 23.158 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.671 -19.212 21.942 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.268 -19.153 23.588 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.783 -20.604 20.873 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.018 -20.648 20.813 1.00 0.00 H new ATOM 873 N PHE A 58 -0.148 -16.569 22.154 1.00 0.00 N ATOM 874 CA PHE A 58 1.179 -16.049 22.595 1.00 0.00 C ATOM 875 C PHE A 58 1.228 -14.527 22.446 1.00 0.00 C ATOM 876 O PHE A 58 2.234 -13.899 22.715 1.00 0.00 O ATOM 877 CB PHE A 58 2.198 -16.715 21.667 1.00 0.00 C ATOM 878 CG PHE A 58 2.073 -18.219 21.768 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.543 -18.808 22.924 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.490 -19.026 20.702 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.431 -20.200 23.012 1.00 0.00 C ATOM 882 CE2 PHE A 58 2.377 -20.418 20.791 1.00 0.00 C ATOM 883 CZ PHE A 58 1.847 -21.005 21.946 1.00 0.00 C ATOM 0 H PHE A 58 -0.230 -16.762 21.156 1.00 0.00 H new ATOM 0 HA PHE A 58 1.380 -16.270 23.643 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.031 -16.395 20.639 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.207 -16.405 21.938 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.221 -18.187 23.747 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.899 -18.574 19.811 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.023 -20.653 23.903 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.699 -21.039 19.968 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.759 -22.079 22.014 1.00 0.00 H new ATOM 893 N VAL A 59 0.149 -13.927 22.023 1.00 0.00 N ATOM 894 CA VAL A 59 0.132 -12.444 21.862 1.00 0.00 C ATOM 895 C VAL A 59 -1.183 -11.871 22.398 1.00 0.00 C ATOM 896 O VAL A 59 -2.232 -12.468 22.262 1.00 0.00 O ATOM 897 CB VAL A 59 0.246 -12.208 20.355 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.562 -12.798 19.846 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.927 -12.885 19.642 1.00 0.00 C ATOM 0 H VAL A 59 -0.722 -14.399 21.782 1.00 0.00 H new ATOM 0 HA VAL A 59 0.938 -11.958 22.412 1.00 0.00 H new ATOM 0 HB VAL A 59 0.225 -11.137 20.152 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.645 -12.631 18.772 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.397 -12.316 20.354 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.583 -13.869 20.049 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.846 -12.717 18.568 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.907 -13.956 19.844 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.865 -12.465 20.005 1.00 0.00 H new ATOM 909 N ALA A 60 -1.135 -10.718 23.008 1.00 0.00 N ATOM 910 CA ALA A 60 -2.384 -10.111 23.554 1.00 0.00 C ATOM 911 C ALA A 60 -2.453 -8.623 23.201 1.00 0.00 C ATOM 912 O ALA A 60 -1.461 -8.008 22.864 1.00 0.00 O ATOM 913 CB ALA A 60 -2.286 -10.299 25.067 1.00 0.00 C ATOM 0 H ALA A 60 -0.287 -10.170 23.152 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.280 -10.574 23.142 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.171 -9.877 25.544 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.221 -11.362 25.298 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.396 -9.792 25.440 1.00 0.00 H new ATOM 919 N LYS A 61 -3.618 -8.039 23.274 1.00 0.00 N ATOM 920 CA LYS A 61 -3.752 -6.591 22.943 1.00 0.00 C ATOM 921 C LYS A 61 -3.109 -5.737 24.040 1.00 0.00 C ATOM 922 O LYS A 61 -3.281 -5.988 25.216 1.00 0.00 O ATOM 923 CB LYS A 61 -5.257 -6.336 22.879 1.00 0.00 C ATOM 924 CG LYS A 61 -5.850 -7.079 21.680 1.00 0.00 C ATOM 925 CD LYS A 61 -7.310 -6.663 21.492 1.00 0.00 C ATOM 926 CE LYS A 61 -7.966 -7.564 20.444 1.00 0.00 C ATOM 927 NZ LYS A 61 -7.836 -8.943 20.992 1.00 0.00 N ATOM 0 H LYS A 61 -4.484 -8.502 23.549 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.256 -6.334 22.007 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.733 -6.672 23.800 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.452 -5.267 22.791 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.278 -6.854 20.780 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.785 -8.156 21.838 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.846 -6.738 22.438 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.365 -5.621 21.177 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.011 -7.296 20.291 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.469 -7.474 19.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.697 -9.485 20.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.015 -9.412 20.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.705 -8.896 22.023 1.00 0.00 H new ATOM 941 N ALA A 62 -2.371 -4.729 23.663 1.00 0.00 N ATOM 942 CA ALA A 62 -1.720 -3.860 24.684 1.00 0.00 C ATOM 943 C ALA A 62 -2.779 -3.093 25.480 1.00 0.00 C ATOM 944 O ALA A 62 -2.632 -2.858 26.663 1.00 0.00 O ATOM 945 CB ALA A 62 -0.848 -2.893 23.881 1.00 0.00 C ATOM 0 H ALA A 62 -2.191 -4.470 22.693 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.137 -4.434 25.404 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.332 -2.216 24.563 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.114 -3.457 23.306 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.475 -2.316 23.202 1.00 0.00 H new ATOM 951 N ASN A 63 -3.846 -2.698 24.840 1.00 0.00 N ATOM 952 CA ASN A 63 -4.912 -1.946 25.562 1.00 0.00 C ATOM 953 C ASN A 63 -6.120 -2.853 25.817 1.00 0.00 C ATOM 954 O ASN A 63 -6.454 -3.623 24.931 1.00 0.00 O ATOM 955 CB ASN A 63 -5.291 -0.800 24.624 1.00 0.00 C ATOM 956 CG ASN A 63 -4.108 0.162 24.491 1.00 0.00 C ATOM 957 OD1 ASN A 63 -3.173 0.104 25.264 1.00 0.00 O ATOM 958 ND2 ASN A 63 -4.110 1.051 23.536 1.00 0.00 N ATOM 959 OXT ASN A 63 -6.686 -2.764 26.893 1.00 0.00 O ATOM 0 H ASN A 63 -4.026 -2.863 23.850 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.576 -1.584 26.534 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.566 -1.193 23.645 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.162 -0.271 25.012 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.327 1.697 23.439 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.895 1.100 22.887 1.00 0.00 H new TER 966 ASN A 63