USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 874 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 7 ASN : amide:sc= -3.24 K(o=-2.2,f=-7.6!) USER MOD Set 1.2: A 113 THR OG1 : rot -29:sc= 1.05 USER MOD Set 2.1: A 95 THR OG1 : rot 96:sc= 1.21 USER MOD Set 2.2: A 98 MET CE :methyl -158:sc= -4.7! (180deg=-5.89!) USER MOD Set 3.1: A 61 LYS NZ :NH3+ 146:sc= 0.0622 (180deg=0) USER MOD Set 3.2: A 73 CYS SG : rot 180:sc= -0.0692 USER MOD Set 4.1: A 45 GLN : amide:sc= 1.06 K(o=1.6,f=-2.5!) USER MOD Set 4.2: A 47 SER OG : rot -9:sc= 0.491 USER MOD Set 5.1: A 34 MET CE :methyl 168:sc= -1.44 (180deg=-0.797) USER MOD Set 5.2: A 58 HIS : no HD1:sc= -0.85 K(o=-2.3,f=-5.2) USER MOD Single : A 2 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.6!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.539 USER MOD Single : A 8 GLN : amide:sc= -3.41! K(o=-3.4!,f=-0.66) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= 0.334 (180deg=-0.15!) USER MOD Single : A 15 SER OG : rot 6:sc= -0.0225 USER MOD Single : A 20 SER OG : rot -44:sc= 0.479 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 36 SER OG : rot 28:sc= -0.908! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 36:sc= 1.26 USER MOD Single : A 49 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.69) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 1.06 (180deg=0.123) USER MOD Single : A 57 SER OG : rot -117:sc= 0.798 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 83:sc= 0.373 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc=-0.00844 (180deg=-0.0639) USER MOD Single : A 84 LYS NZ :NH3+ -109:sc= 1.29 (180deg=-2.04!) USER MOD Single : A 86 ASN : amide:sc= -2.66! K(o=-2.7!,f=-0.76) USER MOD Single : A 87 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= -5.35! C(o=-5.4!,f=-14!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 103 HIS : no HD1:sc= -2.02 K(o=-2,f=-3.4!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.01 X(o=-1,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 1.117 4.983 6.589 1.00 0.00 N ATOM 19 CA ASN A 2 -0.036 5.631 5.983 1.00 0.00 C ATOM 20 C ASN A 2 -0.630 6.460 7.090 1.00 0.00 C ATOM 21 O ASN A 2 -1.450 5.988 7.848 1.00 0.00 O ATOM 22 CB ASN A 2 -1.108 4.639 5.500 1.00 0.00 C ATOM 23 CG ASN A 2 -0.557 3.306 5.076 1.00 0.00 C ATOM 24 OD1 ASN A 2 -0.118 3.123 3.962 1.00 0.00 O ATOM 25 ND2 ASN A 2 -0.617 2.346 5.972 1.00 0.00 N ATOM 0 HA ASN A 2 0.277 6.196 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.832 4.484 6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.647 5.081 4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.287 1.409 5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.993 2.538 6.900 1.00 0.00 H new ATOM 32 N THR A 3 -0.146 7.650 7.241 1.00 0.00 N ATOM 33 CA THR A 3 -0.507 8.436 8.384 1.00 0.00 C ATOM 34 C THR A 3 -1.661 9.423 8.092 1.00 0.00 C ATOM 35 O THR A 3 -2.340 9.378 7.026 1.00 0.00 O ATOM 36 CB THR A 3 0.769 9.159 8.928 1.00 0.00 C ATOM 37 OG1 THR A 3 0.525 9.761 10.206 1.00 0.00 O ATOM 38 CG2 THR A 3 1.254 10.221 7.954 1.00 0.00 C ATOM 0 H THR A 3 0.498 8.101 6.592 1.00 0.00 H new ATOM 0 HA THR A 3 -0.895 7.770 9.155 1.00 0.00 H new ATOM 0 HB THR A 3 1.542 8.399 9.040 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.341 10.203 10.520 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.142 10.707 8.358 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.498 9.755 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.470 10.963 7.805 1.00 0.00 H new ATOM 46 N ASP A 4 -1.864 10.286 9.049 1.00 0.00 N ATOM 47 CA ASP A 4 -2.838 11.356 9.095 1.00 0.00 C ATOM 48 C ASP A 4 -2.468 12.420 8.081 1.00 0.00 C ATOM 49 O ASP A 4 -1.742 13.350 8.392 1.00 0.00 O ATOM 50 CB ASP A 4 -2.806 11.960 10.506 1.00 0.00 C ATOM 51 CG ASP A 4 -3.873 12.998 10.787 1.00 0.00 C ATOM 52 OD1 ASP A 4 -3.737 14.163 10.368 1.00 0.00 O ATOM 53 OD2 ASP A 4 -4.830 12.668 11.501 1.00 0.00 O ATOM 0 H ASP A 4 -1.301 10.260 9.899 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.834 10.978 8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.907 11.153 11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.828 12.414 10.668 1.00 0.00 H new ATOM 58 N VAL A 5 -2.789 12.164 6.821 1.00 0.00 N ATOM 59 CA VAL A 5 -2.522 13.084 5.739 1.00 0.00 C ATOM 60 C VAL A 5 -3.090 12.506 4.470 1.00 0.00 C ATOM 61 O VAL A 5 -3.636 13.204 3.630 1.00 0.00 O ATOM 62 CB VAL A 5 -0.998 13.344 5.543 1.00 0.00 C ATOM 63 CG1 VAL A 5 -0.239 12.079 5.146 1.00 0.00 C ATOM 64 CG2 VAL A 5 -0.769 14.467 4.550 1.00 0.00 C ATOM 0 H VAL A 5 -3.246 11.302 6.524 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.987 14.039 5.985 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.595 13.655 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.818 12.313 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.355 11.326 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.638 11.694 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.301 14.632 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.207 14.198 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.237 15.380 4.919 1.00 0.00 H new ATOM 74 N LEU A 6 -3.001 11.204 4.346 1.00 0.00 N ATOM 75 CA LEU A 6 -3.423 10.601 3.129 1.00 0.00 C ATOM 76 C LEU A 6 -4.464 9.567 3.360 1.00 0.00 C ATOM 77 O LEU A 6 -5.421 9.505 2.631 1.00 0.00 O ATOM 78 CB LEU A 6 -2.250 10.015 2.346 1.00 0.00 C ATOM 79 CG LEU A 6 -1.647 8.673 2.774 1.00 0.00 C ATOM 80 CD1 LEU A 6 -0.544 8.330 1.823 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.100 8.676 4.193 1.00 0.00 C ATOM 0 H LEU A 6 -2.648 10.565 5.059 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.863 11.395 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.569 9.913 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.447 10.752 2.361 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.448 7.934 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.100 7.377 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.945 8.254 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.218 9.109 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.689 7.694 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.315 9.427 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.903 8.909 4.892 1.00 0.00 H new ATOM 93 N ASN A 7 -4.330 8.775 4.387 1.00 0.00 N ATOM 94 CA ASN A 7 -5.272 7.735 4.542 1.00 0.00 C ATOM 95 C ASN A 7 -6.505 8.256 5.183 1.00 0.00 C ATOM 96 O ASN A 7 -7.573 8.034 4.720 1.00 0.00 O ATOM 97 CB ASN A 7 -4.711 6.572 5.297 1.00 0.00 C ATOM 98 CG ASN A 7 -5.454 5.318 4.867 1.00 0.00 C ATOM 99 OD1 ASN A 7 -6.537 5.013 5.364 1.00 0.00 O ATOM 100 ND2 ASN A 7 -4.874 4.567 3.956 1.00 0.00 N ATOM 0 H ASN A 7 -3.602 8.834 5.098 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.526 7.363 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.645 6.469 5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.820 6.728 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.323 3.706 3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.976 4.846 3.562 1.00 0.00 H new ATOM 107 N GLN A 8 -6.374 9.081 6.162 1.00 0.00 N ATOM 108 CA GLN A 8 -7.576 9.604 6.726 1.00 0.00 C ATOM 109 C GLN A 8 -8.103 10.792 5.933 1.00 0.00 C ATOM 110 O GLN A 8 -9.286 11.029 5.893 1.00 0.00 O ATOM 111 CB GLN A 8 -7.544 9.739 8.256 1.00 0.00 C ATOM 112 CG GLN A 8 -6.375 10.483 8.866 1.00 0.00 C ATOM 113 CD GLN A 8 -6.395 11.956 8.568 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.012 12.726 9.276 1.00 0.00 O ATOM 115 NE2 GLN A 8 -5.677 12.370 7.551 1.00 0.00 N ATOM 0 H GLN A 8 -5.497 9.398 6.575 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.353 8.850 6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.461 10.238 8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.565 8.736 8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.382 10.337 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.445 10.055 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.171 11.696 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.625 13.366 7.335 1.00 0.00 H new ATOM 124 N GLN A 9 -7.231 11.476 5.198 1.00 0.00 N ATOM 125 CA GLN A 9 -7.715 12.557 4.370 1.00 0.00 C ATOM 126 C GLN A 9 -8.096 12.077 2.984 1.00 0.00 C ATOM 127 O GLN A 9 -9.268 12.002 2.650 1.00 0.00 O ATOM 128 CB GLN A 9 -6.760 13.748 4.295 1.00 0.00 C ATOM 129 CG GLN A 9 -6.869 14.683 5.481 1.00 0.00 C ATOM 130 CD GLN A 9 -5.928 15.868 5.411 1.00 0.00 C ATOM 131 OE1 GLN A 9 -4.834 15.797 4.847 1.00 0.00 O ATOM 132 NE2 GLN A 9 -6.358 16.967 5.980 1.00 0.00 N ATOM 0 H GLN A 9 -6.226 11.306 5.162 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.615 12.920 4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.737 13.380 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.960 14.308 3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.894 15.048 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.666 14.123 6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.270 16.982 6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.780 17.808 5.967 1.00 0.00 H new ATOM 141 N LYS A 10 -7.106 11.629 2.236 1.00 0.00 N ATOM 142 CA LYS A 10 -7.277 11.254 0.838 1.00 0.00 C ATOM 143 C LYS A 10 -8.029 9.958 0.670 1.00 0.00 C ATOM 144 O LYS A 10 -8.471 9.643 -0.406 1.00 0.00 O ATOM 145 CB LYS A 10 -5.939 11.244 0.093 1.00 0.00 C ATOM 146 CG LYS A 10 -5.760 12.398 -0.898 1.00 0.00 C ATOM 147 CD LYS A 10 -6.121 13.765 -0.310 1.00 0.00 C ATOM 148 CE LYS A 10 -5.323 14.122 0.934 1.00 0.00 C ATOM 149 NZ LYS A 10 -3.907 14.394 0.638 1.00 0.00 N ATOM 0 H LYS A 10 -6.153 11.513 2.580 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.899 12.024 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.130 11.279 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.843 10.301 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.724 12.419 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.379 12.213 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.959 14.531 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.183 13.777 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.767 14.998 1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.390 13.304 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.365 14.414 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.532 13.647 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.823 15.314 0.160 1.00 0.00 H new ATOM 163 N ILE A 11 -8.208 9.211 1.718 1.00 0.00 N ATOM 164 CA ILE A 11 -9.039 8.065 1.602 1.00 0.00 C ATOM 165 C ILE A 11 -10.425 8.391 2.073 1.00 0.00 C ATOM 166 O ILE A 11 -11.360 7.959 1.487 1.00 0.00 O ATOM 167 CB ILE A 11 -8.431 6.793 2.242 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.190 5.733 1.214 1.00 0.00 C ATOM 169 CG2 ILE A 11 -9.313 6.214 3.355 1.00 0.00 C ATOM 170 CD1 ILE A 11 -7.351 4.594 1.731 1.00 0.00 C ATOM 0 H ILE A 11 -7.799 9.373 2.638 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.109 7.801 0.547 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.483 7.104 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.148 5.344 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.697 6.178 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.839 5.324 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.440 6.957 4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.288 5.949 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.211 3.857 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.380 4.973 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.854 4.126 2.577 1.00 0.00 H new ATOM 182 N GLU A 12 -10.583 9.206 3.073 1.00 0.00 N ATOM 183 CA GLU A 12 -11.927 9.565 3.438 1.00 0.00 C ATOM 184 C GLU A 12 -12.605 10.366 2.329 1.00 0.00 C ATOM 185 O GLU A 12 -13.800 10.192 2.047 1.00 0.00 O ATOM 186 CB GLU A 12 -11.894 10.296 4.745 1.00 0.00 C ATOM 187 CG GLU A 12 -12.091 9.384 5.941 1.00 0.00 C ATOM 188 CD GLU A 12 -13.515 8.925 6.041 1.00 0.00 C ATOM 189 OE1 GLU A 12 -14.378 9.733 6.450 1.00 0.00 O ATOM 190 OE2 GLU A 12 -13.808 7.761 5.712 1.00 0.00 O ATOM 0 H GLU A 12 -9.837 9.621 3.631 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.531 8.666 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.939 10.812 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.671 11.061 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.432 8.520 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.810 9.910 6.853 1.00 0.00 H new ATOM 197 N GLU A 13 -11.822 11.186 1.660 1.00 0.00 N ATOM 198 CA GLU A 13 -12.329 12.051 0.615 1.00 0.00 C ATOM 199 C GLU A 13 -12.271 11.401 -0.779 1.00 0.00 C ATOM 200 O GLU A 13 -13.153 11.632 -1.601 1.00 0.00 O ATOM 201 CB GLU A 13 -11.596 13.378 0.627 1.00 0.00 C ATOM 202 CG GLU A 13 -10.199 13.354 0.056 1.00 0.00 C ATOM 203 CD GLU A 13 -9.547 14.705 0.099 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.723 15.494 -0.854 1.00 0.00 O ATOM 205 OE2 GLU A 13 -8.861 15.007 1.080 1.00 0.00 O ATOM 0 H GLU A 13 -10.819 11.272 1.824 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.384 12.226 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.186 14.104 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.543 13.735 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.592 12.641 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.236 13.002 -0.975 1.00 0.00 H new ATOM 212 N LEU A 14 -11.261 10.580 -1.045 1.00 0.00 N ATOM 213 CA LEU A 14 -11.185 9.959 -2.366 1.00 0.00 C ATOM 214 C LEU