USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -2.15! C(o=-1.2!,f=-14!) USER MOD Set 1.2: A 96 THR OG1 : rot 176:sc= 0.959 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.231 F(o=-0.83,f=-0.23) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 107:sc= -1.25 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 33 TYR OH : rot 169:sc= -3.01! USER MOD Single : A 34 SER OG : rot 7:sc= 0.35 USER MOD Single : A 36 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 37 SER OG : rot 32:sc= 0.0774 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -6.87! C(o=-8.1!,f=-6.9!) USER MOD Single : A 45 SER OG : rot -97:sc= 0.267 USER MOD Single : A 47 SER OG : rot -52:sc= -4.9! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 82:sc= 0.0228 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 57 MET CE :methyl 161:sc= -0.0239 (180deg=-0.557) USER MOD Single : A 60 ASN : amide:sc= -1.65 X(o=-1.7,f=-2.1!) USER MOD Single : A 68 SER OG : rot 29:sc= 0.804 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.03 X(o=-1,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0985 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.055) USER MOD Single : A 82 HIS : no HE2:sc= -5! C(o=-5!,f=-5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 79:sc= 1.78 USER MOD Single : A 97 TYR OH : rot 59:sc= -4.6 USER MOD Single : A 98 SER OG : rot 180:sc= -0.405 USER MOD Single : A 100 ASN : amide:sc= -4.69! C(o=-4.7!,f=-8.6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.15) USER MOD Single : A 109 SER OG : rot -162:sc= -5.07! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= -2.32 F(o=-6.9!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 33.358 6.076 -1.688 1.00 0.00 N ATOM 2 CA ARG A 7 32.540 5.553 -2.775 1.00 0.00 C ATOM 3 C ARG A 7 31.133 5.226 -2.289 1.00 0.00 C ATOM 4 O ARG A 7 30.954 4.616 -1.235 1.00 0.00 O ATOM 5 CB ARG A 7 33.186 4.303 -3.374 1.00 0.00 C ATOM 6 CG ARG A 7 33.046 4.214 -4.885 1.00 0.00 C ATOM 7 CD ARG A 7 34.047 3.238 -5.480 1.00 0.00 C ATOM 8 NE ARG A 7 34.637 3.743 -6.716 1.00 0.00 N ATOM 9 CZ ARG A 7 35.338 2.990 -7.558 1.00 0.00 C ATOM 10 NH1 ARG A 7 35.533 1.705 -7.298 1.00 0.00 N ATOM 11 NH2 ARG A 7 35.843 3.523 -8.662 1.00 0.00 N ATOM 0 HA ARG A 7 32.471 6.322 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 7 34.244 4.290 -3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.736 3.419 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 7 32.034 3.900 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 7 33.193 5.201 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 7 34.837 3.042 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 7 33.552 2.287 -5.677 1.00 0.00 H new ATOM 0 HE ARG A 7 34.504 4.728 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 7 35.145 1.292 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 7 36.071 1.130 -7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 7 35.694 4.511 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 7 36.381 2.945 -9.308 1.00 0.00 H new ATOM 25 N ARG A 8 30.137 5.632 -3.068 1.00 0.00 N ATOM 26 CA ARG A 8 28.744 5.380 -2.724 1.00 0.00 C ATOM 27 C ARG A 8 28.364 3.934 -3.025 1.00 0.00 C ATOM 28 O ARG A 8 29.203 3.130 -3.432 1.00 0.00 O ATOM 29 CB ARG A 8 27.828 6.330 -3.498 1.00 0.00 C ATOM 30 CG ARG A 8 28.315 7.769 -3.511 1.00 0.00 C ATOM 31 CD ARG A 8 27.199 8.738 -3.160 1.00 0.00 C ATOM 32 NE ARG A 8 27.417 9.378 -1.866 1.00 0.00 N ATOM 33 CZ ARG A 8 26.516 10.146 -1.264 1.00 0.00 C ATOM 34 NH1 ARG A 8 26.788 10.693 -0.087 1.00 0.00 N ATOM 35 NH2 ARG A 8 25.341 10.368 -1.838 1.00 0.00 N ATOM 0 H ARG A 8 30.269 6.138 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 8 28.621 5.555 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.737 5.977 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 8 26.830 6.297 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.134 7.883 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 8 28.712 8.011 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.125 9.502 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.248 8.206 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 8 28.311 9.227 -1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 8 27.690 10.524 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 8 26.095 11.283 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 8 25.128 9.949 -2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 8 24.650 10.958 -1.374 1.00 0.00 H new ATOM 49 N CYS A 9 27.091 3.613 -2.828 1.00 0.00 N ATOM 50 CA CYS A 9 26.586 2.274 -3.084 1.00 0.00 C ATOM 51 C CYS A 9 26.011 2.175 -4.492 1.00 0.00 C ATOM 52 O CYS A 9 25.739 3.191 -5.133 1.00 0.00 O ATOM 53 CB CYS A 9 25.519 1.911 -2.053 1.00 0.00 C ATOM 54 SG CYS A 9 26.181 1.183 -0.520 1.00 0.00 S ATOM 0 H CYS A 9 26.387 4.269 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 9 27.415 1.571 -3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.953 2.808 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 9 24.819 1.208 -2.503 1.00 0.00 H new ATOM 59 N PRO A 10 25.831 0.947 -5.001 1.00 0.00 N ATOM 60 CA PRO A 10 25.289 0.728 -6.342 1.00 0.00 C ATOM 61 C PRO A 10 23.893 1.317 -6.481 1.00 0.00 C ATOM 62 O PRO A 10 23.482 2.143 -5.670 1.00 0.00 O ATOM 63 CB PRO A 10 25.258 -0.796 -6.496 1.00 0.00 C ATOM 64 CG PRO A 10 25.389 -1.343 -5.116 1.00 0.00 C ATOM 65 CD PRO A 10 26.126 -0.313 -4.307 1.00 0.00 C ATOM 0 HA PRO A 10 25.890 1.214 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.328 -1.124 -6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.072 -1.142 -7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.408 -1.543 -4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.932 -2.288 -5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.780 -0.292 -3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.197 -0.515 -4.281 1.00 0.00 H new ATOM 73 N SER A 11 23.168 0.897 -7.510 1.00 0.00 N ATOM 74 CA SER A 11 21.818 1.394 -7.737 1.00 0.00 C ATOM 75 C SER A 11 20.823 0.707 -6.804 1.00 0.00 C ATOM 76 O SER A 11 20.475 -0.455 -7.011 1.00 0.00 O ATOM 77 CB SER A 11 21.405 1.164 -9.193 1.00 0.00 C ATOM 78 OG SER A 11 20.524 2.180 -9.640 1.00 0.00 O ATOM 0 H SER A 11 23.491 0.216 -8.198 1.00 0.00 H new ATOM 0 HA SER A 11 21.812 2.464 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.292 1.143 -9.827 1.00 0.00 H new ATOM 0 HB3 SER A 11 20.922 0.192 -9.288 1.00 0.00 H new ATOM 0 HG SER A 11 20.276 2.011 -10.573 1.00 0.00 H new ATOM 84 N PRO A 12 20.353 1.408 -5.754 1.00 0.00 N ATOM 85 CA PRO A 12 19.387 0.842 -4.809 1.00 0.00 C ATOM 86 C PRO A 12 18.133 0.346 -5.516 1.00 0.00 C ATOM 87 O PRO A 12 17.680 0.946 -6.490 1.00 0.00 O ATOM 88 CB PRO A 12 19.054 2.004 -3.868 1.00 0.00 C ATOM 89 CG PRO A 12 19.538 3.228 -4.563 1.00 0.00 C ATOM 90 CD PRO A 12 20.692 2.800 -5.418 1.00 0.00 C ATOM 0 HA PRO A 12 19.791 -0.025 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.982 2.059 -3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.545 1.881 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.747 3.668 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.848 3.986 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.786 3.420 -6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.639 2.867 -4.882 1.00 0.00 H new ATOM 98 N ARG A 13 17.587 -0.765 -5.036 1.00 0.00 N ATOM 99 CA ARG A 13 16.389 -1.340 -5.638 1.00 0.00 C ATOM 100 C ARG A 13 15.295 -0.289 -5.754 1.00 0.00 C ATOM 101 O ARG A 13 15.418 0.809 -5.211 1.00 0.00 O ATOM 102 CB ARG A 13 15.890 -2.539 -4.830 1.00 0.00 C ATOM 103 CG ARG A 13 15.670 -3.783 -5.675 1.00 0.00 C ATOM 104 CD ARG A 13 16.308 -5.011 -5.048 1.00 0.00 C ATOM 105 NE ARG A 13 15.830 -6.247 -5.661 1.00 0.00 N ATOM 106 CZ ARG A 13 16.476 -7.405 -5.584 1.00 0.00 C ATOM 107 NH1 ARG A 13 15.977 -8.485 -6.171 1.00 0.00 N ATOM 108 NH2 ARG A 13 17.620 -7.486 -4.920 1.00 0.00 N ATOM 0 H ARG A 13 17.951 -1.283 -4.237 1.00 0.00 H new ATOM 0 HA ARG A 13 16.648 -1.688 -6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.611 -2.765 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.955 -2.273 -4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.601 -3.953 -5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.086 -3.625 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.391 -4.950 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.090 -5.028 -3.980 1.00 0.00 H new ATOM 0 HE ARG A 13 14.951 -6.220 -6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.096 -8.427 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.474 -9.374 -6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.006 -6.658 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.114 -8.376 -4.862 1.00 0.00 H new ATOM 122 N ASP A 14 14.235 -0.618 -6.479 1.00 0.00 N ATOM 123 CA ASP A 14 13.158 0.331 -6.708 1.00 0.00 C ATOM 124 C ASP A 14 11.777 -0.254 -6.404 1.00 0.00 C ATOM 125 O ASP A 14 10.772 0.446 -6.503 1.00 0.00 O ATOM 126 CB ASP A 14 13.198 0.788 -8.161 1.00 0.00 C ATOM 127 CG ASP A 14 13.694 2.212 -8.312 1.00 0.00 C ATOM 128 OD1 ASP A 14 12.851 3.124 -8.438 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.926 2.415 -8.298 1.00 0.00 O ATOM 0 H ASP A 14 14.099 -1.530 -6.916 1.00 0.00 H new ATOM 0 HA ASP A 14 13.312 