USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 63 GLN : amide:sc= 0.36 K(o=-1.3,f=-3.2) USER MOD Set 1.2: A 96 THR OG1 : rot -160:sc= -1.63! USER MOD Single : A 17 ASN : amide:sc= -1.94! C(o=-1.9!,f=-4.8!) USER MOD Single : A 22 GLN : amide:sc=-0.00019 X(o=-0.00019,f=-0.083) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0416 F(o=-1.2,f=-0.042) USER MOD Single : A 29 MET CE :methyl -156:sc= -0.25 (180deg=-1.57!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 33 ASN : amide:sc= -11! C(o=-11!,f=-21!) USER MOD Single : A 36 SER OG : rot -88:sc= -0.117 USER MOD Single : A 37 ASN :FLIP amide:sc= -2.79! C(o=-4.5!,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 103:sc= -0.558! USER MOD Single : A 42 SER OG : rot 90:sc= 0.00846 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00514 X(o=-0.0051,f=-0.23) USER MOD Single : A 56 SER OG : rot -81:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= -0.0218 (180deg=-1.02) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 76:sc= -0.621! USER MOD Single : A 70 THR OG1 : rot -147:sc= 0.0832 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -74:sc= 0.23 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0597 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -47:sc= 0.305 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.13 F(o=-1.8!,f=-1.1) USER MOD Single : A 89 MET CE :methyl -152:sc= -0.682 (180deg=-3.14!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 77:sc= 0.804 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -5.75! C(o=-5.8!,f=-10!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 109:sc= 1.21 USER MOD Single : A 114 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0191) USER MOD Single : A 116 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -18.639 -2.955 14.497 1.00 0.00 N ATOM 2 CA GLY A 9 -18.804 -1.582 15.151 1.00 0.00 C ATOM 3 C GLY A 9 -17.611 -0.905 15.734 1.00 0.00 C ATOM 4 O GLY A 9 -17.668 0.247 16.118 1.00 0.00 O ATOM 0 HA2 GLY A 9 -19.229 -0.912 14.404 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.544 -1.684 15.945 1.00 0.00 H new ATOM 7 N ALA A 10 -16.507 -1.594 15.819 1.00 0.00 N ATOM 8 CA ALA A 10 -15.284 -0.968 16.395 1.00 0.00 C ATOM 9 C ALA A 10 -14.081 -1.265 15.497 1.00 0.00 C ATOM 10 O ALA A 10 -14.082 -2.232 14.760 1.00 0.00 O ATOM 11 CB ALA A 10 -15.025 -1.538 17.790 1.00 0.00 C ATOM 0 H ALA A 10 -16.399 -2.562 15.515 1.00 0.00 H new ATOM 0 HA ALA A 10 -15.431 0.110 16.462 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.130 -1.079 18.210 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.878 -1.325 18.434 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.882 -2.616 17.722 1.00 0.00 H new ATOM 17 N PRO A 11 -13.088 -0.421 15.591 1.00 0.00 N ATOM 18 CA PRO A 11 -11.827 -0.539 14.802 1.00 0.00 C ATOM 19 C PRO A 11 -10.868 -1.527 15.474 1.00 0.00 C ATOM 20 O PRO A 11 -10.521 -1.383 16.629 1.00 0.00 O ATOM 21 CB PRO A 11 -11.266 0.876 14.842 1.00 0.00 C ATOM 22 CG PRO A 11 -11.847 1.555 16.080 1.00 0.00 C ATOM 23 CD PRO A 11 -13.094 0.770 16.500 1.00 0.00 C ATOM 0 HA PRO A 11 -11.979 -0.910 13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.177 0.857 14.888 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.537 1.424 13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.115 1.570 16.887 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.103 2.592 15.863 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.046 0.474 17.548 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.000 1.363 16.377 1.00 0.00 H new ATOM 31 N VAL A 12 -10.440 -2.533 14.760 1.00 0.00 N ATOM 32 CA VAL A 12 -9.507 -3.532 15.354 1.00 0.00 C ATOM 33 C VAL A 12 -8.434 -3.892 14.323 1.00 0.00 C ATOM 34 O VAL A 12 -8.611 -3.661 13.145 1.00 0.00 O ATOM 35 CB VAL A 12 -10.288 -4.791 15.737 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.148 -4.505 16.971 1.00 0.00 C ATOM 37 CG2 VAL A 12 -11.191 -5.203 14.573 1.00 0.00 C ATOM 0 H VAL A 12 -10.697 -2.706 13.788 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.036 -3.113 16.243 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.589 -5.597 15.961 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.704 -5.402 17.243 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.506 -4.210 17.801 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.847 -3.699 16.748 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.748 -6.100 14.844 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.889 -4.396 14.351 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.580 -5.407 13.694 1.00 0.00 H new ATOM 47 N PRO A 13 -7.355 -4.452 14.798 1.00 0.00 N ATOM 48 CA PRO A 13 -6.206 -4.871 13.938 1.00 0.00 C ATOM 49 C PRO A 13 -6.527 -6.181 13.215 1.00 0.00 C ATOM 50 O PRO A 13 -7.331 -6.970 13.670 1.00 0.00 O ATOM 51 CB PRO A 13 -5.073 -5.057 14.939 1.00 0.00 C ATOM 52 CG PRO A 13 -5.717 -5.325 16.295 1.00 0.00 C ATOM 53 CD PRO A 13 -7.138 -4.749 16.249 1.00 0.00 C ATOM 0 HA PRO A 13 -5.964 -4.152 13.155 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.431 -5.888 14.646 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.444 -4.168 14.980 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.743 -6.395 16.503 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.139 -4.859 17.093 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.871 -5.462 16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.225 -3.850 16.859 1.00 0.00 H new ATOM 61 N VAL A 14 -5.909 -6.420 12.091 1.00 0.00 N ATOM 62 CA VAL A 14 -6.186 -7.680 11.342 1.00 0.00 C ATOM 63 C VAL A 14 -5.099 -8.714 11.646 1.00 0.00 C ATOM 64 O VAL A 14 -3.930 -8.395 11.735 1.00 0.00 O ATOM 65 CB VAL A 14 -6.209 -7.406 9.845 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.948 -8.541 9.132 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.907 -6.070 9.542 1.00 0.00 C ATOM 0 H VAL A 14 -5.225 -5.799 11.659 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.157 -8.065 11.654 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.181 -7.347 9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.966 -8.347 8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.436 -9.484 9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.970 -8.602 9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.910 -5.897 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.933 -6.105 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.373 -5.260 10.038 1.00 0.00 H new ATOM 77 N ASP A 15 -5.479 -9.954 11.801 1.00 0.00 N ATOM 78 CA ASP A 15 -4.468 -11.012 12.098 1.00 0.00 C ATOM 79 C ASP A 15 -3.797 -11.453 10.794 1.00 0.00 C ATOM 80 O ASP A 15 -4.452 -11.721 9.806 1.00 0.00 O ATOM 81 CB ASP A 15 -5.156 -12.221 12.757 1.00 0.00 C ATOM 82 CG ASP A 15 -6.526 -12.454 12.113 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.656 -12.192 10.930 1.00 0.00 O ATOM 84 OD2 ASP A 15 -7.421 -12.892 12.818 1.00 0.00 O ATOM 0 H ASP A 15 -6.443 -10.280 11.735 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.717 -10.612 12.779 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.535 -13.110 12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.272 -12.046 13.827 1.00 0.00 H new ATOM 89 N GLU A 16 -2.493 -11.535 10.782 1.00 0.00 N ATOM 90 CA GLU A 16 -1.784 -11.962 9.542 1.00 0.00 C ATOM 91 C GLU A 16 -1.896 -13.482 9.390 1.00 0.00 C ATOM 92 O GLU A 16 -1.349 -14.064 8.474 1.00 0.00 O ATOM 93 CB GLU A 16 -0.309 -11.561 9.633 1.00 0.00 C ATOM 94 CG GLU A 16 0.332 -12.238 10.847 1.00 0.00 C ATOM 95 CD GLU A 16 0.507 -11.209 11.965 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.682 -10.044 11.647 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.465 -11.603 13.119 1.00 0.00 O ATOM 0 H GLU A 16 -1.889 -11.325 11.577 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.237 -11.477 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.215 -11.853 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.221 -10.478 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.293 -13.062 11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.298 -12.663 10.573 1.00 0.00 H new ATOM 104 N ASN A 17 -2.598 -14.131 10.280 1.00 0.00 N ATOM 105 CA ASN A 17 -2.745 -15.605 10.193 1.00 0.00 C ATOM 106 C ASN A 17 -3.673 -15.969 9.028 1.00 0.00 C ATOM 107 O ASN A 17 -3.624 -17.067 8.508 1.00 0.00 O ATOM 108 CB ASN A 17 -3.340 -16.113 11.502 1.00 0.00 C ATOM 109 CG ASN A 17 -2.645 -15.420 12.677 1.00 0.00 C ATOM 110 OD1 ASN A 17 -3.241 -14.611 13.362 1.00 0.00 O ATOM 111 ND2 ASN A 17 -1.399 -15.707 12.941 1.00 0.00 N ATOM 0 H ASN A 17 -3.078 -13.696 11.068 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.771 -16.064 10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.411 -15.913 11.529 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.215 -17.193 11.577 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.925 -15.253 13.722 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.899 -16.386 12.366 1.00 0.00 H new ATOM 118 N ASP A 18 -4.519 -15.063 8.617 1.00 0.00 N ATOM 119 CA ASP A 18 -5.447 -15.368 7.489 1.00 0.00 C ATOM 120 C ASP A 18 -4.772 -15.020 6.159 1.00 0.00 C ATOM 121 O ASP A 18 -4.280 -13.924 5.971 1.00 0.00 O ATOM 122 CB ASP A 18 -6.726 -14.545 7.644 1.00 0.00 C ATOM 123 CG ASP A 18 -7.781 -15.048 6.657 1.00 0.00 C ATOM 124 OD1 ASP A 18 -7.477 -15.958 5.904 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.879 -14.515 6.672 1.00 0.00 O ATOM 0 H ASP A 18 -4.608 -14.127 9.012 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.694 -16.429 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.101 -14.625 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.517 -13.491 7.463 1.00 0.00 H new ATOM 130 N GLU A 19 -4.740 -15.945 5.237 1.00 0.00 N ATOM 131 CA GLU A 19 -4.090 -15.670 3.922 1.00 0.00 C ATOM 132 C GLU A 19 -5.086 -14.952 2.987 1.00 0.00 C ATOM 133 O GLU A 19 -4.775 -14.655 1.850 1.00 0.00 O ATOM 134 CB GLU A 19 -3.619 -17.013 3.317 1.00 0.00 C ATOM 135 CG GLU A 19 -3.714 -16.996 1.791 1.00 0.00 C ATOM 136 CD GLU A 19 -2.697 -16.003 1.220 1.00 0.00 C ATOM 137 OE1 GLU A 19 -2.020 -15.360 2.006 1.00 0.00 O ATOM 138 OE2 GLU A 19 -2.614 -15.903 0.007 1.00 0.00 O ATOM 0 H GLU A 19 -5.136 -16.880 5.337 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.227 -15.017 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.590 -17.209 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.227 -17.826 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.525 -17.993 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.722 -16.717 1.483 1.00 0.00 H new ATOM 145 N GLY A 20 -6.275 -14.665 3.450 1.00 0.00 N ATOM 146 CA GLY A 20 -7.264 -13.971 2.577 1.00 0.00 C ATOM 147 C GLY A 20 -6.854 -12.508 2.385 1.00 0.00 C ATOM 148 O GLY A 20 -7.064 -11.929 1.338 1.00 0.00 O ATOM 0 H GLY A 20 -6.602 -14.881 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.323 -14.471 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.257 -14.024 3.024 1.00 0.00 H new ATOM 152 N LEU A 21 -6.273 -11.902 3.386 1.00 0.00 N ATOM 153 CA LEU A 21 -5.857 -10.478 3.256 1.00 0.00 C ATOM 154 C LEU A 21 -4.659 -10.373 2.306 1.00 0.00 C ATOM 155 O LEU A 21 -4.332 -9.308 1.824 1.00 0.00 O ATOM 156 CB LEU A 21 -5.468 -9.945 4.634 1.00 0.00 C ATOM 157 CG LEU A 21 -5.064 -8.477 4.527 1.00 0.00 C ATOM 158 CD1 LEU A 21 -6.317 -7.612 4.374 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.319 -8.075 5.800 1.00 0.00 C ATOM 0 H LEU A 21 -6.069 -12.333 4.288 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.682 -9.891 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.305 -10.052 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.643 -10.530 5.040 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.420 -8.333 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.028 -6.564 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.855 -7.907 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.962 -7.748 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.025 -7.027 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.970 -8.216 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.429 -8.695 5.912 1.00 0.00 H new ATOM 171 N GLN A 22 -3.999 -11.467 2.033 1.00 0.00 N ATOM 172 CA GLN A 22 -2.831 -11.420 1.120 1.00 0.00 C ATOM 173 C GLN A 22 -3.284 -10.977 -0.271 1.00 0.00 C ATOM 174 O GLN A 22 -2.481 -10.642 -1.120 1.00 0.00 O ATOM 175 CB GLN A 22 -2.171 -12.798 1.061 1.00 0.00 C ATOM 176 CG GLN A 22 -0.713 -12.631 0.652 1.00 0.00 C ATOM 177 CD GLN A 22 -0.413 -13.518 -0.559 1.00 0.00 C ATOM 178 OE1 GLN A 22 -1.095 -13.447 -1.562 1.00 0.00 O ATOM 179 NE2 GLN A 22 0.588 -14.354 -0.508 1.00 0.00 N ATOM 0 H GLN A 22 -4.222 -12.390 2.406 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.102 -10.701 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.236 -13.289 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.692 -13.435 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.510 -11.588 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.059 -12.899 1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.160 -14.413 