A 14 -11.817 8.610 -2.368 1.00 0.00 C ATOM 215 O LEU A 14 -12.193 8.110 -3.422 1.00 0.00 O ATOM 216 CB LEU A 14 -9.786 9.933 -2.978 1.00 0.00 C ATOM 217 CG LEU A 14 -9.163 11.300 -3.257 1.00 0.00 C ATOM 218 CD1 LEU A 14 -7.776 11.147 -3.839 1.00 0.00 C ATOM 219 CD2 LEU A 14 -10.047 12.114 -4.187 1.00 0.00 C ATOM 0 H LEU A 14 -10.513 10.335 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.761 10.611 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.126 9.383 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.828 9.375 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.079 11.835 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.351 12.132 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.143 10.609 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.833 10.589 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.585 13.084 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.168 11.583 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.024 12.260 -3.725 1.00 0.00 H new ATOM 231 N SER A 15 -11.821 7.943 -1.229 1.00 0.00 N ATOM 232 CA SER A 15 -12.712 6.839 -1.120 1.00 0.00 C ATOM 233 C SER A 15 -14.123 7.412 -1.182 1.00 0.00 C ATOM 234 O SER A 15 -14.644 7.479 -2.272 1.00 0.00 O ATOM 235 CB SER A 15 -12.426 5.883 0.053 1.00 0.00 C ATOM 236 OG SER A 15 -11.288 5.094 -0.227 1.00 0.00 O ATOM 0 H SER A 15 -11.243 8.143 -0.412 1.00 0.00 H new ATOM 0 HA SER A 15 -12.565 6.152 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.265 6.455 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.289 5.241 0.227 1.00 0.00 H new ATOM 0 HG SER A 15 -10.878 5.397 -1.064 1.00 0.00 H new ATOM 242 N ALA A 16 -14.732 7.878 -0.073 1.00 0.00 N ATOM 243 CA ALA A 16 -16.040 8.574 -0.168 1.00 0.00 C ATOM 244 C ALA A 16 -17.040 7.819 -1.057 1.00 0.00 C ATOM 245 O ALA A 16 -17.045 6.611 -1.078 1.00 0.00 O ATOM 246 CB ALA A 16 -15.793 9.970 -0.709 1.00 0.00 C ATOM 0 H ALA A 16 -14.358 7.792 0.872 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.488 8.620 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.741 10.502 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.129 10.510 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.332 9.902 -1.694 1.00 0.00 H new ATOM 252 N GLU A 17 -17.798 8.525 -1.873 1.00 0.00 N ATOM 253 CA GLU A 17 -18.775 7.888 -2.759 1.00 0.00 C ATOM 254 C GLU A 17 -18.108 7.139 -3.916 1.00 0.00 C ATOM 255 O GLU A 17 -18.784 6.629 -4.817 1.00 0.00 O ATOM 256 CB GLU A 17 -19.659 8.909 -3.378 1.00 0.00 C ATOM 257 CG GLU A 17 -20.387 9.820 -2.406 1.00 0.00 C ATOM 258 CD GLU A 17 -21.137 10.924 -3.113 1.00 0.00 C ATOM 259 OE1 GLU A 17 -22.142 10.635 -3.802 1.00 0.00 O ATOM 260 OE2 GLU A 17 -20.717 12.088 -3.028 1.00 0.00 O ATOM 0 H GLU A 17 -17.762 9.542 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.334 7.191 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.059 9.526 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.399 8.398 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.086 9.231 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.669 10.257 -1.712 1.00 0.00 H new ATOM 267 N ILE A 18 -16.801 7.070 -3.893 1.00 0.00 N ATOM 268 CA ILE A 18 -16.070 6.355 -4.873 1.00 0.00 C ATOM 269 C ILE A 18 -15.501 5.095 -4.215 1.00 0.00 C ATOM 270 O ILE A 18 -16.126 4.050 -4.346 1.00 0.00 O ATOM 271 CB ILE A 18 -15.099 7.223 -5.751 1.00 0.00 C ATOM 272 CG1 ILE A 18 -13.922 6.414 -6.318 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.690 8.540 -5.105 1.00 0.00 C ATOM 274 CD1 ILE A 18 -12.936 7.220 -7.146 1.00 0.00 C ATOM 0 H ILE A 18 -16.222 7.517 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.739 6.024 -5.667 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.687 7.525 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.386 5.950 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.318 5.606 -6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.020 9.080 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.578 9.143 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.179 8.340 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.141 6.566 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.452 7.662 -7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.506 8.011 -6.532 1.00 0.00 H new ATOM 286 N GLY A 19 -14.339 5.087 -3.545 1.00 0.00 N ATOM 287 CA GLY A 19 -13.840 3.995 -2.722 1.00 0.00 C ATOM 288 C GLY A 19 -14.773 3.385 -1.667 1.00 0.00 C ATOM 289 O GLY A 19 -14.607 2.225 -1.376 1.00 0.00 O ATOM 0 H GLY A 19 -13.699 5.881 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.527 3.193 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.946 4.349 -2.208 1.00 0.00 H new ATOM 293 N SER A 20 -15.778 4.073 -1.134 1.00 0.00 N ATOM 294 CA SER A 20 -16.752 3.479 -0.154 1.00 0.00 C ATOM 295 C SER A 20 -17.646 2.435 -0.847 1.00 0.00 C ATOM 296 O SER A 20 -18.633 1.950 -0.299 1.00 0.00 O ATOM 297 CB SER A 20 -17.550 4.522 0.655 1.00 0.00 C ATOM 298 OG SER A 20 -18.366 3.939 1.665 1.00 0.00 O ATOM 0 H SER A 20 -15.961 5.053 -1.351 1.00 0.00 H new ATOM 0 HA SER A 20 -16.161 2.964 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.856 5.224 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.179 5.097 -0.025 1.00 0.00 H new ATOM 0 HG SER A 20 -18.826 3.154 1.301 1.00 0.00 H new ATOM 304 N ASP A 21 -17.202 2.032 -2.027 1.00 0.00 N ATOM 305 CA ASP A 21 -18.004 1.328 -2.985 1.00 0.00 C ATOM 306 C ASP A 21 -17.016 0.449 -3.746 1.00 0.00 C ATOM 307 O ASP A 21 -17.247 -0.732 -3.964 1.00 0.00 O ATOM 308 CB ASP A 21 -18.599 2.264 -3.981 1.00 0.00 C ATOM 309 CG ASP A 21 -19.571 1.574 -4.903 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.748 1.449 -4.544 1.00 0.00 O ATOM 311 OD2 ASP A 21 -19.164 1.107 -5.989 1.00 0.00 O ATOM 0 H ASP A 21 -16.246 2.196 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 21 -18.809 0.787 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.109 3.072 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.803 2.719 -4.570 1.00 0.00 H new ATOM 316 N ASN A 22 -15.858 1.047 -4.075 1.00 0.00 N ATOM 317 CA ASN A 22 -14.822 0.405 -4.901 1.00 0.00 C ATOM 318 C ASN A 22 -13.609 -0.089 -4.079 1.00 0.00 C ATOM 319 O ASN A 22 -13.071 -1.148 -4.356 1.00 0.00 O ATOM 320 CB ASN A 22 -14.339 1.399 -5.986 1.00 0.00 C ATOM 321 CG ASN A 22 -13.280 0.837 -6.942 1.00 0.00 C ATOM 322 OD1 ASN A 22 -13.242 -0.350 -7.235 1.00 0.00 O ATOM 323 ND2 ASN A 22 -12.419 1.700 -7.452 1.00 0.00 N ATOM 0 H ASN A 22 -15.614 1.991 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.277 -0.475 -5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.200 1.725 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.933 2.283 -5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.703 1.381 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.470 2.685 -7.193 1.00 0.00 H new ATOM 330 N VAL A 23 -13.177 0.662 -3.064 1.00 0.00 N ATOM 331 CA VAL A 23 -11.967 0.273 -2.310 1.00 0.00 C ATOM 332 C VAL A 23 -12.071 -1.073 -1.563 1.00 0.00 C ATOM 333 O VAL A 23 -11.110 -1.823 -1.609 1.00 0.00 O ATOM 334 CB VAL A 23 -11.275 1.397 -1.449 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.970 1.683 -0.127 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.802 1.088 -1.216 1.00 0.00 C ATOM 0 H VAL A 23 -13.627 1.520 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.265 0.110 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.364 2.306 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.432 2.468 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.993 2.009 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.984 0.778 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.354 1.882 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.708 0.140 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.288 1.021 -2.175 1.00 0.00 H new ATOM 346 N PRO A 24 -13.223 -1.453 -0.897 1.00 0.00 N ATOM 347 CA PRO A 24 -13.331 -2.784 -0.290 1.00 0.00 C ATOM 348 C PRO A 24 -13.242 -3.832 -1.386 1.00 0.00 C ATOM 349 O PRO A 24 -12.801 -4.957 -1.160 1.00 0.00 O ATOM 350 CB PRO A 24 -14.728 -2.802 0.346 1.00 0.00 C ATOM 351 CG PRO A 24 -15.074 -1.371 0.516 1.00 0.00 C ATOM 352 CD PRO A 24 -14.453 -0.672 -0.655 1.00 0.00 C ATOM 0 HA PRO A 24 -12.546 -2.992 0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.449 -3.312 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.723 -3.326 1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.154 -1.227 0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.686 -0.982 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.112 -0.678 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.231 0.371 -0.430 1.00 0.00 H new ATOM 360 N VAL A 25 -13.727 -3.453 -2.572 1.00 0.00 N ATOM 361 CA VAL A 25 -13.531 -4.320 -3.718 1.00 0.00 C ATOM 362 C VAL A 25 -12.026 -4.465 -4.020 1.00 0.00 C ATOM 363 O VAL A 25 -11.469 -5.536 -3.846 1.00 0.00 O ATOM 364 CB VAL A 25 -14.284 -3.828 -4.985 1.00 0.00 C ATOM 365 CG1 VAL A 25 -14.083 -4.791 -6.153 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.765 -3.656 -4.693 1.00 0.00 C ATOM 0 H VAL A 25 -14.236 -2.588 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.953 -5.291 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.868 -2.861 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.621 -4.422 -7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.021 -4.864 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.464 -5.776 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.275 -3.311 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.187 -4.611 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.896 -2.923 -3.897 1.00 0.00 H new ATOM 376 N LEU A 26 -11.360 -3.368 -4.363 1.00 0.00 N ATOM 377 CA LEU A 26 -9.986 -3.337 -4.869 1.00 0.00 C ATOM 378 C LEU A 26 -8.955 -3.790 -3.807 1.00 0.00 C ATOM 379 O LEU A 26 -8.221 -4.762 -4.000 1.00 0.00 O ATOM 380 CB LEU A 26 -9.696 -1.878 -5.347 1.00 0.00 C ATOM 381 CG LEU A 26 -8.548 -1.641 -6.344 1.00 0.00 C ATOM 382 CD1 LEU A 26 -7.188 -1.936 -5.737 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.793 -2.481 -7.578 1.00 0.00 C ATOM 0 H LEU A 26 -11.775 -2.439 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.888 -4.042 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.610 -1.490 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.495 -1.274 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.534 -0.585 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.411 -1.754 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.026 -1.288 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.149 -2.978 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.986 -2.322 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.829 -3.534 -7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.741 -2.193 -8.032 1.00 0.00 H new ATOM 395 N LEU A 27 -8.875 -2.984 -2.777 1.00 0.00 N ATOM 396 CA LEU A 27 -7.917 -3.214 -1.700 1.00 0.00 C ATOM 397 C LEU A 27 -7.908 -4.677 -1.236 1.00 0.00 C ATOM 398 O LEU A 27 -6.856 -5.280 -1.110 1.00 0.00 O ATOM 399 CB LEU A 27 -8.234 -2.313 -0.507 1.00 0.00 C ATOM 400 CG LEU A 27 -7.432 -2.596 0.761 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.967 -2.202 0.605 1.00 0.00 C ATOM 402 CD2 LEU A 27 -8.060 -1.941 1.976 1.00 0.00 C ATOM 0 H LEU A 27 -9.460 -2.158 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.930 -2.977 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.063 -1.277 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.295 -2.408 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.458 -3.674 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.431 -2.419 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.523 -2.768 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.898 -1.136 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.462 -2.164 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.100 -0.862 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.070 -2.326 2.115 1.00 0.00 H new ATOM 414 N ASP A 28 -9.070 -5.262 -1.053 1.00 0.00 N ATOM 415 CA ASP A 28 -9.117 -6.616 -0.524 1.00 0.00 C ATOM 416 C ASP A 28 -8.753 -7.667 -1.582 1.00 0.00 C ATOM 417 O ASP A 28 -8.187 -8.704 -1.254 1.00 0.00 O ATOM 418 CB ASP A 28 -10.471 -6.914 0.115 1.00 0.00 C ATOM 419 CG ASP A 28 -10.465 -8.207 0.909 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.973 -8.200 2.062 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.977 -9.231 0.413 1.00 0.00 O ATOM 0 H ASP A 28 -9.976 -4.840 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.358 -6.679 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.749 -6.089 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.232 -6.973 -0.663 1.00 0.00 H new ATOM 426 N ILE A 29 -9.003 -7.375 -2.858 1.00 0.00 N ATOM 427 CA ILE A 29 -8.730 -8.353 -3.911 1.00 0.00 C ATOM 428 C ILE A 29 -7.260 -8.333 -4.318 1.00 0.00 C ATOM 429 O ILE A 29 -6.589 -9.358 -4.307 1.00 0.00 O ATOM 430 CB ILE A 29 -9.623 -8.183 -5.183 1.00 0.00 C ATOM 431 CG1 ILE A 29 -9.469 -6.773 -5.769 1.00 0.00 C ATOM 432 CG2 ILE A 29 -11.078 -8.486 -4.862 1.00 0.00 C ATOM 433 CD1 ILE A 29 -10.138 -6.511 -7.091 1.00 0.00 C ATOM 0 H ILE A 29 -9.386 -6.488 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.981 -9.318 -3.471 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.289 -8.898 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.859 -6.059 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.405 -6.566 