1.168 -6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.844 0.120 -8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.199 0.708 -8.591 1.00 0.00 H new ATOM 134 N ILE A 15 11.739 -1.542 -6.089 1.00 0.00 N ATOM 135 CA ILE A 15 10.498 -2.251 -5.810 1.00 0.00 C ATOM 136 C ILE A 15 9.500 -2.124 -6.962 1.00 0.00 C ATOM 137 O ILE A 15 9.596 -1.214 -7.785 1.00 0.00 O ATOM 138 CB ILE A 15 9.866 -1.804 -4.476 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.940 -2.893 -3.961 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.117 -0.481 -4.586 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.942 -2.996 -2.458 1.00 0.00 C ATOM 0 H ILE A 15 12.572 -2.127 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 15 10.756 -3.306 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 15 10.681 -1.641 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.925 -2.694 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.240 -3.850 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.695 -0.220 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.806 0.302 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.314 -0.577 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.263 -3.790 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.950 -3.223 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.615 -2.049 -2.028 1.00 0.00 H new ATOM 153 N ASP A 16 8.567 -3.067 -7.037 1.00 0.00 N ATOM 154 CA ASP A 16 7.580 -3.077 -8.110 1.00 0.00 C ATOM 155 C ASP A 16 6.234 -2.541 -7.634 1.00 0.00 C ATOM 156 O ASP A 16 5.619 -1.705 -8.297 1.00 0.00 O ATOM 157 CB ASP A 16 7.412 -4.497 -8.656 1.00 0.00 C ATOM 158 CG ASP A 16 6.367 -4.579 -9.752 1.00 0.00 C ATOM 159 OD1 ASP A 16 6.065 -3.532 -10.363 1.00 0.00 O ATOM 160 OD2 ASP A 16 5.853 -5.689 -10.000 1.00 0.00 O ATOM 0 H ASP A 16 8.474 -3.832 -6.369 1.00 0.00 H new ATOM 0 HA ASP A 16 7.942 -2.423 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.368 -4.849 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.132 -5.165 -7.841 1.00 0.00 H new ATOM 165 N ASN A 17 5.780 -3.026 -6.484 1.00 0.00 N ATOM 166 CA ASN A 17 4.501 -2.598 -5.927 1.00 0.00 C ATOM 167 C ASN A 17 4.694 -1.454 -4.942 1.00 0.00 C ATOM 168 O ASN A 17 4.027 -1.389 -3.910 1.00 0.00 O ATOM 169 CB ASN A 17 3.801 -3.771 -5.237 1.00 0.00 C ATOM 170 CG ASN A 17 4.005 -5.081 -5.975 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.085 -5.008 -7.299 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 4.102 -6.143 -5.361 1.00 0.00 N flip ATOM 0 H ASN A 17 6.277 -3.715 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 17 3.876 -2.245 -6.747 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.178 -3.868 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.734 -3.561 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.034 -6.152 -4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.250 -7.015 -5.870 1.00 0.00 H new ATOM 179 N GLY A 18 5.609 -0.550 -5.272 1.00 0.00 N ATOM 180 CA GLY A 18 5.874 0.582 -4.407 1.00 0.00 C ATOM 181 C GLY A 18 6.984 1.474 -4.924 1.00 0.00 C ATOM 182 O GLY A 18 7.390 1.368 -6.081 1.00 0.00 O ATOM 0 H GLY A 18 6.171 -0.581 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.963 1.171 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.139 0.219 -3.414 1.00 0.00 H new ATOM 186 N GLN A 19 7.474 2.355 -4.059 1.00 0.00 N ATOM 187 CA GLN A 19 8.552 3.265 -4.415 1.00 0.00 C ATOM 188 C GLN A 19 9.570 3.331 -3.285 1.00 0.00 C ATOM 189 O GLN A 19 9.393 2.703 -2.241 1.00 0.00 O ATOM 190 CB GLN A 19 8.008 4.668 -4.711 1.00 0.00 C ATOM 191 CG GLN A 19 6.562 4.688 -5.184 1.00 0.00 C ATOM 192 CD GLN A 19 6.268 5.845 -6.118 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.665 5.834 -7.283 1.00 0.00 O ATOM 194 NE2 GLN A 19 5.566 6.851 -5.609 1.00 0.00 N ATOM 0 H GLN A 19 7.138 2.457 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 19 9.036 2.888 -5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.093 5.276 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.634 5.136 -5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.337 3.750 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.902 4.748 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.257 6.817 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.335 7.657 -6.190 1.00 0.00 H new ATOM 203 N LEU A 20 10.639 4.082 -3.499 1.00 0.00 N ATOM 204 CA LEU A 20 11.682 4.218 -2.491 1.00 0.00 C ATOM 205 C LEU A 20 11.968 5.681 -2.181 1.00 0.00 C ATOM 206 O LEU A 20 11.814 6.557 -3.032 1.00 0.00 O ATOM 207 CB LEU A 20 12.981 3.534 -2.939 1.00 0.00 C ATOM 208 CG LEU A 20 12.859 2.566 -4.117 1.00 0.00 C ATOM 209 CD1 LEU A 20 12.555 3.321 -5.398 1.00 0.00 C ATOM 210 CD2 LEU A 20 11.792 1.520 -3.852 1.00 0.00 C ATOM 0 H LEU A 20 10.808 4.605 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 20 11.314 3.730 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.703 4.307 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.393 2.990 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 20 13.814 2.054 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.472 2.616 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.616 3.863 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.359 4.028 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.725 0.844 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.053 0.952 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.830 2.011 -3.702 1.00 0.00 H new ATOM 222 N ASP A 21 12.410 5.924 -0.955 1.00 0.00 N ATOM 223 CA ASP A 21 12.774 7.263 -0.509 1.00 0.00 C ATOM 224 C ASP A 21 14.261 7.303 -0.178 1.00 0.00 C ATOM 225 O ASP A 21 14.655 7.134 0.976 1.00 0.00 O ATOM 226 CB ASP A 21 11.951 7.660 0.718 1.00 0.00 C ATOM 227 CG ASP A 21 11.834 9.163 0.876 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.657 9.748 1.610 1.00 0.00 O ATOM 229 OD2 ASP A 21 10.917 9.755 0.267 1.00 0.00 O ATOM 0 H ASP A 21 12.526 5.202 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 21 12.563 7.973 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.954 7.227 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.411 7.238 1.612 1.00 0.00 H new ATOM 234 N ILE A 22 15.082 7.478 -1.206 1.00 0.00 N ATOM 235 CA ILE A 22 16.529 7.469 -1.039 1.00 0.00 C ATOM 236 C ILE A 22 17.053 8.772 -0.454 1.00 0.00 C ATOM 237 O ILE A 22 17.189 9.774 -1.156 1.00 0.00 O ATOM 238 CB ILE A 22 17.240 7.196 -2.371 1.00 0.00 C ATOM 239 CG1 ILE A 22 16.521 6.039 -3.101 1.00 0.00 C ATOM 240 CG2 ILE A 22 18.724 6.922 -2.126 1.00 0.00 C ATOM 241 CD1 ILE A 22 17.389 4.851 -3.484 1.00 0.00 C ATOM 0 H ILE A 22 14.769 7.628 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 22 16.747 6.665 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 22 17.191 8.071 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 22 15.711 5.682 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.063 6.436 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.220 6.729 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.180 7.789 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.831 6.052 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 22 16.779 4.102 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.184 5.182 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 22 17.827 4.416 -2.586 1.00 0.00 H new ATOM 253 N GLY A 23 17.379 8.740 0.833 1.00 0.00 N ATOM 254 CA GLY A 23 17.946 9.904 1.483 1.00 0.00 C ATOM 255 C GLY A 23 19.457 9.812 1.583 1.00 0.00 C ATOM 256 O GLY A 23 20.076 10.489 2.403 1.00 0.00 O ATOM 0 H GLY A 23 17.260 7.927 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.672 10.801 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.521 10.006 2.482 1.00 0.00 H new ATOM 260 N GLY A 24 20.049 8.959 0.748 1.00 0.00 N ATOM 261 CA GLY A 24 21.487 8.776 0.761 1.00 0.00 C ATOM 262 C GLY A 24 21.890 7.416 0.227 1.00 0.00 C ATOM 263 O GLY A 24 21.208 6.420 0.467 1.00 0.00 O ATOM 0 H GLY A 24 19.553 8.391 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 24 21.957 9.555 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.858 8.890 1.780 1.00 0.00 H new ATOM 267 N VAL A 25 22.991 7.376 -0.513 1.00 0.00 N ATOM 268 CA VAL A 25 23.468 6.131 -1.103 1.00 0.00 C ATOM 269 C VAL A 25 24.937 5.887 -0.780 1.00 0.00 C ATOM 270 O VAL A 25 25.652 5.251 -1.553 1.00 0.00 O ATOM 271 CB VAL A 25 23.284 6.132 -2.631 1.00 0.00 C ATOM 272 CG1 VAL A 25 21.813 5.987 -2.992 1.00 0.00 C ATOM 273 CG2 VAL A 25 23.868 7.399 -3.236 1.00 0.00 C ATOM 0 H VAL A 25 23.570 8.190 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 25 22.871 5.329 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 25 23.820 5.278 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 25 21.702 5.990 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.431 5.048 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.251 6.819 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 25 23.729 7.383 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 25 23.362 8.269 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 25 24.932 7.454 -3.007 1.00 0.00 H new ATOM 283 N ASP A 26 25.381 6.385 0.368 1.00 0.00 N ATOM 284 CA ASP A 26 26.765 6.201 0.789 1.00 0.00 C ATOM 285 C ASP A 26 26.859 5.170 1.906 1.00 0.00 C ATOM 286 O ASP A 26 