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.798 -14.948 -1.310 1.00 0.00 H new ATOM 188 N ARG A 23 -4.569 -10.961 -0.511 1.00 0.00 N ATOM 189 CA ARG A 23 -5.070 -10.526 -1.847 1.00 0.00 C ATOM 190 C ARG A 23 -5.216 -9.006 -1.847 1.00 0.00 C ATOM 191 O ARG A 23 -4.773 -8.329 -2.755 1.00 0.00 O ATOM 192 CB ARG A 23 -6.432 -11.170 -2.117 1.00 0.00 C ATOM 193 CG ARG A 23 -6.947 -10.722 -3.488 1.00 0.00 C ATOM 194 CD ARG A 23 -8.045 -11.679 -3.954 1.00 0.00 C ATOM 195 NE ARG A 23 -9.336 -11.305 -3.315 1.00 0.00 N ATOM 196 CZ ARG A 23 -10.078 -12.223 -2.758 1.00 0.00 C ATOM 197 NH1 ARG A 23 -9.703 -12.774 -1.635 1.00 0.00 N ATOM 198 NH2 ARG A 23 -11.194 -12.593 -3.325 1.00 0.00 N ATOM 0 H ARG A 23 -5.291 -11.229 0.158 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.369 -10.832 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.345 -12.256 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.141 -10.885 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.336 -9.706 -3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.130 -10.709 -4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.140 -11.639 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.782 -12.704 -3.694 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.641 -10.332 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.830 -12.487 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.283 -13.491 -1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.486 -12.165 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.774 -13.310 -2.890 1.00 0.00 H new ATOM 212 N ALA A 24 -5.828 -8.463 -0.832 1.00 0.00 N ATOM 213 CA ALA A 24 -5.999 -6.990 -0.762 1.00 0.00 C ATOM 214 C ALA A 24 -4.629 -6.315 -0.849 1.00 0.00 C ATOM 215 O ALA A 24 -4.522 -5.133 -1.115 1.00 0.00 O ATOM 216 CB ALA A 24 -6.664 -6.616 0.563 1.00 0.00 C ATOM 0 H ALA A 24 -6.218 -8.981 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.624 -6.657 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.790 -5.534 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.639 -7.098 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.038 -6.948 1.391 1.00 0.00 H new ATOM 222 N LEU A 25 -3.577 -7.056 -0.623 1.00 0.00 N ATOM 223 CA LEU A 25 -2.220 -6.474 -0.685 1.00 0.00 C ATOM 224 C LEU A 25 -1.839 -6.241 -2.151 1.00 0.00 C ATOM 225 O LEU A 25 -1.227 -5.247 -2.492 1.00 0.00 O ATOM 226 CB LEU A 25 -1.261 -7.458 0.003 1.00 0.00 C ATOM 227 CG LEU A 25 0.166 -7.289 -0.508 1.00 0.00 C ATOM 228 CD1 LEU A 25 0.272 -8.008 -1.848 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.506 -5.804 -0.677 1.00 0.00 C ATOM 0 H LEU A 25 -3.608 -8.050 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.170 -5.512 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.285 -7.299 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.595 -8.480 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 25 0.871 -7.712 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.284 -7.903 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.043 -9.065 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.435 -7.570 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.528 -5.704 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.181 -5.353 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.413 -5.298 0.284 1.00 0.00 H new ATOM 241 N GLN A 26 -2.210 -7.136 -3.026 1.00 0.00 N ATOM 242 CA GLN A 26 -1.877 -6.946 -4.470 1.00 0.00 C ATOM 243 C GLN A 26 -2.595 -5.685 -4.962 1.00 0.00 C ATOM 244 O GLN A 26 -2.006 -4.824 -5.585 1.00 0.00 O ATOM 245 CB GLN A 26 -2.354 -8.174 -5.290 1.00 0.00 C ATOM 246 CG GLN A 26 -1.357 -9.350 -5.176 1.00 0.00 C ATOM 247 CD GLN A 26 -1.477 -10.245 -6.420 1.00 0.00 C ATOM 248 OE1 GLN A 26 -2.504 -10.119 -7.222 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -0.620 -11.070 -6.666 1.00 0.00 N flip ATOM 0 H GLN A 26 -2.727 -7.987 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.799 -6.843 -4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.335 -8.491 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.469 -7.892 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.339 -8.971 -5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.563 -9.930 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.182 -11.173 -6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.703 -11.660 -7.494 1.00 0.00 H new ATOM 258 N PHE A 27 -3.857 -5.568 -4.666 1.00 0.00 N ATOM 259 CA PHE A 27 -4.626 -4.352 -5.089 1.00 0.00 C ATOM 260 C PHE A 27 -3.767 -3.123 -4.854 1.00 0.00 C ATOM 261 O PHE A 27 -3.677 -2.233 -5.676 1.00 0.00 O ATOM 262 CB PHE A 27 -5.885 -4.192 -4.245 1.00 0.00 C ATOM 263 CG PHE A 27 -7.069 -3.854 -5.120 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.896 -3.043 -6.251 1.00 0.00 C ATOM 265 CD2 PHE A 27 -8.344 -4.324 -4.785 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.999 -2.708 -7.045 1.00 0.00 C ATOM 267 CE2 PHE A 27 -9.448 -3.980 -5.577 1.00 0.00 C ATOM 268 CZ PHE A 27 -9.273 -3.174 -6.706 1.00 0.00 C ATOM 0 H PHE A 27 -4.397 -6.261 -4.148 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.894 -4.462 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.082 -5.113 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.736 -3.406 -3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.913 -2.677 -6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.477 -4.952 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.866 -2.089 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.433 -4.337 -5.315 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.123 -2.911 -7.317 1.00 0.00 H new ATOM 278 N ALA A 28 -3.155 -3.070 -3.714 1.00 0.00 N ATOM 279 CA ALA A 28 -2.307 -1.902 -3.369 1.00 0.00 C ATOM 280 C ALA A 28 -1.130 -1.802 -4.342 1.00 0.00 C ATOM 281 O ALA A 28 -0.851 -0.752 -4.886 1.00 0.00 O ATOM 282 CB ALA A 28 -1.795 -2.084 -1.946 1.00 0.00 C ATOM 0 H ALA A 28 -3.205 -3.793 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.890 -0.984 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.169 -1.235 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.640 -2.147 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.209 -3.001 -1.885 1.00 0.00 H new ATOM 288 N MET A 29 -0.439 -2.883 -4.568 1.00 0.00 N ATOM 289 CA MET A 29 0.718 -2.847 -5.507 1.00 0.00 C ATOM 290 C MET A 29 0.240 -2.400 -6.892 1.00 0.00 C ATOM 291 O MET A 29 1.028 -2.030 -7.740 1.00 0.00 O ATOM 292 CB MET A 29 1.337 -4.241 -5.605 1.00 0.00 C ATOM 293 CG MET A 29 1.638 -4.765 -4.199 1.00 0.00 C ATOM 294 SD MET A 29 2.624 -3.541 -3.299 1.00 0.00 S ATOM 295 CE MET A 29 3.999 -3.452 -4.472 1.00 0.00 C ATOM 0 H MET A 29 -0.625 -3.792 -4.143 1.00 0.00 H new ATOM 0 HA MET A 29 1.464 -2.143 -5.138 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.655 -4.918 -6.119 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.253 -4.203 -6.195 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.708 -4.962 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.178 -5.710 -4.259 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.896 -3.108 -3.956 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.180 -4.440 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.751 -2.754 -5.272 1.00 0.00 H new ATOM 305 N ALA A 30 -1.044 -2.430 -7.129 1.00 0.00 N ATOM 306 CA ALA A 30 -1.560 -2.004 -8.461 1.00 0.00 C ATOM 307 C ALA A 30 -1.730 -0.486 -8.480 1.00 0.00 C ATOM 308 O ALA A 30 -1.190 0.194 -9.325 1.00 0.00 O ATOM 309 CB ALA A 30 -2.908 -2.674 -8.730 1.00 0.00 C ATOM 0 H ALA A 30 -1.754 -2.730 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.851 -2.300 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.282 -2.360 -9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.784 -3.757 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.620 -2.383 -7.957 1.00 0.00 H new ATOM 315 N GLU A 31 -2.465 0.068 -7.556 1.00 0.00 N ATOM 316 CA GLU A 31 -2.625 1.550 -7.556 1.00 0.00 C ATOM 317 C GLU A 31 -1.241 2.168 -7.700 1.00 0.00 C ATOM 318 O GLU A 31 -1.075 3.245 -8.232 1.00 0.00 O ATOM 319 CB GLU A 31 -3.267 2.018 -6.248 1.00 0.00 C ATOM 320 CG GLU A 31 -4.602 1.298 -6.047 1.00 0.00 C ATOM 321 CD GLU A 31 -5.732 2.160 -6.612 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.834 3.307 -6.211 1.00 0.00 O ATOM 323 OE2 GLU A 31 -6.478 1.657 -7.438 1.00 0.00 O ATOM 0 H GLU A 31 -2.954 -0.430 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.271 1.856 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.601 1.812 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.424 3.096 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.584 0.329 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.770 1.108 -4.987 1.00 0.00 H new ATOM 330 N TYR A 32 -0.244 1.473 -7.240 1.00 0.00 N ATOM 331 CA TYR A 32 1.147 2.002 -7.368 1.00 0.00 C ATOM 332 C TYR A 32 1.649 1.765 -8.798 1.00 0.00 C ATOM 333 O TYR A 32 2.322 2.593 -9.371 1.00 0.00 O ATOM 334 CB TYR A 32 2.081 1.303 -6.379 1.00 0.00 C ATOM 335 CG TYR A 32 3.367 2.096 -6.270 1.00 0.00 C ATOM 336 CD1 TYR A 32 4.368 1.951 -7.244 1.00 0.00 C ATOM 337 CD2 TYR A 32 3.560 2.979 -5.201 1.00 0.00 C ATOM 338 CE1 TYR A 32 5.553 2.685 -7.144 1.00 0.00 C ATOM 339 CE2 TYR A 32 4.748 3.714 -5.103 1.00 0.00 C ATOM 340 CZ TYR A 32 5.744 3.567 -6.076 1.00 0.00 C ATOM 341 OH TYR A 32 6.915 4.292 -5.980 1.00 0.00 O ATOM 0 H TYR A 32 -0.326 0.565 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 32 1.140 3.069 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.604 1.224 -5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.292 0.287 -6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.222 1.272 -8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.792 3.094 -4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.323 2.571 -7.893 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.896 4.394 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 32 6.885 4.857 -5.180 1.00 0.00 H new ATOM 351 N ASN A 33 1.338 0.630 -9.373 1.00 0.00 N ATOM 352 CA ASN A 33 1.819 0.346 -10.767 1.00 0.00 C ATOM 353 C ASN A 33 1.428 1.498 -11.702 1.00 0.00 C ATOM 354 O ASN A 33 2.115 1.776 -12.666 1.00 0.00 O ATOM 355 CB ASN A 33 1.247 -0.986 -11.323 1.00 0.00 C ATOM 356 CG ASN A 33 -0.299 -0.922 -11.432 1.00 0.00 C ATOM 357 OD1 ASN A 33 -0.854 0.140 -11.617 1.00 0.00 O ATOM 358 ND2 ASN A 33 -1.036 -2.015 -11.342 1.00 0.00 N ATOM 0 H ASN A 33 0.778 -0.108 -8.946 1.00 0.00 H new ATOM 0 HA ASN A 33 2.904 0.252 -10.722 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.677 -1.190 -12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.536 -1.811 -10.671 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.051 -1.955 -11.428 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.590 -2.919 -11.187 1.00 0.00 H new ATOM 365 N ARG A 34 0.332 2.170 -11.446 1.00 0.00 N ATOM 366 CA ARG A 34 -0.078 3.276 -12.327 1.00 0.00 C ATOM 367 C ARG A 34 0.713 4.540 -11.979 1.00 0.00 C ATOM 368 O ARG A 34 1.059 5.325 -12.839 1.00 0.00 O ATOM 369 CB ARG A 34 -1.567 3.506 -12.115 1.00 0.00 C ATOM 370 CG ARG A 34 -1.879 3.607 -10.623 1.00 0.00 C ATOM 371 CD ARG A 34 -3.248 4.265 -10.436 1.00 0.00 C ATOM 372 NE ARG A 34 -4.274 3.497 -11.198 1.00 0.00 N ATOM 373 CZ ARG A 34 -5.543 3.759 -11.033 1.00 0.00 C ATOM 374 NH1 ARG A 34 -6.214 3.163 -10.087 1.00 0.00 N ATOM 375 NH2 ARG A 34 -6.141 4.616 -11.816 1.00 0.00 N ATOM 0 H ARG A 34 -0.290 1.989 -10.658 1.00 0.00 H new ATOM 0 HA ARG A 34 0.121 3.032 -13.371 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.877 4.420 -12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.135 2.688 -12.558 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.875 2.615 -10.171 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.110 4.191 -10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.509 4.292 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.218 5.298 -10.784 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.985 2.767 -11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.748 2.492 -9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.205 3.368 -9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.617 5.081 -12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.132 4.820 -11.686 1.00 0.00 H new ATOM 389 N ALA A 35 1.008 4.738 -10.723 1.00 0.00 N ATOM 390 CA ALA A 35 1.784 5.944 -10.313 1.00 0.00 C ATOM 391 C ALA A 35 3.269 5.725 -10.630 1.00 0.00 C ATOM 392 O ALA A 35 4.059 6.647 -10.600 1.00 0.00 O ATOM 393 CB ALA A 35 1.621 6.165 -8.808 1.00 0.00 C ATOM 0 H ALA A 35 0.744 4.114 -9.960 1.00 0.00 H new ATOM 0 HA ALA A 35 1.416 6.815 -10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.187 7.046 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.567 6.314 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.992 5.293 -8.270 1.00 0.00 H new ATOM 399 N SER A 36 3.659 4.508 -10.917 1.00 0.00 N ATOM 400 CA SER A 36 5.089 4.230 -11.217 1.00 0.00 C ATOM 401 C SER A 36 5.370 4.453 -12.700 1.00 0.00 C ATOM 402 O SER A 36 6.469 4.227 -13.154 1.00 0.00 O ATOM 403 CB SER A 36 5.430 2.788 -10.813 1.00 0.00 C ATOM 404 OG SER A 36 4.280 1.970 -10.976 1.00 0.00 O