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.682 -8.362 -5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.166 -9.512 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.430 -7.802 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.954 -5.480 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.734 -7.188 -7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.211 -6.674 -6.994 1.00 0.00 H new ATOM 445 N PHE A 30 -6.747 -7.147 -4.618 1.00 0.00 N ATOM 446 CA PHE A 30 -5.406 -6.966 -5.127 1.00 0.00 C ATOM 447 C PHE A 30 -4.368 -7.330 -4.088 1.00 0.00 C ATOM 448 O PHE A 30 -3.298 -7.796 -4.401 1.00 0.00 O ATOM 449 CB PHE A 30 -5.270 -5.538 -5.658 1.00 0.00 C ATOM 450 CG PHE A 30 -5.805 -5.323 -7.069 1.00 0.00 C ATOM 451 CD1 PHE A 30 -6.571 -6.287 -7.711 1.00 0.00 C ATOM 452 CD2 PHE A 30 -5.519 -4.154 -7.763 1.00 0.00 C ATOM 453 CE1 PHE A 30 -7.029 -6.086 -8.998 1.00 0.00 C ATOM 454 CE2 PHE A 30 -5.979 -3.951 -9.047 1.00 0.00 C ATOM 455 CZ PHE A 30 -6.731 -4.919 -9.666 1.00 0.00 C ATOM 0 H PHE A 30 -7.264 -6.274 -4.511 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.223 -7.648 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.793 -4.863 -4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.217 -5.257 -5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.812 -7.206 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.924 -3.388 -7.287 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.623 -6.847 -9.483 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.748 -3.032 -9.565 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.088 -4.766 -10.674 1.00 0.00 H new ATOM 465 N LEU A 31 -4.795 -7.276 -2.868 1.00 0.00 N ATOM 466 CA LEU A 31 -3.969 -7.664 -1.802 1.00 0.00 C ATOM 467 C LEU A 31 -4.213 -9.101 -1.443 1.00 0.00 C ATOM 468 O LEU A 31 -3.277 -9.853 -1.376 1.00 0.00 O ATOM 469 CB LEU A 31 -4.096 -6.682 -0.629 1.00 0.00 C ATOM 470 CG LEU A 31 -3.423 -5.299 -0.800 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.933 -5.449 -1.079 1.00 0.00 C ATOM 472 CD2 LEU A 31 -4.063 -4.447 -1.892 1.00 0.00 C ATOM 0 H LEU A 31 -5.726 -6.961 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.924 -7.613 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.156 -6.522 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.676 -7.156 0.258 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.572 -4.778 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.483 -4.463 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.458 -5.969 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.790 -6.023 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.543 -3.491 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.992 -4.967 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.112 -4.274 -1.651 1.00 0.00 H new ATOM 484 N GLY A 32 -5.470 -9.509 -1.334 1.00 0.00 N ATOM 485 CA GLY A 32 -5.803 -10.877 -0.964 1.00 0.00 C ATOM 486 C GLY A 32 -5.340 -11.926 -1.968 1.00 0.00 C ATOM 487 O GLY A 32 -4.927 -13.014 -1.580 1.00 0.00 O ATOM 0 H GLY A 32 -6.279 -8.909 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.358 -11.098 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.884 -10.956 -0.845 1.00 0.00 H new ATOM 491 N GLU A 33 -5.414 -11.624 -3.252 1.00 0.00 N ATOM 492 CA GLU A 33 -4.997 -12.575 -4.288 1.00 0.00 C ATOM 493 C GLU A 33 -3.487 -12.493 -4.511 1.00 0.00 C ATOM 494 O GLU A 33 -2.825 -13.478 -4.854 1.00 0.00 O ATOM 495 CB GLU A 33 -5.802 -12.342 -5.555 1.00 0.00 C ATOM 496 CG GLU A 33 -7.290 -12.342 -5.251 1.00 0.00 C ATOM 497 CD GLU A 33 -8.154 -12.250 -6.477 1.00 0.00 C ATOM 498 OE1 GLU A 33 -8.321 -13.274 -7.186 1.00 0.00 O ATOM 499 OE2 GLU A 33 -8.716 -11.178 -6.746 1.00 0.00 O ATOM 0 H GLU A 33 -5.757 -10.732 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.204 -13.594 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.517 -11.390 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.575 -13.119 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.541 -13.253 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.518 -11.504 -4.592 1.00 0.00 H new ATOM 506 N MET A 34 -2.975 -11.300 -4.293 1.00 0.00 N ATOM 507 CA MET A 34 -1.508 -11.234 -4.273 1.00 0.00 C ATOM 508 C MET A 34 -0.966 -12.036 -3.129 1.00 0.00 C ATOM 509 O MET A 34 -0.032 -12.818 -3.278 1.00 0.00 O ATOM 510 CB MET A 34 -0.985 -9.867 -4.127 1.00 0.00 C ATOM 511 CG MET A 34 -0.901 -9.151 -5.459 1.00 0.00 C ATOM 512 SD MET A 34 -0.079 -10.187 -6.688 1.00 0.00 S ATOM 513 CE MET A 34 -0.196 -9.181 -8.160 1.00 0.00 C ATOM 0 H MET A 34 -3.485 -10.430 -4.139 1.00 0.00 H new ATOM 0 HA MET A 34 -1.188 -11.630 -5.237 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.627 -9.303 -3.451 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.004 -9.903 -3.671 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.903 -8.894 -5.804 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.355 -8.215 -5.341 1.00 0.00 H new ATOM 0 HE1 MET A 34 0.449 -9.594 -8.935 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.227 -9.171 -8.513 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.119 -8.163 -7.931 1.00 0.00 H new ATOM 523 N ASP A 35 -1.640 -11.915 -2.020 1.00 0.00 N ATOM 524 CA ASP A 35 -1.355 -12.571 -0.771 1.00 0.00 C ATOM 525 C ASP A 35 -1.504 -14.048 -0.941 1.00 0.00 C ATOM 526 O ASP A 35 -0.743 -14.843 -0.372 1.00 0.00 O ATOM 527 CB ASP A 35 -2.405 -12.101 0.208 1.00 0.00 C ATOM 528 CG ASP A 35 -2.305 -12.769 1.567 1.00 0.00 C ATOM 529 OD1 ASP A 35 -1.273 -12.649 2.237 1.00 0.00 O ATOM 530 OD2 ASP A 35 -3.262 -13.478 1.967 1.00 0.00 O ATOM 0 H ASP A 35 -2.461 -11.313 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.344 -12.345 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.316 -11.022 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.393 -12.292 -0.211 1.00 0.00 H new ATOM 535 N SER A 36 -2.468 -14.386 -1.783 1.00 0.00 N ATOM 536 CA SER A 36 -2.783 -15.761 -2.033 1.00 0.00 C ATOM 537 C SER A 36 -1.602 -16.441 -2.541 1.00 0.00 C ATOM 538 O SER A 36 -1.116 -17.450 -2.019 1.00 0.00 O ATOM 539 CB SER A 36 -3.753 -15.952 -3.152 1.00 0.00 C ATOM 540 OG SER A 36 -5.025 -15.365 -2.906 1.00 0.00 O ATOM 0 H SER A 36 -3.040 -13.717 -2.299 1.00 0.00 H new ATOM 0 HA SER A 36 -3.174 -16.134 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.334 -15.524 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.883 -17.019 -3.332 1.00 0.00 H new ATOM 0 HG SER A 36 -4.921 -14.600 -2.302 1.00 0.00 H new ATOM 546 N TYR A 37 -1.131 -15.816 -3.570 1.00 0.00 N ATOM 547 CA TYR A 37 -0.135 -16.354 -4.334 1.00 0.00 C ATOM 548 C TYR A 37 1.091 -16.493 -3.650 1.00 0.00 C ATOM 549 O TYR A 37 1.711 -17.489 -3.765 1.00 0.00 O ATOM 550 CB TYR A 37 -0.049 -15.752 -5.679 1.00 0.00 C ATOM 551 CG TYR A 37 -0.804 -16.682 -6.470 1.00 0.00 C ATOM 552 CD1 TYR A 37 -2.166 -16.581 -6.611 1.00 0.00 C ATOM 553 CD2 TYR A 37 -0.142 -17.765 -6.951 1.00 0.00 C ATOM 554 CE1 TYR A 37 -2.860 -17.589 -7.245 1.00 0.00 C ATOM 555 CE2 TYR A 37 -0.783 -18.762 -7.586 1.00 0.00 C ATOM 556 CZ TYR A 37 -2.158 -18.689 -7.744 1.00 0.00 C ATOM 557 OH TYR A 37 -2.827 -19.712 -8.381 1.00 0.00 O ATOM 0 H TYR A 37 -1.457 -14.901 -3.882 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.426 -17.386 -4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.478 -14.750 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.982 -15.666 -6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.690 -15.718 -6.228 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.928 -17.828 -6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.933 -17.529 -7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.233 -19.609 -7.968 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.185 -20.396 -8.665 1.00 0.00 H new ATOM 567 N ILE A 38 1.348 -15.589 -2.817 1.00 0.00 N ATOM 568 CA ILE A 38 2.524 -15.535 -2.099 1.00 0.00 C ATOM 569 C ILE A 38 2.548 -16.547 -0.993 1.00 0.00 C ATOM 570 O ILE A 38 3.584 -17.093 -0.745 1.00 0.00 O ATOM 571 CB ILE A 38 2.783 -14.110 -1.682 1.00 0.00 C ATOM 572 CG1 ILE A 38 3.459 -13.377 -2.871 1.00 0.00 C ATOM 573 CG2 ILE A 38 3.615 -14.046 -0.401 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.765 -13.387 -4.229 1.00 0.00 C ATOM 0 H ILE A 38 0.706 -14.825 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 38 3.367 -15.828 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 38 1.845 -13.609 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.600 -12.336 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.451 -13.808 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.784 -13.004 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.082 -14.550 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.574 -14.538 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.366 -12.832 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.648 -14.416 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.784 -12.920 -4.140 1.00 0.00 H new ATOM 586 N GLY A 39 1.396 -16.851 -0.414 1.00 0.00 N ATOM 587 CA GLY A 39 1.334 -17.914 0.584 1.00 0.00 C ATOM 588 C GLY A 39 1.870 -19.223 0.012 1.00 0.00 C ATOM 589 O GLY A 39 2.646 -19.944 0.653 1.00 0.00 O ATOM 0 H GLY A 39 0.508 -16.390 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.915 -17.630 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.304 -18.050 0.914 1.00 0.00 H new ATOM 593 N THR A 40 1.532 -19.453 -1.238 1.00 0.00 N ATOM 594 CA THR A 40 1.936 -20.615 -1.951 1.00 0.00 C ATOM 595 C THR A 40 3.345 -20.396 -2.511 1.00 0.00 C ATOM 596 O THR A 40 4.238 -21.185 -2.296 1.00 0.00 O ATOM 597 CB THR A 40 0.927 -20.879 -3.076 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.400 -20.826 -2.522 1.00 0.00 O ATOM 599 CG2 THR A 40 1.148 -22.244 -3.690 1.00 0.00 C ATOM 0 H THR A 40 0.956 -18.815 -1.787 1.00 0.00 H new ATOM 0 HA THR A 40 1.960 -21.483 -1.293 1.00 0.00 H new ATOM 0 HB THR A 40 1.056 -20.124 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.057 -20.991 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.420 -22.407 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.155 -22.298 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.028 -23.011 -2.925 1.00 0.00 H new ATOM 607 N LEU A 41 3.554 -19.295 -3.200 1.00 0.00 N ATOM 608 CA LEU A 41 4.791 -18.886 -3.819 1.00 0.00 C ATOM 609 C LEU A 41 5.985 -18.749 -2.841 1.00 0.00 C ATOM 610 O LEU A 41 7.123 -18.871 -3.241 1.00 0.00 O ATOM 611 CB LEU A 41 4.479 -17.585 -4.569 1.00 0.00 C ATOM 612 CG LEU A 41 3.764 -17.744 -5.899 1.00 0.00 C ATOM 613 CD1 LEU A 41 3.502 -16.419 -6.601 1.00 0.00 C ATOM 614 CD2 LEU A 41 4.380 -18.795 -6.812 1.00 0.00 C ATOM 0 H LEU A 41 2.809 -18.615 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 41 5.137 -19.664 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.869 -16.953 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.415 -17.054 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 41 2.782 -18.141 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.989 -16.603 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.880 -15.788 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.450 -15.916 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.812 -18.848 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.413 -18.525 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.357 -19.766 -6.317 1.00 0.00 H new ATOM 626 N THR A 42 5.698 -18.450 -1.599 1.00 0.00 N ATOM 627 CA THR A 42 6.698 -18.388 -0.515 1.00 0.00 C ATOM 628 C THR A 42 7.094 -19.781 -0.084 1.00 0.00 C ATOM 629 O THR A 42 8.278 -20.108 0.015 1.00 0.00 O ATOM 630 CB THR A 42 6.240 -17.517 0.726 1.00 0.00 C ATOM 631 OG1 THR A 42 7.306 -17.366 1.646 1.00 0.00 O ATOM 632 CG2 THR A 42 5.092 -18.118 1.519 1.00 0.00 C ATOM 0 H THR A 42 4.751 -18.236 -1.287 1.00 0.00 H new ATOM 0 HA THR A 42 7.568 -17.877 -0.928 1.00 0.00 H new ATOM 0 HB THR A 42 5.918 -16.572 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.152 -17.290 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.840 -17.460 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.223 -18.233 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.388 -19.093 1.905 1.00 0.00 H new ATOM 640 N GLU A 43 6.089 -20.601 0.115 1.00 0.00 N ATOM 641 CA GLU A 43 6.316 -21.991 0.498 1.00 0.00 C ATOM 642 C GLU A 43 6.847 -22.796 -0.674 1.00 0.00 C ATOM 643 O GLU A 43 7.230 -23.950 -0.514 1.00 0.00 O ATOM 644 CB GLU A 43 5.091 -22.690 1.106 1.00 0.00 C ATOM 645 CG GLU A 43 3.916 -22.860 0.173 1.00 0.00 C ATOM 646 CD GLU A 43 2.858 -23.768 0.733 1.00 0.00 C ATOM 647 OE1 GLU A 43 2.028 -23.313 1.545 1.00 0.00 O ATOM 648 OE2 GLU A 43 2.850 -24.964 0.389 1.00 0.00 O ATOM 0 H GLU A 43 5.108 -20.340 0.021 1.00 0.00 H new ATOM 0 HA GLU A 43 7.064 -21.950 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.395 -23.674 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.763 -22.121 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.478 -21.884 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.267 -23.261 -0.778 1.00 0.00 H new ATOM 655 N LEU A 44 6.881 -22.195 -1.846 1.00 0.00 N ATOM 656 CA LEU A 44 7.365 -22.855 -3.012 1.00 0.00 C ATOM 657 C LEU A 44 8.721 -22.328 -3.453 1.00 0.00 C ATOM 658 O LEU A 44 9.573 -23.113 -3.866 1.00 0.00 O ATOM 659 CB LEU A 44 6.335 -22.717 -4.142 1.00 0.00 C ATOM 660 CG LEU A 44 5.091 -23.600 -4.058 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.211 -23.359 -5.266 1.00 0.00 C ATOM 662 CD2 LEU A 44 5.460 -25.073 -3.954 1.00 0.00 C ATOM 0 H LEU A 44 6.571 -21.236 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 44 7.504 -23.908 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.010 -21.677 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.837 -22.928 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 44 4.543 -23.334 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.325 -23.991 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.909 -22.312 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.764 -23.601 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.551 -25.672 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.033 -25.367 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.060 -25.236 -3.058 1.00 0.00 H new ATOM 674 N GLN A 45 8.947 -21.017 -3.298 1.00 0.00 N ATOM 675 CA GLN A 45 10.123 -20.423 -3.930 1.00 0.00 C ATOM 676 C GLN A 45 10.319 -18.947 -3.589 1.00 0.00 C ATOM 677 O GLN A 45 9.864 -18.473 -2.547 1.00 0.00 O ATOM 678 CB GLN A 45 9.990 -20.651 -5.435 1.00 0.00 C ATOM 679 CG GLN A 45 8.945 -19.862 -6.195 1.00 0.00 C ATOM 680 CD GLN A 45 8.743 -20.461 -7.585 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.918 -21.664 -7.779 1.00 0.00 O ATOM 682 NE2 GLN A 45 8.346 -19.664 -8.539 1.00 0.00 N ATOM 0 H GLN A 45 8.359 -20.376 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 45 11.020 -20.906 -3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.959 -20.442 -5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.786 -21.710 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.003 -19.869 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.256 -18.821 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.209 -18.671 -8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.173 -20.034 -9.474 1.00 0.00 H new ATOM 691 N GLY A 46 11.003 -18.222 -4.474 1.00 0.00 N ATOM 692 CA GLY A 46 11.284 -16.819 -4.298 1.00 0.00 C ATOM 693 C GLY A 46 10.249 -15.963 -4.981 1.00 0.00 C ATOM 694 O GLY A 46 10.494 -14.817 -5.319 1.00 0.00 O ATOM 0 H GLY A 46 11.377 -18.608 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.311 -16.582 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.271 -16.590 -4.700 1.00 0.00 H new ATOM 698 N SER A 47 9.129 -16.568 -5.271 1.00 0.00 N ATOM 699 CA SER A 47 8.054 -15.844 -5.779 1.00 0.00 C ATOM 700 C SER A 47 7.597 -14.799 -4.772 1.00 0.00 C ATOM 701 O SER A 47 7.271 -13.700 -5.145 1.00 0.00 O ATOM 702 CB SER A 47 7.026 -16.796 -6.209 1.00 0.00 C ATOM 703 OG SER A 47 7.430 -17.435 -7.385 1.00 0.00 O ATOM 0 H SER A 47 8.962 -17.567 -5.154 1.00 0.00 H new ATOM 0 HA SER A 47 8.330 -15.264 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.851 -17.534 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.082 -16.276 -6.373 1.00 0.00 H new ATOM 0 HG SER A 47 8.237 -17.000 -7.733 1.00 0.00 H new ATOM 709 N GLU A 48 7.373 -15.177 -3.538 1.00 0.00 N ATOM 710 CA GLU A 48 7.299 -14.267 -2.380 1.00 0.00 C ATOM 711 C GLU A 48 8.195 -12.982 -2.588 1.00 0.00 C ATOM 712 O GLU A 48 7.868 -11.917 -2.150 1.00 0.00 O ATOM 713 CB GLU A 48 7.968 -15.086 -1.293 1.00 0.00 C ATOM 714 CG GLU A 48 8.026 -14.500 0.085 1.00 0.00 C ATOM 715 CD GLU A 48 9.255 -15.019 0.821 1.00 0.00 C ATOM 716 OE1 GLU A 48 9.437 -16.253 0.886 1.00 0.00 O ATOM 717 OE2 GLU A 48 10.073 -14.229 1.321 1.00 0.00 O ATOM 0 H GLU A 48 7.230 -16.155 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 48 6.279 -13.935 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.451 -16.044 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.989 -15.296 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.060 -13.412 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.124 -14.761 0.638 1.00 0.00 H new ATOM 724 N GLN A 49 9.399 -13.190 -3.081 1.00 0.00 N ATOM 725 CA GLN A 49 10.243 -12.032 -3.465 1.00 0.00 C ATOM 726 C GLN A 49 9.559 -11.117 -4.527 1.00 0.00 C ATOM 727 O GLN A 49 9.368 -9.916 -4.308 1.00 0.00 O ATOM 728 CB GLN A 49 11.632 -12.540 -3.895 1.00 0.00 C ATOM 729 CG GLN A 49 12.570 -11.571 -4.606 1.00 0.00 C ATOM 730 CD GLN A 49 12.295 -11.384 -6.097 1.00 0.00 C ATOM 731 OE1 GLN A 49 12.517 -10.305 -6.654 1.00 0.00 O ATOM 732 NE2 GLN A 49 11.878 -12.437 -6.765 1.00 0.00 N ATOM 0 H GLN A 49 9.821 -14.107 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 49 10.374 -11.384 -2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.143 -12.903 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.483 -13.399 -4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.505 -10.600 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.594 -11.923 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.703 -13.315 -6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.729 -12.376 -7.772 1.00 0.00 H new ATOM 741 N LEU A 50 9.216 -11.716 -5.669 1.00 0.00 N ATOM 742 CA LEU A 50 8.564 -11.153 -6.850 1.00 0.00 C ATOM 743 C LEU A 50 7.433 -10.256 -6.447 1.00 0.00 C ATOM 744 O LEU A 50 7.220 -9.190 -7.015 1.00 0.00 O ATOM 745 CB LEU A 50 7.936 -12.337 -7.508 1.00 0.00 C ATOM 746 CG LEU A 50 7.118 -12.135 -8.751 1.00 0.00 C ATOM 747 CD1 LEU A 50 7.988 -12.094 -9.992 1.00 0.00 C ATOM 748 CD2 LEU A 50 6.030 -13.197 -8.790 1.00 0.00 C ATOM 0 H LEU A 50 9.408 -12.709 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 50 9.269 -10.593 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.734 -13.039 -7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.297 -12.822 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 50 6.630 -11.160 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.361 -11.947 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.699 -11.272 -9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.531 -13.034 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.425 -13.066 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.487 -14.186 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.396 -13.101 -7.908 1.00 0.00 H new ATOM 760 N LEU A 51 6.741 -10.747 -5.439 1.00 0.00 N ATOM 761 CA LEU A 51 5.581 -10.198 -4.786 1.00 0.00 C ATOM 762 C LEU A 51 5.566 -8.705 -4.750 1.00 0.00 C ATOM 763 O LEU A 51 4.573 -8.103 -5.080 1.00 0.00 O ATOM 764 CB LEU A 51 5.666 -10.732 -3.386 1.00 0.00 C ATOM 765 CG LEU A 51 4.721 -10.327 -2.262 1.00 0.00 C ATOM 766 CD1 LEU A 51 5.076 -11.240 -1.141 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.965 -8.917 -1.782 1.00 0.00 C ATOM 0 H LEU A 51 7.011 -11.635 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 51 4.674 -10.477 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.594 -11.816 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.672 -10.506 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 51 3.686 -10.383 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.444 -11.022 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.923 -12.274 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.121 -11.093 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.265 -8.679 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.986 -8.831 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.821 -8.221 -2.609 1.00 0.00 H new ATOM 779 N TYR A 52 6.692 -8.132 -4.454 1.00 0.00 N ATOM 780 CA TYR A 52 6.839 -6.741 -4.158 1.00 0.00 C ATOM 781 C TYR A 52 6.713 -5.929 -5.400 1.00 0.00 C ATOM 782 O TYR A 52 5.892 -5.045 -5.492 1.00 0.00 O ATOM 783 CB TYR A 52 8.232 -6.605 -3.652 1.00 0.00 C ATOM 784 CG TYR A 52 8.570 -5.258 -3.060 1.00 0.00 C ATOM 785 CD1 TYR A 52 7.866 -4.768 -1.967 1.00 0.00 C ATOM 786 CD2 TYR A 52 9.594 -4.484 -3.582 1.00 0.00 C ATOM 787 CE1 TYR A 52 8.172 -3.541 -1.414 1.00 0.00 C ATOM 788 CE2 TYR A 52 9.907 -3.256 -3.034 1.00 0.00 C ATOM 789 CZ TYR A 52 9.192 -2.787 -1.951 1.00 0.00 C ATOM 790 OH TYR A 52 9.500 -1.561 -1.405 1.00 0.00 O ATOM 0 H TYR A 52 7.573 -8.645 -4.410 1.00 0.00 H new ATOM 0 HA TYR A 52 6.083 -6.401 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.403 -7.370 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.921 -6.807 -4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.066 -5.357 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.156 -4.847 -4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.615 -3.174 -0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.709 -2.665 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 52 10.244 -1.160 -1.901 1.00 0.00 H new ATOM 800 N LEU A 53 7.451 -6.386 -6.378 1.00 0.00 N ATOM 801 CA LEU A 53 7.534 -5.598 -7.596 1.00 0.00 C ATOM 802 C LEU A 53 6.195 -5.557 -8.265 1.00 0.00 C ATOM 803 O LEU A 53 5.783 -4.538 -8.794 1.00 0.00 O ATOM 804 CB LEU A 53 8.715 -6.046 -8.494 1.00 0.00 C ATOM 805 CG LEU A 53 8.680 -7.475 -9.076 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.819 -7.574 -10.328 1.00 0.00 C ATOM 807 CD2 LEU A 53 10.082 -7.991 -9.335 1.00 0.00 C ATOM 0 H LEU A 53 7.983 -7.256 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 53 7.778 -4.563 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.785 -5.347 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.633 -5.943 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 53 8.213 -8.111 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.829 -8.600 -10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.796 -7.284 -10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.215 -6.909 -11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.029 -9.000 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.585 -7.336 -10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.642 -8.008 -8.400 1.00 0.00 H new ATOM 819 N LYS A 54 5.501 -6.643 -8.176 1.00 0.00 N ATOM 820 CA LYS A 54 4.176 -6.694 -8.712 1.00 0.00 C ATOM 821 C LYS A 54 3.106 -6.122 -7.833 1.00 0.00 C ATOM 822 O LYS A 54 2.261 -5.470 -8.325 1.00 0.00 O ATOM 823 CB LYS A 54 3.773 -8.059 -9.142 1.00 0.00 C ATOM 824 CG LYS A 54 4.624 -9.111 -8.490 1.00 0.00 C ATOM 825 CD LYS A 54 4.046 -10.450 -8.633 1.00 0.00 C ATOM 826 CE LYS A 54 2.932 -10.631 -7.671 1.00 0.00 C ATOM 827 NZ LYS A 54 2.190 -11.900 -7.893 1.00 0.00 N ATOM 0 H LYS A 54 5.825 -7.506 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 54 4.252 -6.045 -9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.726 -8.228 -8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.857 -8.141 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.620 -9.097 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.742 -8.878 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.684 -10.591 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.812 -11.206 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.327 -10.618 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.243 -9.791 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.207 -11.788 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.200 -12.135 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.644 -12.666 -7.356 1.00 0.00 H new ATOM 841 N GLU A 55 3.177 -6.353 -6.554 1.00 0.00 N ATOM 842 CA GLU A 55 2.035 -5.869 -5.769 1.00 0.00 C ATOM 843 C GLU A 55 2.048 -4.356 -5.756 1.00 0.00 C ATOM 844 O GLU A 55 1.043 -3.701 -5.979 1.00 0.00 O ATOM 845 CB GLU A 55 1.941 -6.492 -4.356 1.00 0.00 C ATOM 846 CG GLU A 55 2.813 -5.880 -3.269 1.00 0.00 C ATOM 847 CD GLU A 55 2.046 -4.888 -2.398 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.842 -3.738 -2.833 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.624 -5.274 -1.292 1.00 0.00 O ATOM 0 H GLU A 55 3.928 -6.826 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 55 1.120 -6.206 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.903 -6.434 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.192 -7.550 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.217 -6.674 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.662 -5.375 -3.729 1.00 0.00 H new ATOM 856 N ILE A 56 3.216 -3.836 -5.576 1.00 0.00 N ATOM 857 CA ILE A 56 3.326 -2.389 -5.489 1.00 0.00 C ATOM 858 C ILE A 56 3.182 -1.721 -6.860 1.00 0.00 C ATOM 859 O ILE A 56 3.002 -0.510 -6.936 1.00 0.00 O ATOM 860 CB ILE A 56 4.610 -1.891 -4.800 1.00 0.00 C ATOM 861 CG1 ILE A 56 5.812 -2.174 -5.693 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.777 -2.528 -3.423 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.143 -1.919 -5.040 1.00 0.00 C ATOM 0 H ILE A 56 4.089 -4.355 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 56 2.492 -2.093 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 56 4.535 -0.814 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.773 -3.214 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.737 -1.559 -6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.692 -2.158 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.923 -2.270 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.836 -3.611 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.943 -2.146 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.207 -0.873 -4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.244 -2.554 -4.160 1.00 0.00 H new ATOM 875 N SER A 57 3.309 -2.475 -7.940 1.00 0.00 N ATOM 876 CA SER A 57 3.049 -1.886 -9.253 1.00 0.00 C ATOM 877 C SER A 57 1.600 -2.152 -9.644 1.00 0.00 C ATOM 878 O SER A 57 0.925 -1.322 -10.256 1.00 0.00 O ATOM 879 CB SER A 57 4.020 -2.426 -10.315 1.00 0.00 C ATOM 880 OG SER A 57 3.914 -3.833 -10.460 1.00 0.00 O ATOM 0 H SER A 57 3.579 -3.458 -7.943 1.00 0.00 H new ATOM 0 HA SER A 57 3.213 -0.810 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.816 -1.946 