25.855 4.810 2.521 1.00 0.00 O ATOM 287 CB ASP A 26 27.365 7.528 1.252 1.00 0.00 C ATOM 288 CG ASP A 26 28.867 7.450 1.444 1.00 0.00 C ATOM 289 OD1 ASP A 26 29.433 8.365 2.079 1.00 0.00 O ATOM 290 OD2 ASP A 26 29.478 6.474 0.960 1.00 0.00 O ATOM 0 H ASP A 26 24.806 6.917 1.021 1.00 0.00 H new ATOM 0 HA ASP A 26 27.332 5.837 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.135 8.302 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 26 26.897 7.827 2.190 1.00 0.00 H new ATOM 295 N PHE A 27 28.071 4.694 2.156 1.00 0.00 N ATOM 296 CA PHE A 27 28.305 3.698 3.194 1.00 0.00 C ATOM 297 C PHE A 27 27.880 4.225 4.560 1.00 0.00 C ATOM 298 O PHE A 27 28.672 4.843 5.271 1.00 0.00 O ATOM 299 CB PHE A 27 29.787 3.305 3.225 1.00 0.00 C ATOM 300 CG PHE A 27 30.064 1.953 3.834 1.00 0.00 C ATOM 301 CD1 PHE A 27 31.304 1.355 3.673 1.00 0.00 C ATOM 302 CD2 PHE A 27 29.096 1.285 4.573 1.00 0.00 C ATOM 303 CE1 PHE A 27 31.573 0.120 4.230 1.00 0.00 C ATOM 304 CE2 PHE A 27 29.360 0.048 5.130 1.00 0.00 C ATOM 305 CZ PHE A 27 30.599 -0.535 4.958 1.00 0.00 C ATOM 0 H PHE A 27 28.910 4.982 1.653 1.00 0.00 H new ATOM 0 HA PHE A 27 27.705 2.818 2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.174 3.316 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.339 4.061 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 27 32.070 1.861 3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 27 28.126 1.738 4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 27 32.544 -0.333 4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 27 28.597 -0.462 5.700 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.807 -1.502 5.392 1.00 0.00 H new ATOM 315 N GLY A 28 26.624 3.980 4.918 1.00 0.00 N ATOM 316 CA GLY A 28 26.120 4.431 6.202 1.00 0.00 C ATOM 317 C GLY A 28 24.734 5.048 6.121 1.00 0.00 C ATOM 318 O GLY A 28 24.164 5.428 7.143 1.00 0.00 O ATOM 0 H GLY A 28 25.947 3.478 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.095 3.587 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.812 5.163 6.619 1.00 0.00 H new ATOM 322 N SER A 29 24.186 5.155 4.912 1.00 0.00 N ATOM 323 CA SER A 29 22.860 5.730 4.732 1.00 0.00 C ATOM 324 C SER A 29 21.797 4.639 4.706 1.00 0.00 C ATOM 325 O SER A 29 22.093 3.465 4.930 1.00 0.00 O ATOM 326 CB SER A 29 22.804 6.547 3.441 1.00 0.00 C ATOM 327 OG SER A 29 22.089 7.755 3.633 1.00 0.00 O ATOM 0 H SER A 29 24.638 4.852 4.049 1.00 0.00 H new ATOM 0 HA SER A 29 22.659 6.390 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.816 6.770 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 29 22.328 5.960 2.656 1.00 0.00 H new ATOM 0 HG SER A 29 22.716 8.508 3.646 1.00 0.00 H new ATOM 333 N SER A 30 20.560 5.034 4.435 1.00 0.00 N ATOM 334 CA SER A 30 19.454 4.087 4.381 1.00 0.00 C ATOM 335 C SER A 30 18.315 4.626 3.527 1.00 0.00 C ATOM 336 O SER A 30 18.055 5.829 3.504 1.00 0.00 O ATOM 337 CB SER A 30 18.945 3.781 5.791 1.00 0.00 C ATOM 338 OG SER A 30 19.075 4.910 6.638 1.00 0.00 O ATOM 0 H SER A 30 20.297 6.002 4.249 1.00 0.00 H new ATOM 0 HA SER A 30 19.822 3.167 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.900 3.476 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.504 2.943 6.209 1.00 0.00 H new ATOM 0 HG SER A 30 18.741 4.688 7.532 1.00 0.00 H new ATOM 344 N ILE A 31 17.642 3.725 2.824 1.00 0.00 N ATOM 345 CA ILE A 31 16.520 4.101 1.971 1.00 0.00 C ATOM 346 C ILE A 31 15.199 3.797 2.672 1.00 0.00 C ATOM 347 O ILE A 31 15.175 3.091 3.678 1.00 0.00 O ATOM 348 CB ILE A 31 16.548 3.372 0.602 1.00 0.00 C ATOM 349 CG1 ILE A 31 17.934 2.796 0.288 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.134 4.321 -0.504 1.00 0.00 C ATOM 351 CD1 ILE A 31 17.974 1.998 -0.996 1.00 0.00 C ATOM 0 H ILE A 31 17.853 2.727 2.827 1.00 0.00 H new ATOM 0 HA ILE A 31 16.611 5.171 1.784 1.00 0.00 H new ATOM 0 HB ILE A 31 15.843 2.543 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.653 3.613 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.250 2.159 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.158 3.798 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.124 4.683 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.822 5.166 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 31 18.983 1.620 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.279 1.161 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.688 2.638 -1.831 1.00 0.00 H new ATOM 363 N THR A 32 14.103 4.340 2.147 1.00 0.00 N ATOM 364 CA THR A 32 12.784 4.109 2.733 1.00 0.00 C ATOM 365 C THR A 32 11.802 3.613 1.680 1.00 0.00 C ATOM 366 O THR A 32 11.467 4.333 0.743 1.00 0.00 O ATOM 367 CB THR A 32 12.255 5.389 3.382 1.00 0.00 C ATOM 368 OG1 THR A 32 13.288 6.349 3.511 1.00 0.00 O ATOM 369 CG2 THR A 32 11.664 5.161 4.756 1.00 0.00 C ATOM 0 H THR A 32 14.101 4.940 1.322 1.00 0.00 H new ATOM 0 HA THR A 32 12.885 3.341 3.500 1.00 0.00 H new ATOM 0 HB THR A 32 11.466 5.746 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.930 7.161 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.307 6.108 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.831 4.461 4.682 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.427 4.749 5.416 1.00 0.00 H new ATOM 377 N TYR A 33 11.337 2.378 1.842 1.00 0.00 N ATOM 378 CA TYR A 33 10.418 1.786 0.876 1.00 0.00 C ATOM 379 C TYR A 33 8.962 2.022 1.253 1.00 0.00 C ATOM 380 O TYR A 33 8.613 2.106 2.429 1.00 0.00 O ATOM 381 CB TYR A 33 10.684 0.290 0.747 1.00 0.00 C ATOM 382 CG TYR A 33 11.828 -0.019 -0.181 1.00 0.00 C ATOM 383 CD1 TYR A 33 11.615 -0.676 -1.383 1.00 0.00 C ATOM 384 CD2 TYR A 33 13.123 0.360 0.142 1.00 0.00 C ATOM 385 CE1 TYR A 33 12.666 -0.956 -2.237 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.177 0.086 -0.705 1.00 0.00 C ATOM 387 CZ TYR A 33 13.945 -0.569 -1.893 1.00 0.00 C ATOM 388 OH TYR A 33 14.995 -0.843 -2.738 1.00 0.00 O ATOM 0 H TYR A 33 11.579 1.772 2.626 1.00 0.00 H new ATOM 0 HA TYR A 33 10.595 2.274 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.899 -0.123 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.783 -0.205 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.613 -0.974 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.309 0.878 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.487 -1.474 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.180 0.384 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 33 15.792 -0.359 -2.437 1.00 0.00 H new ATOM 398 N SER A 34 8.120 2.117 0.231 1.00 0.00 N ATOM 399 CA SER A 34 6.689 2.319 0.423 1.00 0.00 C ATOM 400 C SER A 34 5.912 1.712 -0.738 1.00 0.00 C ATOM 401 O SER A 34 6.387 1.706 -1.873 1.00 0.00 O ATOM 402 CB SER A 34 6.370 3.811 0.542 1.00 0.00 C ATOM 403 OG SER A 34 6.841 4.341 1.769 1.00 0.00 O ATOM 0 H SER A 34 8.406 2.057 -0.746 1.00 0.00 H new ATOM 0 HA SER A 34 6.391 1.823 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.826 4.350 -0.289 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.293 3.962 0.467 1.00 0.00 H new ATOM 0 HG SER A 34 7.375 3.664 2.234 1.00 0.00 H new ATOM 409 N CYS A 35 4.716 1.206 -0.454 1.00 0.00 N ATOM 410 CA CYS A 35 3.891 0.588 -1.482 1.00 0.00 C ATOM 411 C CYS A 35 3.383 1.631 -2.468 1.00 0.00 C ATOM 412 O CYS A 35 3.502 2.834 -2.232 1.00 0.00 O ATOM 413 CB CYS A 35 2.717 -0.149 -0.839 1.00 0.00 C ATOM 414 SG CYS A 35 3.107 -1.850 -0.313 1.00 0.00 S ATOM 0 H CYS A 35 4.299 1.212 0.477 1.00 0.00 H new ATOM 0 HA CYS A 35 4.503 -0.129 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.375 0.419 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.889 -0.180 -1.547 1.00 0.00 H new ATOM 419 N ASN A 36 2.837 1.164 -3.583 1.00 0.00 N ATOM 420 CA ASN A 36 2.345 2.059 -4.624 1.00 0.00 C ATOM 421 C ASN A 36 1.109 2.822 -4.158 1.00 0.00 C ATOM 422 O ASN A 36 1.212 3.948 -3.671 1.00 0.00 O ATOM 423 CB ASN A 36 2.030 1.268 -5.895 1.00 0.00 C ATOM 424 CG ASN A 36 3.220 1.177 -6.829 1.00 0.00 C ATOM 425 OD1 ASN A 36 3.958 2.146 -7.010 1.00 0.00 O ATOM 426 ND2 ASN A 36 3.413 0.008 -7.429 1.00 0.00 N ATOM 0 H ASN A 36 2.723 0.172 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 36 3.128 2.786 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.707 0.263 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.198 1.740 -6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.198 -0.113 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.776 -0.769 -7.250 1.00 0.00 H new ATOM 433 N SER A 37 -0.058 2.209 -4.318 1.00 0.00 N ATOM 434 CA SER A 37 -1.310 2.830 -3.910 1.00 0.00 C ATOM 435 C SER A 37 -2.337 1.769 -3.543 1.00 0.00 C ATOM 436 O SER A 37 -2.499 0.776 -4.252 1.00 0.00 O ATOM 437 CB SER A 37 -1.855 3.721 -5.028 1.00 0.00 C ATOM 438 OG SER A 37 -1.454 5.068 -4.849 1.00 0.00 O ATOM 0 H SER A 37 -0.162 1.281 -4.728 1.00 0.00 H new ATOM 0 HA SER A 37 -1.115 3.447 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.500 3.358 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.943 3.662 -5.046 1.00 0.00 H new ATOM 0 HG SER A 37 -0.572 5.093 -4.422 1.00 0.00 H new ATOM 444 N GLY A 38 -3.024 1.980 -2.428 1.00 0.00 N ATOM 445 CA GLY A 38 -4.006 1.017 -1.978 1.00 0.00 C ATOM 446 C GLY A 38 -3.365 -0.296 -1.584 1.00 0.00 C ATOM 447 O GLY A 38 -4.000 -1.350 -1.639 1.00 0.00 O ATOM 0 H GLY A 38 -2.918 2.799 