ATOM 0 H SER A 36 3.044 3.696 -10.955 1.00 0.00 H new ATOM 0 HA SER A 36 5.716 4.914 -10.644 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.249 2.410 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.767 2.759 -9.777 1.00 0.00 H new ATOM 0 HG SER A 36 3.748 1.986 -10.153 1.00 0.00 H new ATOM 410 N ASN A 37 4.374 4.877 -13.443 1.00 0.00 N ATOM 411 CA ASN A 37 4.530 5.116 -14.921 1.00 0.00 C ATOM 412 C ASN A 37 6.012 5.245 -15.306 1.00 0.00 C ATOM 413 O ASN A 37 6.519 4.467 -16.091 1.00 0.00 O ATOM 414 CB ASN A 37 3.782 6.404 -15.332 1.00 0.00 C ATOM 415 CG ASN A 37 3.185 7.109 -14.104 1.00 0.00 C ATOM 416 OD1 ASN A 37 3.928 7.332 -13.055 1.00 0.00 O flip ATOM 417 ND2 ASN A 37 2.022 7.461 -14.106 1.00 0.00 N flip ATOM 0 H ASN A 37 3.440 5.072 -13.083 1.00 0.00 H new ATOM 0 HA ASN A 37 4.105 4.260 -15.446 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.467 7.078 -15.846 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.988 6.158 -16.037 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.438 7.288 -14.924 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.629 7.929 -13.289 1.00 0.00 H new ATOM 424 N ASP A 38 6.716 6.197 -14.756 1.00 0.00 N ATOM 425 CA ASP A 38 8.151 6.346 -15.079 1.00 0.00 C ATOM 426 C ASP A 38 8.856 5.002 -14.880 1.00 0.00 C ATOM 427 O ASP A 38 8.230 4.000 -14.599 1.00 0.00 O ATOM 428 CB ASP A 38 8.741 7.394 -14.140 1.00 0.00 C ATOM 429 CG ASP A 38 8.919 6.799 -12.739 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.341 5.757 -12.481 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.626 7.400 -11.948 1.00 0.00 O ATOM 0 H ASP A 38 6.350 6.880 -14.093 1.00 0.00 H new ATOM 0 HA ASP A 38 8.284 6.660 -16.114 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.702 7.738 -14.523 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.086 8.264 -14.094 1.00 0.00 H new ATOM 436 N LYS A 39 10.147 4.961 -15.023 1.00 0.00 N ATOM 437 CA LYS A 39 10.860 3.668 -14.834 1.00 0.00 C ATOM 438 C LYS A 39 11.997 3.862 -13.847 1.00 0.00 C ATOM 439 O LYS A 39 13.026 3.240 -13.980 1.00 0.00 O ATOM 440 CB LYS A 39 11.464 3.226 -16.163 1.00 0.00 C ATOM 441 CG LYS A 39 12.462 4.283 -16.644 1.00 0.00 C ATOM 442 CD LYS A 39 11.844 5.085 -17.793 1.00 0.00 C ATOM 443 CE LYS A 39 12.533 6.449 -17.896 1.00 0.00 C ATOM 444 NZ LYS A 39 11.612 7.421 -18.552 1.00 0.00 N ATOM 0 H LYS A 39 10.737 5.758 -15.261 1.00 0.00 H new ATOM 0 HA LYS A 39 10.156 2.921 -14.466 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.964 2.264 -16.046 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.677 3.088 -16.905 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.726 4.949 -15.823 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.383 3.804 -16.975 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.953 4.540 -18.730 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.775 5.218 -17.624 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.809 6.805 -16.903 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.455 6.360 -18.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.078 8.348 -18.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.370 7.081 -19.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.744 7.513 -17.987 1.00 0.00 H new ATOM 458 N TYR A 40 11.858 4.735 -12.881 1.00 0.00 N ATOM 459 CA TYR A 40 12.993 4.960 -11.955 1.00 0.00 C ATOM 460 C TYR A 40 12.629 6.068 -10.954 1.00 0.00 C ATOM 461 O TYR A 40 11.785 6.899 -11.226 1.00 0.00 O ATOM 462 CB TYR A 40 14.170 5.480 -12.811 1.00 0.00 C ATOM 463 CG TYR A 40 15.118 4.363 -13.336 1.00 0.00 C ATOM 464 CD1 TYR A 40 15.669 3.406 -12.451 1.00 0.00 C ATOM 465 CD2 TYR A 40 15.482 4.287 -14.711 1.00 0.00 C ATOM 466 CE1 TYR A 40 16.536 2.415 -12.918 1.00 0.00 C ATOM 467 CE2 TYR A 40 16.354 3.288 -15.158 1.00 0.00 C ATOM 468 CZ TYR A 40 16.877 2.355 -14.267 1.00 0.00 C ATOM 469 OH TYR A 40 17.735 1.374 -14.718 1.00 0.00 O ATOM 0 H TYR A 40 11.021 5.289 -12.700 1.00 0.00 H new ATOM 0 HA TYR A 40 13.237 4.042 -11.420 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.770 6.031 -13.662 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.752 6.186 -12.218 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.416 3.442 -11.402 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.083 5.004 -15.413 1.00 0.00 H new ATOM 0 HE1 TYR A 40 16.944 1.691 -12.229 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.623 3.240 -16.203 1.00 0.00 H new ATOM 0 HH TYR A 40 17.867 1.474 -15.684 1.00 0.00 H new ATOM 479 N SER A 41 13.298 6.114 -9.821 1.00 0.00 N ATOM 480 CA SER A 41 13.043 7.204 -8.830 1.00 0.00 C ATOM 481 C SER A 41 11.895 6.898 -7.908 1.00 0.00 C ATOM 482 O SER A 41 11.697 7.560 -6.926 1.00 0.00 O ATOM 483 CB SER A 41 12.751 8.518 -9.544 1.00 0.00 C ATOM 484 OG SER A 41 13.386 8.531 -10.814 1.00 0.00 O ATOM 0 H SER A 41 14.011 5.439 -9.543 1.00 0.00 H new ATOM 0 HA SER A 41 13.950 7.285 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.675 8.645 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.105 9.355 -8.942 1.00 0.00 H new ATOM 0 HG SER A 41 12.723 8.353 -11.513 1.00 0.00 H new ATOM 490 N SER A 42 11.149 5.930 -8.228 1.00 0.00 N ATOM 491 CA SER A 42 9.969 5.579 -7.369 1.00 0.00 C ATOM 492 C SER A 42 10.150 4.196 -6.695 1.00 0.00 C ATOM 493 O SER A 42 10.621 3.273 -7.322 1.00 0.00 O ATOM 494 CB SER A 42 8.713 5.540 -8.242 1.00 0.00 C ATOM 495 OG SER A 42 8.851 6.465 -9.311 1.00 0.00 O ATOM 0 H SER A 42 11.280 5.340 -9.050 1.00 0.00 H new ATOM 0 HA SER A 42 9.878 6.334 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.561 4.534 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.835 5.786 -7.645 1.00 0.00 H new ATOM 0 HG SER A 42 9.272 6.020 -10.076 1.00 0.00 H new ATOM 501 N ARG A 43 9.731 4.026 -5.440 1.00 0.00 N ATOM 502 CA ARG A 43 9.837 2.684 -4.755 1.00 0.00 C ATOM 503 C ARG A 43 9.220 2.801 -3.362 1.00 0.00 C ATOM 504 O ARG A 43 8.965 3.886 -2.878 1.00 0.00 O ATOM 505 CB ARG A 43 11.287 2.182 -4.600 1.00 0.00 C ATOM 506 CG ARG A 43 11.780 1.560 -5.912 1.00 0.00 C ATOM 507 CD ARG A 43 12.772 0.431 -5.615 1.00 0.00 C ATOM 508 NE ARG A 43 12.254 -0.408 -4.498 1.00 0.00 N ATOM 509 CZ ARG A 43 11.653 -1.539 -4.755 1.00 0.00 C ATOM 510 NH1 ARG A 43 12.177 -2.378 -5.606 1.00 0.00 N ATOM 511 NH2 ARG A 43 10.526 -1.827 -4.162 1.00 0.00 N ATOM 0 H ARG A 43 9.321 4.764 -4.868 1.00 0.00 H new ATOM 0 HA ARG A 43 9.312 1.964 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.937 3.010 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.340 1.445 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.935 1.173 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.257 2.322 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.919 -0.181 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.744 0.847 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 43 12.369 -0.099 -3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.056 -2.151 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.708 -3.261 -5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.116 -1.169 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.056 -2.710 -4.362 1.00 0.00 H new ATOM 525 N VAL A 44 8.980 1.697 -2.708 1.00 0.00 N ATOM 526 CA VAL A 44 8.381 1.765 -1.346 1.00 0.00 C ATOM 527 C VAL A 44 9.393 1.264 -0.313 1.00 0.00 C ATOM 528 O VAL A 44 10.421 0.712 -0.649 1.00 0.00 O ATOM 529 CB VAL A 44 7.099 0.906 -1.293 1.00 0.00 C ATOM 530 CG1 VAL A 44 7.457 -0.562 -1.036 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.197 1.410 -0.165 1.00 0.00 C ATOM 0 H VAL A 44 9.171 0.757 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 44 8.122 2.799 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 44 6.579 0.985 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.545 -1.158 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.098 -0.926 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.983 -0.647 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.291 0.805 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.726 1.334 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.931 2.451 -0.350 1.00 0.00 H new ATOM 541 N VAL A 45 9.101 1.453 0.945 1.00 0.00 N ATOM 542 CA VAL A 45 10.036 0.992 2.006 1.00 0.00 C ATOM 543 C VAL A 45 9.359 -0.108 2.822 1.00 0.00 C ATOM 544 O VAL A 45 9.746 -1.259 2.775 1.00 0.00 O ATOM 545 CB VAL A 45 10.384 2.168 2.922 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.681 1.861 3.674 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.570 3.432 2.079 1.00 0.00 C ATOM 0 H VAL A 45 8.253 1.908 1.283 1.00 0.00 H new ATOM 0 HA VAL A 45 10.949 0.605 1.553 1.00 0.00 H new ATOM 0 HB VAL A 45 9.577 2.324 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.930 2.698 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.550 0.960 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.489 1.706 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.818 4.270 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.378 3.277 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.647 3.650 1.542 1.00 0.00 H new ATOM 557 N ARG A 46 8.349 0.236 3.573 1.00 0.00 N ATOM 558 CA ARG A 46 7.644 -0.788 4.393 1.00 0.00 C ATOM 559 C ARG A 46 6.245 -0.281 4.748 1.00 0.00 C ATOM 560 O ARG A 46 5.840 0.791 4.347 1.00 0.00 O ATOM 561 CB ARG A 46 8.431 -1.039 5.684 1.00 0.00 C ATOM 562 CG ARG A 46 9.740 -1.764 5.359 1.00 0.00 C ATOM 563 CD ARG A 46 10.459 -2.120 6.661 1.00 0.00 C ATOM 564 NE ARG A 46 11.089 -3.464 6.533 1.00 0.00 N ATOM 565 CZ ARG A 46 12.311 -3.655 6.950 1.00 0.00 C ATOM 566 NH1 ARG A 46 13.255 -2.824 6.601 1.00 0.00 N ATOM 567 NH2 ARG A 46 12.588 -4.677 7.713 1.00 0.00 N ATOM 0 H ARG A 46 7.981 1.184 3.654 1.00 0.00 H new ATOM 0 HA ARG A 46 7.566 -1.715 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.642 -0.093 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.835 -1.636 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.535 -2.668 4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.376 -1.130 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.219 -1.371 6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.753 -2.116 7.491 1.00 0.00 H new ATOM 0 HE ARG A 46 10.565 -4.235 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.037 -2.027 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.210 -2.972 6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.850 -5.327 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.543 -4.826 8.039 1.00 0.00 H new ATOM 581 N VAL A 47 5.513 -1.040 5.514 1.00 0.00 N ATOM 582 CA VAL A 47 4.144 -0.595 5.913 1.00 0.00 C ATOM 583 C VAL A 47 4.238 0.045 7.302 1.00 0.00 C ATOM 584 O VAL A 47 5.016 -0.374 8.136 1.00 0.00 O ATOM 585 CB VAL A 47 3.184 -1.806 5.925 1.00 0.00 C ATOM 586 CG1 VAL A 47 2.143 -1.663 7.045 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.451 -1.885 4.582 1.00 0.00 C ATOM 0 H VAL A 47 5.800 -1.947 5.881 1.00 0.00 H new ATOM 0 HA VAL A 47 3.753 0.133 5.203 1.00 0.00 H new ATOM 0 HB VAL A 47 3.770 -2.709 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.477 -2.526 7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.650 -1.607 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.561 -0.755 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.773 -2.738 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.881 -0.969 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.177 -2.003 3.778 1.00 0.00 H new ATOM 597 N ILE A 48 3.455 1.056 7.558 1.00 0.00 N ATOM 598 CA ILE A 48 3.507 1.714 8.893 1.00 0.00 C ATOM 599 C ILE A 48 2.546 0.993 9.830 1.00 0.00 C ATOM 600 O ILE A 48 2.769 0.901 11.021 1.00 0.00 O ATOM 601 CB ILE A 48 3.093 3.181 8.759 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.121 3.923 7.901 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.029 3.822 10.146 1.00 0.00 C ATOM 604 CD1 ILE A 48 5.531 3.600 8.401 1.00 0.00 C ATOM 0 H ILE A 48 2.783 1.454 6.902 1.00 0.00 H new ATOM 0 HA ILE A 48 4.520 1.667 9.292 1.00 0.00 H new ATOM 0 HB ILE A 48 2.113 3.241 8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.018 3.630 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.944 4.997 7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.734 4.867 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.298 3.293 10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.009 3.763 10.619 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.263 4.128 7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.630 3.915 9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.705 2.526 8.329 1.00 0.00 H new ATOM 616 N SER A 49 1.489 0.459 9.286 1.00 0.00 N ATOM 617 CA SER A 49 0.497 -0.286 10.117 1.00 0.00 C ATOM 618 C SER A 49 -0.701 -0.655 9.250 1.00 0.00 C ATOM 619 O SER A 49 -0.870 -0.155 8.156 1.00 0.00 O ATOM 620 CB SER A 49 0.020 0.562 11.304 1.00 0.00 C ATOM 621 OG SER A 49 -0.618 -0.281 12.251 1.00 0.00 O ATOM 0 H SER A 49 1.266 0.506 8.292 1.00 0.00 H new ATOM 0 HA SER A 49 0.977 -1.184 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.865 1.073 11.765 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.670 1.333 10.962 1.00 0.00 H new ATOM 0 HG SER A 49 -0.923 0.255 13.013 1.00 0.00 H new ATOM 627 N ALA A 50 -1.535 -1.522 9.738 1.00 0.00 N ATOM 628 CA ALA A 50 -2.730 -1.929 8.954 1.00 0.00 C ATOM 629 C ALA A 50 -3.891 -2.157 9.914 1.00 0.00 C ATOM 630 O ALA A 50 -3.841 -3.022 10.766 1.00 0.00 O ATOM 631 CB ALA A 50 -2.433 -3.224 8.194 1.00 0.00 C ATOM 0 H ALA A 50 -1.442 -1.969 10.650 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.986 -1.148 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.312 -3.519 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.594 -3.064 7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.181 -4.012 8.903 1.00 0.00 H new ATOM 637 N LYS A 51 -4.941 -1.396 9.788 1.00 0.00 N ATOM 638 CA LYS A 51 -6.098 -1.593 10.706 1.00 0.00 C ATOM 639 C LYS A 51 -7.345 -1.814 9.862 1.00 0.00 C ATOM 640 O LYS A 51 -7.382 -1.454 8.710 1.00 0.00 O ATOM 641 CB LYS A 51 -6.278 -0.351 11.595 1.00 0.00 C ATOM 642 CG LYS A 51 -4.999 -0.114 12.402 1.00 0.00 C ATOM 643 CD LYS A 51 -5.204 -0.600 13.837 1.00 0.00 C ATOM 644 CE LYS A 51 -3.868 -0.561 14.581 1.00 0.00 C ATOM 645 NZ LYS A 51 -3.888 0.544 15.581 1.00 0.00 N ATOM 0 H LYS A 51 -5.049 -0.653 9.097 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.924 -2.456 11.349 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.500 0.521 10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.125 -0.491 12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.164 -0.643 11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.745 0.946 12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.935 0.029 14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.603 -1.614 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.689 -1.514 15.080 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.051 -0.412 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.980 0.571 16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.040 1.450 15.