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.042 -2.165 -10.039 1.00 0.00 H new ATOM 0 HG SER A 57 4.765 -4.252 -10.213 1.00 0.00 H new ATOM 886 N HIS A 58 1.164 -3.332 -9.293 1.00 0.00 N ATOM 887 CA HIS A 58 -0.174 -3.775 -9.523 1.00 0.00 C ATOM 888 C HIS A 58 -1.151 -3.167 -8.544 1.00 0.00 C ATOM 889 O HIS A 58 -1.816 -2.187 -8.888 1.00 0.00 O ATOM 890 CB HIS A 58 -0.258 -5.319 -9.644 1.00 0.00 C ATOM 891 CG HIS A 58 -1.572 -5.985 -9.322 1.00 0.00 C ATOM 892 ND1 HIS A 58 -1.777 -6.495 -8.071 1.00 0.00 N ATOM 893 CD2 HIS A 58 -2.654 -6.252 -10.094 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.948 -7.062 -8.085 1.00 0.00 C ATOM 895 NE2 HIS A 58 -3.534 -6.949 -9.290 1.00 0.00 N ATOM 0 H HIS A 58 1.749 -4.026 -8.827 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.488 -3.398 -10.496 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.011 -5.589 -10.665 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.502 -5.747 -8.990 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.798 -5.976 -11.128 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.393 -7.560 -7.236 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.450 -7.308 -9.558 1.00 0.00 H new ATOM 903 N ALA A 59 -1.253 -3.652 -7.321 1.00 0.00 N ATOM 904 CA ALA A 59 -2.247 -3.369 -6.326 1.00 0.00 C ATOM 905 C ALA A 59 -2.024 -2.022 -5.714 1.00 0.00 C ATOM 906 O ALA A 59 -2.884 -1.129 -5.814 1.00 0.00 O ATOM 907 CB ALA A 59 -2.119 -4.417 -5.228 1.00 0.00 C ATOM 0 H ALA A 59 -0.567 -4.322 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.233 -3.385 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.864 -4.227 -4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.280 -5.409 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.122 -4.366 -4.791 1.00 0.00 H new ATOM 913 N LEU A 60 -0.861 -1.868 -5.091 1.00 0.00 N ATOM 914 CA LEU A 60 -0.559 -0.669 -4.374 1.00 0.00 C ATOM 915 C LEU A 60 -0.549 0.509 -5.286 1.00 0.00 C ATOM 916 O LEU A 60 -1.197 1.475 -5.003 1.00 0.00 O ATOM 917 CB LEU A 60 0.736 -0.794 -3.619 1.00 0.00 C ATOM 918 CG LEU A 60 0.697 -0.225 -2.216 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.249 -1.060 -1.342 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.096 -0.172 -1.647 1.00 0.00 C ATOM 0 H LEU A 60 -0.121 -2.569 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.348 -0.511 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.011 -1.847 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.521 -0.289 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 60 0.311 0.794 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.273 -0.646 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.252 -1.038 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.106 -2.090 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.063 0.238 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.515 -1.178 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.721 0.462 -2.276 1.00 0.00 H new ATOM 932 N LYS A 61 0.086 0.390 -6.426 1.00 0.00 N ATOM 933 CA LYS A 61 0.137 1.508 -7.353 1.00 0.00 C ATOM 934 C LYS A 61 -1.258 1.851 -7.890 1.00 0.00 C ATOM 935 O LYS A 61 -1.499 2.986 -8.296 1.00 0.00 O ATOM 936 CB LYS A 61 1.100 1.232 -8.496 1.00 0.00 C ATOM 937 CG LYS A 61 1.317 2.396 -9.470 1.00 0.00 C ATOM 938 CD LYS A 61 2.576 3.211 -9.170 1.00 0.00 C ATOM 939 CE LYS A 61 2.583 3.861 -7.794 1.00 0.00 C ATOM 940 NZ LYS A 61 3.852 4.590 -7.551 1.00 0.00 N ATOM 0 H LYS A 61 0.569 -0.453 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 61 0.507 2.372 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.065 0.948 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.733 0.374 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.380 2.004 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.450 3.055 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.446 2.560 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.682 3.988 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.743 4.550 -7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.447 3.098 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.663 5.432 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.519 3.968 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.265 4.881 -8.460 1.00 0.00 H new ATOM 954 N SER A 62 -2.192 0.912 -7.840 1.00 0.00 N ATOM 955 CA SER A 62 -3.519 1.192 -8.320 1.00 0.00 C ATOM 956 C SER A 62 -4.290 1.998 -7.266 1.00 0.00 C ATOM 957 O SER A 62 -4.740 3.133 -7.507 1.00 0.00 O ATOM 958 CB SER A 62 -4.270 -0.096 -8.646 1.00 0.00 C ATOM 959 OG SER A 62 -5.462 0.178 -9.370 1.00 0.00 O ATOM 0 H SER A 62 -2.051 -0.031 -7.477 1.00 0.00 H new ATOM 0 HA SER A 62 -3.437 1.775 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.629 -0.757 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.514 -0.622 -7.723 1.00 0.00 H new ATOM 0 HG SER A 62 -5.925 -0.663 -9.569 1.00 0.00 H new ATOM 965 N SER A 63 -4.351 1.440 -6.066 1.00 0.00 N ATOM 966 CA SER A 63 -5.104 1.983 -4.981 1.00 0.00 C ATOM 967 C SER A 63 -4.412 3.228 -4.469 1.00 0.00 C ATOM 968 O SER A 63 -5.053 4.156 -4.088 1.00 0.00 O ATOM 969 CB SER A 63 -5.220 0.922 -3.870 1.00 0.00 C ATOM 970 OG SER A 63 -6.109 1.316 -2.841 1.00 0.00 O ATOM 0 H SER A 63 -3.861 0.577 -5.830 1.00 0.00 H new ATOM 0 HA SER A 63 -6.107 2.255 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.563 -0.018 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.234 0.736 -3.444 1.00 0.00 H new ATOM 0 HG SER A 63 -6.153 0.613 -2.160 1.00 0.00 H new ATOM 976 N ALA A 64 -3.094 3.221 -4.469 1.00 0.00 N ATOM 977 CA ALA A 64 -2.360 4.385 -3.968 1.00 0.00 C ATOM 978 C ALA A 64 -2.655 5.585 -4.842 1.00 0.00 C ATOM 979 O ALA A 64 -3.019 6.615 -4.373 1.00 0.00 O ATOM 980 CB ALA A 64 -0.863 4.145 -3.937 1.00 0.00 C ATOM 0 H ALA A 64 -2.514 2.449 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.691 4.567 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.360 5.035 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.644 3.299 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.508 3.928 -4.945 1.00 0.00 H new ATOM 986 N ALA A 65 -2.622 5.387 -6.126 1.00 0.00 N ATOM 987 CA ALA A 65 -2.792 6.446 -7.113 1.00 0.00 C ATOM 988 C ALA A 65 -4.197 7.032 -7.006 1.00 0.00 C ATOM 989 O ALA A 65 -4.452 8.156 -7.425 1.00 0.00 O ATOM 990 CB ALA A 65 -2.587 5.864 -8.504 1.00 0.00 C ATOM 0 H ALA A 65 -2.473 4.467 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.063 7.236 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.712 6.650 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.582 5.449 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.319 5.076 -8.680 1.00 0.00 H new ATOM 996 N SER A 66 -5.096 6.257 -6.435 1.00 0.00 N ATOM 997 CA SER A 66 -6.459 6.668 -6.273 1.00 0.00 C ATOM 998 C SER A 66 -6.784 7.096 -4.821 1.00 0.00 C ATOM 999 O SER A 66 -7.444 8.098 -4.616 1.00 0.00 O ATOM 1000 CB SER A 66 -7.367 5.523 -6.720 1.00 0.00 C ATOM 1001 OG SER A 66 -7.014 5.082 -8.025 1.00 0.00 O ATOM 0 H SER A 66 -4.893 5.325 -6.073 1.00 0.00 H new ATOM 0 HA SER A 66 -6.630 7.550 -6.891 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.288 4.694 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.406 5.851 -6.710 1.00 0.00 H new ATOM 0 HG SER A 66 -6.265 4.453 -7.966 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.310 6.345 -3.813 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.743 6.598 -2.409 1.00 0.00 C ATOM 1009 C PHE A 67 -5.538 6.673 -1.409 1.00 0.00 C ATOM 1010 O PHE A 67 -5.646 6.415 -0.229 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.710 5.481 -1.966 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.694 4.993 -2.997 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -9.810 5.739 -3.318 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -8.499 3.776 -3.638 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -10.717 5.288 -4.255 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -9.404 3.316 -4.575 1.00 0.00 C ATOM 1017 CZ PHE A 67 -10.515 4.076 -4.886 1.00 0.00 C ATOM 0 H PHE A 67 -5.647 5.578 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.239 7.569 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.117 4.630 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.271 5.838 -1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.975 6.688 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.629 3.182 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.586 5.883 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.244 2.366 -5.063 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.224 3.723 -5.621 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.445 7.113 -1.917 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.190 7.252 -1.147 1.00 0.00 C ATOM 1029 C GLY A 68 -2.190 7.899 -2.035 1.00 0.00 C ATOM 1030 O GLY A 68 -0.986 7.622 -2.006 1.00 0.00 O ATOM 0 H GLY A 68 -4.360 7.400 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.354 7.853 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.834 6.277 -0.815 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.754 8.827 -2.781 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.072 9.579 -3.830 1.00 0.00 C ATOM 1036 C ALA A 69 -1.094 10.596 -3.245 1.00 0.00 C ATOM 1037 O ALA A 69 -0.734 11.589 -3.886 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.118 10.285 -4.681 1.00 0.00 C ATOM 0 H ALA A 69 -3.733 9.092 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.493 8.887 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.623 10.852 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.783 9.546 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.698 10.964 -4.056 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.658 10.324 -2.036 1.00 0.00 N ATOM 1045 CA ASP A 70 0.225 11.173 -1.318 1.00 0.00 C ATOM 1046 C ASP A 70 1.481 10.333 -1.121 1.00 0.00 C ATOM 1047 O ASP A 70 1.986 9.721 -2.076 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.358 11.619 0.035 1.00 0.00 C ATOM 1049 CG ASP A 70 -1.490 12.591 -0.057 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -1.229 13.801 -0.026 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -2.653 12.176 -0.071 1.00 0.00 O ATOM 0 H ASP A 70 -0.922 9.482 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 70 0.415 12.100 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.699 10.736 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.439 12.067 0.628 1.00 0.00 H new ATOM 1056 N ARG A 71 1.957 10.174 0.094 1.00 0.00 N ATOM 1057 CA ARG A 71 3.151 9.572 0.556 1.00 0.00 C ATOM 1058 C ARG A 71 3.259 8.079 0.368 1.00 0.00 C ATOM 1059 O ARG A 71 4.249 7.631 -0.103 1.00 0.00 O ATOM 1060 CB ARG A 71 3.267 9.891 2.032 1.00 0.00 C ATOM 1061 CG ARG A 71 3.604 11.341 2.367 1.00 0.00 C ATOM 1062 CD ARG A 71 2.474 12.343 2.092 1.00 0.00 C ATOM 1063 NE ARG A 71 2.821 13.715 2.488 1.00 0.00 N ATOM 1064 CZ ARG A 71 2.156 14.846 2.140 1.00 0.00 C ATOM 1065 NH1 ARG A 71 1.120 14.817 1.295 1.00 0.00 N ATOM 1066 NH2 ARG A 71 2.555 16.016 2.635 1.00 0.00 N ATOM 0 H ARG A 71 1.418 10.524 0.886 1.00 0.00 H new ATOM 0 HA ARG A 71 3.958 9.982 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.325 9.634 2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.034 9.249 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.877 11.402 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.482 11.638 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.231 12.327 1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.578 12.030 2.629 1.00 0.00 H new ATOM 0 HE ARG A 71 3.642 13.829 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.812 13.930 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.637 15.682 1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.353 16.056 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.063 16.872 2.380 1.00 0.00 H new ATOM 1080 N LEU A 72 2.274 7.291 0.733 1.00 0.00 N ATOM 1081 CA LEU A 72 2.461 5.826 0.611 1.00 0.00 C ATOM 1082 C LEU A 72 2.732 5.468 -0.858 1.00 0.00 C ATOM 1083 O LEU A 72 3.408 4.514 -1.180 1.00 0.00 O ATOM 1084 CB LEU A 72 1.268 5.051 1.226 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.096 5.110 0.525 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.188 4.085 -0.586 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.218 4.912 1.525 1.00 0.00 C ATOM 0 H LEU A 72 1.373 7.597 1.100 1.00 0.00 H new ATOM 0 HA LEU A 72 3.332 5.517 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.557 4.002 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.131 5.412 2.245 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.199 6.099 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.166 4.152 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.590 4.278 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.054 3.086 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.177 4.957 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.110 3.940 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.175 5.697 2.280 1.00 0.00 H new ATOM 1099 N CYS A 73 2.265 6.364 -1.692 1.00 0.00 N ATOM 1100 CA CYS A 73 2.436 6.108 -3.105 1.00 0.00 C ATOM 1101 C CYS A 73 3.931 6.177 -3.499 1.00 0.00 C ATOM 1102 O CYS A 73 4.545 5.158 -3.830 1.00 0.00 O ATOM 1103 CB CYS A 73 1.528 6.979 -3.976 1.00 0.00 C ATOM 1104 SG CYS A 73 1.610 6.629 -5.751 1.00 0.00 S ATOM 0 H CYS A 73 1.789 7.231 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 73 2.108 5.088 -3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.498 