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.552 1.425 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.734 0.843 -2.770 1.00 0.00 H new ATOM 451 N TYR A 39 -2.101 -0.231 -1.181 1.00 0.00 N ATOM 452 CA TYR A 39 -1.362 -1.421 -0.785 1.00 0.00 C ATOM 453 C TYR A 39 -0.859 -1.305 0.649 1.00 0.00 C ATOM 454 O TYR A 39 -0.941 -0.242 1.266 1.00 0.00 O ATOM 455 CB TYR A 39 -0.172 -1.637 -1.722 1.00 0.00 C ATOM 456 CG TYR A 39 -0.454 -2.583 -2.867 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.518 -3.471 -3.309 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.686 -2.586 -3.506 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.269 -4.339 -4.354 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.943 -3.452 -4.552 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.963 -4.325 -4.972 1.00 0.00 C ATOM 462 OH TYR A 39 -1.216 -5.189 -6.013 1.00 0.00 O ATOM 0 H TYR A 39 -1.567 0.636 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.041 -2.272 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.137 -0.674 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.667 -2.023 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.485 -3.483 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.455 -1.901 -3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.035 -5.025 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.907 -3.445 -5.038 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.131 -5.052 -6.337 1.00 0.00 H new ATOM 472 N HIS A 40 -0.317 -2.403 1.166 1.00 0.00 N ATOM 473 CA HIS A 40 0.250 -2.421 2.507 1.00 0.00 C ATOM 474 C HIS A 40 1.557 -3.207 2.512 1.00 0.00 C ATOM 475 O HIS A 40 1.572 -4.412 2.265 1.00 0.00 O ATOM 476 CB HIS A 40 -0.746 -3.008 3.515 1.00 0.00 C ATOM 477 CG HIS A 40 -0.856 -4.502 3.479 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.020 -5.354 2.440 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -0.812 -5.288 4.612 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.066 -6.624 2.959 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -0.941 -6.558 4.270 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.259 -3.294 0.673 1.00 0.00 H new ATOM 0 HA HIS A 40 0.461 -1.395 2.809 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.451 -2.702 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.730 -2.579 3.327 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.691 -4.922 5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.185 -7.531 2.386 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.943 -7.352 4.911 1.00 0.00 H new ATOM 490 N LEU A 41 2.657 -2.502 2.744 1.00 0.00 N ATOM 491 CA LEU A 41 3.976 -3.115 2.753 1.00 0.00 C ATOM 492 C LEU A 41 4.195 -3.911 4.032 1.00 0.00 C ATOM 493 O LEU A 41 3.960 -3.412 5.133 1.00 0.00 O ATOM 494 CB LEU A 41 5.051 -2.035 2.612 1.00 0.00 C ATOM 495 CG LEU A 41 6.490 -2.531 2.732 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.406 -1.732 1.816 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.959 -2.439 4.174 1.00 0.00 C ATOM 0 H LEU A 41 2.660 -1.499 2.929 1.00 0.00 H new ATOM 0 HA LEU A 41 4.045 -3.802 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.931 -1.549 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.881 -1.274 3.374 1.00 0.00 H new ATOM 0 HG LEU A 41 6.527 -3.576 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.428 -2.098 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.077 -1.846 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.370 -0.679 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.986 -2.796 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.911 -1.402 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.317 -3.053 4.805 1.00 0.00 H new ATOM 509 N ILE A 42 4.637 -5.156 3.882 1.00 0.00 N ATOM 510 CA ILE A 42 4.876 -6.020 5.032 1.00 0.00 C ATOM 511 C ILE A 42 6.367 -6.163 5.310 1.00 0.00 C ATOM 512 O ILE A 42 7.200 -5.962 4.424 1.00 0.00 O ATOM 513 CB ILE A 42 4.263 -7.423 4.842 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.978 -7.346 4.015 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.980 -8.053 6.194 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.957 -6.390 4.588 1.00 0.00 C ATOM 0 H ILE A 42 4.836 -5.587 2.979 1.00 0.00 H new ATOM 0 HA ILE A 42 4.390 -5.541 5.882 1.00 0.00 H new ATOM 0 HB ILE A 42 4.979 -8.043 4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.225 -7.037 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.537 -8.341 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.547 -9.043 6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.910 -8.141 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.279 -7.428 6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.070 -6.382 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.682 -6.710 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.381 -5.387 4.630 1.00 0.00 H new ATOM 528 N GLY A 43 6.694 -6.513 6.549 1.00 0.00 N ATOM 529 CA GLY A 43 8.084 -6.661 6.938 1.00 0.00 C ATOM 530 C GLY A 43 8.781 -5.322 7.080 1.00 0.00 C ATOM 531 O GLY A 43 8.181 -4.351 7.541 1.00 0.00 O ATOM 0 H GLY A 43 6.020 -6.697 7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.140 -7.201 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.606 -7.264 6.195 1.00 0.00 H new ATOM 535 N GLU A 44 10.045 -5.263 6.675 1.00 0.00 N ATOM 536 CA GLU A 44 10.809 -4.025 6.748 1.00 0.00 C ATOM 537 C GLU A 44 10.341 -3.044 5.682 1.00 0.00 C ATOM 538 O GLU A 44 9.356 -3.290 4.987 1.00 0.00 O ATOM 539 CB GLU A 44 12.298 -4.315 6.563 1.00 0.00 C ATOM 540 CG GLU A 44 12.585 -5.251 5.407 1.00 0.00 C ATOM 541 CD GLU A 44 13.215 -6.556 5.852 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.900 -6.558 6.897 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.023 -7.576 5.157 1.00 0.00 O ATOM 0 H GLU A 44 10.560 -6.056 6.294 1.00 0.00 H new ATOM 0 HA GLU A 44 10.649 -3.580 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.827 -3.376 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.694 -4.750 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.656 -5.463 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.249 -4.755 4.699 1.00 0.00 H new ATOM 550 N SER A 45 11.065 -1.940 5.550 1.00 0.00 N ATOM 551 CA SER A 45 10.738 -0.916 4.565 1.00 0.00 C ATOM 552 C SER A 45 11.880 0.082 4.433 1.00 0.00 C ATOM 553 O SER A 45 11.661 1.253 4.122 1.00 0.00 O ATOM 554 CB SER A 45 9.453 -0.187 4.965 1.00 0.00 C ATOM 555 OG SER A 45 8.669 0.125 3.828 1.00 0.00 O ATOM 0 H SER A 45 11.887 -1.730 6.116 1.00 0.00 H new ATOM 0 HA SER A 45 10.585 -1.403 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.876 -0.809 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.702 0.729 5.501 1.00 0.00 H new ATOM 0 HG SER A 45 8.845 1.049 3.552 1.00 0.00 H new ATOM 561 N LYS A 46 13.102 -0.389 4.660 1.00 0.00 N ATOM 562 CA LYS A 46 14.265 0.474 4.595 1.00 0.00 C ATOM 563 C LYS A 46 15.517 -0.306 4.201 1.00 0.00 C ATOM 564 O LYS A 46 15.860 -1.307 4.830 1.00 0.00 O ATOM 565 CB LYS A 46 14.469 1.142 5.950 1.00 0.00 C ATOM 566 CG LYS A 46 13.617 2.381 6.152 1.00 0.00 C ATOM 567 CD LYS A 46 14.192 3.291 7.226 1.00 0.00 C ATOM 568 CE LYS A 46 15.436 4.012 6.737 1.00 0.00 C ATOM 569 NZ LYS A 46 15.794 5.162 7.611 1.00 0.00 N ATOM 0 H LYS A 46 13.307 -1.361 4.890 1.00 0.00 H new ATOM 0 HA LYS A 46 14.093 1.231 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.242 0.423 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.519 1.412 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.543 2.929 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.605 2.085 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.441 4.022 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.435 2.703 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.270 3.311 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.273 4.367 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.648 5.626 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.009 5.844 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.975 4.821 8.577 1.00 0.00 H new ATOM 583 N SER A 47 16.191 0.163 3.156 1.00 0.00 N ATOM 584 CA SER A 47 17.420 -0.465 2.682 1.00 0.00 C ATOM 585 C SER A 47 18.621 0.201 3.326 1.00 0.00 C ATOM 586 O SER A 47 18.654 1.423 3.450 1.00 0.00 O ATOM 587 CB SER A 47 17.516 -0.340 1.159 1.00 0.00 C ATOM 588 OG SER A 47 17.598 -1.609 0.539 1.00 0.00 O ATOM 0 H SER A 47 15.905 0.981 2.618 1.00 0.00 H new ATOM 0 HA SER A 47 17.406 -1.520 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.645 0.195 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.393 0.252 0.896 1.00 0.00 H new ATOM 0 HG SER A 47 18.316 -2.130 0.955 1.00 0.00 H new ATOM 594 N TYR A 48 19.602 -0.587 3.755 1.00 0.00 N ATOM 595 CA TYR A 48 20.784 0.012 4.386 1.00 0.00 C ATOM 596 C TYR A 48 22.040 -0.211 3.558 1.00 0.00 C ATOM 597 O TYR A 48 22.421 -1.342 3.261 1.00 0.00 O ATOM 598 CB TYR A 48 20.984 -0.490 5.820 1.00 0.00 C ATOM 599 CG TYR A 48 19.694 -0.856 6.513 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.518 -2.106 7.089 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.652 0.056 6.590 1.00 0.00 C ATOM 602 CE1 TYR A 48 18.335 -2.440 7.720 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.466 -0.267 7.222 1.00 0.00 C ATOM 604 