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.658 0.383 16.261 1.00 0.00 H new ATOM 659 N ARG A 52 -8.366 -2.410 10.405 1.00 0.00 N ATOM 660 CA ARG A 52 -9.579 -2.636 9.583 1.00 0.00 C ATOM 661 C ARG A 52 -10.792 -2.024 10.268 1.00 0.00 C ATOM 662 O ARG A 52 -10.962 -2.113 11.468 1.00 0.00 O ATOM 663 CB ARG A 52 -9.807 -4.142 9.384 1.00 0.00 C ATOM 664 CG ARG A 52 -9.655 -4.860 10.727 1.00 0.00 C ATOM 665 CD ARG A 52 -10.260 -6.261 10.623 1.00 0.00 C ATOM 666 NE ARG A 52 -11.682 -6.219 11.062 1.00 0.00 N ATOM 667 CZ ARG A 52 -12.416 -7.296 10.996 1.00 0.00 C ATOM 668 NH1 ARG A 52 -11.858 -8.456 10.776 1.00 0.00 N ATOM 669 NH2 ARG A 52 -13.710 -7.213 11.146 1.00 0.00 N ATOM 0 H ARG A 52 -8.413 -2.745 11.367 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.437 -2.163 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.801 -4.320 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.090 -4.538 8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.602 -4.926 11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.154 -4.294 11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.195 -6.622 9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.697 -6.959 11.242 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.082 -5.349 11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.847 -8.521 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.433 -9.297 10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.147 -6.307 11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.284 -8.054 11.095 1.00 0.00 H new ATOM 683 N GLN A 53 -11.637 -1.404 9.500 1.00 0.00 N ATOM 684 CA GLN A 53 -12.855 -0.774 10.077 1.00 0.00 C ATOM 685 C GLN A 53 -14.088 -1.591 9.685 1.00 0.00 C ATOM 686 O GLN A 53 -14.020 -2.484 8.860 1.00 0.00 O ATOM 687 CB GLN A 53 -12.995 0.651 9.537 1.00 0.00 C ATOM 688 CG GLN A 53 -12.605 1.655 10.625 1.00 0.00 C ATOM 689 CD GLN A 53 -13.007 3.064 10.185 1.00 0.00 C ATOM 690 OE1 GLN A 53 -14.139 3.298 9.811 1.00 0.00 O ATOM 691 NE2 GLN A 53 -12.118 4.020 10.211 1.00 0.00 N ATOM 0 H GLN A 53 -11.537 -1.305 8.490 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.769 -0.745 11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.359 0.783 8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -14.021 0.829 9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.098 1.401 11.563 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.531 1.612 10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.167 3.824 10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.374 4.963 9.917 1.00 0.00 H new ATOM 700 N LEU A 54 -15.215 -1.280 10.268 1.00 0.00 N ATOM 701 CA LEU A 54 -16.472 -2.021 9.939 1.00 0.00 C ATOM 702 C LEU A 54 -17.574 -0.990 9.622 1.00 0.00 C ATOM 703 O LEU A 54 -17.816 -0.095 10.407 1.00 0.00 O ATOM 704 CB LEU A 54 -16.891 -2.880 11.147 1.00 0.00 C ATOM 705 CG LEU A 54 -18.250 -3.542 10.887 1.00 0.00 C ATOM 706 CD1 LEU A 54 -19.370 -2.521 11.102 1.00 0.00 C ATOM 707 CD2 LEU A 54 -18.304 -4.070 9.454 1.00 0.00 C ATOM 0 H LEU A 54 -15.321 -0.540 10.962 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.315 -2.673 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.137 -3.644 11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.947 -2.259 12.041 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.381 -4.373 11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -20.334 -2.994 10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.337 -2.155 12.128 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.238 -1.686 10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -19.272 -4.539 9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -18.167 -3.244 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -17.512 -4.804 9.307 1.00 0.00 H new ATOM 719 N VAL A 55 -18.246 -1.082 8.493 1.00 0.00 N ATOM 720 CA VAL A 55 -19.300 -0.090 8.176 1.00 0.00 C ATOM 721 C VAL A 55 -20.098 -0.682 7.022 1.00 0.00 C ATOM 722 O VAL A 55 -19.918 -0.273 5.893 1.00 0.00 O ATOM 723 CB VAL A 55 -18.642 1.209 7.714 1.00 0.00 C ATOM 724 CG1 VAL A 55 -18.122 1.983 8.926 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.478 0.871 6.788 1.00 0.00 C ATOM 0 H VAL A 55 -18.102 -1.804 7.787 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.931 0.122 9.039 1.00 0.00 H new ATOM 0 HB VAL A 55 -19.371 1.823 7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.653 2.909 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.952 2.216 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.389 1.376 9.458 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.001 1.792 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.752 0.261 7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.849 0.319 5.925 1.00 0.00 H new ATOM 735 N SER A 56 -20.915 -1.693 7.283 1.00 0.00 N ATOM 736 CA SER A 56 -21.671 -2.373 6.193 1.00 0.00 C ATOM 737 C SER A 56 -20.855 -3.591 5.782 1.00 0.00 C ATOM 738 O SER A 56 -21.372 -4.668 5.566 1.00 0.00 O ATOM 739 CB SER A 56 -21.830 -1.444 5.007 1.00 0.00 C ATOM 740 OG SER A 56 -22.988 -1.795 4.266 1.00 0.00 O ATOM 0 H SER A 56 -21.083 -2.069 8.216 1.00 0.00 H new ATOM 0 HA SER A 56 -22.666 -2.659 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.907 -0.412 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.948 -1.502 4.369 1.00 0.00 H new ATOM 0 HG SER A 56 -22.780 -2.545 3.670 1.00 0.00 H new ATOM 746 N GLY A 57 -19.562 -3.418 5.715 1.00 0.00 N ATOM 747 CA GLY A 57 -18.657 -4.534 5.367 1.00 0.00 C ATOM 748 C GLY A 57 -17.333 -4.274 6.096 1.00 0.00 C ATOM 749 O GLY A 57 -17.323 -3.638 7.135 1.00 0.00 O ATOM 0 H GLY A 57 -19.093 -2.530 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.085 -5.489 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.502 -4.584 4.289 1.00 0.00 H new ATOM 753 N ILE A 58 -16.212 -4.716 5.580 1.00 0.00 N ATOM 754 CA ILE A 58 -14.942 -4.432 6.306 1.00 0.00 C ATOM 755 C ILE A 58 -14.068 -3.503 5.466 1.00 0.00 C ATOM 756 O ILE A 58 -14.227 -3.392 4.269 1.00 0.00 O ATOM 757 CB ILE A 58 -14.175 -5.731 6.594 1.00 0.00 C ATOM 758 CG1 ILE A 58 -15.100 -6.940 6.431 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.641 -5.692 8.028 1.00 0.00 C ATOM 760 CD1 ILE A 58 -14.381 -8.198 6.921 1.00 0.00 C ATOM 0 H ILE A 58 -16.124 -5.246 4.713 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.187 -3.954 7.255 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.348 -5.820 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -16.019 -6.788 6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.386 -7.055 5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.095 -6.612 8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.972 -4.839 8.144 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.474 -5.597 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.038 -9.060 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.475 -8.351 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.117 -8.080 7.972 1.00 0.00 H new ATOM 772 N LYS A 59 -13.143 -2.836 6.093 1.00 0.00 N ATOM 773 CA LYS A 59 -12.245 -1.906 5.343 1.00 0.00 C ATOM 774 C LYS A 59 -10.823 -2.068 5.881 1.00 0.00 C ATOM 775 O LYS A 59 -10.630 -2.471 7.008 1.00 0.00 O ATOM 776 CB LYS A 59 -12.723 -0.463 5.554 1.00 0.00 C ATOM 777 CG LYS A 59 -11.886 0.494 4.707 1.00 0.00 C ATOM 778 CD LYS A 59 -12.821 1.397 3.898 1.00 0.00 C ATOM 779 CE LYS A 59 -12.966 2.746 4.607 1.00 0.00 C ATOM 780 NZ LYS A 59 -13.660 3.709 3.706 1.00 0.00 N ATOM 0 H LYS A 59 -12.966 -2.892 7.096 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.264 -2.134 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.775 -0.376 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.642 -0.195 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.242 1.097 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.234 -0.068 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.424 1.543 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.797 0.924 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.531 2.624 5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.984 3.132 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.041 4.525 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.885 3.241 2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.539 4.034 4.156 1.00 0.00 H new ATOM 794 N TYR A 60 -9.825 -1.775 5.091 1.00 0.00 N ATOM 795 CA TYR A 60 -8.423 -1.929 5.581 1.00 0.00 C ATOM 796 C TYR A 60 -7.642 -0.636 5.337 1.00 0.00 C ATOM 797 O TYR A 60 -7.247 -0.334 4.232 1.00 0.00 O ATOM 798 CB TYR A 60 -7.743 -3.077 4.834 1.00 0.00 C ATOM 799 CG TYR A 60 -8.458 -4.372 5.134 1.00 0.00 C ATOM 800 CD1 TYR A 60 -9.680 -4.656 4.517 1.00 0.00 C ATOM 801 CD2 TYR A 60 -7.895 -5.291 6.027 1.00 0.00 C ATOM 802 CE1 TYR A 60 -10.341 -5.859 4.791 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.555 -6.495 6.303 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.779 -6.778 5.686 1.00 0.00 C ATOM 805 OH TYR A 60 -10.430 -7.964 5.957 1.00 0.00 O ATOM 0 H TYR A 60 -9.918 -1.438 4.133 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.441 -2.145 6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.755 -2.884 3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.697 -3.150 5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.114 -3.946 3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.951 -5.072 6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.284 -6.078 4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.120 -7.204 6.991 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.904 -8.487 6.597 1.00 0.00 H new ATOM 815 N ILE A 61 -7.405 0.128 6.364 1.00 0.00 N ATOM 816 CA ILE A 61 -6.648 1.395 6.198 1.00 0.00 C ATOM 817 C ILE A 61 -5.163 1.130 6.450 1.00 0.00 C ATOM 818 O ILE A 61 -4.777 0.649 7.504 1.00 0.00 O ATOM 819 CB ILE A 61 -7.164 2.425 7.214 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.343 1.747 8.577 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.512 2.996 6.753 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.614 2.811 9.643 1.00 0.00 C ATOM 0 H ILE A 61 -7.706 -0.073 7.318 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.783 1.779 5.187 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.441 3.237 7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.170 1.038 8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.448 1.179 8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.867 3.725 7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.390 3.481 5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.238 2.188 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.742 2.330 10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.773 3.503 9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.521 3.359 9.388 1.00 0.00 H new ATOM 834 N LEU A 62 -4.325 1.430 5.488 1.00 0.00 N ATOM 835 CA LEU A 62 -2.871 1.193 5.668 1.00 0.00 C ATOM 836 C LEU A 62 -2.089 2.456 5.291 1.00 0.00 C ATOM 837 O LEU A 62 -2.415 3.137 4.334 1.00 0.00 O ATOM 838 CB LEU A 62 -2.451 -0.006 4.793 1.00 0.00 C ATOM 839 CG LEU A 62 -2.116 0.406 3.356 1.00 0.00 C ATOM 840 CD1 LEU A 62 -0.819 -0.283 2.925 1.00 0.00 C ATOM 841 CD2 LEU A 62 -3.255 -0.044 