6.852 -3.643 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.788 8.025 -3.814 1.00 0.00 H new ATOM 0 HG CYS A 73 0.801 7.422 -6.388 1.00 0.00 H new ATOM 1110 N GLU A 74 4.572 7.306 -3.291 1.00 0.00 N ATOM 1111 CA GLU A 74 5.962 7.387 -3.765 1.00 0.00 C ATOM 1112 C GLU A 74 6.918 7.419 -2.605 1.00 0.00 C ATOM 1113 O GLU A 74 8.054 6.931 -2.668 1.00 0.00 O ATOM 1114 CB GLU A 74 6.231 8.560 -4.700 1.00 0.00 C ATOM 1115 CG GLU A 74 7.671 8.557 -5.192 1.00 0.00 C ATOM 1116 CD GLU A 74 8.062 9.762 -5.990 1.00 0.00 C ATOM 1117 OE1 GLU A 74 8.545 10.742 -5.392 1.00 0.00 O ATOM 1118 OE2 GLU A 74 7.946 9.732 -7.228 1.00 0.00 O ATOM 0 H GLU A 74 4.198 8.136 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 74 6.125 6.484 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.553 8.511 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.024 9.496 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.335 8.477 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.831 7.667 -5.801 1.00 0.00 H new ATOM 1125 N ARG A 75 6.425 7.911 -1.517 1.00 0.00 N ATOM 1126 CA ARG A 75 7.232 8.050 -0.354 1.00 0.00 C ATOM 1127 C ARG A 75 7.379 6.651 0.239 1.00 0.00 C ATOM 1128 O ARG A 75 8.291 6.389 0.951 1.00 0.00 O ATOM 1129 CB ARG A 75 6.586 9.087 0.607 1.00 0.00 C ATOM 1130 CG ARG A 75 7.076 9.143 2.053 1.00 0.00 C ATOM 1131 CD ARG A 75 6.566 7.959 2.873 1.00 0.00 C ATOM 1132 NE ARG A 75 7.262 7.770 4.151 1.00 0.00 N ATOM 1133 CZ ARG A 75 7.839 6.608 4.507 1.00 0.00 C ATOM 1134 NH1 ARG A 75 8.047 5.676 3.585 1.00 0.00 N ATOM 1135 NH2 ARG A 75 8.269 6.419 5.747 1.00 0.00 N ATOM 0 H ARG A 75 5.460 8.225 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 75 8.228 8.440 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.726 10.076 0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.513 8.897 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.166 9.152 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.744 10.074 2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.503 8.097 3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.666 7.050 2.280 1.00 0.00 H new ATOM 0 HE ARG A 75 7.311 8.556 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.770 5.845 2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.484 4.791 3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.164 7.159 6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.705 5.534 6.006 1.00 0.00 H new ATOM 1149 N ALA A 76 6.488 5.728 -0.041 1.00 0.00 N ATOM 1150 CA ALA A 76 6.775 4.411 0.453 1.00 0.00 C ATOM 1151 C ALA A 76 7.733 3.802 -0.532 1.00 0.00 C ATOM 1152 O ALA A 76 8.871 3.590 -0.221 1.00 0.00 O ATOM 1153 CB ALA A 76 5.528 3.570 0.620 1.00 0.00 C ATOM 0 H ALA A 76 5.623 5.850 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 76 7.209 4.460 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.802 2.584 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.855 4.054 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.028 3.465 -0.343 1.00 0.00 H new ATOM 1159 N ILE A 77 7.262 3.788 -1.757 1.00 0.00 N ATOM 1160 CA ILE A 77 8.036 3.077 -2.799 1.00 0.00 C ATOM 1161 C ILE A 77 9.578 3.305 -2.803 1.00 0.00 C ATOM 1162 O ILE A 77 10.388 2.341 -2.669 1.00 0.00 O ATOM 1163 CB ILE A 77 7.387 3.222 -4.190 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.983 2.582 -4.176 1.00 0.00 C ATOM 1165 CG2 ILE A 77 8.246 2.643 -5.309 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.775 1.576 -3.058 1.00 0.00 C ATOM 0 H ILE A 77 6.396 4.229 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 77 7.970 2.029 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 77 7.298 4.287 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.236 3.371 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.810 2.088 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.737 2.775 -6.264 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.206 3.159 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.410 1.581 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.765 1.171 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.497 0.766 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.914 2.068 -2.095 1.00 0.00 H new ATOM 1178 N ALA A 78 9.978 4.538 -2.633 1.00 0.00 N ATOM 1179 CA ALA A 78 11.341 4.933 -2.825 1.00 0.00 C ATOM 1180 C ALA A 78 12.008 5.095 -1.471 1.00 0.00 C ATOM 1181 O ALA A 78 13.189 4.801 -1.306 1.00 0.00 O ATOM 1182 CB ALA A 78 11.411 6.224 -3.624 1.00 0.00 C ATOM 0 H ALA A 78 9.359 5.299 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 78 11.868 4.164 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.454 6.511 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.944 6.075 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.885 7.013 -3.087 1.00 0.00 H new ATOM 1188 N ILE A 79 11.195 5.469 -0.486 1.00 0.00 N ATOM 1189 CA ILE A 79 11.662 5.871 0.830 1.00 0.00 C ATOM 1190 C ILE A 79 11.559 4.716 1.813 1.00 0.00 C ATOM 1191 O ILE A 79 12.195 4.707 2.910 1.00 0.00 O ATOM 1192 CB ILE A 79 10.852 7.073 1.270 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.883 8.107 0.141 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.314 7.664 2.602 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.235 8.751 -0.107 1.00 0.00 C ATOM 0 H ILE A 79 10.180 5.500 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 79 12.716 6.148 0.794 1.00 0.00 H new ATOM 0 HB ILE A 79 9.827 6.752 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.553 7.626 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.161 8.891 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.690 8.521 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.229 6.909 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.353 7.984 2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.152 9.467 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.563 9.267 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.961 7.982 -0.370 1.00 0.00 H new ATOM 1207 N ASP A 80 11.158 3.602 1.259 1.00 0.00 N ATOM 1208 CA ASP A 80 11.079 2.392 1.937 1.00 0.00 C ATOM 1209 C ASP A 80 12.240 1.684 1.656 1.00 0.00 C ATOM 1210 O ASP A 80 13.071 1.643 2.561 1.00 0.00 O ATOM 1211 CB ASP A 80 9.808 1.576 1.657 1.00 0.00 C ATOM 1212 CG ASP A 80 8.603 2.061 2.460 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.570 3.242 2.881 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.707 1.250 2.738 1.00 0.00 O ATOM 0 H ASP A 80 10.872 3.540 0.282 1.00 0.00 H new ATOM 0 HA ASP A 80 10.999 2.600 3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.575 1.629 0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.996 0.528 1.890 1.00 0.00 H new ATOM 1219 N LYS A 81 12.391 1.282 0.361 1.00 0.00 N ATOM 1220 CA LYS A 81 13.535 0.484 -0.009 1.00 0.00 C ATOM 1221 C LYS A 81 14.781 1.043 0.676 1.00 0.00 C ATOM 1222 O LYS A 81 15.351 0.354 1.539 1.00 0.00 O ATOM 1223 CB LYS A 81 13.676 0.309 -1.542 1.00 0.00 C ATOM 1224 CG LYS A 81 13.811 1.582 -2.363 1.00 0.00 C ATOM 1225 CD LYS A 81 13.845 1.286 -3.844 1.00 0.00 C ATOM 1226 CE LYS A 81 14.140 2.547 -4.628 1.00 0.00 C ATOM 1227 NZ LYS A 81 14.301 2.271 -6.072 1.00 0.00 N ATOM 0 H LYS A 81 11.747 1.501 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 81 13.391 -0.535 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.549 -0.315 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.806 -0.239 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.976 2.248 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.722 2.107 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.605 0.534 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.889 0.869 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.331 3.263 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.048 3.010 -4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.502 3.159 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.089 1.607 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.425 1.852 -6.445 1.00 0.00 H new ATOM 1241 N LYS A 82 15.122 2.316 0.360 1.00 0.00 N ATOM 1242 CA LYS A 82 16.234 3.023 0.995 1.00 0.00 C ATOM 1243 C LYS A 82 16.510 2.735 2.455 1.00 0.00 C ATOM 1244 O LYS A 82 17.440 1.956 2.767 1.00 0.00 O ATOM 1245 CB LYS A 82 16.365 4.507 0.581 1.00 0.00 C ATOM 1246 CG LYS A 82 15.185 5.431 0.865 1.00 0.00 C ATOM 1247 CD LYS A 82 15.078 5.909 2.306 1.00 0.00 C ATOM 1248 CE LYS A 82 16.310 6.674 2.777 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.630 7.837 1.927 1.00 0.00 N ATOM 0 H LYS A 82 14.629 2.870 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 82 17.090 2.526 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.241 4.919 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.566 4.540 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.259 6.302 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.264 4.912 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.201 6.548 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.921 5.049 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.150 7.013 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.165 5.998 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.434 8.355 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.878 7.511 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.804 8.467 1.875 1.00 0.00 H new ATOM 1263 N ALA A 83 15.666 3.032 3.387 1.00 0.00 N ATOM 1264 CA ALA A 83 16.153 2.938 4.727 1.00 0.00 C ATOM 1265 C ALA A 83 15.132 2.351 5.528 1.00 0.00 C ATOM 1266 O ALA A 83 15.413 1.667 6.440 1.00 0.00 O ATOM 1267 CB ALA A 83 16.570 4.289 5.287 1.00 0.00 C ATOM 0 H ALA A 83 14.696 3.324 3.264 1.00 0.00 H new ATOM 0 HA ALA A 83 17.049 2.318 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.933 4.164 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.363 4.710 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.713 4.963 5.287 1.00 0.00 H new ATOM 1273 N LYS A 84 13.940 2.701 5.222 1.00 0.00 N ATOM 1274 CA LYS A 84 12.878 2.060 5.884 1.00 0.00 C ATOM 1275 C LYS A 84 12.962 0.515 5.695 1.00 0.00 C ATOM 1276 O LYS A 84 12.744 -0.233 6.652 1.00 0.00 O ATOM 1277 CB LYS A 84 11.586 2.732 5.452 1.00 0.00 C ATOM 1278 CG LYS A 84 10.462 1.841 5.055 1.00 0.00 C ATOM 1279 CD LYS A 84 9.909 1.055 6.218 1.00 0.00 C ATOM 1280 CE LYS A 84 8.558 0.481 5.920 1.00 0.00 C ATOM 1281 NZ LYS A 84 8.508 -0.318 4.684 1.00 0.00 N ATOM 0 H LYS A 84 13.682 3.409 4.535 1.00 0.00 H new ATOM 0 HA LYS A 84 12.929 2.175 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.244 3.366 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.810 3.389 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.665 2.441 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.805 1.151 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.597 0.248 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.842 1.702 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.247 -0.143 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.837 1.295 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.969 0.198 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.475 -0.488 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.044 -1.228 4.878 1.00 0.00 H new ATOM 1295 N ALA A 85 13.329 0.014 4.519 1.00 0.00 N ATOM 1296 CA ALA A 85 13.459 -1.394 4.332 1.00 0.00 C ATOM 1297 C ALA A 85 14.787 -1.865 4.830 1.00 0.00 C ATOM 1298 O ALA A 85 14.880 -2.974 5.382 1.00 0.00 O ATOM 1299 CB ALA A 85 13.339 -1.736 2.862 1.00 0.00 C ATOM 0 H ALA A 85 13.537 0.576 3.694 1.00 0.00 H new ATOM 0 HA ALA A 85 12.665 -1.887 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.440 -2.813 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.366 -1.414 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.125 -1.227 2.305 1.00 0.00 H new ATOM 1305 N ASN A 86 15.832 -1.043 4.698 1.00 0.00 N ATOM 1306 CA ASN A 86 17.102 -1.477 5.236 1.00 0.00 C ATOM 1307 C ASN A 86 17.157 -1.352 6.765 1.00 0.00 C ATOM 1308 O ASN A 86 18.030 -1.934 7.408 1.00 0.00 O ATOM 1309 CB ASN A 86 18.179 -0.644 4.613 1.00 0.00 C ATOM 1310 CG ASN A 86 19.574 -1.239 4.722 1.00 0.00 C ATOM 1311 OD1 ASN A 86 20.556 -0.501 4.862 1.00 0.00 O ATOM 1312 ND2 ASN A 86 19.695 -2.544 4.538 1.00 0.00 N ATOM 0 H ASN A 86 15.821 -0.127 4.249 1.00 0.00 H new ATOM 0 HA ASN A 86 17.241 -2.533 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.942 -0.494 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.179 0.340 5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.621 -2.971 4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.862 -3.123 4.426 1.00 0.00 H new ATOM 1319 N GLN A 87 16.231 -0.597 7.342 1.00 0.00 N ATOM 1320 CA GLN A 87 16.184 -0.381 8.779 1.00 0.00 C ATOM 1321 C GLN A 87 15.631 -1.623 9.417 1.00 0.00 C ATOM 1322 O GLN A 87 16.023 -1.982 10.528 1.00 0.00 O ATOM 1323 CB GLN A 87 15.257 0.823 9.161 1.00 0.00 C ATOM 1324 CG GLN A 87 13.808 0.442 9.347 1.00 0.00 C ATOM 1325 CD GLN A 87 12.839 1.572 9.444 1.00 0.00 C ATOM 1326 OE1 GLN A 87 13.148 2.668 9.907 1.00 0.00 O ATOM 1327 NE2 GLN A 87 11.646 1.298 8.982 1.00 0.00 N ATOM 0 H GLN A 87 15.493 -0.118 6.826 1.00 0.00 H new ATOM 0 HA GLN A 87 17.192 -0.156 9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.625 1.275 10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.326 1.583 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.511 -0.194 8.513 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.725 -0.160 