CZ TYR A 48 17.312 -1.517 7.785 1.00 0.00 C ATOM 605 OH TYR A 48 16.133 -1.844 8.415 1.00 0.00 O ATOM 0 H TYR A 48 19.611 -1.605 3.684 1.00 0.00 H new ATOM 0 HA TYR A 48 20.600 1.085 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.639 -1.361 5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 48 21.493 0.281 6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 48 20.319 -2.830 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.769 1.035 6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.212 -3.419 8.160 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.665 0.455 7.275 1.00 0.00 H new ATOM 0 HH TYR A 48 15.518 -1.082 8.373 1.00 0.00 H new ATOM 615 N CYS A 49 22.669 0.897 3.182 1.00 0.00 N ATOM 616 CA CYS A 49 23.881 0.864 2.378 1.00 0.00 C ATOM 617 C CYS A 49 25.064 0.372 3.198 1.00 0.00 C ATOM 618 O CYS A 49 25.467 1.008 4.171 1.00 0.00 O ATOM 619 CB CYS A 49 24.181 2.259 1.820 1.00 0.00 C ATOM 620 SG CYS A 49 25.798 2.404 0.990 1.00 0.00 S ATOM 0 H CYS A 49 22.354 1.836 3.425 1.00 0.00 H new ATOM 0 HA CYS A 49 23.722 0.171 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.397 2.531 1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.139 2.981 2.636 1.00 0.00 H new ATOM 625 N GLU A 50 25.627 -0.754 2.787 1.00 0.00 N ATOM 626 CA GLU A 50 26.774 -1.324 3.479 1.00 0.00 C ATOM 627 C GLU A 50 27.713 -2.018 2.501 1.00 0.00 C ATOM 628 O GLU A 50 27.473 -2.031 1.293 1.00 0.00 O ATOM 629 CB GLU A 50 26.310 -2.309 4.551 1.00 0.00 C ATOM 630 CG GLU A 50 26.399 -1.754 5.963 1.00 0.00 C ATOM 631 CD GLU A 50 25.410 -2.406 6.910 1.00 0.00 C ATOM 632 OE1 GLU A 50 25.353 -1.992 8.087 1.00 0.00 O ATOM 633 OE2 GLU A 50 24.693 -3.332 6.474 1.00 0.00 O ATOM 0 H GLU A 50 25.310 -1.291 1.980 1.00 0.00 H new ATOM 0 HA GLU A 50 27.320 -0.510 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.279 -2.597 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.913 -3.215 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.410 -1.899 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.219 -0.679 5.939 1.00 0.00 H new ATOM 640 N LEU A 51 28.789 -2.583 3.032 1.00 0.00 N ATOM 641 CA LEU A 51 29.775 -3.275 2.209 1.00 0.00 C ATOM 642 C LEU A 51 29.484 -4.774 2.154 1.00 0.00 C ATOM 643 O LEU A 51 29.056 -5.369 3.142 1.00 0.00 O ATOM 644 CB LEU A 51 31.191 -3.021 2.746 1.00 0.00 C ATOM 645 CG LEU A 51 31.647 -3.946 3.881 1.00 0.00 C ATOM 646 CD1 LEU A 51 32.487 -3.184 4.893 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.427 -5.123 3.321 1.00 0.00 C ATOM 0 H LEU A 51 29.002 -2.576 4.029 1.00 0.00 H new ATOM 0 HA LEU A 51 29.710 -2.881 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.896 -3.115 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.247 -1.991 3.097 1.00 0.00 H new ATOM 0 HG LEU A 51 30.762 -4.326 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.799 -3.860 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 51 33.368 -2.773 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.897 -2.372 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.744 -5.771 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.793 -5.686 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 51 33.304 -4.757 2.787 1.00 0.00 H new ATOM 659 N GLY A 52 29.721 -5.376 0.994 1.00 0.00 N ATOM 660 CA GLY A 52 29.484 -6.798 0.837 1.00 0.00 C ATOM 661 C GLY A 52 30.371 -7.633 1.737 1.00 0.00 C ATOM 662 O GLY A 52 30.403 -7.431 2.951 1.00 0.00 O ATOM 0 H GLY A 52 30.073 -4.905 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.439 -7.016 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.656 -7.080 -0.202 1.00 0.00 H new ATOM 666 N SER A 53 31.101 -8.569 1.140 1.00 0.00 N ATOM 667 CA SER A 53 31.990 -9.442 1.897 1.00 0.00 C ATOM 668 C SER A 53 33.425 -9.346 1.388 1.00 0.00 C ATOM 669 O SER A 53 34.376 -9.446 2.163 1.00 0.00 O ATOM 670 CB SER A 53 31.505 -10.890 1.810 1.00 0.00 C ATOM 671 OG SER A 53 32.198 -11.717 2.728 1.00 0.00 O ATOM 0 H SER A 53 31.094 -8.742 0.135 1.00 0.00 H new ATOM 0 HA SER A 53 31.974 -9.116 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 53 30.435 -10.931 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 53 31.650 -11.265 0.797 1.00 0.00 H new ATOM 0 HG SER A 53 31.868 -12.637 2.653 1.00 0.00 H new ATOM 677 N THR A 54 33.576 -9.149 0.081 1.00 0.00 N ATOM 678 CA THR A 54 34.895 -9.050 -0.530 1.00 0.00 C ATOM 679 C THR A 54 35.348 -7.598 -0.634 1.00 0.00 C ATOM 680 O THR A 54 36.173 -7.254 -1.482 1.00 0.00 O ATOM 681 CB THR A 54 34.879 -9.689 -1.918 1.00 0.00 C ATOM 682 OG1 THR A 54 33.629 -10.306 -2.172 1.00 0.00 O ATOM 683 CG2 THR A 54 35.953 -10.735 -2.099 1.00 0.00 C ATOM 0 H THR A 54 32.800 -9.055 -0.574 1.00 0.00 H new ATOM 0 HA THR A 54 35.602 -9.583 0.106 1.00 0.00 H new ATOM 0 HB THR A 54 35.063 -8.874 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 54 32.985 -9.630 -2.469 1.00 0.00 H new ATOM 0 HG21 THR A 54 35.890 -11.151 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 54 36.933 -10.279 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 54 35.813 -11.531 -1.367 1.00 0.00 H new ATOM 691 N GLY A 55 34.809 -6.751 0.234 1.00 0.00 N ATOM 692 CA GLY A 55 35.175 -5.347 0.225 1.00 0.00 C ATOM 693 C GLY A 55 34.373 -4.540 -0.778 1.00 0.00 C ATOM 694 O GLY A 55 34.771 -3.437 -1.155 1.00 0.00 O ATOM 0 H GLY A 55 34.125 -7.011 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.027 -4.931 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.236 -5.254 -0.005 1.00 0.00 H new ATOM 698 N SER A 56 33.240 -5.085 -1.210 1.00 0.00 N ATOM 699 CA SER A 56 32.385 -4.401 -2.173 1.00 0.00 C ATOM 700 C SER A 56 31.276 -3.626 -1.468 1.00 0.00 C ATOM 701 O SER A 56 31.368 -3.340 -0.274 1.00 0.00 O ATOM 702 CB SER A 56 31.779 -5.406 -3.155 1.00 0.00 C ATOM 703 OG SER A 56 31.546 -4.808 -4.418 1.00 0.00 O ATOM 0 H SER A 56 32.894 -5.996 -0.909 1.00 0.00 H new ATOM 0 HA SER A 56 33.001 -3.691 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.451 -6.257 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.842 -5.792 -2.753 1.00 0.00 H new ATOM 0 HG SER A 56 31.160 -5.471 -5.028 1.00 0.00 H new ATOM 709 N MET A 57 30.234 -3.282 -2.217 1.00 0.00 N ATOM 710 CA MET A 57 29.106 -2.545 -1.669 1.00 0.00 C ATOM 711 C MET A 57 27.820 -3.352 -1.807 1.00 0.00 C ATOM 712 O MET A 57 27.734 -4.267 -2.626 1.00 0.00 O ATOM 713 CB MET A 57 28.957 -1.197 -2.380 1.00 0.00 C ATOM 714 CG MET A 57 30.168 -0.291 -2.226 1.00 0.00 C ATOM 715 SD MET A 57 29.901 1.031 -1.029 1.00 0.00 S ATOM 716 CE MET A 57 31.160 0.648 0.186 1.00 0.00 C ATOM 0 H MET A 57 30.149 -3.504 -3.209 1.00 0.00 H new ATOM 0 HA MET A 57 29.294 -2.368 -0.610 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.778 -1.373 -3.441 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.078 -0.685 -1.989 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.026 -0.888 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 57 30.416 0.145 -3.194 1.00 0.00 H new ATOM 0 HE1 MET A 57 31.355 1.529 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 57 30.815 -0.167 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.077 0.349 -0.322 1.00 0.00 H new ATOM 726 N VAL A 58 26.827 -3.011 -0.998 1.00 0.00 N ATOM 727 CA VAL A 58 25.549 -3.710 -1.021 1.00 0.00 C ATOM 728 C VAL A 58 24.465 -2.900 -0.320 1.00 0.00 C ATOM 729 O VAL A 58 24.741 -1.863 0.282 1.00 0.00 O ATOM 730 CB VAL A 58 25.656 -5.088 -0.348 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.286 -6.099 -1.293 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.451 -4.982 0.940 1.00 0.00 C ATOM 0 H VAL A 58 26.881 -2.254 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 58 25.279 -3.842 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 58 24.652 -5.436 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.353 -7.068 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.672 -6.191 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.285 -5.764 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.520 -5.964 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.453 -4.614 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.952 -4.291 1.620 1.00 0.00 H new ATOM 742 N TRP A 59 23.231 -3.389 -0.392 1.00 0.00 N ATOM 743 CA TRP A 59 22.105 -2.713 0.238 1.00 0.00 C ATOM 744 C TRP A 59 21.300 -3.676 1.104 1.00 0.00 C ATOM 745 O TRP A 59 20.820 -4.704 0.626 1.00 0.00 O ATOM 746 CB TRP A 59 21.190 -2.103 -0.823 1.00 0.00 C ATOM 747 CG TRP A 59 21.684 -0.801 -1.375 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.403 -0.620 -2.520 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.469 0.503 -0.824 1.00 0.00 C ATOM 750 NE1 TRP A 59 22.654 0.717 -2.714 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.096 1.426 -1.682 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.818 0.982 0.317 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.085 2.797 -1.435 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.806 2.342 0.558 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.436 3.233 -0.313 1.00 0.00 C ATOM 0 H TRP A 59 22.987 -4.251 -0.880 1.00 0.00 H new ATOM 0 HA TRP A 59 22.506 -1.923 0.872 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.075 -2.813 -1.642 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.201 -1.951 -0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 59 22.728 -1.412 -3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.171 1.116 -3.497 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.332 0.300 0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 22.571 3.490 -2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.301 2.722 1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.410 4.291 -0.096 1.00 0.00 H new ATOM 766 N ASN A 60 21.121 -3.317 2.370 1.00 0.00 N ATOM 767 CA ASN A 60 20.330 -4.125 3.289 1.00 0.00 C ATOM 768 C ASN A 60 18.862 -4.061 2.893 1.00 0.00 C ATOM 769 O ASN A 60 18.498 -3.231 2.066 1.00 0.00 O ATOM 770 CB ASN A 60 20.517 -3.633 4.717 1.00 0.00 C ATOM 771 CG ASN A 60 21.478 -4.495 5.501 1.00 0.00 C ATOM 772 OD1 ASN A 60 21.276 -4.753 6.688 1.00 0.00 O ATOM 773 ND2 ASN A 60 22.519 -4.965 4.837 1.00 0.00 N ATOM 0 H ASN A 60 21.513 -2.471 2.783 1.00 0.00 H new ATOM 0 HA ASN A 60 20.666 -5.160 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.884 -2.607 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.551 -3.617 5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.194 -5.567 5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.647 -4.725 3.854 1.00 0.00 H new ATOM 780 N PRO A 61 18.021 -4.970 3.448 1.00 0.00 N ATOM 781 CA PRO A 61 16.588 -5.079 3.181 1.00 0.00 C ATOM 782 C PRO A 61 15.994 -3.905 2.411 1.00 0.00 C ATOM 783 O PRO A 61 15.720 -2.846 2.970 1.00 0.00 O ATOM 784 CB PRO A 61 16.047 -5.180 4.601 1.00 0.00 C ATOM 785 CG PRO A 61 17.127 -5.909 5.367 1.00 0.00 C ATOM 786 CD PRO A 61 18.369 -5.930 4.490 1.00 0.00 C ATOM 0 HA PRO A 61 16.336 -5.914 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.857 -4.194 5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.104 -5.726 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 61 17.333 -5.407 6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.809 -6.924 5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.261 -5.630 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.564 -6.922 4.082 1.00 0.00 H new ATOM 794 N GLU A 62 15.793 -4.123 1.113 1.00 0.00 N ATOM 795 CA GLU A 62 15.324 -3.075 0.213 1.00 0.00 C ATOM 796 C GLU A 62 13.839 -3.185 -0.113 1.00 0.00 C ATOM 797 O GLU A 62 13.059 -2.316 0.256 1.00 0.00 O ATOM 798 CB GLU A 62 16.116 -3.108 -1.103 1.00 0.00 C ATOM 799 CG GLU A 62 17.470 -3.802 -1.014 1.00 0.00 C ATOM 800 CD GLU A 62 18.492 -3.215 -1.967 1.00 0.00 C ATOM 801 OE1 GLU A 62 19.381 -3.966 -2.420 1.00 0.00 O ATOM 802 OE2 GLU A 62 18.406 -2.003 -2.257 1.00 0.00 O ATOM 0 H GLU A 62 15.949 -5.023 0.660 1.00 0.00 H new ATOM 0 HA GLU A 62 15.483 -2.134 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.515 -3.610 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.269 -2.084 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.846 -3.727 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.345 -4.863 -1.230 1.00 0.00 H new ATOM 809 N ALA A 63 13.483 -4.194 -0.902 1.00 0.00 N ATOM 810 CA ALA A 63 12.121 -4.361 -1.386 1.00 0.00 C ATOM 811 C ALA A 63 11.368 -5.447 -0.629 1.00 0.00 C ATOM 812 O ALA A 63 11.162 -6.547 -1.141 1.00 0.00 O ATOM 813 CB ALA A 63 12.131 -4.675 -2.873 1.00 0.00 C ATOM 0 H ALA A 63 14.129 -4.915 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 63 11.597 -3.421 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.107 -4.798 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.605 -3.857 -3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.688 -5.596 -3.047 1.00 0.00 H new ATOM 819 N PRO A 64 10.917 -5.134 0.591 1.00 0.00 N ATOM 820 CA PRO A 64 10.101 -6.046 1.408 1.00 0.00 C ATOM 821 C PRO A 64 8.846 -6.506 0.663 1.00 0.00 C ATOM 822 O PRO A 64 8.814 -6.512 -0.567 1.00 0.00 O ATOM 823 CB PRO A 64 9.727 -5.171 2.614 1.00 0.00 C ATOM 824 CG PRO A 64 9.884 -3.788 2.109 1.00 0.00 C ATOM 825 CD PRO A 64 11.088 -3.832 1.249 1.00 0.00 C ATOM 0 HA PRO A 64 10.626 -6.963 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.707 -5.362 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.380 -5.363 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.007 -3.471 1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.009 -3.080 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.114 -3.009 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.010 -3.781 1.828 1.00 0.00 H new ATOM 833 N ILE A 65 7.807 -6.872 1.408 1.00 0.00 N ATOM 834 CA ILE A 65 6.558 -7.326 0.807 1.00 0.00 C ATOM 835 C ILE A 65 5.634 -6.153 0.498 1.00 0.00 C ATOM 836 O ILE A 65 5.835 -5.043 0.988 1.00 0.00 O ATOM 837 CB ILE A 65 5.809 -8.303 1.728 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.793 -9.229 2.442 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.793 -9.111 0.942 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.598 -10.099 1.504 1.00 0.00 C ATOM 0 H ILE A 65 7.806 -6.863 2.428 1.00 0.00 H new ATOM 0 HA ILE A 65 6.829 -7.835 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 65 5.275 -7.721 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.476 -8.627 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.242 -9.867 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.275 -9.796 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.070 -8.438 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.303 -9.681 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.274 -10.729 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.924 -10.728 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.177 -9.468 0.830 1.00 0.00 H new ATOM 852 N CYS A 66 4.605 -6.421 -0.296 1.00 0.00 N ATOM 853 CA CYS A 66 3.627 -5.405 -0.658 1.00 0.00 C ATOM 854 C CYS A 66 2.381 -6.045 -1.264 1.00 0.00 C ATOM 855 O CYS A 66 2.469 -6.812 -2.223 1.00 0.00 O ATOM 856 CB CYS A 66 4.231 -4.413 -1.648 1.00 0.00 C ATOM 857 SG CYS A 66 4.806 -2.860 -0.888 1.00 0.00 S ATOM 0 H CYS A 66 4.426 -7.339 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 66 3.341 -4.873 0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.070 -4.889 -2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.488 -4.179 -2.410 1.00 0.00 H new ATOM 862 N GLU A 67 1.222 -5.725 -0.698 1.00 0.00 N ATOM 863 CA GLU A 67 -0.040 -6.270 -1.181 1.00 0.00 C ATOM 864 C GLU A 67 -1.146 -5.221 -1.118 1.00 0.00 C ATOM 865 O GLU A 67 -0.959 -4.140 -0.560 1.00 0.00 O ATOM 866 CB GLU A 67 -0.435 -7.496 -0.355 1.00 0.00 C ATOM 867 CG GLU A 67 -0.521 -8.778 -1.168 1.00 0.00 C ATOM 868 CD GLU A 67 0.736 -9.620 -1.065 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.186 -9.878 0.071 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.270 -10.021 -2.120 1.00 0.00 O ATOM 0 H GLU A 67 1.131 -5.091 0.096 1.00 0.00 H new ATOM 0 HA GLU A 67 0.093 -6.567 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.291 -7.632 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.400 -7.310 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.375 -9.363 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.702 -8.529 -2.214 1.00 0.00 H new ATOM 877 N SER A 68 -2.300 -5.551 -1.691 1.00 0.00 N ATOM 878 CA SER A 68 -3.438 -4.639 -1.712 1.00 0.00 C ATOM 879 C SER A 68 -4.261 -4.741 -0.433 1.00 0.00 C ATOM 880 O SER A 68 -4.833 -5.789 -0.129 1.00 0.00 O ATOM 881 CB SER A 68 -4.329 -4.937 -2.920 1.00 0.00 C ATOM 882 OG SER A 68 -4.939 -6.211 -2.802 1.00 0.00 O ATOM 0 H SER A 68 -2.471 -6.447 -2.148 1.00 0.00 H new ATOM 0 HA SER A 68 -3.047 -3.624 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.098 -4.169 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.734 -4.898 -3.833 1.00 0.00 H new ATOM 0 HG SER A 68 -5.057 -6.431 -1.854 1.00 0.00 H new ATOM 888 N VAL A 69 -4.340 -3.634 0.295 1.00 0.00 N ATOM 889 CA VAL A 69 -5.113 -3.577 1.531 1.00 0.00 C ATOM 890 C VAL A 69 -6.520 -4.124 1.322 1.00 0.00 C ATOM 891 O VAL A 69 -7.402 -3.424 0.824 1.00 0.00 O ATOM 892 CB VAL A 69 -5.219 -2.139 2.080 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.285 -1.130 0.946 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.055 -1.830 3.005 1.00 0.00 C ATOM 0 H VAL A 69 -3.876 -2.759 0.050 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.580 -4.193 2.256 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.142 -2.064 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.359 -0.124 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.384 -1.207 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.159 -1.334 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.149 -0.811 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.061 -2.528 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.118 -1.929 2.457 1.00 0.00 H new ATOM 904 N LYS A 70 -6.723 -5.374 1.712 1.00 0.00 N ATOM 905 CA LYS A 70 -8.022 -6.022 1.568 1.00 0.00 C ATOM 906 C LYS A 70 -9.088 -5.312 2.399 1.00 0.00 C ATOM 907 O LYS A 70 -8.841 -4.913 3.536 1.00 0.00 O ATOM 908 CB LYS A 70 -7.929 -7.491 1.987 1.00 0.00 C ATOM 909 CG LYS A 70 -7.697 -8.442 0.824 1.00 0.00 C ATOM 910 CD LYS A 70 -8.984 -9.137 0.408 1.00 0.00 C ATOM 911 CE LYS A 70 -8.733 -10.164 -0.683 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.470 -11.519 -0.123 1.00 0.00 N ATOM 0 H LYS A 70 -6.004 -5.963 2.132 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.312 -5.964 