2.441 1.00 0.00 C ATOM 0 H LEU A 62 -4.591 1.829 4.588 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.651 0.963 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.584 -0.492 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.256 -0.741 4.779 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.992 1.487 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.576 0.007 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.009 0.017 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.947 -1.364 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.031 0.242 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.363 -1.127 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.184 0.431 2.756 1.00 0.00 H new ATOM 853 N GLN A 63 -1.055 2.765 6.037 1.00 0.00 N ATOM 854 CA GLN A 63 -0.230 3.971 5.738 1.00 0.00 C ATOM 855 C GLN A 63 1.162 3.507 5.344 1.00 0.00 C ATOM 856 O GLN A 63 1.928 3.046 6.160 1.00 0.00 O ATOM 857 CB GLN A 63 -0.134 4.855 6.966 1.00 0.00 C ATOM 858 CG GLN A 63 0.292 6.266 6.558 1.00 0.00 C ATOM 859 CD GLN A 63 -0.331 7.284 7.512 1.00 0.00 C ATOM 860 OE1 GLN A 63 -1.016 8.193 7.088 1.00 0.00 O ATOM 861 NE2 GLN A 63 -0.119 7.171 8.795 1.00 0.00 N ATOM 0 H GLN A 63 -0.747 2.226 6.847 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.688 4.542 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.096 4.889 7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.586 4.438 7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.379 6.349 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.023 6.471 5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.456 6.408 9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.529 7.846 9.441 1.00 0.00 H new ATOM 870 N VAL A 64 1.475 3.593 4.094 1.00 0.00 N ATOM 871 CA VAL A 64 2.786 3.123 3.611 1.00 0.00 C ATOM 872 C VAL A 64 3.798 4.269 3.555 1.00 0.00 C ATOM 873 O VAL A 64 3.452 5.406 3.336 1.00 0.00 O ATOM 874 CB VAL A 64 2.564 2.593 2.201 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.293 1.744 2.173 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.414 3.773 1.233 1.00 0.00 C ATOM 0 H VAL A 64 0.865 3.977 3.372 1.00 0.00 H new ATOM 0 HA VAL A 64 3.181 2.361 4.283 1.00 0.00 H new ATOM 0 HB VAL A 64 3.415 1.982 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.132 1.363 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.399 0.908 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.441 2.355 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.255 3.397 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.561 4.382 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.319 4.380 1.256 1.00 0.00 H new ATOM 886 N GLU A 65 5.050 3.962 3.693 1.00 0.00 N ATOM 887 CA GLU A 65 6.087 5.014 3.583 1.00 0.00 C ATOM 888 C GLU A 65 6.803 4.777 2.252 1.00 0.00 C ATOM 889 O GLU A 65 7.620 3.886 2.131 1.00 0.00 O ATOM 890 CB GLU A 65 7.075 4.898 4.743 1.00 0.00 C ATOM 891 CG GLU A 65 8.079 6.049 4.677 1.00 0.00 C ATOM 892 CD GLU A 65 9.323 5.691 5.492 1.00 0.00 C ATOM 893 OE1 GLU A 65 9.163 5.264 6.623 1.00 0.00 O ATOM 894 OE2 GLU A 65 10.414 5.848 4.970 1.00 0.00 O ATOM 0 H GLU A 65 5.402 3.023 3.878 1.00 0.00 H new ATOM 0 HA GLU A 65 5.648 6.011 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.541 4.922 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.598 3.943 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.355 6.246 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.627 6.962 5.066 1.00 0.00 H new ATOM 901 N ILE A 66 6.476 5.534 1.242 1.00 0.00 N ATOM 902 CA ILE A 66 7.118 5.301 -0.086 1.00 0.00 C ATOM 903 C ILE A 66 8.214 6.341 -0.342 1.00 0.00 C ATOM 904 O ILE A 66 8.069 7.497 -0.010 1.00 0.00 O ATOM 905 CB ILE A 66 6.065 5.361 -1.205 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.796 6.082 -0.727 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.698 3.936 -1.627 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.657 5.830 -1.719 1.00 0.00 C ATOM 0 H ILE A 66 5.800 6.297 1.275 1.00 0.00 H new ATOM 0 HA ILE A 66 7.571 4.310 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 66 6.485 5.912 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.514 5.725 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.985 7.152 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.951 3.972 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.589 3.423 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.292 3.396 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.757 6.342 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.940 6.208 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.462 4.760 -1.785 1.00 0.00 H new ATOM 920 N GLY A 67 9.316 5.938 -0.933 1.00 0.00 N ATOM 921 CA GLY A 67 10.416 6.907 -1.199 1.00 0.00 C ATOM 922 C GLY A 67 10.882 6.776 -2.657 1.00 0.00 C ATOM 923 O GLY A 67 10.370 5.966 -3.420 1.00 0.00 O ATOM 0 H GLY A 67 9.496 4.982 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.072 7.923 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.250 6.720 -0.523 1.00 0.00 H new ATOM 927 N ARG A 68 11.845 7.572 -3.055 1.00 0.00 N ATOM 928 CA ARG A 68 12.339 7.501 -4.455 1.00 0.00 C ATOM 929 C ARG A 68 13.638 6.690 -4.500 1.00 0.00 C ATOM 930 O ARG A 68 14.193 6.356 -3.473 1.00 0.00 O ATOM 931 CB ARG A 68 12.601 8.918 -4.972 1.00 0.00 C ATOM 932 CG ARG A 68 11.271 9.663 -5.121 1.00 0.00 C ATOM 933 CD ARG A 68 11.355 11.007 -4.397 1.00 0.00 C ATOM 934 NE ARG A 68 10.018 11.358 -3.835 1.00 0.00 N ATOM 935 CZ ARG A 68 9.027 11.652 -4.634 1.00 0.00 C ATOM 936 NH1 ARG A 68 9.264 12.097 -5.837 1.00 0.00 N ATOM 937 NH2 ARG A 68 7.796 11.503 -4.227 1.00 0.00 N ATOM 0 H ARG A 68 12.307 8.266 -2.467 1.00 0.00 H new ATOM 0 HA ARG A 68 11.590 7.017 -5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.254 9.453 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.116 8.877 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.046 9.820 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.459 9.065 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.094 10.955 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.686 11.783 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 68 9.877 11.368 -2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.225 12.216 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.488 12.326 -6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.608 11.157 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.022 11.732 -4.850 1.00 0.00 H new ATOM 951 N THR A 69 14.146 6.363 -5.666 1.00 0.00 N ATOM 952 CA THR A 69 15.418 5.570 -5.683 1.00 0.00 C ATOM 953 C THR A 69 15.952 5.346 -7.115 1.00 0.00 C ATOM 954 O THR A 69 15.375 5.804 -8.086 1.00 0.00 O ATOM 955 CB THR A 69 15.151 4.217 -5.022 1.00 0.00 C ATOM 956 OG1 THR A 69 16.122 3.270 -5.434 1.00 0.00 O ATOM 957 CG2 THR A 69 13.772 3.728 -5.437 1.00 0.00 C ATOM 0 H THR A 69 13.752 6.600 -6.576 1.00 0.00 H new ATOM 0 HA THR A 69 16.178 6.132 -5.140 1.00 0.00 H new ATOM 0 HB THR A 69 15.202 4.331 -3.939 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.965 3.441 -4.965 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.572 2.763 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.019 4.448 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.735 3.621 -6.521 1.00 0.00 H new ATOM 965 N THR A 70 17.071 4.644 -7.247 1.00 0.00 N ATOM 966 CA THR A 70 17.668 4.396 -8.597 1.00 0.00 C ATOM 967 C THR A 70 17.098 3.114 -9.233 1.00 0.00 C ATOM 968 O THR A 70 17.809 2.397 -9.911 1.00 0.00 O ATOM 969 CB THR A 70 19.181 4.233 -8.432 1.00 0.00 C ATOM 970 OG1 THR A 70 19.447 3.113 -7.600 1.00 0.00 O ATOM 971 CG2 THR A 70 19.764 5.493 -7.794 1.00 0.00 C ATOM 0 H THR A 70 17.589 4.236 -6.469 1.00 0.00 H new ATOM 0 HA THR A 70 17.429 5.238 -9.247 1.00 0.00 H new ATOM 0 HB THR A 70 19.639 4.077 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.255 3.282 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.841 5.376 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.559 6.352 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.308 5.651 -6.817 1.00 0.00 H new ATOM 979 N CYS A 71 15.833 2.811 -9.052 1.00 0.00 N ATOM 980 CA CYS A 71 15.283 1.565 -9.699 1.00 0.00 C ATOM 981 C CYS A 71 13.902 1.861 -10.292 1.00 0.00 C ATOM 982 O CYS A 71 13.234 2.772 -9.852 1.00 0.00 O ATOM 983 CB CYS A 71 15.155 0.423 -8.677 1.00 0.00 C ATOM 984 SG CYS A 71 16.641 0.358 -7.652 1.00 0.00 S ATOM 0 H CYS A 71 15.169 3.354 -8.500 1.00 0.00 H new ATOM 0 HA CYS A 71 15.973 1.257 -10.485 1.00 0.00 H new ATOM 0 HB2 CYS A 71 14.276 0.578 -8.051 1.00 0.00 H new ATOM 0 HB3 CYS A 71 15.015 -0.527 -9.193 1.00 0.00 H new ATOM 989 N PRO A 72 13.512 1.075 -11.272 1.00 0.00 N ATOM 990 CA PRO A 72 12.196 1.221 -11.972 1.00 0.00 C ATOM 991 C PRO A 72 11.078 0.565 -11.171 1.00 0.00 C ATOM 992 O PRO A 72 10.170 -0.029 -11.715 1.00 0.00 O ATOM 993 CB PRO A 72 12.420 0.483 -13.278 1.00 0.00 C ATOM 994 CG PRO A 72 13.535 -0.527 -13.040 1.00 0.00 C ATOM 995 CD PRO A 72 14.324 -0.067 -11.810 1.00 0.00 C ATOM 0 HA PRO A 72 11.896 2.260 -12.107 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.507 -0.020 -13.597 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.694 1.179 -14.071 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.121 -1.523 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.187 -0.590 -13.911 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.424 -0.867 -11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.332 0.249 -12.077 1.00 0.00 H new ATOM 1003 N LYS A 73 11.147 0.670 -9.885 1.00 0.00 N ATOM 1004 CA LYS A 73 10.094 0.052 -9.025 1.00 0.00 C ATOM 1005 C LYS A 73 9.932 -1.425 -9.399 1.00 0.00 C ATOM 1006 O LYS A 73 8.884 -2.010 -9.213 1.00 0.00 O ATOM 1007 CB LYS A 73 8.756 0.774 -9.230 1.00 0.00 C ATOM 1008 CG LYS A 73 7.683 0.114 -8.363 1.00 0.00 C ATOM 1009 CD LYS A 73 6.584 -0.466 -9.255 1.00 0.00 C ATOM 1010 CE LYS A 73 5.913 -1.639 -8.538 1.00 0.00 C ATOM 1011 NZ LYS A 73 5.490 -2.657 -9.541 1.00 0.00 N ATOM 0 H LYS A 73 11.887 1.158 -9.381 1.00 0.00 H new ATOM 0 HA LYS A 73 10.393 0.139 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.855 1.827 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.466 0.734 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.127 -0.675 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.258 0.844 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.846 0.302 -9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.008 -0.799 -10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.603 -2.084 -7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.049 -1.288 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.034 -3.455 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.818 -2.228 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.323 -2.999 -10.061 1.00 0.00 H new ATOM 1025 N SER A 74 10.959 -2.035 -9.930 1.00 0.00 N ATOM 1026 CA SER A 74 10.849 -3.475 -10.314 1.00 0.00 C ATOM 1027 C SER A 74 12.195 -4.173 -10.092 1.00 0.00 C ATOM 1028 O SER A 74 12.500 -4.620 -9.004 1.00 0.00 O ATOM 1029 CB SER A 74 10.450 -3.582 -11.787 1.00 0.00 C ATOM 1030 OG SER A 74 11.126 -2.582 -12.535 1.00 0.00 O ATOM 0 H SER A 74 11.864 -1.602 -10.114 1.00 0.00 H new ATOM 0 HA SER A 74 10.090 -3.956 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.701 -4.571 -12.172 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.372 -3.463 -11.892 1.00 0.00 H new ATOM 0 HG SER A 74 10.718 -1.709 -12.358 1.00 0.00 H new ATOM 1036 N SER A 75 13.003 -4.273 -11.113 1.00 0.00 N ATOM 1037 CA SER A 75 14.331 -4.948 -10.954 1.00 0.00 C ATOM 1038 C SER A 75 15.443 -3.896 -10.931 1.00 0.00 C ATOM 1039 O SER A 75 15.258 -2.794 -10.452 1.00 0.00 O ATOM 1040 CB SER A 75 14.557 -5.904 -12.129 1.00 0.00 C ATOM 1041 OG SER A 75 14.713 -5.154 -13.326 1.00 0.00 O ATOM 0 H SER A 75 12.805 -3.919 -12.049 1.00 0.00 H new ATOM 0 HA SER A 75 14.345 -5.508 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.443 -6.513 -11.951 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.713 -6.588 -12.223 1.00 0.00 H new ATOM 0 HG SER A 75 14.859 -5.765 -14.078 1.00 0.00 H new ATOM 1047 N GLY A 76 16.599 -4.227 -11.442 1.00 0.00 N ATOM 1048 CA GLY A 76 17.722 -3.247 -11.445 1.00 0.00 C ATOM 1049 C GLY A 76 18.930 -3.863 -10.736 1.00 0.00 C ATOM 1050 O GLY A 76 19.860 -4.332 -11.365 1.00 0.00 O ATOM 0 H GLY A 76 16.813 -5.134 -11.857 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.984 -2.979 -12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.420 -2.328 -10.942 1.00 0.00 H new ATOM 1054 N ASP A 77 18.922 -3.873 -9.431 1.00 0.00 N ATOM 1055 CA ASP A 77 20.063 -4.464 -8.679 1.00 0.00 C ATOM 1056 C ASP A 77 19.605 -5.761 -8.006 1.00 0.00 C ATOM 1057 O ASP A 77 18.453 -6.137 -8.082 1.00 0.00 O ATOM 1058 CB ASP A 77 20.547 -3.480 -7.607 1.00 0.00 C ATOM 1059 CG ASP A 77 19.430 -2.497 -7.251 1.00 0.00 C ATOM 1060 OD1 ASP A 77 19.331 -1.476 -7.912 1.00 0.00 O ATOM 1061 OD2 ASP A 77 18.691 -2.782 -6.322 1.00 0.00 O ATOM 0 H ASP A 77 18.172 -3.496 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 77 20.880 -4.673 