USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 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 Set 1.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -2.11 K(o=-2.1,f=-3.5!) USER MOD Set 2.1: A 45 SER OG : rot 152:sc= 0.455 USER MOD Set 2.2: A 47 THR OG1 : rot -81:sc= -1.14! USER MOD Set 3.1: A 18 SER OG : rot 38:sc= -0.387! USER MOD Set 3.2: A 19 HIS : no HE2:sc= 1.51 K(o=1.1,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.165 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 ASN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-2.8) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 27:sc= 0.886 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= -0.0377 (180deg=-0.48) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 36 GLN : amide:sc= -0.0256 K(o=-0.026,f=-0.76) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= 0.414 (180deg=0.301) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.089 K(o=-0.089,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.629 5.176 13.489 1.00 0.00 N ATOM 2 CA GLY A 1 -10.429 5.385 12.630 1.00 0.00 C ATOM 3 C GLY A 1 -9.490 6.390 13.302 1.00 0.00 C ATOM 4 O GLY A 1 -9.055 7.348 12.696 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.268 4.493 13.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.333 4.808 14.415 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.125 6.081 13.619 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.913 4.438 12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.730 5.752 11.649 1.00 0.00 H new ATOM 10 N SER A 2 -9.175 6.178 14.550 1.00 0.00 N ATOM 11 CA SER A 2 -8.264 7.122 15.259 1.00 0.00 C ATOM 12 C SER A 2 -6.834 6.977 14.729 1.00 0.00 C ATOM 13 O SER A 2 -6.414 5.898 14.363 1.00 0.00 O ATOM 14 CB SER A 2 -8.334 6.711 16.730 1.00 0.00 C ATOM 15 OG SER A 2 -9.505 5.938 16.951 1.00 0.00 O ATOM 0 H SER A 2 -9.508 5.393 15.110 1.00 0.00 H new ATOM 0 HA SER A 2 -8.553 8.163 15.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.449 6.135 17.000 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.344 7.596 17.366 1.00 0.00 H new ATOM 0 HG SER A 2 -9.549 5.673 17.893 1.00 0.00 H new ATOM 21 N PRO A 3 -6.135 8.078 14.706 1.00 0.00 N ATOM 22 CA PRO A 3 -4.736 8.037 14.207 1.00 0.00 C ATOM 23 C PRO A 3 -3.934 6.966 14.951 1.00 0.00 C ATOM 24 O PRO A 3 -3.003 6.392 14.421 1.00 0.00 O ATOM 25 CB PRO A 3 -4.192 9.429 14.513 1.00 0.00 C ATOM 26 CG PRO A 3 -5.024 9.920 15.651 1.00 0.00 C ATOM 27 CD PRO A 3 -6.382 9.292 15.501 1.00 0.00 C ATOM 0 HA PRO A 3 -4.673 7.788 13.148 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.136 9.391 14.782 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.277 10.086 13.648 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.574 9.645 16.605 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.097 11.007 15.635 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.818 9.051 16.470 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.077 9.963 14.997 1.00 0.00 H new ATOM 35 N LEU A 4 -4.287 6.691 16.177 1.00 0.00 N ATOM 36 CA LEU A 4 -3.545 5.657 16.954 1.00 0.00 C ATOM 37 C LEU A 4 -4.164 4.277 16.723 1.00 0.00 C ATOM 38 O LEU A 4 -5.357 4.143 16.542 1.00 0.00 O ATOM 39 CB LEU A 4 -3.696 6.075 18.416 1.00 0.00 C ATOM 40 CG LEU A 4 -3.264 7.535 18.577 1.00 0.00 C ATOM 41 CD1 LEU A 4 -3.288 7.914 20.059 1.00 0.00 C ATOM 42 CD2 LEU A 4 -1.847 7.711 18.028 1.00 0.00 C ATOM 0 H LEU A 4 -5.057 7.138 16.675 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.499 5.589 16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.731 5.954 18.735 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.089 5.433 19.054 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.949 8.179 18.027 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.980 8.953 20.174 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.298 7.789 20.450 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.603 7.270 20.610 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.539 8.750 18.142 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.161 7.067 18.578 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.830 7.442 16.972 1.00 0.00 H new ATOM 54 N GLN A 5 -3.361 3.247 16.728 1.00 0.00 N ATOM 55 CA GLN A 5 -3.903 1.876 16.510 1.00 0.00 C ATOM 56 C GLN A 5 -3.677 1.014 17.756 1.00 0.00 C ATOM 57 O GLN A 5 -2.633 1.064 18.375 1.00 0.00 O ATOM 58 CB GLN A 5 -3.115 1.322 15.323 1.00 0.00 C ATOM 59 CG GLN A 5 -3.371 2.189 14.090 1.00 0.00 C ATOM 60 CD GLN A 5 -2.528 1.676 12.921 1.00 0.00 C ATOM 61 OE1 GLN A 5 -1.678 0.826 13.097 1.00 0.00 O ATOM 62 NE2 GLN A 5 -2.731 2.157 11.725 1.00 0.00 N ATOM 0 H GLN A 5 -2.353 3.296 16.874 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.976 1.881 16.319 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.050 1.307 15.555 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.412 0.292 15.124 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.429 2.164 13.828 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.120 3.228 14.304 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.445 2.871 11.577 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.176 1.819 10.939 1.00 0.00 H new ATOM 71 N ASP A 6 -4.649 0.225 18.126 1.00 0.00 N ATOM 72 CA ASP A 6 -4.487 -0.639 19.331 1.00 0.00 C ATOM 73 C ASP A 6 -4.183 -2.079 18.911 1.00 0.00 C ATOM 74 O ASP A 6 -4.257 -2.997 19.705 1.00 0.00 O ATOM 75 CB ASP A 6 -5.832 -0.562 20.055 1.00 0.00 C ATOM 76 CG ASP A 6 -6.075 0.874 20.526 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.132 1.648 20.515 1.00 0.00 O ATOM 78 OD2 ASP A 6 -7.201 1.175 20.889 1.00 0.00 O ATOM 0 H ASP A 6 -5.546 0.141 17.648 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.663 -0.314 19.966 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.635 -0.879 19.389 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.838 -1.242 20.907 1.00 0.00 H new ATOM 83 N ASN A 7 -3.843 -2.285 17.668 1.00 0.00 N ATOM 84 CA ASN A 7 -3.535 -3.668 17.198 1.00 0.00 C ATOM 85 C ASN A 7 -2.108 -4.056 17.595 1.00 0.00 C ATOM 86 O ASN A 7 -1.606 -5.093 17.207 1.00 0.00 O ATOM 87 CB ASN A 7 -3.670 -3.607 15.676 1.00 0.00 C ATOM 88 CG ASN A 7 -5.108 -3.242 15.305 1.00 0.00 C ATOM 89 OD1 ASN A 7 -5.335 -2.464 14.399 1.00 0.00 O ATOM 90 ND2 ASN A 7 -6.096 -3.773 15.972 1.00 0.00 N ATOM 0 H ASN A 7 -3.765 -1.557 16.958 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.200 -4.412 17.637 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.980 -2.869 15.268 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.403 -4.569 15.238 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.059 -3.535 15.733 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.906 -4.426 16.732 1.00 0.00 H new ATOM 97 N LEU A 8 -1.451 -3.234 18.365 1.00 0.00 N ATOM 98 CA LEU A 8 -0.057 -3.558 18.785 1.00 0.00 C ATOM 99 C LEU A 8 -0.073 -4.473 20.012 1.00 0.00 C ATOM 100 O LEU A 8 -0.881 -4.315 20.905 1.00 0.00 O ATOM 101 CB LEU A 8 0.576 -2.209 19.131 1.00 0.00 C ATOM 102 CG LEU A 8 0.703 -1.364 17.862 1.00 0.00 C ATOM 103 CD1 LEU A 8 -0.659 -0.765 17.509 1.00 0.00 C ATOM 104 CD2 LEU A 8 1.710 -0.237 18.099 1.00 0.00 C ATOM 0 H LEU A 8 -1.818 -2.352 18.722 1.00 0.00 H new ATOM 0 HA LEU A 8 0.498 -4.081 18.006 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.034 -1.687 19.868 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.558 -2.360 19.580 1.00 0.00 H new ATOM 0 HG LEU A 8 1.047 -1.992 17.040 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.568 -0.163 16.605 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.377 -1.568 17.340 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.004 -0.137 18.330 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.801 0.366 17.