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.444 0.370 8.609 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.918 2.012 8.995 1.00 0.00 H new ATOM 1336 N LEU A 88 14.663 -2.257 8.753 1.00 0.00 N ATOM 1337 CA LEU A 88 13.972 -3.411 9.191 1.00 0.00 C ATOM 1338 C LEU A 88 14.927 -4.561 9.310 1.00 0.00 C ATOM 1339 O LEU A 88 15.447 -4.855 10.380 1.00 0.00 O ATOM 1340 CB LEU A 88 12.824 -3.751 8.193 1.00 0.00 C ATOM 1341 CG LEU A 88 11.657 -2.767 8.107 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.582 -3.311 7.181 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.077 -2.463 9.479 1.00 0.00 C ATOM 0 H LEU A 88 14.341 -1.936 7.840 1.00 0.00 H new ATOM 0 HA LEU A 88 13.534 -3.221 10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.259 -3.847 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.422 -4.728 8.461 1.00 0.00 H new ATOM 0 HG LEU A 88 12.037 -1.831 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.756 -2.602 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.000 -3.458 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.218 -4.264 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.250 -1.760 9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.715 -3.385 9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.849 -2.025 10.112 1.00 0.00 H new ATOM 1355 N GLN A 89 15.138 -5.205 8.215 1.00 0.00 N ATOM 1356 CA GLN A 89 15.901 -6.386 7.981 1.00 0.00 C ATOM 1357 C GLN A 89 17.354 -5.991 8.055 1.00 0.00 C ATOM 1358 O GLN A 89 17.784 -5.117 7.295 1.00 0.00 O ATOM 1359 CB GLN A 89 15.598 -6.745 6.527 1.00 0.00 C ATOM 1360 CG GLN A 89 14.133 -6.516 6.187 1.00 0.00 C ATOM 1361 CD GLN A 89 13.843 -6.448 4.729 1.00 0.00 C ATOM 1362 OE1 GLN A 89 13.571 -7.438 4.065 1.00 0.00 O ATOM 1363 NE2 GLN A 89 13.861 -5.250 4.221 1.00 0.00 N ATOM 0 H GLN A 89 14.723 -4.871 7.345 1.00 0.00 H new ATOM 0 HA GLN A 89 15.683 -7.195 8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.224 -6.145 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.855 -7.789 6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.541 -7.319 6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.805 -5.587 6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.093 -4.450 4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.643 -5.111 3.234 1.00 0.00 H new ATOM 1372 N GLU A 90 18.138 -6.664 8.867 1.00 0.00 N ATOM 1373 CA GLU A 90 19.531 -6.271 9.021 1.00 0.00 C ATOM 1374 C GLU A 90 20.348 -6.987 7.960 1.00 0.00 C ATOM 1375 O GLU A 90 21.554 -6.815 7.846 1.00 0.00 O ATOM 1376 CB GLU A 90 20.035 -6.646 10.407 1.00 0.00 C ATOM 1377 CG GLU A 90 19.913 -8.123 10.724 1.00 0.00 C ATOM 1378 CD GLU A 90 20.435 -8.452 12.091 1.00 0.00 C ATOM 1379 OE1 GLU A 90 19.684 -8.291 13.084 1.00 0.00 O ATOM 1380 OE2 GLU A 90 21.590 -8.884 12.203 1.00 0.00 O ATOM 0 H GLU A 90 17.849 -7.469 9.422 1.00 0.00 H new ATOM 0 HA GLU A 90 19.627 -5.191 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 90 21.080 -6.350 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 90 19.479 -6.077 11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.867 -8.423 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.461 -8.700 9.979 1.00 0.00 H new ATOM 1387 N GLN A 91 19.639 -7.778 7.178 1.00 0.00 N ATOM 1388 CA GLN A 91 20.249 -8.577 6.143 1.00 0.00 C ATOM 1389 C GLN A 91 20.167 -7.852 4.814 1.00 0.00 C ATOM 1390 O GLN A 91 20.471 -8.422 3.770 1.00 0.00 O ATOM 1391 CB GLN A 91 19.568 -9.934 6.048 1.00 0.00 C ATOM 1392 CG GLN A 91 19.355 -10.586 7.394 1.00 0.00 C ATOM 1393 CD GLN A 91 18.893 -12.015 7.292 1.00 0.00 C ATOM 1394 OE1 GLN A 91 19.708 -12.935 7.266 1.00 0.00 O ATOM 1395 NE2 GLN A 91 17.603 -12.213 7.223 1.00 0.00 N ATOM 0 H GLN A 91 18.627 -7.882 7.245 1.00 0.00 H new ATOM 0 HA GLN A 91 21.298 -8.736 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.605 -9.816 5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 91 20.170 -10.593 5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.286 -10.551 7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.619 -10.012 7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 91 16.963 -11.419 7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 91 17.236 -13.161 7.144 1.00 0.00 H new ATOM 1404 N GLY A 92 19.778 -6.582 4.855 1.00 0.00 N ATOM 1405 CA GLY A 92 19.743 -5.799 3.655 1.00 0.00 C ATOM 1406 C GLY A 92 18.551 -6.039 2.749 1.00 0.00 C ATOM 1407 O GLY A 92 18.742 -6.578 1.662 1.00 0.00 O ATOM 0 H GLY A 92 19.489 -6.091 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.761 -4.744 3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.653 -5.996 3.088 1.00 0.00 H new ATOM 1411 N MET A 93 17.319 -5.639 3.185 1.00 0.00 N ATOM 1412 CA MET A 93 16.097 -5.646 2.358 1.00 0.00 C ATOM 1413 C MET A 93 15.948 -6.827 1.442 1.00 0.00 C ATOM 1414 O MET A 93 16.195 -6.740 0.237 1.00 0.00 O ATOM 1415 CB MET A 93 15.663 -4.300 1.742 1.00 0.00 C ATOM 1416 CG MET A 93 16.665 -3.571 0.854 1.00 0.00 C ATOM 1417 SD MET A 93 18.045 -2.865 1.770 1.00 0.00 S ATOM 1418 CE MET A 93 18.896 -1.994 0.458 1.00 0.00 C ATOM 0 H MET A 93 17.157 -5.301 4.134 1.00 0.00 H new ATOM 0 HA MET A 93 15.335 -5.801 3.122 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.761 -4.475 1.156 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.389 -3.631 2.558 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.051 -4.265 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.151 -2.776 0.315 1.00 0.00 H new ATOM 0 HE1 MET A 93 19.779 -1.500 0.863 1.00 0.00 H new ATOM 0 HE2 MET A 93 19.198 -2.703 -0.313 1.00 0.00 H new ATOM 0 HE3 MET A 93 18.230 -1.248 0.025 1.00 0.00 H new ATOM 1428 N GLU A 94 15.518 -7.933 2.023 1.00 0.00 N ATOM 1429 CA GLU A 94 15.576 -9.172 1.317 1.00 0.00 C ATOM 1430 C GLU A 94 14.420 -10.140 1.629 1.00 0.00 C ATOM 1431 O GLU A 94 14.448 -11.278 1.172 1.00 0.00 O ATOM 1432 CB GLU A 94 16.989 -9.752 1.518 1.00 0.00 C ATOM 1433 CG GLU A 94 17.471 -9.870 2.966 1.00 0.00 C ATOM 1434 CD GLU A 94 16.764 -10.913 3.772 1.00 0.00 C ATOM 1435 OE1 GLU A 94 16.957 -12.122 3.484 1.00 0.00 O ATOM 1436 OE2 GLU A 94 16.047 -10.546 4.713 1.00 0.00 O ATOM 0 H GLU A 94 15.133 -7.986 2.966 1.00 0.00 H new ATOM 0 HA GLU A 94 15.414 -8.996 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.020 -10.743 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.696 -9.129 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.538 -10.092 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.348 -8.904 3.456 1.00 0.00 H new ATOM 1443 N THR A 95 13.363 -9.635 2.308 1.00 0.00 N ATOM 1444 CA THR A 95 12.163 -10.461 2.599 1.00 0.00 C ATOM 1445 C THR A 95 11.156 -9.823 3.578 1.00 0.00 C ATOM 1446 O THR A 95 9.994 -9.628 3.221 1.00 0.00 O ATOM 1447 CB THR A 95 12.457 -11.948 3.031 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.231 -12.684 3.241 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.305 -12.028 4.295 1.00 0.00 C ATOM 0 H THR A 95 13.314 -8.679 2.659 1.00 0.00 H new ATOM 0 HA THR A 95 11.692 -10.497 1.617 1.00 0.00 H new ATOM 0 HB THR A 95 13.018 -12.395 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.004 -13.181 2.427 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.479 -13.073 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.260 -11.532 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.782 -11.536 5.115 1.00 0.00 H new ATOM 1457 N SER A 96 11.598 -9.440 4.768 1.00 0.00 N ATOM 1458 CA SER A 96 10.684 -9.023 5.829 1.00 0.00 C ATOM 1459 C SER A 96 9.867 -7.807 5.431 1.00 0.00 C ATOM 1460 O SER A 96 8.704 -7.697 5.795 1.00 0.00 O ATOM 1461 CB SER A 96 11.485 -8.704 7.059 1.00 0.00 C ATOM 1462 OG SER A 96 12.572 -9.609 7.172 1.00 0.00 O ATOM 0 H SER A 96 12.584 -9.409 5.026 1.00 0.00 H new ATOM 0 HA SER A 96 9.988 -9.840 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.856 -7.680 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.852 -8.769 7.944 1.00 0.00 H new ATOM 0 HG SER A 96 13.093 -9.396 7.975 1.00 0.00 H new ATOM 1468 N GLU A 97 10.491 -6.935 4.658 1.00 0.00 N ATOM 1469 CA GLU A 97 9.887 -5.709 4.170 1.00 0.00 C ATOM 1470 C GLU A 97 8.717 -6.012 3.258 1.00 0.00 C ATOM 1471 O GLU A 97 7.623 -5.549 3.451 1.00 0.00 O ATOM 1472 CB GLU A 97 10.961 -4.960 3.388 1.00 0.00 C ATOM 1473 CG GLU A 97 10.508 -3.729 2.649 1.00 0.00 C ATOM 1474 CD GLU A 97 9.834 -2.740 3.556 1.00 0.00 C ATOM 1475 OE1 GLU A 97 10.527 -1.943 4.209 1.00 0.00 O ATOM 1476 OE2 GLU A 97 8.610 -2.738 3.636 1.00 0.00 O ATOM 0 H GLU A 97 11.453 -7.063 4.346 1.00 0.00 H new ATOM 0 HA GLU A 97 9.514 -5.115 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.751 -4.672 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.404 -5.648 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.367 -3.256 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.821 -4.017 1.853 1.00 0.00 H new ATOM 1483 N MET A 98 8.974 -6.835 2.295 1.00 0.00 N ATOM 1484 CA MET A 98 7.992 -7.153 1.276 1.00 0.00 C ATOM 1485 C MET A 98 6.759 -7.861 1.898 1.00 0.00 C ATOM 1486 O MET A 98 5.626 -7.546 1.573 1.00 0.00 O ATOM 1487 CB MET A 98 8.676 -7.918 0.124 1.00 0.00 C ATOM 1488 CG MET A 98 9.058 -9.350 0.404 1.00 0.00 C ATOM 1489 SD MET A 98 10.394 -9.900 -0.662 1.00 0.00 S ATOM 1490 CE MET A 98 10.503 -11.616 -0.185 1.00 0.00 C ATOM 0 H MET A 98 9.868 -7.313 2.180 1.00 0.00 H new ATOM 0 HA MET A 98 7.587 -6.243 0.833 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.009 -7.905 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.576 -7.374 -0.161 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.360 -9.449 1.447 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.190 -9.993 0.261 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.491 -12.002 -0.437 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.341 -11.706 0.889 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.743 -12.190 -0.715 1.00 0.00 H new ATOM 1500 N LEU A 99 7.008 -8.809 2.798 1.00 0.00 N ATOM 1501 CA LEU A 99 5.890 -9.422 3.562 1.00 0.00 C ATOM 1502 C LEU A 99 5.214 -8.377 4.485 1.00 0.00 C ATOM 1503 O LEU A 99 3.997 -8.445 4.789 1.00 0.00 O ATOM 1504 CB LEU A 99 6.372 -10.610 4.411 1.00 0.00 C ATOM 1505 CG LEU A 99 6.641 -11.948 3.701 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.692 -11.823 2.617 1.00 0.00 C ATOM 1507 CD2 LEU A 99 7.064 -12.994 4.717 1.00 0.00 C ATOM 0 H LEU A 99 7.936 -9.170 3.022 1.00 0.00 H new ATOM 0 HA LEU A 99 5.166 -9.784 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.291 -10.309 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.628 -10.788 5.187 1.00 0.00 H new ATOM 0 HG LEU A 99 5.713 -12.254 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.846 -12.794 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.358 -11.105 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.629 -11.480 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.253 -13.939 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.973 -12.665 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.270 -13.130 5.452 1.00 0.00 H new ATOM 1519 N ALA A 100 6.027 -7.428 4.931 1.00 0.00 N ATOM 1520 CA ALA A 100 5.555 -6.345 5.782 1.00 0.00 C ATOM 1521 C ALA A 100 4.477 -5.528 5.106 1.00 0.00 C ATOM 1522 O ALA A 100 3.591 -5.037 5.783 1.00 0.00 O ATOM 1523 CB ALA A 100 6.684 -5.443 6.274 1.00 0.00 C ATOM 0 H ALA A 100 7.023 -7.387 4.715 1.00 0.00 H new ATOM 0 HA ALA A 100 5.121 -6.824 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.272 -4.654 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.396 -6.033 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.192 -4.997 5.419 1.00 0.00 H new ATOM 1529 N LEU A 101 4.487 -5.469 3.770 1.00 0.00 N ATOM 1530 CA LEU A 101 3.506 -4.740 2.973 1.00 0.00 C ATOM 1531 C LEU A 101 2.113 -5.192 3.269 1.00 0.00 C ATOM 1532 O LEU A 101 1.213 -4.374 3.394 1.00 0.00 O ATOM 1533 CB LEU A 101 3.757 -4.882 1.483 1.00 0.00 C ATOM 1534 CG LEU A 101 4.742 -3.896 0.812 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.084 -2.544 0.613 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.999 -3.701 1.641 1.00 0.00 C ATOM 0 H LEU A 101 5.194 -5.938 3.205 1.00 0.00 H new ATOM 0 HA LEU A 101 3.617 -3.692 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.122 -5.893 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.798 -4.793 0.973 1.00 0.00 H new ATOM 0 HG LEU A 101 5.017 -4.329 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.790 -1.862 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.206 -2.657 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.782 -2.141 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.664 -3.002 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.731 -3.303 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.505 -4.658 1.765 1.00 0.00 H new ATOM 1548 N LEU A 102 1.934 -6.474 3.437 1.00 0.00 N ATOM 1549 CA LEU A 102 0.639 -6.994 3.729 1.00 0.00 C ATOM 1550 C LEU A 102 0.151 -6.516 5.083 1.00 0.00 C ATOM 1551 O LEU A 102 -0.954 -6.005 5.186 1.00 0.00 O ATOM 1552 CB LEU A 102 0.616 -8.500 3.677 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.679 -9.110 4.187 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.819 -8.924 3.188 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.497 -10.557 4.583 1.00 0.00 C ATOM 0 H LEU A 102 2.674 -7.173 3.375 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.034 -6.618 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.778 -8.822 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.447 -8.888 4.267 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.960 -8.570 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.729 -9.373 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.984 -7.860 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.559 -9.406 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.445 -10.958 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.164 -11.132 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.250 -10.627 5.374 1.00 0.00 H new ATOM 1567 N HIS A 103 0.961 -6.690 6.124 1.00 0.00 N ATOM 1568 CA HIS A 103 0.463 -6.240 7.435 1.00 0.00 C ATOM 1569 C HIS A 103 0.236 -4.710 7.481 1.00 0.00 C ATOM 1570 O HIS A 103 -0.653 -4.221 8.180 1.00 0.00 O ATOM 1571 CB HIS A 103 1.256 -6.772 8.655 1.00 0.00 C ATOM 1572 CG HIS A 103 2.690 -6.356 8.764 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.053 -5.036 8.851 1.00 0.00 N ATOM 1574 CD2 HIS A 103 3.801 -7.123 8.805 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.364 -5.026 8.932 1.00 0.00 C ATOM 1576 NE2 HIS A 103 4.866 -6.270 8.919 1.00 0.00 N ATOM 0 H HIS A 103 1.893 -7.104 6.105 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.514 -6.712 7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.740 -6.452 9.560 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.219 -7.861 8.635 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.842 -8.201 8.757 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.962 -4.129 9.000 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.850 -6.530 8.982 1.00 0.00 H new ATOM 1584 N ILE A 104 0.968 -3.974 6.654 1.00 0.00 N ATOM 1585 CA ILE A 104 0.788 -2.519 6.605 1.00 0.00 C ATOM 1586 C ILE A 104 -0.432 -2.154 5.753 1.00 0.00 C ATOM 1587 O ILE A 104 -1.167 -1.224 6.063 1.00 0.00 O ATOM 1588 CB ILE A 104 2.104 -1.717 6.214 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.903 -0.198 6.003 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.809 -2.289 5.018 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.465 0.184 4.586 1.00 0.00 C ATOM 0 H ILE A 104 1.677 -4.344 6.020 1.00 0.00 H new ATOM 0 HA ILE A 104 0.584 -2.189 7.623 1.00 0.00 H new ATOM 0 HB ILE A 104 2.731 -1.841 7.097 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.156 0.161 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.836 0.317 6.235 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.699 -1.697 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.100 -3.319 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.141 -2.267 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.346 1.266 4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.221 -0.142 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.516 -0.300 4.356 1.00 0.00 H new ATOM 1603 N THR A 105 -0.667 -2.914 4.721 1.00 0.00 N ATOM 1604 CA THR A 105 -1.810 -2.634 3.880 1.00 0.00 C ATOM 1605 C THR A 105 -3.110 -3.213 4.456 1.00 0.00 C ATOM 1606 O THR A 105 -4.181 -2.697 4.186 1.00 0.00 O ATOM 1607 CB THR A 105 -1.605 -3.112 2.421 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.604 -2.517 1.580 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.739 -4.617 2.345 1.00 0.00 C ATOM 0 H THR A 105 -0.101 -3.715 4.441 1.00 0.00 H new ATOM 0 HA THR A 105 -1.904 -1.548 3.862 1.00 0.00 H new ATOM 0 HB THR A 105 -0.609 -2.817 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.475 -2.817 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.593 -4.944 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.987 -5.082 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.733 -4.911 2.682 1.00 0.00 H new ATOM 1617 N ARG A 106 -3.033 -4.295 5.206 1.00 0.00 N ATOM 1618 CA ARG A 106 -4.270 -4.848 5.724 1.00 0.00 C ATOM 1619 C ARG A 106 -4.601 -4.272 7.093 1.00 0.00 C ATOM 1620 O ARG A 106 -5.689 -3.760 7.292 1.00 0.00 O ATOM 1621 CB ARG A 106 -4.307 -6.389 5.738 1.00 0.00 C ATOM 1622 CG ARG A 106 -3.428 -7.039 6.786 1.00 0.00 C ATOM 1623 CD ARG A 106 -3.603 -8.541 6.824 1.00 0.00 C ATOM 1624 NE ARG A 106 -2.937 -9.115 7.995 1.00 0.00 N ATOM 1625 CZ ARG A 106 -2.537 -10.384 8.113 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -2.708 -11.250 7.115 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -1.984 -10.794 9.243 1.00 0.00 N ATOM 0 H ARG A 106 -2.177 -4.787 5.461 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.047 -4.543 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.336 -6.712 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.007 -6.754 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.384 -6.801 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.664 -6.622 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.665 -8.787 6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.194 -8.982 5.915 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.764 -8.495 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.149 -10.947 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.398 -12.216 7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.865 -10.142 10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.677 -11.762 9.339 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.624 -4.194 7.986 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.888 -3.808 9.367 1.00 0.00 C ATOM 1643 C ASP A 107 -3.897 -2.327 9.573 1.00 0.00 C ATOM 1644 O ASP A 107 -4.763 -1.796 10.278 1.00 0.00 O ATOM 1645 CB ASP A 107 -2.946 -4.502 10.360 1.00 0.00 C ATOM 1646 CG ASP A 107 -3.375 -5.919 10.696 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -3.032 -6.873 9.955 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -4.069 -6.109 11.717 1.00 0.00 O ATOM 0 H ASP A 107 -2.645 -4.392 7.781 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.899 -4.158 9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.939 -4.523 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.899 -3.916 11.278 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.967 -1.632 8.956 1.00 0.00 N ATOM 1654 CA ALA A 108 -2.952 -0.194 9.088 1.00 0.00 C ATOM 1655 C ALA A 108 -4.218 0.376 8.470 1.00 0.00 C ATOM 1656 O ALA A 108 -4.867 1.199 9.065 1.00 0.00 O ATOM 1657 CB ALA A 108 -1.702 0.419 8.499 1.00 0.00 C ATOM 0 H ALA A 108 -2.229 -2.027 8.373 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.932 0.063 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.735 1.502 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.826 0.022 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.642 0.176 7.438 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.656 -0.222 7.365 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.876 0.234 6.672 1.00 0.00 C ATOM 1665 C TYR A 109 -7.110 -0.064 7.536 1.00 0.00 C ATOM 1666 O TYR A 109 -8.158 0.539 7.423 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.965 -0.390 5.265 1.00 0.00 C ATOM 1668 CG TYR A 109 -5.025 0.232 4.234 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.665 0.398 4.482 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.504 0.620 2.995 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.824 0.931 3.527 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.673 1.159 2.036 1.00 0.00 C ATOM 1673 CZ TYR A 109 -3.334 1.311 2.308 1.00 0.00 C ATOM 1674 OH TYR A 109 -2.502 1.837 1.353 1.00 0.00 O ATOM 0 H TYR A 109 -4.194 -1.019 6.926 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.835 1.314 6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.747 -1.455 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.990 -0.298 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.261 0.104 5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.554 0.498 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.771 1.049 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -5.071 1.460 1.078 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.021 2.052 0.550 1.00 0.00 H new ATOM 1684 N ARG A 110 -6.897 -0.983 8.425 1.00 0.00 N ATOM 1685 CA ARG A 110 -7.960 -1.256 9.387 1.00 0.00 C ATOM 1686 C ARG A 110 -8.106 -0.132 10.434 1.00 0.00 C ATOM 1687 O ARG A 110 -9.008 -0.153 11.258 1.00 0.00 O ATOM 1688 CB ARG A 110 -7.887 -2.654 9.986 1.00 0.00 C ATOM 1689 CG ARG A 110 -8.137 -3.725 8.941 1.00 0.00 C ATOM 1690 CD ARG A 110 -9.538 -3.613 8.337 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.768 -4.572 7.256 1.00 0.00 N ATOM 1692 CZ ARG A 110 -10.964 -5.026 6.872 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -12.071 -4.458 7.328 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -11.048 -6.002 5.971 1.00 0.00 N ATOM 0 H ARG A 110 -6.048 -1.541 8.519 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.892 -1.252 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.906 -2.806 10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -8.622 -2.746 10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.392 -3.642 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.013 -4.709 9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.280 -3.770 9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.685 -2.602 7.957 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.950 -4.921 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -12.012 -3.671 7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -12.983 -4.807 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.199 -6.404 5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.962 -6.348 5.678 1.00 0.00 H new ATOM 1708 N SER A 111 -7.206 0.843 10.403 1.00 0.00 N ATOM 1709 CA SER A 111 -7.334 2.022 11.254 1.00 0.00 C ATOM 1710 C SER A 111 -7.937 3.275 10.551 1.00 0.00 C ATOM 1711 O SER A 111 -8.503 4.130 11.238 1.00 0.00 O ATOM 1712 CB SER A 111 -5.993 2.369 11.898 1.00 0.00 C ATOM 1713 OG SER A 111 -5.527 1.287 12.688 1.00 0.00 O ATOM 0 H SER A 111 -6.383 0.842 9.801 1.00 0.00 H new ATOM 0 HA SER A 111 -8.057 1.742 12.020 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.262 2.604 11.125 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.100 3.260 12.517 1.00 0.00 H new ATOM 0 HG SER A 111 -4.666 1.524 13.092 1.00 0.00 H new ATOM 1719 N TRP A 112 -7.898 3.378 9.212 1.00 0.00 N ATOM 1720 CA TRP A 112 -8.345 4.611 8.525 1.00 0.00 C ATOM 1721 C TRP A 112 -9.063 4.299 7.222 1.00 0.00 C ATOM 1722 O TRP A 112 -9.492 5.195 6.503 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.126 5.543 8.238 1.00 0.00 C ATOM 1724 CG TRP A 112 -5.798 4.860 8.407 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -5.279 3.875 7.620 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -4.833 5.104 9.433 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -4.048 3.515 8.070 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -3.754 4.235 9.201 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -4.784 5.969 10.530 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -2.630 4.208 10.023 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -3.672 5.941 11.344 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -2.611 5.065 11.088 1.00 0.00 C ATOM 0 H TRP A 112 -7.569 2.640 8.590 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.046 5.118 9.188 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -7.202 5.925 7.220 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -7.171 6.403 8.906 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -5.774 3.443 6.763 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -3.440 2.821 7.636 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -5.601 6.645 10.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -1.807 3.537 9.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -3.619 6.606 12.193 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -1.756 5.066 11.748 1.00 0.00 H new ATOM 1743 N THR A 113 -9.231 3.037 6.947 1.00 0.00 N ATOM 1744 CA THR A 113 -9.762 2.636 5.666 1.00 0.00 C ATOM 1745 C THR A 113 -10.972 1.723 5.837 1.00 0.00 C ATOM 1746 O THR A 113 -12.101 2.112 5.545 1.00 0.00 O ATOM 1747 CB THR A 113 -8.692 1.900 4.853 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.431 2.569 4.983 1.00 0.00 O ATOM 1749 CG2 THR A 113 -9.068 1.868 3.398 1.00 0.00 C ATOM 0 H THR A 113 -9.012 2.270 7.583 1.00 0.00 H new ATOM 0 HA THR A 113 -10.070 3.538 5.138 1.00 0.00 H new ATOM 0 HB THR A 113 -8.616 0.882 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.582 3.525 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.297 1.342 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.021 1.352 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.159 2.887 3.023 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.750 0.522 6.336 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.810 -0.467 6.428 1.00 0.00 C ATOM 1759 C ASN A 114 -11.834 -1.049 7.811 1.00 0.00 C ATOM 1760 O ASN A 114 -10.993 -0.649 8.630 1.00 0.00 O ATOM 1761 CB ASN A 114 -11.666 -1.580 5.369 1.00 0.00 C ATOM 1762 CG ASN A 114 -11.740 -1.099 3.913 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -11.215 -1.749 3.014 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -12.320 0.065 3.668 1.00 0.00 N ATOM 1765 OXT ASN A 114 -12.692 -1.898 8.113 1.00 0.00 O ATOM 0 H ASN A 114 -9.845 0.206 6.684 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.756 0.035 6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.712 -2.086 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.449 -2.320 5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -12.336 0.437 2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.751 0.590 4.429 1.00 0.00 H new