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.859 -4.025 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.419 -2.936 -7.969 1.00 0.00 H new ATOM 1066 N LEU A 78 20.498 -6.446 -7.347 1.00 0.00 N ATOM 1067 CA LEU A 78 20.111 -7.719 -6.671 1.00 0.00 C ATOM 1068 C LEU A 78 20.332 -7.586 -5.158 1.00 0.00 C ATOM 1069 O LEU A 78 21.083 -8.333 -4.567 1.00 0.00 O ATOM 1070 CB LEU A 78 20.967 -8.870 -7.213 1.00 0.00 C ATOM 1071 CG LEU A 78 21.313 -8.605 -8.681 1.00 0.00 C ATOM 1072 CD1 LEU A 78 22.783 -8.196 -8.795 1.00 0.00 C ATOM 1073 CD2 LEU A 78 21.074 -9.876 -9.499 1.00 0.00 C ATOM 0 H LEU A 78 21.478 -6.181 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 78 19.059 -7.926 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 78 21.880 -8.966 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 78 20.428 -9.813 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 78 20.682 -7.802 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 78 23.028 -8.008 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 78 22.955 -7.291 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 78 23.415 -8.998 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.320 -9.688 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 78 21.704 -10.679 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 78 20.027 -10.168 -9.420 1.00 0.00 H new ATOM 1085 N GLN A 79 19.680 -6.643 -4.525 1.00 0.00 N ATOM 1086 CA GLN A 79 19.855 -6.478 -3.050 1.00 0.00 C ATOM 1087 C GLN A 79 18.631 -5.785 -2.467 1.00 0.00 C ATOM 1088 O GLN A 79 17.700 -6.418 -2.010 1.00 0.00 O ATOM 1089 CB GLN A 79 21.104 -5.648 -2.753 1.00 0.00 C ATOM 1090 CG GLN A 79 22.169 -6.548 -2.120 1.00 0.00 C ATOM 1091 CD GLN A 79 23.551 -5.924 -2.318 1.00 0.00 C ATOM 1092 OE1 GLN A 79 24.152 -6.069 -3.364 1.00 0.00 O ATOM 1093 NE2 GLN A 79 24.086 -5.232 -1.348 1.00 0.00 N ATOM 0 H GLN A 79 19.037 -5.983 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 79 19.970 -7.462 -2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 79 21.486 -5.203 -3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 79 20.858 -4.827 -2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 79 21.966 -6.677 -1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 79 22.138 -7.539 -2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.582 -5.110 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 79 25.008 -4.813 -1.469 1.00 0.00 H new ATOM 1102 N SER A 80 18.624 -4.489 -2.481 1.00 0.00 N ATOM 1103 CA SER A 80 17.453 -3.745 -1.925 1.00 0.00 C ATOM 1104 C SER A 80 17.348 -2.354 -2.563 1.00 0.00 C ATOM 1105 O SER A 80 16.639 -1.496 -2.078 1.00 0.00 O ATOM 1106 CB SER A 80 17.603 -3.602 -0.407 1.00 0.00 C ATOM 1107 OG SER A 80 16.354 -3.231 0.156 1.00 0.00 O ATOM 0 H SER A 80 19.374 -3.906 -2.851 1.00 0.00 H new ATOM 0 HA SER A 80 16.546 -4.306 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.945 -4.542 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.357 -2.850 -0.174 1.00 0.00 H new ATOM 0 HG SER A 80 15.968 -2.493 -0.361 1.00 0.00 H new ATOM 1113 N CYS A 81 18.040 -2.121 -3.646 1.00 0.00 N ATOM 1114 CA CYS A 81 17.962 -0.778 -4.304 1.00 0.00 C ATOM 1115 C CYS A 81 18.389 0.308 -3.314 1.00 0.00 C ATOM 1116 O CYS A 81 18.680 0.032 -2.167 1.00 0.00 O ATOM 1117 CB CYS A 81 16.525 -0.512 -4.763 1.00 0.00 C ATOM 1118 SG CYS A 81 16.298 -1.203 -6.420 1.00 0.00 S ATOM 0 H CYS A 81 18.653 -2.796 -4.104 1.00 0.00 H new ATOM 0 HA CYS A 81 18.628 -0.763 -5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 81 15.818 -0.963 -4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 81 16.325 0.559 -4.771 1.00 0.00 H new ATOM 1123 N GLU A 82 18.436 1.543 -3.746 1.00 0.00 N ATOM 1124 CA GLU A 82 18.852 2.635 -2.816 1.00 0.00 C ATOM 1125 C GLU A 82 18.122 3.943 -3.159 1.00 0.00 C ATOM 1126 O GLU A 82 17.868 4.251 -4.315 1.00 0.00 O ATOM 1127 CB GLU A 82 20.363 2.865 -2.932 1.00 0.00 C ATOM 1128 CG GLU A 82 21.068 1.548 -3.270 1.00 0.00 C ATOM 1129 CD GLU A 82 20.975 1.293 -4.777 1.00 0.00 C ATOM 1130 OE1 GLU A 82 21.422 2.143 -5.530 1.00 0.00 O ATOM 1131 OE2 GLU A 82 20.462 0.251 -5.151 1.00 0.00 O ATOM 0 H GLU A 82 18.206 1.840 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 82 18.596 2.337 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.568 3.606 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.751 3.265 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 82 22.112 1.592 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.608 0.726 -2.722 1.00 0.00 H new ATOM 1138 N PHE A 83 17.815 4.726 -2.151 1.00 0.00 N ATOM 1139 CA PHE A 83 17.128 6.039 -2.396 1.00 0.00 C ATOM 1140 C PHE A 83 18.195 7.107 -2.662 1.00 0.00 C ATOM 1141 O PHE A 83 18.126 8.205 -2.149 1.00 0.00 O ATOM 1142 CB PHE A 83 16.269 6.483 -1.188 1.00 0.00 C ATOM 1143 CG PHE A 83 15.288 5.385 -0.801 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.744 4.202 -0.199 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.911 5.551 -1.045 1.00 0.00 C ATOM 1146 CE1 PHE A 83 14.837 3.198 0.156 1.00 0.00 C ATOM 1147 CE2 PHE A 83 13.008 4.543 -0.688 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.471 3.368 -0.088 1.00 0.00 C ATOM 0 H PHE A 83 18.009 4.515 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 83 16.464 5.917 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.914 6.717 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 83 15.725 7.394 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.799 4.066 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.551 6.458 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.193 2.290 0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.952 4.673 -0.876 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.773 2.591 0.187 1.00 0.00 H new ATOM 1158 N HIS A 84 19.184 6.779 -3.453 1.00 0.00 N ATOM 1159 CA HIS A 84 20.279 7.749 -3.762 1.00 0.00 C ATOM 1160 C HIS A 84 21.224 7.852 -2.564 1.00 0.00 C ATOM 1161 O HIS A 84 21.814 8.883 -2.310 1.00 0.00 O ATOM 1162 CB HIS A 84 19.699 9.131 -4.079 1.00 0.00 C ATOM 1163 CG HIS A 84 20.803 10.029 -4.567 1.00 0.00 C ATOM 1164 ND1 HIS A 84 21.555 10.988 -3.934 1.00 0.00 N flip ATOM 1165 CD2 HIS A 84 21.260 9.992 -5.875 1.00 0.00 C flip ATOM 1166 CE1 HIS A 84 22.464 11.539 -4.834 1.00 0.00 C flip ATOM 1167 NE2 HIS A 84 22.243 10.903 -5.987 1.00 0.00 N flip ATOM 0 H HIS A 84 19.281 5.869 -3.904 1.00 0.00 H new ATOM 0 HA HIS A 84 20.828 7.392 -4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 84 18.920 9.047 -4.837 1.00 0.00 H new ATOM 0 HB3 HIS A 84 19.234 9.556 -3.190 1.00 0.00 H new ATOM 0 HD2 HIS A 84 20.893 9.349 -6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 84 23.191 12.314 -4.641 1.00 0.00 H new ATOM 0 HE2 HIS A 84 22.757 11.086 -6.849 1.00 0.00 H new ATOM 1175 N ASP A 85 21.377 6.777 -1.842 1.00 0.00 N ATOM 1176 CA ASP A 85 22.289 6.768 -0.656 1.00 0.00 C ATOM 1177 C ASP A 85 22.236 8.114 0.075 1.00 0.00 C ATOM 1178 O ASP A 85 23.200 8.530 0.689 1.00 0.00 O ATOM 1179 CB ASP A 85 23.723 6.506 -1.120 1.00 0.00 C ATOM 1180 CG ASP A 85 23.706 5.567 -2.329 1.00 0.00 C ATOM 1181 OD1 ASP A 85 22.950 4.611 -2.301 1.00 0.00 O ATOM 1182 OD2 ASP A 85 24.450 5.823 -3.262 1.00 0.00 O ATOM 0 H ASP A 85 20.904 5.891 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 85 21.966 5.982 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.209 7.446 -1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.303 6.063 -0.310 1.00 0.00 H new ATOM 1187 N GLU A 86 21.129 8.805 0.018 1.00 0.00 N ATOM 1188 CA GLU A 86 21.045 10.118 0.717 1.00 0.00 C ATOM 1189 C GLU A 86 19.705 10.788 0.389 1.00 0.00 C ATOM 1190 O GLU A 86 19.370 10.959 -0.766 1.00 0.00 O ATOM 1191 CB GLU A 86 22.188 11.016 0.244 1.00 0.00 C ATOM 1192 CG GLU A 86 22.818 11.714 1.450 1.00 0.00 C ATOM 1193 CD GLU A 86 23.784 12.796 0.963 1.00 0.00 C ATOM 1194 OE1 GLU A 86 23.682 13.178 -0.191 1.00 0.00 O ATOM 1195 OE2 GLU A 86 24.610 13.222 1.753 1.00 0.00 O ATOM 0 H GLU A 86 20.285 8.519 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 86 21.120 9.963 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.938 10.423 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 86 21.815 11.756 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 86 22.042 12.158 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 86 23.348 10.989 2.068 1.00 0.00 H new ATOM 1202 N PRO A 87 18.978 11.150 1.416 1.00 0.00 N ATOM 1203 CA PRO A 87 17.650 11.815 1.285 1.00 0.00 C ATOM 1204 C PRO A 87 17.819 13.331 1.107 1.00 0.00 C ATOM 1205 O PRO A 87 16.875 14.088 1.221 1.00 0.00 O ATOM 1206 CB PRO A 87 16.980 11.501 2.616 1.00 0.00 C ATOM 1207 CG PRO A 87 18.091 11.232 3.627 1.00 0.00 C ATOM 1208 CD PRO A 87 19.377 10.941 2.843 1.00 0.00 C ATOM 0 HA PRO A 87 17.078 11.473 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.358 12.336 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.326 10.634 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.229 12.093 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.832 10.386 4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 87 20.185 11.612 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.730 9.924 3.015 1.00 0.00 H new ATOM 1216 N GLU A 88 19.016 13.780 0.833 1.00 0.00 N ATOM 1217 CA GLU A 88 19.244 15.250 0.656 1.00 0.00 C ATOM 1218 C GLU A 88 18.304 15.801 -0.420 1.00 0.00 C ATOM 1219 O GLU A 88 17.867 16.932 -0.353 1.00 0.00 O ATOM 1220 CB GLU A 88 20.694 15.496 0.231 1.00 0.00 C ATOM 1221 CG GLU A 88 21.469 16.113 1.396 1.00 0.00 C ATOM 1222 CD GLU A 88 21.655 15.065 2.493 1.00 0.00 C ATOM 1223 OE1 GLU A 88 21.013 14.031 2.411 1.00 0.00 O ATOM 1224 OE2 GLU A 88 22.437 15.313 3.395 1.00 0.00 O ATOM 0 H GLU A 88 19.845 13.196 0.724 1.00 0.00 H new ATOM 0 HA GLU A 88 19.045 15.755 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 88 21.159 14.558 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.723 16.161 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.439 16.472 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 88 20.931 16.976 1.789 1.00 0.00 H new ATOM 1231 N MET A 89 17.990 15.013 -1.409 1.00 0.00 N ATOM 1232 CA MET A 89 17.079 15.495 -2.485 1.00 0.00 C ATOM 1233 C MET A 89 15.813 14.640 -2.482 1.00 0.00 C ATOM 1234 O MET A 89 15.265 14.317 -3.518 1.00 0.00 O ATOM 1235 CB MET A 89 17.780 15.376 -3.842 1.00 0.00 C ATOM 1236 CG MET A 89 19.266 15.715 -3.689 1.00 0.00 C ATOM 1237 SD MET A 89 19.724 16.985 -4.895 1.00 0.00 S ATOM 1238 CE MET A 89 18.911 16.237 -6.329 1.00 0.00 C ATOM 0 H MET A 89 18.324 14.056 -1.520 1.00 0.00 H new ATOM 0 HA MET A 89 16.818 16.539 -2.309 1.00 0.00 H new ATOM 0 HB2 MET A 89 17.666 14.365 -4.233 1.00 0.00 H new ATOM 0 HB3 MET A 89 17.316 16.050 -4.562 1.00 0.00 H new ATOM 0 HG2 MET A 89 19.467 16.070 -2.678 1.00 0.00 H new ATOM 0 HG3 MET A 89 19.871 14.821 -3.839 1.00 0.00 H new ATOM 0 HE1 MET A 89 19.434 16.532 -7.239 1.00 0.00 H new ATOM 0 HE2 MET A 89 18.932 15.151 -6.234 1.00 0.00 H new ATOM 0 HE3 MET A 89 17.876 16.577 -6.379 1.00 0.00 H new ATOM 1248 N ALA A 90 15.348 14.270 -1.322 1.00 0.00 N ATOM 1249 CA ALA A 90 14.118 13.431 -1.245 1.00 0.00 C ATOM 1250 C ALA A 90 13.884 12.991 0.202 1.00 0.00 C ATOM 1251 O ALA A 90 14.575 12.133 0.713 1.00 0.00 O ATOM 1252 CB ALA A 90 14.293 12.185 -2.116 1.00 0.00 C ATOM 0 H ALA A 90 15.766 14.512 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 90 13.267 14.014 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.393 11.572 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.463 12.485 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.147 11.609 -1.760 1.00 0.00 H new ATOM 1258 N LYS A 91 12.915 13.558 0.869 1.00 0.00 N ATOM 1259 CA LYS A 91 12.653 13.146 2.275 1.00 0.00 C ATOM 1260 C LYS A 91 11.637 12.006 2.279 1.00 0.00 C ATOM 1261 O LYS A 91 10.774 11.926 3.132 1.00 0.00 O ATOM 1262 CB LYS A 91 12.106 14.329 3.072 1.00 0.00 C ATOM 1263 CG LYS A 91 11.045 15.055 2.244 1.00 0.00 C ATOM 1264 CD LYS A 91 10.150 15.879 3.171 1.00 0.00 C ATOM 1265 CE LYS A 91 9.817 17.216 2.504 1.00 0.00 C ATOM 1266 NZ LYS A 91 9.135 18.104 3.486 1.00 0.00 N ATOM 0 H LYS A 91 12.298 14.283 0.503 1.00 0.00 H new ATOM 0 HA LYS A 91 13.582 12.812 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.675 13.981 4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.914 15.014 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.523 15.704 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.445 14.334 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.233 15.331 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.654 16.051 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.729 17.690 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.175 17.053 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.908 19.013 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.257 17.651 3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.762 18.269 4.299 1.00 0.00 H new ATOM 1280 N TYR A 92 11.743 11.121 1.330 1.00 0.00 N ATOM 1281 CA TYR A 92 10.795 9.976 1.262 1.00 0.00 C ATOM 1282 C TYR A 92 9.372 10.504 1.069 1.00 0.00 C ATOM 