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.366 0.391 18.921 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.681 -0.664 18.350 1.00 0.00 H new ATOM 116 N VAL A 9 0.814 -5.429 20.065 1.00 0.00 N ATOM 117 CA VAL A 9 0.845 -6.350 21.238 1.00 0.00 C ATOM 118 C VAL A 9 2.269 -6.863 21.473 1.00 0.00 C ATOM 119 O VAL A 9 3.151 -6.668 20.661 1.00 0.00 O ATOM 120 CB VAL A 9 -0.084 -7.505 20.861 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.516 -6.987 20.735 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.363 -8.105 19.527 1.00 0.00 C ATOM 0 H VAL A 9 1.517 -5.612 19.349 1.00 0.00 H new ATOM 0 HA VAL A 9 0.530 -5.856 22.157 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.043 -8.272 21.635 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.178 -7.810 20.466 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.834 -6.561 21.687 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.559 -6.220 19.962 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.299 -8.928 19.258 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.323 -7.339 18.752 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.384 -8.476 19.619 1.00 0.00 H new ATOM 132 N ILE A 10 2.495 -7.521 22.576 1.00 0.00 N ATOM 133 CA ILE A 10 3.857 -8.053 22.864 1.00 0.00 C ATOM 134 C ILE A 10 3.838 -9.583 22.822 1.00 0.00 C ATOM 135 O ILE A 10 2.845 -10.208 23.136 1.00 0.00 O ATOM 136 CB ILE A 10 4.190 -7.556 24.271 1.00 0.00 C ATOM 137 CG1 ILE A 10 4.080 -6.030 24.314 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.615 -7.974 24.638 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.287 -5.544 25.750 1.00 0.00 C ATOM 0 H ILE A 10 1.794 -7.714 23.292 1.00 0.00 H new ATOM 0 HA ILE A 10 4.596 -7.722 22.134 1.00 0.00 H new ATOM 0 HB ILE A 10 3.489 -7.991 24.983 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.825 -5.582 23.656 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.102 -5.715 23.949 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.851 -7.619 25.641 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.694 -9.061 24.609 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.316 -7.540 23.925 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.209 -4.457 25.781 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.525 -5.981 26.395 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.275 -5.847 26.098 1.00 0.00 H new ATOM 151 N ALA A 11 4.924 -10.193 22.432 1.00 0.00 N ATOM 152 CA ALA A 11 4.955 -11.681 22.369 1.00 0.00 C ATOM 153 C ALA A 11 5.187 -12.270 23.763 1.00 0.00 C ATOM 154 O ALA A 11 6.251 -12.136 24.333 1.00 0.00 O ATOM 155 CB ALA A 11 6.126 -12.014 21.445 1.00 0.00 C ATOM 0 H ALA A 11 5.788 -9.727 22.155 1.00 0.00 H new ATOM 0 HA ALA A 11 4.015 -12.096 22.004 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.216 -13.096 21.347 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.951 -11.574 20.463 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.047 -11.610 21.865 1.00 0.00 H new ATOM 161 N LEU A 12 4.206 -12.931 24.311 1.00 0.00 N ATOM 162 CA LEU A 12 4.384 -13.536 25.663 1.00 0.00 C ATOM 163 C LEU A 12 5.324 -14.738 25.563 1.00 0.00 C ATOM 164 O LEU A 12 5.940 -15.144 26.529 1.00 0.00 O ATOM 165 CB LEU A 12 2.984 -13.979 26.090 1.00 0.00 C ATOM 166 CG LEU A 12 2.186 -12.762 26.562 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.973 -12.026 27.649 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.946 -11.819 25.381 1.00 0.00 C ATOM 0 H LEU A 12 3.291 -13.079 23.884 1.00 0.00 H new ATOM 0 HA LEU A 12 4.820 -12.841 26.381 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.473 -14.461 25.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.052 -14.715 26.891 1.00 0.00 H new ATOM 0 HG LEU A 12 1.228 -13.091 26.965 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.405 -11.159 27.986 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.145 -12.696 28.491 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.931 -11.698 27.246 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.377 -10.952 25.717 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.904 -11.491 24.977 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.386 -12.342 24.606 1.00 0.00 H new ATOM 180 N HIS A 13 5.439 -15.306 24.394 1.00 0.00 N ATOM 181 CA HIS A 13 6.336 -16.481 24.211 1.00 0.00 C ATOM 182 C HIS A 13 6.808 -16.550 22.756 1.00 0.00 C ATOM 183 O HIS A 13 6.120 -16.118 21.854 1.00 0.00 O ATOM 184 CB HIS A 13 5.470 -17.693 24.551 1.00 0.00 C ATOM 185 CG HIS A 13 5.200 -17.718 26.031 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.217 -17.832 26.966 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.035 -17.643 26.752 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.649 -17.822 28.185 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.320 -17.710 28.113 1.00 0.00 N ATOM 0 H HIS A 13 4.947 -15.004 23.553 1.00 0.00 H new ATOM 0 HA HIS A 13 7.227 -16.430 24.837 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.531 -17.648 24.000 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.974 -18.610 24.247 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.046 -17.547 26.328 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.201 -17.896 29.110 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.657 -17.680 28.888 1.00 0.00 H new ATOM 197 N SER A 14 7.970 -17.091 22.516 1.00 0.00 N ATOM 198 CA SER A 14 8.468 -17.182 21.113 1.00 0.00 C ATOM 199 C SER A 14 7.599 -18.154 20.312 1.00 0.00 C ATOM 200 O SER A 14 7.157 -19.165 20.821 1.00 0.00 O ATOM 201 CB SER A 14 9.896 -17.715 21.236 1.00 0.00 C ATOM 202 OG SER A 14 9.861 -19.096 21.564 1.00 0.00 O ATOM 0 H SER A 14 8.595 -17.473 23.226 1.00 0.00 H new ATOM 0 HA SER A 14 8.435 -16.223 20.596 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.433 -17.567 20.299 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.437 -17.162 22.004 1.00 0.00 H new ATOM 0 HG SER A 14 10.776 -19.437 21.641 1.00 0.00 H new ATOM 208 N TYR A 15 7.349 -17.863 19.063 1.00 0.00 N ATOM 209 CA TYR A 15 6.508 -18.786 18.248 1.00 0.00 C ATOM 210 C TYR A 15 7.391 -19.687 17.380 1.00 0.00 C ATOM 211 O TYR A 15 8.540 -19.387 17.125 1.00 0.00 O ATOM 212 CB TYR A 15 5.646 -17.877 17.372 1.00 0.00 C ATOM 213 CG TYR A 15 4.780 -18.732 16.478 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.584 -19.264 16.971 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.175 -18.998 15.163 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.782 -20.064 16.148 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.373 -19.796 14.338 1.00 0.00 C ATOM 218 CZ TYR A 15 3.176 -20.330 14.831 1.00 0.00 C ATOM 219 OH TYR A 15 2.386 -21.118 14.019 1.00 0.00 O ATOM 0 H TYR A 15 7.688 -17.033 18.576 1.00 0.00 H new ATOM 0 HA TYR A 15 5.902 -19.443 18.872 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.024 -17.234 17.995 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.278 -17.224 16.771 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.279 -19.058 17.986 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.099 -18.588 14.784 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.859 -20.476 16.529 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.677 -20.000 13.322 1.00 0.00 H new ATOM 0 HH TYR A 15 1.452 -21.055 14.310 1.00 0.00 H new ATOM 229 N GLU A 16 6.859 -20.788 16.923 1.00 0.00 N ATOM 230 CA GLU A 16 7.664 -21.710 16.070 1.00 0.00 C ATOM 231 C GLU A 16 7.234 -21.581 14.606 1.00 0.00 C ATOM 232 O GLU A 16 6.073 -21.741 14.284 1.00 0.00 O ATOM 233 CB GLU A 16 7.355 -23.111 16.598 1.00 0.00 C ATOM 234 CG GLU A 16 7.627 -23.160 18.103 1.00 0.00 C ATOM 235 CD GLU A 16 8.826 -24.071 18.375 1.00 0.00 C ATOM 236 OE1 GLU A 16 9.064 -24.960 17.574 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.486 -23.864 19.381 1.00 0.00 O ATOM 0 H GLU A 16 5.901 -21.089 17.103 1.00 0.00 H new ATOM 0 HA GLU A 16 8.730 -21.487 16.111 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.314 -23.366 16.397 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.969 -23.849 16.082 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.826 -22.157 18.480 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.748 -23.531 18.630 1.00 0.00 H new ATOM 244 N PRO A 17 8.190 -21.292 13.766 1.00 0.00 N ATOM 245 CA PRO A 17 7.864 -21.144 12.325 1.00 0.00 C ATOM 246 C PRO A 17 7.777 -22.517 11.653 1.00 0.00 C ATOM 247 O PRO A 17 8.719 -22.979 11.042 1.00 0.00 O ATOM 248 CB PRO A 17 9.029 -20.342 11.760 1.00 0.00 C ATOM 249 CG PRO A 17 10.169 -20.618 12.683 1.00 0.00 C ATOM 250 CD PRO A 17 9.584 -20.908 14.041 1.00 0.00 C ATOM 0 HA PRO A 17 6.903 -20.657 12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.263 -20.649 10.741 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.797 -19.278 11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.755 -21.466 12.328 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.842 -19.762 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.125 -21.710 14.543 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.634 -20.034 14.690 1.00 0.00 H new ATOM 258 N SER A 18 6.654 -23.172 11.762 1.00 0.00 N ATOM 259 CA SER A 18 6.511 -24.514 11.130 1.00 0.00 C ATOM 260 C SER A 18 6.224 -24.366 9.633 1.00 0.00 C ATOM 261 O SER A 18 6.119 -25.339 8.913 1.00 0.00 O ATOM 262 CB SER A 18 5.322 -25.160 11.842 1.00 0.00 C ATOM 263 OG SER A 18 4.121 -24.522 11.432 1.00 0.00 O ATOM 0 H SER A 18 5.830 -22.836 12.261 1.00 0.00 H new ATOM 0 HA SER A 18 7.417 -25.113 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.279 -26.224 11.609 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.441 -25.075 12.922 1.00 0.00 H new ATOM 0 HG SER A 18 4.176 -24.302 10.479 1.00 0.00 H new ATOM 269 N HIS A 19 6.095 -23.157 9.159 1.00 0.00 N ATOM 270 CA HIS A 19 5.813 -22.949 7.709 1.00 0.00 C ATOM 271 C HIS A 19 6.803 -21.942 7.115 1.00 0.00 C ATOM 272 O HIS A 19 7.868 -21.712 7.655 1.00 0.00 O ATOM 273 CB HIS A 19 4.388 -22.393 7.663 1.00 0.00 C ATOM 274 CG HIS A 19 3.410 -23.482 8.009 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.857 -23.603 9.273 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.875 -24.505 7.266 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.028 -24.663 9.253 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.002 -25.250 8.054 1.00 0.00 N ATOM 0 H HIS A 19 6.173 -22.304 9.713 1.00 0.00 H new ATOM 0 HA HIS A 19 5.913 -23.868 7.131 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.288 -21.564 8.364 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.173 -21.999 6.670 1.00 0.00 H new ATOM 0 HD1 HIS A 19 3.044 -22.999 10.073 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.098 -24.702 6.228 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.453 -24.998 10.104 1.00 0.00 H new ATOM 286 N ASP A 20 6.463 -21.341 6.007 1.00 0.00 N ATOM 287 CA ASP A 20 7.385 -20.350 5.381 1.00 0.00 C ATOM 288 C ASP A 20 6.838 -18.931 5.560 1.00 0.00 C ATOM 289 O ASP A 20 7.556 -17.958 5.445 1.00 0.00 O ATOM 290 CB ASP A 20 7.424 -20.726 3.900 1.00 0.00 C ATOM 291 CG ASP A 20 8.124 -22.075 3.731 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.734 -22.526 4.687 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.039 -22.633 2.650 1.00 0.00 O ATOM 0 H ASP A 20 5.587 -21.493 5.508 1.00 0.00 H new ATOM 0 HA ASP A 20 8.377 -20.367 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.411 -20.778 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.951 -19.958 3.333 1.00 0.00 H new ATOM 298 N GLY A 21 5.569 -18.806 5.840 1.00 0.00 N ATOM 299 CA GLY A 21 4.977 -17.452 6.024 1.00 0.00 C ATOM 300 C GLY A 21 4.614 -17.246 7.496 1.00 0.00 C ATOM 301 O GLY A 21 3.948 -16.294 7.853 1.00 0.00 O ATOM 0 H GLY A 21 4.918 -19.583 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.685 -16.688 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.089 -17.345 5.402 1.00 0.00 H new ATOM 305 N ASP A 22 5.046 -18.129 8.355 1.00 0.00 N ATOM 306 CA ASP A 22 4.724 -17.979 9.802 1.00 0.00 C ATOM 307 C ASP A 22 5.810 -17.155 10.502 1.00 0.00 C ATOM 308 O ASP A 22 6.936 -17.086 10.052 1.00 0.00 O ATOM 309 CB ASP A 22 4.692 -19.404 10.353 1.00 0.00 C ATOM 310 CG ASP A 22 3.347 -20.050 10.014 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.556 -19.407 9.345 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.132 -21.177 10.429 1.00 0.00 O ATOM 0 H ASP A 22 5.607 -18.947 8.117 1.00 0.00 H new ATOM 0 HA ASP A 22 3.779 -17.461 9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.507 -19.989 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.840 -19.392 11.433 1.00 0.00 H new ATOM 317 N LEU A 23 5.479 -16.531 11.599 1.00 0.00 N ATOM 318 CA LEU A 23 6.492 -15.713 12.325 1.00 0.00 C ATOM 319 C LEU A 23 6.840 -16.370 13.664 1.00 0.00 C ATOM 320 O LEU A 23 6.006 -16.505 14.536 1.00 0.00 O ATOM 321 CB LEU A 23 5.820 -14.358 12.548 1.00 0.00 C ATOM 322 CG LEU A 23 6.858 -13.343 13.032 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.091 -13.402 12.128 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.257 -11.937 12.980 1.00 0.00 C ATOM 0 H LEU A 23 4.552 -16.552 12.024 1.00 0.00 H new ATOM 0 HA LEU A 23 7.424 -15.617 11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.362 -14.011 11.622 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.020 -14.454 13.283 1.00 0.00 H new ATOM 0 HG LEU A 23 7.147 -13.579 14.056 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.830 -12.679 12.473 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.520 -14.404 12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.803 -13.166 11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.995 -11.213 13.325 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.969 -11.702 11.955 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.378 -11.893 13.623 1.00 0.00 H new ATOM 336 N GLY A 24 8.068 -16.782 13.831 1.00 0.00 N ATOM 337 CA GLY A 24 8.470 -17.431 15.110 1.00 0.00 C ATOM 338 C GLY A 24 9.129 -16.398 16.026 1.00 0.00 C ATOM 339 O GLY A 24 10.179 -16.634 16.589 1.00 0.00 O ATOM 0 H GLY A 24 8.810 -16.697 13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.597 -17.862 15.600 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.162 -18.250 14.912 1.00 0.00 H new ATOM 343 N PHE A 25 8.522 -15.252 16.178 1.00 0.00 N ATOM 344 CA PHE A 25 9.109 -14.197 17.053 1.00 0.00 C ATOM 345 C PHE A 25 9.519 -14.775 18.410 1.00 0.00 C ATOM 346 O PHE A 25 9.252 -15.919 18.719 1.00 0.00 O ATOM 347 CB PHE A 25 7.987 -13.169 17.227 1.00 0.00 C ATOM 348 CG PHE A 25 6.746 -13.852 17.762 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.807 -14.399 16.877 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.533 -13.936 19.143 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.660 -15.030 17.373 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.385 -14.566 19.638 1.00 0.00 C ATOM 353 CZ PHE A 25 4.448 -15.113 18.752 1.00 0.00 C ATOM 0 H PHE A 25 7.640 -15.000 15.731 1.00 0.00 H new ATOM 0 HA PHE A 25 10.010 -13.763 16.619 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.304 -12.383 17.912 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.768 -12.691 16.272 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.968 -14.334 15.811 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.255 -13.515 19.827 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.938 -15.453 16.690 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.222 -14.630 20.704 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.562 -15.599 19.134 1.00 0.00 H new ATOM 363 N GLU A 26 10.168 -13.983 19.222 1.00 0.00 N ATOM 364 CA GLU A 26 10.599 -14.473 20.562 1.00 0.00 C ATOM 365 C GLU A 26 9.769 -13.802 21.663 1.00 0.00 C ATOM 366 O GLU A 26 8.914 -12.978 21.398 1.00 0.00 O ATOM 367 CB GLU A 26 12.071 -14.073 20.677 1.00 0.00 C ATOM 368 CG GLU A 26 12.879 -14.796 19.597 1.00 0.00 C ATOM 369 CD GLU A 26 14.366 -14.485 19.778 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.674 -13.591 20.550 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.171 -15.147 19.144 1.00 0.00 O ATOM 0 H GLU A 26 10.418 -13.016 19.014 1.00 0.00 H new ATOM 0 HA GLU A 26 10.461 -15.549 20.673 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.176 -12.994 20.564 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.453 -14.329 21.665 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.711 -15.871 19.661 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.548 -14.480 18.608 1.00 0.00 H new ATOM 378 N LYS A 27 10.018 -14.145 22.897 1.00 0.00 N ATOM 379 CA LYS A 27 9.244 -13.530 24.013 1.00 0.00 C ATOM 380 C LYS A 27 9.596 -12.047 24.154 1.00 0.00 C ATOM 381 O LYS A 27 10.746 -11.662 24.097 1.00 0.00 O ATOM 382 CB LYS A 27 9.673 -14.303 25.261 1.00 0.00 C ATOM 383 CG LYS A 27 8.925 -13.758 26.480 1.00 0.00 C ATOM 384 CD LYS A 27 9.013 -14.768 27.625 1.00 0.00 C ATOM 385 CE LYS A 27 10.362 -14.620 28.332 1.00 0.00 C ATOM 386 NZ LYS A 27 10.215 -13.403 29.180 1.00 0.00 N ATOM 0 H LYS A 27 10.724 -14.824 23.181 1.00 0.00 H new ATOM 0 HA LYS A 27 8.168 -13.583 23.846 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.461 -15.365 25.135 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.749 -14.208 25.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.355 -12.805 26.788 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.882 -13.570 26.226 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.200 -14.604 28.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.901 -15.782 27.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.591 -15.498 28.936 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.175 -14.507 27.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.995 -12.745 28.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.308 -12.940 28.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.239 -13.674 30.184 1.00 0.00 H new ATOM 400 N GLY A 28 8.610 -11.214 24.342 1.00 0.00 N ATOM 401 CA GLY A 28 8.882 -9.758 24.492 1.00 0.00 C ATOM 402 C GLY A 28 8.914 -9.095 23.114 1.00 0.00 C ATOM 403 O GLY A 28 8.867 -7.888 22.998 1.00 0.00 O ATOM 0 H GLY A 28 7.627 -11.480 24.398 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.112 -9.296 25.111 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.834 -9.607 25.001 1.00 0.00 H new ATOM 407 N GLU A 29 9.000 -9.872 22.067 1.00 0.00 N ATOM 408 CA GLU A 29 9.040 -9.269 20.703 1.00 0.00 C ATOM 409 C GLU A 29 7.740 -8.515 20.415 1.00 0.00 C ATOM 410 O GLU A 29 6.660 -9.067 20.492 1.00 0.00 O ATOM 411 CB GLU A 29 9.197 -10.453 19.750 1.00 0.00 C ATOM 412 CG GLU A 29 10.680 -10.803 19.614 1.00 0.00 C ATOM 413 CD GLU A 29 11.031 -10.975 18.134 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.116 -11.010 17.328 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.209 -11.071 17.832 1.00 0.00 O ATOM 0 H GLU A 29 9.044 -10.891 22.096 1.00 0.00 H new ATOM 0 HA GLU A 29 9.851 -8.549 20.596 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.642 -11.313 20.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.779 -10.206 18.774 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.292 -10.016 20.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.899 -11.721 20.160 1.00 0.00 H new ATOM 422 N GLN A 30 7.835 -7.257 20.079 1.00 0.00 N ATOM 423 CA GLN A 30 6.604 -6.470 19.781 1.00 0.00 C ATOM 424 C GLN A 30 6.125 -6.774 18.361 1.00 0.00 C ATOM 425 O GLN A 30 6.910 -6.847 17.435 1.00 0.00 O ATOM 426 CB GLN A 30 7.030 -5.007 19.903 1.00 0.00 C ATOM 427 CG GLN A 30 7.243 -4.658 21.377 1.00 0.00 C ATOM 428 CD GLN A 30 7.543 -3.163 21.510 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.915 -2.519 20.549 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.397 -2.582 22.669 1.00 0.00 N ATOM 0 H GLN A 30 8.711 -6.741 19.998 1.00 0.00 H new ATOM 0 HA GLN A 30 5.782 -6.710 20.455 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.949 -4.837 19.342 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.268 -4.358 19.471 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.355 -4.914 21.954 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.068 -5.243 21.785 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.085 -3.123 23.475 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.595 -1.586 22.769 1.00 0.00 H new ATOM 439 N LEU A 31 4.847 -6.957 18.176 1.00 0.00 N ATOM 440 CA LEU A 31 4.334 -7.262 16.810 1.00 0.00 C ATOM 441 C LEU A 31 3.050 -6.478 16.528 1.00 0.00 C ATOM 442 O LEU A 31 2.354 -6.056 17.432 1.00 0.00 O ATOM 443 CB LEU A 31 4.046 -8.765 16.816 1.00 0.00 C ATOM 444 CG LEU A 31 5.231 -9.521 17.424 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.811 -10.958 17.738 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.392 -9.537 16.429 1.00 0.00 C ATOM 0 H LEU A 31 4.138 -6.909 18.908 1.00 0.00 H new ATOM 0 HA LEU A 31 5.051 -6.984 16.037 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.141 -8.968 17.389 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.864 -9.113 15.799 1.00 0.00 H new ATOM 0 HG LEU A 31 5.546 -9.024 18.342 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.654 -11.497 18.171 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.983 -10.948 18.447 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.496 -11.454 16.820 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.235 -10.075 16.862 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.078 -10.034 15.511 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.692 -8.514 16.203 1.00 0.00 H new ATOM 458 N ARG A 32 2.725 -6.297 15.278 1.00 0.00 N ATOM 459 CA ARG A 32 1.479 -5.556 14.923 1.00 0.00 C ATOM 460 C ARG A 32 0.444 -6.545 14.381 1.00 0.00 C ATOM 461 O ARG A 32 0.758 -7.390 13.571 1.00 0.00 O ATOM 462 CB ARG A 32 1.889 -4.562 13.832 1.00 0.00 C ATOM 463 CG ARG A 32 3.264 -3.971 14.154 1.00 0.00 C ATOM 464 CD ARG A 32 3.519 -2.753 13.264 1.00 0.00 C ATOM 465 NE ARG A 32 2.310 -1.899 13.433 1.00 0.00 N ATOM 466 CZ ARG A 32 1.910 -1.134 12.454 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.870 0.161 12.613 1.00 0.00 N ATOM 468 NH2 ARG A 32 1.550 -1.664 11.317 1.00 0.00 N ATOM 0 H ARG A 32 3.270 -6.631 14.483 1.00 0.00 H new ATOM 0 HA ARG A 32 1.038 -5.046 15.779 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.916 -5.062 12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.149 -3.765 13.758 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.311 -3.683 15.204 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.040 -4.720 13.994 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.423 -2.224 13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.655 -3.045 12.223 1.00 0.00 H new ATOM 0 HE ARG A 32 1.795 -1.912 14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.151 0.575 13.502 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.558 0.759 11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.581 -2.676 11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.237 -1.066 10.552 1.00 0.00 H new ATOM 482 N ILE A 33 -0.781 -6.457 14.821 1.00 0.00 N ATOM 483 CA ILE A 33 -1.815 -7.411 14.324 1.00 0.00 C ATOM 484 C ILE A 33 -2.523 -6.848 13.089 1.00 0.00 C ATOM 485 O ILE A 33 -3.477 -6.101 13.194 1.00 0.00 O ATOM 486 CB ILE A 33 -2.800 -7.568 15.483 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.057 -8.083 16.718 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.892 -8.565 15.093 1.00 0.00 C ATOM 489 CD1 ILE A 33 -1.258 -9.334 16.347 1.00 0.00 C ATOM 0 H ILE A 33 -1.111 -5.770 15.499 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.379 -8.364 14.024 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.253 -6.602 15.708 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.389 -7.312 17.101 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.767 -8.314 17.513 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.594 -8.677 15.919 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.422 -8.199 14.214 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.439 -9.531 14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.728 -9.701 17.226 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.937 -10.105 15.984 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.538 -9.088 15.566 1.00 0.00 H new ATOM 501 N LEU A 34 -2.058 -7.193 11.920 1.00 0.00 N ATOM 502 CA LEU A 34 -2.696 -6.670 10.677 1.00 0.00 C ATOM 503 C LEU A 34 -3.974 -7.452 10.349 1.00 0.00 C ATOM 504 O LEU A 34 -4.898 -6.922 9.764 1.00 0.00 O ATOM 505 CB LEU A 34 -1.649 -6.875 9.581 1.00 0.00 C ATOM 506 CG LEU A 34 -0.329 -6.230 10.008 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.840 -7.095 9.531 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.218 -4.836 9.389 1.00 0.00 C ATOM 0 H LEU A 34 -1.263 -7.815 11.771 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.989 -5.625 10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.503 -7.939 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.995 -6.435 8.646 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.300 -6.148 11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.780 -6.636 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.762 -8.088 9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.812 -7.178 8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.722 -4.377 9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.247 -4.917 8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.050 -4.219 9.729 1.00 0.00 H new ATOM 520 N GLU A 35 -4.041 -8.705 10.715 1.00 0.00 N ATOM 521 CA GLU A 35 -5.268 -9.497 10.412 1.00 0.00 C ATOM 522 C GLU A 35 -5.770 -10.205 11.673 1.00 0.00 C ATOM 523 O GLU A 35 -4.995 -10.650 12.496 1.00 0.00 O ATOM 524 CB GLU A 35 -4.833 -10.516 9.358 1.00 0.00 C ATOM 525 CG GLU A 35 -4.166 -9.788 8.189 1.00 0.00 C ATOM 526 CD GLU A 35 -3.897 -10.780 7.057 1.00 0.00 C ATOM 527 OE1 GLU A 35 -3.938 -11.971 7.317 1.00 0.00 O ATOM 528 OE2 GLU A 35 -3.653 -10.332 5.948 1.00 0.00 O ATOM 0 H GLU A 35 -3.305 -9.211 11.207 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.086 -8.870 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.140 -11.235 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.696 -11.080 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.808 -8.981 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.232 -9.331 8.516 1.00 0.00 H new ATOM 535 N GLN A 36 -7.061 -10.311 11.829 1.00 0.00 N ATOM 536 CA GLN A 36 -7.614 -10.989 13.036 1.00 0.00 C ATOM 537 C GLN A 36 -8.790 -11.889 12.646 1.00 0.00 C ATOM 538 O GLN A 36 -9.882 -11.760 13.164 1.00 0.00 O ATOM 539 CB GLN A 36 -8.089 -9.855 13.944 1.00 0.00 C ATOM 540 CG GLN A 36 -9.155 -9.034 13.215 1.00 0.00 C ATOM 541 CD GLN A 36 -9.468 -7.773 14.022 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.574 -7.134 14.542 1.00 0.00 O ATOM 543 NE2 GLN A 36 -10.706 -7.384 14.148 1.00 0.00 N ATOM 0 H GLN A 36 -7.757 -9.957 11.173 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.876 -11.624 13.526 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.497 -10.262 14.869 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.248 -9.218 14.219 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.803 -8.763 12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.059 -9.628 13.083 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.456 -7.920 13.712 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.925 -6.543 14.683 1.00 0.00 H new ATOM 552 N SER A 37 -8.577 -12.801 11.737 1.00 0.00 N ATOM 553 CA SER A 37 -9.685 -13.706 11.314 1.00 0.00 C ATOM 554 C SER A 37 -9.305 -15.166 11.577 1.00 0.00 C ATOM 555 O SER A 37 -8.171 -15.564 11.400 1.00 0.00 O ATOM 556 CB SER A 37 -9.851 -13.455 9.816 1.00 0.00 C ATOM 557 OG SER A 37 -10.939 -14.224 9.325 1.00 0.00 O ATOM 0 H SER A 37 -7.685 -12.959 11.269 1.00 0.00 H new ATOM 0 HA SER A 37 -10.607 -13.515 11.863 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.028 -12.395 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.936 -13.722 9.288 1.00 0.00 H new ATOM 0 HG SER A 37 -11.047 -14.062 8.365 1.00 0.00 H new ATOM 563 N GLY A 38 -10.245 -15.967 11.998 1.00 0.00 N ATOM 564 CA GLY A 38 -9.937 -17.398 12.270 1.00 0.00 C ATOM 565 C GLY A 38 -9.165 -17.511 13.587 1.00 0.00 C ATOM 566 O GLY A 38 -8.954 -16.533 14.278 1.00 0.00 O ATOM 0 H GLY A 38 -11.213 -15.692 12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.860 -17.976 12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.348 -17.816 11.454 1.00 0.00 H new ATOM 570 N GLU A 39 -8.744 -18.693 13.939 1.00 0.00 N ATOM 571 CA GLU A 39 -7.986 -18.865 15.212 1.00 0.00 C ATOM 572 C GLU A 39 -6.594 -18.241 15.087 1.00 0.00 C ATOM 573 O GLU A 39 -6.009 -17.805 16.059 1.00 0.00 O ATOM 574 CB GLU A 39 -7.880 -20.377 15.409 1.00 0.00 C ATOM 575 CG GLU A 39 -9.281 -20.969 15.579 1.00 0.00 C ATOM 576 CD GLU A 39 -9.175 -22.482 15.782 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.081 -23.004 15.636 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.187 -23.093 16.081 1.00 0.00 O ATOM 0 H GLU A 39 -8.891 -19.548 13.402 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.478 -18.378 16.054 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.383 -20.832 14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.271 -20.598 16.286 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.780 -20.511 16.433 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.888 -20.751 14.701 1.00 0.00 H new ATOM 585 N TRP A 40 -6.059 -18.195 13.898 1.00 0.00 N ATOM 586 CA TRP A 40 -4.704 -17.599 13.713 1.00 0.00 C ATOM 587 C TRP A 40 -4.820 -16.168 13.181 1.00 0.00 C ATOM 588 O TRP A 40 -5.729 -15.842 12.443 1.00 0.00 O ATOM 589 CB TRP A 40 -4.014 -18.497 12.685 1.00 0.00 C ATOM 590 CG TRP A 40 -3.710 -19.822 13.305 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.500 -20.917 13.225 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.549 -20.211 14.095 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.897 -21.954 13.916 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.693 -21.567 14.470 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.397 -19.524 14.518 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.728 -22.220 15.237 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.423 -20.178 15.290 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.589 -21.523 15.650 1.00 0.00 C ATOM 0 H TRP A 40 -6.500 -18.544 13.047 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.147 -17.545 14.649 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.655 -18.630 11.814 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.094 -18.028 12.335 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.446 -20.973 12.707 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.294 -22.889 14.005 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.261 -18.487 14.