1283 O TYR A 92 9.169 11.651 0.724 1.00 0.00 O ATOM 1284 CB TYR A 92 10.890 9.169 2.557 1.00 0.00 C ATOM 1285 CG TYR A 92 12.246 8.447 2.611 1.00 0.00 C ATOM 1286 CD1 TYR A 92 13.126 8.489 1.507 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.635 7.735 3.764 1.00 0.00 C ATOM 1288 CE1 TYR A 92 14.360 7.834 1.558 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.875 7.083 3.803 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.734 7.131 2.703 1.00 0.00 C ATOM 1291 OH TYR A 92 15.951 6.485 2.747 1.00 0.00 O ATOM 0 H TYR A 92 12.449 11.141 0.594 1.00 0.00 H new ATOM 0 HA TYR A 92 11.049 9.332 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.782 9.829 3.418 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.077 8.444 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.843 9.031 0.617 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.976 7.692 4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.026 7.872 0.708 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.168 6.540 4.689 1.00 0.00 H new ATOM 0 HH TYR A 92 16.056 6.045 3.616 1.00 0.00 H new ATOM 1301 N THR A 93 8.381 9.679 1.275 1.00 0.00 N ATOM 1302 CA THR A 93 6.978 10.144 1.083 1.00 0.00 C ATOM 1303 C THR A 93 6.017 9.255 1.877 1.00 0.00 C ATOM 1304 O THR A 93 6.286 8.095 2.128 1.00 0.00 O ATOM 1305 CB THR A 93 6.622 10.074 -0.404 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.742 9.586 -1.131 1.00 0.00 O ATOM 1307 CG2 THR A 93 6.251 11.467 -0.910 1.00 0.00 C ATOM 0 H THR A 93 8.482 8.707 1.567 1.00 0.00 H new ATOM 0 HA THR A 93 6.889 11.171 1.438 1.00 0.00 H new ATOM 0 HB THR A 93 5.774 9.404 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.810 8.615 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.998 11.414 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.394 11.841 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.096 12.141 -0.772 1.00 0.00 H new ATOM 1315 N THR A 94 4.894 9.793 2.269 1.00 0.00 N ATOM 1316 CA THR A 94 3.906 8.993 3.046 1.00 0.00 C ATOM 1317 C THR A 94 2.651 8.769 2.191 1.00 0.00 C ATOM 1318 O THR A 94 2.288 9.597 1.380 1.00 0.00 O ATOM 1319 CB THR A 94 3.537 9.757 4.327 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.929 8.862 5.250 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.559 10.886 3.994 1.00 0.00 C ATOM 0 H THR A 94 4.618 10.757 2.083 1.00 0.00 H new ATOM 0 HA THR A 94 4.335 8.027 3.312 1.00 0.00 H new ATOM 0 HB THR A 94 4.440 10.182 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.694 9.346 6.069 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.301 11.424 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.023 11.573 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.655 10.466 3.552 1.00 0.00 H new ATOM 1329 N CYS A 95 1.977 7.661 2.371 1.00 0.00 N ATOM 1330 CA CYS A 95 0.745 7.402 1.575 1.00 0.00 C ATOM 1331 C CYS A 95 -0.172 6.505 2.403 1.00 0.00 C ATOM 1332 O CYS A 95 0.262 5.885 3.352 1.00 0.00 O ATOM 1333 CB CYS A 95 1.110 6.703 0.257 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.393 6.100 -0.563 1.00 0.00 S ATOM 0 H CYS A 95 2.228 6.928 3.034 1.00 0.00 H new ATOM 0 HA CYS A 95 0.244 8.341 1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.638 7.396 -0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.786 5.871 0.452 1.00 0.00 H new ATOM 1339 N THR A 96 -1.432 6.435 2.083 1.00 0.00 N ATOM 1340 CA THR A 96 -2.337 5.569 2.898 1.00 0.00 C ATOM 1341 C THR A 96 -3.483 5.040 2.042 1.00 0.00 C ATOM 1342 O THR A 96 -4.319 5.794 1.595 1.00 0.00 O ATOM 1343 CB THR A 96 -2.918 6.392 4.044 1.00 0.00 C ATOM 1344 OG1 THR A 96 -1.868 7.085 4.706 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.633 5.466 5.030 1.00 0.00 C ATOM 0 H THR A 96 -1.873 6.929 1.307 1.00 0.00 H new ATOM 0 HA THR A 96 -1.763 4.727 3.286 1.00 0.00 H new ATOM 0 HB THR A 96 -3.634 7.113 3.650 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.162 7.342 5.605 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.047 6.056 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.439 4.941 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.923 4.741 5.429 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.556 3.754 1.821 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.694 3.250 0.980 1.00 0.00 C ATOM 1355 C PHE A 97 -5.847 2.760 1.853 1.00 0.00 C ATOM 1356 O PHE A 97 -5.712 2.563 3.046 1.00 0.00 O ATOM 1357 CB PHE A 97 -4.297 2.087 0.056 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.806 1.877 -0.033 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.921 2.960 -0.077 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -2.319 0.569 -0.113 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.544 2.725 -0.193 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.949 0.335 -0.240 1.00 0.00 C ATOM 1363 CZ PHE A 97 -0.059 1.412 -0.279 1.00 0.00 C ATOM 0 H PHE A 97 -2.906 3.049 2.169 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.994 4.102 0.370 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.765 1.171 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.691 2.275 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.297 3.971 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.006 -0.264 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.145 3.557 -0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.577 -0.677 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.002 1.233 -0.375 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.983 2.543 1.237 1.00 0.00 N ATOM 1374 CA VAL A 98 -8.172 2.044 1.980 1.00 0.00 C ATOM 1375 C VAL A 98 -8.807 0.907 1.171 1.00 0.00 C ATOM 1376 O VAL A 98 -9.439 1.131 0.157 1.00 0.00 O ATOM 1377 CB VAL A 98 -9.176 3.186 2.150 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.385 2.687 2.941 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.512 4.338 2.907 1.00 0.00 C ATOM 0 H VAL A 98 -7.135 2.693 0.240 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.880 1.678 2.965 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.501 3.534 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.101 3.500 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.857 1.865 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.060 2.340 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.226 5.153 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.188 3.990 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.649 4.693 2.344 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.634 -0.313 1.603 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.210 -1.465 0.854 1.00 0.00 C ATOM 1391 C VAL A 99 -10.641 -1.720 1.325 1.00 0.00 C ATOM 1392 O VAL A 99 -11.019 -1.364 2.420 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.359 -2.710 1.117 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.676 -3.784 0.074 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.877 -2.340 1.033 1.00 0.00 C ATOM 0 H VAL A 99 -8.116 -0.562 2.446 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.216 -1.240 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.584 -3.097 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.068 -4.668 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.731 -4.050 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.455 -3.400 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.270 -3.226 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.655 -1.951 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.649 -1.579 1.780 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.440 -2.338 0.507 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.843 -2.617 0.911 1.00 0.00 C ATOM 1407 C TYR A 100 -13.087 -4.129 0.852 1.00 0.00 C ATOM 1408 O TYR A 100 -12.516 -4.826 0.040 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.788 -1.898 -0.050 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.114 -1.567 0.676 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.112 -0.879 1.912 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -16.360 -1.949 0.118 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.318 -0.582 2.561 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.556 -1.643 0.779 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.534 -0.962 1.996 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.720 -0.663 2.641 1.00 0.00 O ATOM 0 H TYR A 100 -11.183 -2.663 -0.425 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.022 -2.262 1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.323 -0.982 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.985 -2.525 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.175 -0.581 2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -16.387 -2.479 -0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.305 -0.056 3.504 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.500 -1.936 0.344 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.474 -0.998 2.111 1.00 0.00 H new ATOM 1426 N SER A 101 -13.930 -4.644 1.701 1.00 0.00 N ATOM 1427 CA SER A 101 -14.202 -6.109 1.679 1.00 0.00 C ATOM 1428 C SER A 101 -15.687 -6.339 1.949 1.00 0.00 C ATOM 1429 O SER A 101 -16.113 -6.434 3.081 1.00 0.00 O ATOM 1430 CB SER A 101 -13.365 -6.818 2.750 1.00 0.00 C ATOM 1431 OG SER A 101 -13.520 -8.223 2.614 1.00 0.00 O ATOM 0 H SER A 101 -14.442 -4.116 2.408 1.00 0.00 H new ATOM 0 HA SER A 101 -13.934 -6.515 0.703 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.315 -6.545 2.647 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.681 -6.500 3.744 1.00 0.00 H new ATOM 0 HG SER A 101 -12.985 -8.679 3.297 1.00 0.00 H new ATOM 1437 N ILE A 102 -16.473 -6.424 0.911 1.00 0.00 N ATOM 1438 CA ILE A 102 -17.946 -6.644 1.105 1.00 0.00 C ATOM 1439 C ILE A 102 -18.169 -8.060 1.646 1.00 0.00 C ATOM 1440 O ILE A 102 -17.952 -9.020 0.924 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.698 -6.501 -0.233 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.887 -5.639 -1.209 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -20.058 -5.843 0.014 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -18.775 -5.207 -2.380 1.00 0.00 C ATOM 0 H ILE A 102 -16.168 -6.352 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 102 -18.324 -5.899 1.805 1.00 0.00 H new ATOM 0 HB ILE A 102 -18.839 -7.491 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.495 -4.762 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -17.029 -6.201 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -20.590 -5.742 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -20.643 -6.461 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -19.910 -4.857 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -18.195 -4.595 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -19.145 -6.090 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -19.618 -4.628 -2.003 1.00 0.00 H new ATOM 1456 N PRO A 103 -18.581 -8.172 2.898 1.00 0.00 N ATOM 1457 CA PRO A 103 -18.822 -9.490 3.546 1.00 0.00 C ATOM 1458 C PRO A 103 -20.236 -10.010 3.273 1.00 0.00 C ATOM 1459 O PRO A 103 -20.468 -11.203 3.271 1.00 0.00 O ATOM 1460 CB PRO A 103 -18.633 -9.187 5.028 1.00 0.00 C ATOM 1461 CG PRO A 103 -18.921 -7.703 5.215 1.00 0.00 C ATOM 1462 CD PRO A 103 -18.848 -7.029 3.836 1.00 0.00 C ATOM 0 HA PRO A 103 -18.156 -10.268 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.307 -9.791 5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -17.618 -9.427 5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.906 -7.559 5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.197 -7.257 5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -19.779 -6.517 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -18.054 -6.283 3.796 1.00 0.00 H new ATOM 1470 N TRP A 104 -21.191 -9.145 3.059 1.00 0.00 N ATOM 1471 CA TRP A 104 -22.582 -9.656 2.812 1.00 0.00 C ATOM 1472 C TRP A 104 -22.718 -10.256 1.405 1.00 0.00 C ATOM 1473 O TRP A 104 -23.758 -10.777 1.057 1.00 0.00 O ATOM 1474 CB TRP A 104 -23.595 -8.526 2.949 1.00 0.00 C ATOM 1475 CG TRP A 104 -23.424 -7.570 1.814 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -23.790 -7.805 0.531 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -22.852 -6.235 1.838 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -23.511 -6.681 -0.225 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -22.931 -5.686 0.536 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -22.288 -5.455 2.858 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.474 -4.399 0.259 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -21.824 -4.157 2.583 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -21.922 -3.628 1.285 1.00 0.00 C ATOM 0 H TRP A 104 -21.080 -8.131 3.043 1.00 0.00 H new ATOM 0 HA TRP A 104 -22.775 -10.431 3.554 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -24.608 -8.928 2.951 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -23.455 -8.010 3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -24.228 -8.720 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -23.709 -6.598 -1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -22.210 -5.853 3.