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.860 -23.257 15.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.459 -19.642 15.608 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.162 -22.020 16.246 1.00 0.00 H new ATOM 609 N TRP A 41 -3.907 -15.313 13.550 1.00 0.00 N ATOM 610 CA TRP A 41 -3.963 -13.903 13.067 1.00 0.00 C ATOM 611 C TRP A 41 -2.653 -13.531 12.371 1.00 0.00 C ATOM 612 O TRP A 41 -1.616 -14.109 12.625 1.00 0.00 O ATOM 613 CB TRP A 41 -4.159 -13.062 14.328 1.00 0.00 C ATOM 614 CG TRP A 41 -5.522 -13.311 14.888 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.576 -13.785 14.184 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.999 -13.111 16.251 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.669 -13.885 15.025 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.363 -13.482 16.310 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.386 -12.646 17.428 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.093 -13.395 17.496 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.118 -12.559 18.624 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.469 -12.932 18.657 1.00 0.00 C ATOM 0 H TRP A 41 -3.123 -15.529 14.166 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.762 -13.745 12.343 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.399 -13.314 15.068 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.038 -12.004 14.095 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.565 -14.043 13.135 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.588 -14.216 14.732 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.346 -12.354 17.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.134 -13.684 17.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.637 -12.203 19.523 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.027 -12.861 19.579 1.00 0.00 H new ATOM 633 N LYS A 42 -2.691 -12.560 11.502 1.00 0.00 N ATOM 634 CA LYS A 42 -1.448 -12.138 10.797 1.00 0.00 C ATOM 635 C LYS A 42 -0.871 -10.900 11.482 1.00 0.00 C ATOM 636 O LYS A 42 -1.600 -10.061 11.974 1.00 0.00 O ATOM 637 CB LYS A 42 -1.891 -11.810 9.372 1.00 0.00 C ATOM 638 CG LYS A 42 -0.690 -11.907 8.428 1.00 0.00 C ATOM 639 CD LYS A 42 -1.096 -11.422 7.035 1.00 0.00 C ATOM 640 CE LYS A 42 0.140 -11.357 6.136 1.00 0.00 C ATOM 641 NZ LYS A 42 0.044 -12.564 5.268 1.00 0.00 N ATOM 0 H LYS A 42 -3.531 -12.039 11.249 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.675 -12.906 10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.673 -12.500 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.317 -10.807 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.135 -11.304 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.336 -12.937 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.836 -12.097 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.562 -10.439 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.150 -10.443 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.058 -11.365 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.970 -12.754 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.244 -13.382 5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.661 -12.400 4.522 1.00 0.00 H new ATOM 655 N ALA A 43 0.425 -10.774 11.529 1.00 0.00 N ATOM 656 CA ALA A 43 1.015 -9.581 12.199 1.00 0.00 C ATOM 657 C ALA A 43 2.441 -9.325 11.707 1.00 0.00 C ATOM 658 O ALA A 43 2.951 -10.016 10.848 1.00 0.00 O ATOM 659 CB ALA A 43 1.022 -9.936 13.686 1.00 0.00 C ATOM 0 H ALA A 43 1.095 -11.436 11.138 1.00 0.00 H new ATOM 0 HA ALA A 43 0.449 -8.674 11.988 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.443 -9.108 14.256 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.002 -10.125 14.020 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.626 -10.829 13.844 1.00 0.00 H new ATOM 665 N GLN A 44 3.089 -8.336 12.259 1.00 0.00 N ATOM 666 CA GLN A 44 4.487 -8.022 11.846 1.00 0.00 C ATOM 667 C GLN A 44 5.282 -7.548 13.065 1.00 0.00 C ATOM 668 O GLN A 44 4.727 -7.016 14.006 1.00 0.00 O ATOM 669 CB GLN A 44 4.360 -6.900 10.816 1.00 0.00 C ATOM 670 CG GLN A 44 5.755 -6.479 10.348 1.00 0.00 C ATOM 671 CD GLN A 44 5.637 -5.278 9.407 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.548 -4.878 9.047 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.721 -4.681 8.992 1.00 0.00 N ATOM 0 H GLN A 44 2.708 -7.728 12.983 1.00 0.00 H new ATOM 0 HA GLN A 44 5.007 -8.886 11.432 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.766 -7.237 9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.838 -6.048 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.376 -6.222 11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.244 -7.308 9.837 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.636 -5.017 9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.653 -3.879 8.366 1.00 0.00 H new ATOM 682 N SER A 45 6.571 -7.737 13.065 1.00 0.00 N ATOM 683 CA SER A 45 7.380 -7.297 14.237 1.00 0.00 C ATOM 684 C SER A 45 8.117 -5.994 13.921 1.00 0.00 C ATOM 685 O SER A 45 8.805 -5.882 12.927 1.00 0.00 O ATOM 686 CB SER A 45 8.376 -8.431 14.479 1.00 0.00 C ATOM 687 OG SER A 45 9.011 -8.244 15.734 1.00 0.00 O ATOM 0 H SER A 45 7.098 -8.174 12.309 1.00 0.00 H new ATOM 0 HA SER A 45 6.760 -7.102 15.112 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.861 -9.392 14.460 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.120 -8.452 13.683 1.00 0.00 H new ATOM 0 HG SER A 45 9.284 -9.113 16.095 1.00 0.00 H new ATOM 693 N LEU A 46 7.980 -5.008 14.765 1.00 0.00 N ATOM 694 CA LEU A 46 8.676 -3.713 14.518 1.00 0.00 C ATOM 695 C LEU A 46 10.120 -3.793 15.020 1.00 0.00 C ATOM 696 O LEU A 46 10.831 -2.807 15.057 1.00 0.00 O ATOM 697 CB LEU A 46 7.886 -2.678 15.320 1.00 0.00 C ATOM 698 CG LEU A 46 6.522 -2.456 14.665 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.788 -1.323 15.385 1.00 0.00 C ATOM 700 CD2 LEU A 46 6.715 -2.084 13.194 1.00 0.00 C ATOM 0 H LEU A 46 7.417 -5.043 15.615 1.00 0.00 H new ATOM 0 HA LEU A 46 8.718 -3.459 13.459 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.757 -3.020 16.347 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.437 -1.739 15.364 1.00 0.00 H new ATOM 0 HG LEU A 46 5.934 -3.371 14.734 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.816 -1.165 14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.648 -1.588 16.433 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.376 -0.408 15.318 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.742 -1.926 12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.304 -1.169 13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.237 -2.891 12.680 1.00 0.00 H new ATOM 712 N THR A 47 10.558 -4.961 15.405 1.00 0.00 N ATOM 713 CA THR A 47 11.955 -5.108 15.905 1.00 0.00 C ATOM 714 C THR A 47 12.860 -5.636 14.790 1.00 0.00 C ATOM 715 O THR A 47 13.975 -5.185 14.615 1.00 0.00 O ATOM 716 CB THR A 47 11.863 -6.120 17.047 1.00 0.00 C ATOM 717 OG1 THR A 47 11.649 -7.418 16.510 1.00 0.00 O ATOM 718 CG2 THR A 47 10.700 -5.749 17.968 1.00 0.00 C ATOM 0 H THR A 47 10.008 -5.820 15.395 1.00 0.00 H new ATOM 0 HA THR A 47 12.378 -4.160 16.236 1.00 0.00 H new ATOM 0 HB THR A 47 12.792 -6.110 17.617 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.698 -7.533 16.302 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.636 -6.471 18.782 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.865 -4.753 18.379 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.769 -5.758 17.401 1.00 0.00 H new ATOM 726 N THR A 48 12.390 -6.590 14.034 1.00 0.00 N ATOM 727 CA THR A 48 13.225 -7.148 12.932 1.00 0.00 C ATOM 728 C THR A 48 12.609 -6.796 11.575 1.00 0.00 C ATOM 729 O THR A 48 13.217 -6.982 10.540 1.00 0.00 O ATOM 730 CB THR A 48 13.212 -8.661 13.151 1.00 0.00 C ATOM 731 OG1 THR A 48 11.891 -9.153 12.969 1.00 0.00 O ATOM 732 CG2 THR A 48 13.686 -8.977 14.570 1.00 0.00 C ATOM 0 H THR A 48 11.464 -7.007 14.131 1.00 0.00 H new ATOM 0 HA THR A 48 14.238 -6.746 12.936 1.00 0.00 H new ATOM 0 HB THR A 48 13.879 -9.138 12.433 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.881 -10.123 13.107 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.676 -10.056 14.725 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.699 -8.600 14.708 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.021 -8.501 15.290 1.00 0.00 H new ATOM 740 N GLY A 49 11.406 -6.292 11.573 1.00 0.00 N ATOM 741 CA GLY A 49 10.751 -5.932 10.284 1.00 0.00 C ATOM 742 C GLY A 49 10.314 -7.209 9.565 1.00 0.00 C ATOM 743 O GLY A 49 10.416 -7.321 8.359 1.00 0.00 O ATOM 0 H GLY A 49 10.848 -6.114 12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.889 -5.291 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.441 -5.366 9.658 1.00 0.00 H new ATOM 747 N GLN A 50 9.827 -8.174 10.296 1.00 0.00 N ATOM 748 CA GLN A 50 9.385 -9.446 9.656 1.00 0.00 C ATOM 749 C GLN A 50 7.866 -9.596 9.772 1.00 0.00 C ATOM 750 O GLN A 50 7.272 -9.243 10.772 1.00 0.00 O ATOM 751 CB GLN A 50 10.095 -10.550 10.440 1.00 0.00 C ATOM 752 CG GLN A 50 9.827 -11.902 9.776 1.00 0.00 C ATOM 753 CD GLN A 50 10.594 -12.995 10.522 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.356 -12.710 11.425 1.00 0.00 O ATOM 755 NE2 GLN A 50 10.424 -14.243 10.181 1.00 0.00 N ATOM 0 H GLN A 50 9.716 -8.137 11.309 1.00 0.00 H new ATOM 0 HA GLN A 50 9.627 -9.481 8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.167 -10.355 10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.742 -10.563 11.471 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.759 -12.120 9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.136 -11.874 8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.784 -14.482 9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.931 -14.979 10.672 1.00 0.00 H new ATOM 764 N GLU A 51 7.234 -10.120 8.759 1.00 0.00 N ATOM 765 CA GLU A 51 5.754 -10.295 8.813 1.00 0.00 C ATOM 766 C GLU A 51 5.396 -11.781 8.716 1.00 0.00 C ATOM 767 O GLU A 51 5.953 -12.512 7.922 1.00 0.00 O ATOM 768 CB GLU A 51 5.222 -9.536 7.597 1.00 0.00 C ATOM 769 CG GLU A 51 3.698 -9.447 7.676 1.00 0.00 C ATOM 770 CD GLU A 51 3.168 -8.697 6.452 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.979 -8.263 5.650 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.960 -8.568 6.338 1.00 0.00 O ATOM 0 H GLU A 51 7.677 -10.435 7.896 1.00 0.00 H new ATOM 0 HA GLU A 51 5.326 -9.924 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.654 -8.536 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.520 -10.044 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.266 -10.447 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.400 -8.932 8.589 1.00 0.00 H new ATOM 779 N GLY A 52 4.474 -12.233 9.520 1.00 0.00 N ATOM 780 CA GLY A 52 4.088 -13.671 9.470 1.00 0.00 C ATOM 781 C GLY A 52 2.855 -13.905 10.346 1.00 0.00 C ATOM 782 O GLY A 52 2.491 -13.076 11.158 1.00 0.00 O ATOM 0 H GLY A 52 3.972 -11.671 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.877 -13.965 8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.915 -14.292 9.816 1.00 0.00 H new ATOM 786 N PHE A 53 2.211 -15.028 10.187 1.00 0.00 N ATOM 787 CA PHE A 53 1.002 -15.320 11.009 1.00 0.00 C ATOM 788 C PHE A 53 1.405 -15.596 12.460 1.00 0.00 C ATOM 789 O PHE A 53 2.446 -16.165 12.726 1.00 0.00 O ATOM 790 CB PHE A 53 0.386 -16.567 10.375 1.00 0.00 C ATOM 791 CG PHE A 53 -0.034 -16.257 8.958 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.223 -15.558 8.718 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.765 -16.669 7.885 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.612 -15.270 7.405 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.375 -16.381 6.572 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.813 -15.682 6.332 1.00 0.00 C ATOM 0 H PHE A 53 2.470 -15.757 9.523 1.00 0.00 H new ATOM 0 HA PHE A 53 0.302 -14.485 11.028 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.107 -17.385 10.381 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.475 -16.896 10.957 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.840 -15.241 9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.682 -17.209 8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.529 -14.730 7.220 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.991 -16.698 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.114 -15.460 5.319 1.00 0.00 H new ATOM 806 N ILE A 54 0.591 -15.200 13.399 1.00 0.00 N ATOM 807 CA ILE A 54 0.931 -15.442 14.831 1.00 0.00 C ATOM 808 C ILE A 54 -0.303 -15.932 15.592 1.00 0.00 C ATOM 809 O ILE A 54 -1.399 -15.451 15.375 1.00 0.00 O ATOM 810 CB ILE A 54 1.386 -14.083 15.365 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.218 -13.096 15.315 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.537 -13.556 14.504 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.158 -12.679 16.738 1.00 0.00 C ATOM 0 H ILE A 54 -0.294 -14.720 13.238 1.00 0.00 H new ATOM 0 HA ILE A 54 1.700 -16.205 14.950 1.00 0.00 H new ATOM 0 HB ILE A 54 1.723 -14.193 16.396 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.493 -12.220 14.728 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.638 -13.554 14.820 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.862 -12.587 14.884 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.370 -14.258 14.541 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.200 -13.447 13.473 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.990 -11.976 16.703 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.451 -13.560 17.310 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.699 -12.204 17.216 1.00 0.00 H new ATOM 825 N PRO A 55 -0.080 -16.876 16.464 1.00 0.00 N ATOM 826 CA PRO A 55 -1.219 -17.411 17.251 1.00 0.00 C ATOM 827 C PRO A 55 -1.784 -16.321 18.165 1.00 0.00 C ATOM 828 O PRO A 55 -1.078 -15.434 18.602 1.00 0.00 O ATOM 829 CB PRO A 55 -0.608 -18.545 18.066 1.00 0.00 C ATOM 830 CG PRO A 55 0.840 -18.202 18.179 1.00 0.00 C ATOM 831 CD PRO A 55 1.203 -17.392 16.960 1.00 0.00 C ATOM 0 HA PRO A 55 -2.046 -17.751 16.628 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.074 -18.620 19.049 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.749 -19.506 17.572 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.031 -17.634 19.089 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.446 -19.106 18.235 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.886 -16.581 17.212 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.700 -18.006 16.209 1.00 0.00 H new ATOM 839 N PHE A 56 -3.055 -16.376 18.446 1.00 0.00 N ATOM 840 CA PHE A 56 -3.673 -15.338 19.321 1.00 0.00 C ATOM 841 C PHE A 56 -3.304 -15.570 20.790 1.00 0.00 C ATOM 842 O PHE A 56 -3.638 -14.779 21.650 1.00 0.00 O ATOM 843 CB PHE A 56 -5.178 -15.507 19.120 1.00 0.00 C ATOM 844 CG PHE A 56 -5.632 -16.784 19.787 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.589 -17.995 19.085 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.095 -16.757 21.108 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.010 -19.178 19.704 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.515 -17.940 21.726 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.473 -19.150 21.024 1.00 0.00 C ATOM 0 H PHE A 56 -3.695 -17.095 18.108 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.328 -14.335 19.069 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.710 -14.654 19.541 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.413 -15.536 18.056 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.231 -18.016 18.066 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.128 -15.823 21.650 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.977 -20.112 19.163 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.872 -17.919 22.745 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.798 -20.063 21.501 1.00 0.00 H new ATOM 859 N ASN A 57 -2.630 -16.647 21.093 1.00 0.00 N ATOM 860 CA ASN A 57 -2.265 -16.914 22.515 1.00 0.00 C ATOM 861 C ASN A 57 -0.848 -16.414 22.823 1.00 0.00 C ATOM 862 O ASN A 57 -0.524 -16.110 23.954 1.00 0.00 O ATOM 863 CB ASN A 57 -2.336 -18.435 22.660 1.00 0.00 C ATOM 864 CG ASN A 57 -2.223 -18.812 24.138 1.00 0.00 C ATOM 865 OD1 ASN A 57 -3.064 -18.448 24.936 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.213 -19.532 24.540 1.00 0.00 N ATOM 0 H ASN A 57 -2.318 -17.349 20.423 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.931 -16.399 23.207 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.275 -18.807 22.250 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.532 -18.903 22.092 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.129 -19.789 25.523 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.507 -19.838 23.871 1.00 0.00 H new ATOM 873 N PHE A 58 0.003 -16.330 21.836 1.00 0.00 N ATOM 874 CA PHE A 58 1.393 -15.853 22.099 1.00 0.00 C ATOM 875 C PHE A 58 1.435 -14.324 22.139 1.00 0.00 C ATOM 876 O PHE A 58 2.476 -13.728 22.339 1.00 0.00 O ATOM 877 CB PHE A 58 2.233 -16.382 20.936 1.00 0.00 C ATOM 878 CG PHE A 58 2.437 -17.871 21.095 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.335 -18.734 21.103 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.732 -18.386 21.235 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.528 -20.113 21.251 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.924 -19.765 21.383 1.00 0.00 C ATOM 883 CZ PHE A 58 2.822 -20.628 21.392 1.00 0.00 C ATOM 0 H PHE A 58 -0.201 -16.569 20.866 1.00 0.00 H new ATOM 0 HA PHE A 58 1.767 -16.205 23.060 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.735 -16.172 19.989 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.197 -15.873 20.909 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.337 -18.337 20.995 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.582 -17.720 21.229 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.678 -20.779 21.256 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.922 -20.163 21.490 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.970 -21.692 21.508 1.00 0.00 H new ATOM 893 N VAL A 59 0.314 -13.683 21.954 1.00 0.00 N ATOM 894 CA VAL A 59 0.298 -12.192 21.984 1.00 0.00 C ATOM 895 C VAL A 59 -0.978 -11.693 22.669 1.00 0.00 C ATOM 896 O VAL A 59 -1.989 -12.365 22.681 1.00 0.00 O ATOM 897 CB VAL A 59 0.324 -11.763 20.517 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.562 -12.351 19.834 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.935 -12.272 19.814 1.00 0.00 C ATOM 0 H VAL A 59 -0.589 -14.125 21.784 1.00 0.00 H new ATOM 0 HA VAL A 59 1.140 -11.781 22.541 1.00 0.00 H new ATOM 0 HB VAL A 59 0.359 -10.675 20.458 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.580 -12.045 18.788 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.460 -11.988 20.334 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.528 -13.439 19.893 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.917 -11.966 18.768 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.970 -13.360 19.873 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.817 -11.853 20.299 1.00 0.00 H new ATOM 909 N ALA A 60 -0.939 -10.519 23.237 1.00 0.00 N ATOM 910 CA ALA A 60 -2.152 -9.982 23.920 1.00 0.00 C ATOM 911 C ALA A 60 -2.185 -8.454 23.817 1.00 0.00 C ATOM 912 O ALA A 60 -1.172 -7.813 23.624 1.00 0.00 O ATOM 913 CB ALA A 60 -2.011 -10.418 25.378 1.00 0.00 C ATOM 0 H ALA A 60 -0.122 -9.909 23.258 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.075 -10.350 23.472 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.868 -10.060 25.949 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.969 -11.506 25.430 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.096 -9.999 25.796 1.00 0.00 H new ATOM 919 N LYS A 61 -3.344 -7.867 23.946 1.00 0.00 N ATOM 920 CA LYS A 61 -3.441 -6.381 23.858 1.00 0.00 C ATOM 921 C LYS A 61 -2.751 -5.733 25.060 1.00 0.00 C ATOM 922 O LYS A 61 -3.080 -6.006 26.198 1.00 0.00 O ATOM 923 CB LYS A 61 -4.940 -6.080 23.874 1.00 0.00 C ATOM 924 CG LYS A 61 -5.596 -6.679 22.628 1.00 0.00 C ATOM 925 CD LYS A 61 -7.060 -6.241 22.562 1.00 0.00 C ATOM 926 CE LYS A 61 -7.753 -6.950 21.397 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.461 -5.868 20.657 1.00 0.00 N ATOM 0 H LYS A 61 -4.227 -8.351 24.108 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.956 -5.988 22.964 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.395 -6.496 24.773 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.105 -5.003 23.902 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.067 -6.352 21.733 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.532 -7.767 22.657 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.564 -6.479 23.498 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.122 -5.160 22.433 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.031 -7.459 20.758 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.451 -7.707 21.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.962 -6.275 19.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.146 -5.406 21.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.770 -5.166 20.324 1.00 0.00 H new ATOM 941 N ALA A 62 -1.795 -4.877 24.820 1.00 0.00 N ATOM 942 CA ALA A 62 -1.085 -4.214 25.951 1.00 0.00 C ATOM 943 C ALA A 62 -2.073 -3.398 26.789 1.00 0.00 C ATOM 944 O ALA A 62 -1.894 -3.219 27.978 1.00 0.00 O ATOM 945 CB ALA A 62 -0.057 -3.297 25.289 1.00 0.00 C ATOM 0 H ALA A 62 -1.475 -4.608 23.890 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.616 -4.932 26.624 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.509 -2.771 26.057 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.624 -3.893 24.681 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.570 -2.573 24.656 1.00 0.00 H new ATOM 951 N ASN A 63 -3.114 -2.901 26.180 1.00 0.00 N ATOM 952 CA ASN A 63 -4.111 -2.096 26.942 1.00 0.00 C ATOM 953 C ASN A 63 -5.111 -3.020 27.644 1.00 0.00 C ATOM 954 O ASN A 63 -5.542 -3.975 27.020 1.00 0.00 O ATOM 955 CB ASN A 63 -4.818 -1.241 25.890 1.00 0.00 C ATOM 956 CG ASN A 63 -5.534 -0.077 26.575 1.00 0.00 C ATOM 957 OD1 ASN A 63 -5.245 0.247 27.710 1.00 0.00 O ATOM 958 ND2 ASN A 63 -6.465 0.573 25.929 1.00 0.00 N ATOM 959 OXT ASN A 63 -5.427 -2.755 28.791 1.00 0.00 O ATOM 0 H ASN A 63 -3.318 -3.017 25.187 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.645 -1.486 27.716 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.095 -0.862 25.168 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.535 -1.847 25.336 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.948 1.351 26.377 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.709 0.302 24.976 1.00 0.00 H new TER 966 ASN A 63