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.546 -4.000 -0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.390 -3.563 3.374 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.571 -2.627 1.081 1.00 0.00 H new ATOM 1494 N LEU A 105 -21.697 -10.194 0.597 1.00 0.00 N ATOM 1495 CA LEU A 105 -21.791 -10.757 -0.765 1.00 0.00 C ATOM 1496 C LEU A 105 -20.565 -11.635 -1.025 1.00 0.00 C ATOM 1497 O LEU A 105 -20.700 -12.758 -1.454 1.00 0.00 O ATOM 1498 CB LEU A 105 -21.847 -9.628 -1.782 1.00 0.00 C ATOM 1499 CG LEU A 105 -23.077 -9.793 -2.650 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -23.016 -11.134 -3.349 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -24.352 -9.737 -1.817 1.00 0.00 C ATOM 0 H LEU A 105 -20.798 -9.773 0.830 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.696 -11.358 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -21.875 -8.665 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -20.949 -9.635 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.094 -8.978 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -23.899 -11.258 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -22.121 -11.180 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -22.983 -11.931 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.218 -9.858 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -24.339 -10.538 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -24.413 -8.775 -1.309 1.00 0.00 H new ATOM 1513 N ASN A 106 -19.382 -11.109 -0.745 1.00 0.00 N ATOM 1514 CA ASN A 106 -18.085 -11.854 -0.932 1.00 0.00 C ATOM 1515 C ASN A 106 -17.244 -11.145 -2.003 1.00 0.00 C ATOM 1516 O ASN A 106 -17.001 -11.666 -3.072 1.00 0.00 O ATOM 1517 CB ASN A 106 -18.305 -13.334 -1.323 1.00 0.00 C ATOM 1518 CG ASN A 106 -18.707 -13.451 -2.800 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -19.158 -12.492 -3.396 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -18.563 -14.593 -3.414 1.00 0.00 N ATOM 0 H ASN A 106 -19.263 -10.163 -0.383 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.559 -11.853 0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -17.392 -13.902 -1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -19.081 -13.770 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.829 -14.682 -4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.185 -15.397 -2.913 1.00 0.00 H new ATOM 1527 N GLN A 107 -16.767 -9.959 -1.720 1.00 0.00 N ATOM 1528 CA GLN A 107 -15.926 -9.259 -2.746 1.00 0.00 C ATOM 1529 C GLN A 107 -14.989 -8.247 -2.089 1.00 0.00 C ATOM 1530 O GLN A 107 -15.108 -7.925 -0.922 1.00 0.00 O ATOM 1531 CB GLN A 107 -16.799 -8.551 -3.783 1.00 0.00 C ATOM 1532 CG GLN A 107 -16.208 -8.773 -5.177 1.00 0.00 C ATOM 1533 CD GLN A 107 -17.292 -8.553 -6.233 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -17.621 -7.429 -6.558 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -17.867 -9.587 -6.786 1.00 0.00 N ATOM 0 H GLN A 107 -16.916 -9.453 -0.847 1.00 0.00 H new ATOM 0 HA GLN A 107 -15.328 -10.019 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -17.818 -8.936 -3.742 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -16.852 -7.485 -3.563 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.378 -8.087 -5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.808 -9.784 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.591 -10.530 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -18.592 -9.451 -7.491 1.00 0.00 H new ATOM 1544 N ILE A 108 -14.052 -7.756 -2.848 1.00 0.00 N ATOM 1545 CA ILE A 108 -13.072 -6.770 -2.308 1.00 0.00 C ATOM 1546 C ILE A 108 -12.969 -5.577 -3.263 1.00 0.00 C ATOM 1547 O ILE A 108 -13.420 -5.630 -4.390 1.00 0.00 O ATOM 1548 CB ILE A 108 -11.701 -7.446 -2.189 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -10.703 -6.493 -1.527 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -11.197 -7.817 -3.584 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -9.347 -7.189 -1.395 1.00 0.00 C ATOM 0 H ILE A 108 -13.920 -7.997 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.400 -6.422 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.797 -8.344 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.602 -5.585 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.067 -6.192 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.222 -8.298 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.902 -8.502 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.107 -6.916 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.635 -6.512 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.456 -8.085 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.983 -7.467 -2.384 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.377 -4.503 -2.822 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.238 -3.309 -3.698 1.00 0.00 C ATOM 1565 C LYS A 109 -11.057 -2.466 -3.217 1.00 0.00 C ATOM 1566 O LYS A 109 -10.366 -2.819 -2.282 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.518 -2.474 -3.629 1.00 0.00 C ATOM 1568 CG LYS A 109 -13.861 -1.943 -5.021 1.00 0.00 C ATOM 1569 CD LYS A 109 -15.308 -2.304 -5.362 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.448 -2.483 -6.875 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.255 -1.364 -7.438 1.00 0.00 N ATOM 0 H LYS A 109 -11.982 -4.401 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.067 -3.628 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.340 -3.081 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.386 -1.644 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.728 -0.862 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.184 -2.369 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.595 -3.222 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.981 -1.520 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.463 -2.505 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.927 -3.437 -7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.349 -1.487 -8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.199 -1.363 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.781 -0.460 -7.240 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.832 -1.344 -3.841 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.718 -0.462 -3.430 1.00 0.00 C ATOM 1587 C LEU A 110 -10.193 0.985 -3.561 1.00 0.00 C ATOM 1588 O LEU A 110 -10.036 1.616 -4.587 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.517 -0.696 -4.339 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.292 0.032 -3.775 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.464 1.545 -3.929 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.138 -0.316 -2.292 1.00 0.00 C ATOM 0 H LEU A 110 -11.383 -1.001 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.423 -0.673 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.312 -1.764 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.735 -0.336 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.403 -0.282 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.589 2.054 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.573 1.793 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.353 1.867 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.268 0.199 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.031 -0.003 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.006 -1.392 -2.183 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.796 1.497 -2.532 1.00 0.00 N ATOM 1605 CA LEU A 111 -11.322 2.888 -2.563 1.00 0.00 C ATOM 1606 C LEU A 111 -10.335 3.801 -3.282 1.00 0.00 C ATOM 1607 O LEU A 111 -10.617 4.318 -4.344 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.528 3.374 -1.130 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.707 4.348 -1.087 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.990 3.601 -1.460 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.844 4.931 0.321 1.00 0.00 C ATOM 0 H LEU A 111 -10.951 1.003 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.272 2.908 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.718 2.527 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.624 3.864 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.536 5.159 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.834 4.290 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.892 3.189 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.159 2.791 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.685 5.624 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -13.016 4.124 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.929 5.460 0.586 1.00 0.00 H new ATOM 1623 N GLU A 112 -9.177 4.001 -2.719 1.00 0.00 N ATOM 1624 CA GLU A 112 -8.184 4.888 -3.402 1.00 0.00 C ATOM 1625 C GLU A 112 -6.856 4.881 -2.645 1.00 0.00 C ATOM 1626 O GLU A 112 -6.721 4.273 -1.600 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.717 6.330 -3.456 1.00 0.00 C ATOM 1628 CG GLU A 112 -9.656 6.578 -2.272 1.00 0.00 C ATOM 1629 CD GLU A 112 -10.009 8.065 -2.201 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -9.583 8.798 -3.079 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -10.700 8.445 -1.271 1.00 0.00 O ATOM 0 H GLU A 112 -8.875 3.599 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.028 4.513 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.887 7.036 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.247 6.497 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.563 5.983 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.179 6.262 -1.344 1.00 0.00 H new ATOM 1638 N SER A 113 -5.877 5.563 -3.173 1.00 0.00 N ATOM 1639 CA SER A 113 -4.549 5.619 -2.504 1.00 0.00 C ATOM 1640 C SER A 113 -4.261 7.064 -2.089 1.00 0.00 C ATOM 1641 O SER A 113 -4.269 7.968 -2.902 1.00 0.00 O ATOM 1642 CB SER A 113 -3.464 5.138 -3.469 1.00 0.00 C ATOM 1643 OG SER A 113 -2.874 6.256 -4.115 1.00 0.00 O ATOM 0 H SER A 113 -5.942 6.087 -4.046 1.00 0.00 H new ATOM 0 HA SER A 113 -4.554 4.976 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.704 4.575 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.894 4.463 -4.209 1.00 0.00 H new ATOM 0 HG SER A 113 -1.965 6.389 -3.774 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.015 7.287 -0.830 1.00 0.00 N ATOM 1650 CA LYS A 114 -3.735 8.667 -0.352 1.00 0.00 C ATOM 1651 C LYS A 114 -2.223 8.892 -0.281 1.00 0.00 C ATOM 1652 O LYS A 114 -1.651 8.969 0.789 1.00 0.00 O ATOM 1653 CB LYS A 114 -4.339 8.849 1.041 1.00 0.00 C ATOM 1654 CG LYS A 114 -5.761 9.399 0.910 1.00 0.00 C ATOM 1655 CD LYS A 114 -5.770 10.881 1.289 1.00 0.00 C ATOM 1656 CE LYS A 114 -6.243 11.034 2.736 1.00 0.00 C ATOM 1657 NZ LYS A 114 -5.121 10.711 3.663 1.00 0.00 N ATOM 0 H LYS A 114 -3.996 6.568 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.175 9.386 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.353 7.896 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.726 9.532 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.119 9.271 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.439 8.843 1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.771 11.303 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.428 11.435 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.591 12.052 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.088 10.372 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.427 10.864 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.843 9.717 3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.309 11.327 3.454 1.00 0.00 H new ATOM 1671 N CYS A 115 -1.569 9.011 -1.409 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.085 9.252 -1.387 1.00 0.00 C ATOM 1673 C CYS A 115 0.198 10.701 -1.788 1.00 0.00 C ATOM 1674 O CYS A 115 -0.561 11.311 -2.515 1.00 0.00 O ATOM 1675 CB CYS A 115 0.664 8.304 -2.346 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.238 6.743 -2.478 1.00 0.00 S ATOM 0 H CYS A 115 -1.988 8.953 -2.337 1.00 0.00 H new ATOM 0 HA CYS A 115 0.271 9.058 -0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.760 8.765 -3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.674 8.123 -1.979 1.00 0.00 H new ATOM 1681 N GLN A 116 1.281 11.258 -1.322 1.00 0.00 N ATOM 1682 CA GLN A 116 1.602 12.666 -1.678 1.00 0.00 C ATOM 1683 C GLN A 116 2.950 13.053 -1.066 1.00 0.00 C ATOM 1684 CB GLN A 116 0.511 13.589 -1.134 1.00 0.00 C ATOM 1685 CG GLN A 116 0.952 15.046 -1.280 1.00 0.00 C ATOM 1686 CD GLN A 116 1.355 15.308 -2.733 1.00 0.00 C ATOM 1687 OE1 GLN A 116 2.526 15.376 -3.049 1.00 0.00 O ATOM 1688 NE2 GLN A 116 0.426 15.453 -3.637 1.00 0.00 N ATOM 0 H GLN A 116 1.956 10.799 -0.711 1.00 0.00 H new ATOM 0 HA GLN A 116 1.655 12.764 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -0.421 13.425 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.316 13.361 -0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.142 15.714 -0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.790 15.253 -0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.557 15.396 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.683 15.623 -4.609 1.00 0.00 H new TER 1697 GLN A 116