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.117 -7.604 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.849 -7.773 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.290 -7.890 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.954 -9.188 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.431 -9.626 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.701 -8.396 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.597 -10.207 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.882 -9.850 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.304 -12.190 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.630 -11.484 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.292 -11.830 0.433 1.00 0.00 H new ATOM 926 N CYS A 71 -10.278 -5.166 1.822 1.00 0.00 N ATOM 927 CA CYS A 71 -11.392 -4.513 2.507 1.00 0.00 C ATOM 928 C CYS A 71 -12.597 -5.441 2.577 1.00 0.00 C ATOM 929 O CYS A 71 -13.051 -5.967 1.561 1.00 0.00 O ATOM 930 CB CYS A 71 -11.796 -3.199 1.815 1.00 0.00 C ATOM 931 SG CYS A 71 -10.670 -2.620 0.497 1.00 0.00 S ATOM 0 H CYS A 71 -10.497 -5.491 0.880 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.054 -4.279 3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.791 -3.325 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.871 -2.419 2.572 1.00 0.00 H new ATOM 936 N GLN A 72 -13.109 -5.635 3.785 1.00 0.00 N ATOM 937 CA GLN A 72 -14.267 -6.488 3.999 1.00 0.00 C ATOM 938 C GLN A 72 -15.536 -5.802 3.532 1.00 0.00 C ATOM 939 O GLN A 72 -15.490 -4.774 2.856 1.00 0.00 O ATOM 940 CB GLN A 72 -14.378 -6.862 5.479 1.00 0.00 C ATOM 941 CG GLN A 72 -14.846 -5.723 6.373 1.00 0.00 C ATOM 942 CD GLN A 72 -13.732 -4.754 6.715 1.00 0.00 C ATOM 943 OE1 GLN A 72 -12.824 -5.079 7.480 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.795 -3.555 6.147 1.00 0.00 N ATOM 0 H GLN A 72 -12.737 -5.210 4.635 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.138 -7.398 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.070 -7.698 5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.406 -7.209 5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.652 -5.183 5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.259 -6.135 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.566 -3.328 5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.072 -2.861 6.339 1.00 0.00 H new ATOM 953 N SER A 73 -16.671 -6.384 3.891 1.00 0.00 N ATOM 954 CA SER A 73 -17.961 -5.854 3.541 1.00 0.00 C ATOM 955 C SER A 73 -18.004 -4.329 3.683 1.00 0.00 C ATOM 956 O SER A 73 -17.527 -3.780 4.676 1.00 0.00 O ATOM 957 CB SER A 73 -18.989 -6.503 4.452 1.00 0.00 C ATOM 958 OG SER A 73 -18.373 -7.272 5.473 1.00 0.00 O ATOM 0 H SER A 73 -16.712 -7.244 4.438 1.00 0.00 H new ATOM 0 HA SER A 73 -18.176 -6.077 2.496 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.614 -5.732 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.647 -7.141 3.862 1.00 0.00 H new ATOM 0 HG SER A 73 -19.063 -7.674 6.041 1.00 0.00 H new ATOM 964 N PRO A 74 -18.544 -3.622 2.676 1.00 0.00 N ATOM 965 CA PRO A 74 -18.612 -2.157 2.693 1.00 0.00 C ATOM 966 C PRO A 74 -19.371 -1.624 3.906 1.00 0.00 C ATOM 967 O PRO A 74 -20.104 -2.361 4.565 1.00 0.00 O ATOM 968 CB PRO A 74 -19.352 -1.807 1.399 1.00 0.00 C ATOM 969 CG PRO A 74 -19.200 -3.006 0.526 1.00 0.00 C ATOM 970 CD PRO A 74 -19.126 -4.188 1.447 1.00 0.00 C ATOM 0 HA PRO A 74 -17.620 -1.710 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.403 -1.591 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.926 -0.921 0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.043 -3.098 -0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.300 -2.931 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.111 -4.619 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.502 -4.981 1.035 1.00 0.00 H new ATOM 978 N PRO A 75 -19.200 -0.327 4.218 1.00 0.00 N ATOM 979 CA PRO A 75 -19.857 0.308 5.359 1.00 0.00 C ATOM 980 C PRO A 75 -21.307 -0.120 5.528 1.00 0.00 C ATOM 981 O PRO A 75 -21.940 -0.605 4.591 1.00 0.00 O ATOM 982 CB PRO A 75 -19.784 1.789 5.010 1.00 0.00 C ATOM 983 CG PRO A 75 -18.526 1.926 4.223 1.00 0.00 C ATOM 984 CD PRO A 75 -18.334 0.621 3.490 1.00 0.00 C ATOM 0 HA PRO A 75 -19.379 0.039 6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.651 2.103 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.760 2.407 5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.596 2.758 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.679 2.131 4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.625 0.705 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.291 0.303 3.507 1.00 0.00 H new ATOM 992 N SER A 76 -21.831 0.085 6.730 1.00 0.00 N ATOM 993 CA SER A 76 -23.210 -0.262 7.036 1.00 0.00 C ATOM 994 C SER A 76 -24.052 0.995 7.221 1.00 0.00 C ATOM 995 O SER A 76 -24.180 1.511 8.331 1.00 0.00 O ATOM 996 CB SER A 76 -23.265 -1.123 8.297 1.00 0.00 C ATOM 997 OG SER A 76 -21.988 -1.652 8.610 1.00 0.00 O ATOM 0 H SER A 76 -21.317 0.492 7.512 1.00 0.00 H new ATOM 0 HA SER A 76 -23.618 -0.830 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 76 -23.630 -0.526 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.975 -1.938 8.154 1.00 0.00 H new ATOM 0 HG SER A 76 -22.050 -2.198 9.422 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.626 1.480 6.127 1.00 0.00 N ATOM 1004 CA ILE A 77 -25.440 2.689 6.163 1.00 0.00 C ATOM 1005 C ILE A 77 -26.747 2.457 6.909 1.00 0.00 C ATOM 1006 O ILE A 77 -27.079 1.327 7.268 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.761 3.194 4.744 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.607 2.165 3.988 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.478 3.492 3.988 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.344 2.744 2.800 1.00 0.00 C ATOM 0 H ILE A 77 -24.543 1.055 5.204 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.854 3.443 6.689 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.336 4.116 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.961 1.357 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.330 1.726 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.720 3.848 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.913 4.258 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.879 2.584 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.922 1.959 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.016 3.533 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.625 3.158 2.092 1.00 0.00 H new ATOM 1022 N SER A 78 -27.483 3.537 7.140 1.00 0.00 N ATOM 1023 CA SER A 78 -28.760 3.458 7.837 1.00 0.00 C ATOM 1024 C SER A 78 -29.894 3.202 6.855 1.00 0.00 C ATOM 1025 O SER A 78 -29.900 3.738 5.748 1.00 0.00 O ATOM 1026 CB SER A 78 -29.023 4.751 8.611 1.00 0.00 C ATOM 1027 OG SER A 78 -27.855 5.190 9.283 1.00 0.00 O ATOM 0 H SER A 78 -27.217 4.479 6.854 1.00 0.00 H new ATOM 0 HA SER A 78 -28.714 2.626 8.540 1.00 0.00 H new ATOM 0 HB2 SER A 78 -29.365 5.526 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.823 4.590 9.333 1.00 0.00 H new ATOM 0 HG SER A 78 -28.049 6.019 9.769 1.00 0.00 H new ATOM 1033 N ASN A 79 -30.849 2.376 7.263 1.00 0.00 N ATOM 1034 CA ASN A 79 -31.986 2.051 6.416 1.00 0.00 C ATOM 1035 C ASN A 79 -31.525 1.461 5.089 1.00 0.00 C ATOM 1036 O ASN A 79 -32.195 1.607 4.066 1.00 0.00 O ATOM 1037 CB ASN A 79 -32.830 3.302 6.165 1.00 0.00 C ATOM 1038 CG ASN A 79 -32.961 4.170 7.398 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -33.611 3.792 8.373 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -32.349 5.345 7.358 1.00 0.00 N ATOM 0 H ASN A 79 -30.858 1.920 8.175 1.00 0.00 H new ATOM 0 HA ASN A 79 -32.592 1.306 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -32.380 3.884 5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -33.823 3.005 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -32.406 5.977 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.821 5.617 6.529 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.378 0.791 5.114 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.847 0.189 3.905 1.00 0.00 C ATOM 1049 C GLY A 80 -28.674 -0.734 4.174 1.00 0.00 C ATOM 1050 O GLY A 80 -28.352 -1.023 5.327 1.00 0.00 O ATOM 0 H GLY A 80 -29.807 0.654 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.638 -0.372 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.534 0.977 3.220 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.039 -1.200 3.103 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.894 -2.093 3.214 1.00 0.00 C ATOM 1056 C ARG A 81 -26.171 -2.205 1.879 1.00 0.00 C ATOM 1057 O ARG A 81 -26.518 -1.526 0.913 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.334 -3.478 3.691 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.705 -3.902 3.191 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.292 -5.000 4.063 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.621 -5.408 3.616 1.00 0.00 N ATOM 1062 CZ ARG A 81 -31.389 -6.265 4.282 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.960 -6.799 5.417 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -32.586 -6.589 3.813 1.00 0.00 N ATOM 0 H ARG A 81 -28.301 -0.972 2.144 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.207 -1.674 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.598 -4.213 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.337 -3.491 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.375 -3.042 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.627 -4.253 2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.627 -5.863 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -29.348 -4.652 5.094 1.00 0.00 H new ATOM 0 HE ARG A 81 -30.979 -5.014 2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -30.039 -6.553 5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -31.550 -7.456 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -32.919 -6.181 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -33.174 -7.247 4.325 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.163 -3.063 1.835 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.375 -3.251 0.624 1.00 0.00 C ATOM 1080 C HIS A 82 -24.645 -4.606 -0.017 1.00 0.00 C ATOM 1081 O HIS A 82 -25.250 -5.488 0.592 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.886 -3.128 0.938 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.458 -3.964 2.103 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.337 -5.337 2.040 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.141 -3.619 3.373 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -21.955 -5.797 3.217 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.829 -4.775 4.042 1.00 0.00 N ATOM 0 H HIS A 82 -24.871 -3.641 2.623 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.669 -2.473 -0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.311 -3.419 0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.649 -2.084 1.142 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.515 -5.907 1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.135 -2.620 3.783 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.776 -6.833 3.463 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.169 -4.764 -1.246 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.319 -6.016 -1.975 1.00 0.00 C ATOM 1098 C ASN A 83 -22.950 -6.551 -2.384 1.00 0.00 C ATOM 1099 O ASN A 83 -21.934 -6.191 -1.789 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.206 -5.812 -3.208 1.00 0.00 C ATOM 1101 CG ASN A 83 -24.521 -5.009 -4.297 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -23.376 -4.583 -4.145 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -25.223 -4.793 -5.403 1.00 0.00 N ATOM 0 H ASN A 83 -23.673 -4.036 -1.760 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.799 -6.747 -1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -25.495 -6.784 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -26.123 -5.304 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.816 -4.256 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.169 -5.165 -5.487 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.920 -7.399 -3.405 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.659 -7.945 -3.865 1.00 0.00 C ATOM 1112 C GLY A 84 -21.723 -9.436 -4.117 1.00 0.00 C ATOM 1113 O GLY A 84 -22.738 -10.078 -3.848 1.00 0.00 O ATOM 0 H GLY A 84 -23.742 -7.716 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.362 -7.438 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.887 -7.739 -3.124 1.00 0.00 H new ATOM 1117 N TYR A 85 -20.631 -9.987 -4.632 1.00 0.00 N ATOM 1118 CA TYR A 85 -20.557 -11.415 -4.924 1.00 0.00 C ATOM 1119 C TYR A 85 -19.569 -12.105 -3.994 1.00 0.00 C ATOM 1120 O TYR A 85 -19.692 -13.296 -3.708 1.00 0.00 O ATOM 1121 CB TYR A 85 -20.147 -11.664 -6.385 1.00 0.00 C ATOM 1122 CG TYR A 85 -20.270 -10.455 -7.290 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -21.481 -9.790 -7.432 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -19.174 -9.980 -7.998 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -21.597 -8.686 -8.256 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -19.281 -8.877 -8.824 1.00 0.00 C ATOM 1127 CZ TYR A 85 -20.494 -8.234 -8.949 1.00 0.00 C ATOM 1128 OH TYR A 85 -20.605 -7.135 -9.770 1.00 0.00 O ATOM 0 H TYR A 85 -19.783 -9.467 -4.857 1.00 0.00 H new ATOM 0 HA TYR A 85 -21.551 -11.832 -4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -19.114 -12.012 -6.404 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -20.762 -12.468 -6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -22.346 -10.141 -6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.222 -10.481 -7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.546 -8.181 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.419 -8.521 -9.369 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.737 -6.947 -10.184 1.00 0.00 H new ATOM 1138 N GLU A 86 -18.589 -11.345 -3.524 1.00 0.00 N ATOM 1139 CA GLU A 86 -17.562 -11.874 -2.643 1.00 0.00 C ATOM 1140 C GLU A 86 -17.812 -11.472 -1.196 1.00 0.00 C ATOM 1141 O GLU A 86 -18.821 -10.842 -0.877 1.00 0.00 O ATOM 1142 CB GLU A 86 -16.192 -11.364 -3.086 1.00 0.00 C ATOM 1143 CG GLU A 86 -15.464 -12.312 -4.021 1.00 0.00 C ATOM 1144 CD GLU A 86 -14.125 -12.763 -3.469 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -13.120 -12.058 -3.700 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -14.083 -13.820 -2.806 1.00 0.00 O ATOM 0 H GLU A 86 -18.485 -10.354 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.591 -12.962 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.315 -10.401 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.575 -11.192 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.089 -13.185 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.310 -11.821 -4.982 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.877 -11.835 -0.327 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.966 -11.495 1.087 1.00 0.00 C ATOM 1155 C ASP A 87 -15.954 -10.411 1.440 1.00 0.00 C ATOM 1156 O ASP A 87 -16.144 -9.652 2.390 1.00 0.00 O ATOM 1157 CB ASP A 87 -16.730 -12.734 1.949 1.00 0.00 C ATOM 1158 CG ASP A 87 -17.948 -13.110 2.770 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -17.808 -13.271 4.000 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -19.041 -13.244 2.181 1.00 0.00 O ATOM 0 H ASP A 87 -16.044 -12.368 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.968 -11.115 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.455 -13.572 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -15.887 -12.553 2.616 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.881 -10.344 0.659 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.841 -9.347 0.865 1.00 0.00 C ATOM 1167 C PHE A 88 -13.608 -8.549 -0.412 1.00 0.00 C ATOM 1168 O PHE A 88 -14.247 -8.796 -1.434 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.541 -10.017 1.312 1.00 0.00 C ATOM 1170 CG PHE A 88 -12.376 -10.067 2.798 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -13.208 -10.855 3.574 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.389 -9.325 3.418 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -13.057 -10.902 4.944 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.231 -9.367 4.788 1.00 0.00 C ATOM 1175 CZ PHE A 88 -12.067 -10.157 5.554 1.00 0.00 C ATOM 0 H PHE A 88 -14.710 -10.973 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 88 -14.170 -8.664 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.510 -11.032 0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.697 -9.480 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.984 -11.439 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.734 -8.705 2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.712 -11.521 5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.455 -8.783 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.946 -10.192 6.627 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.694 -7.588 -0.349 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.395 -6.747 -1.500 1.00 0.00 C ATOM 1187 C TYR A 89 -10.967 -6.212 -1.425 1.00 0.00 C ATOM 1188 O TYR A 89 -10.300 -6.349 -0.402 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.396 -5.592 -1.570 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.831 -6.043 -1.738 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.420 -6.096 -2.995 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.595 -6.420 -0.640 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.731 -6.506 -3.152 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.907 -6.826 -0.788 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.471 -6.869 -2.046 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.776 -7.279 -2.199 1.00 0.00 O ATOM 0 H TYR A 89 -12.148 -7.373 0.485 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.481 -7.349 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.315 -4.997 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.129 -4.941 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.844 -5.812 -3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.155 -6.395 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.174 -6.542 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.488 -7.108 0.077 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.154 -7.500 -1.322 1.00 0.00 H new ATOM 1206 N THR A 90 -10.495 -5.619 -2.519 1.00 0.00 N ATOM 1207 CA THR A 90 -9.136 -5.088 -2.569 1.00 0.00 C ATOM 1208 C THR A 90 -9.112 -3.661 -3.109 1.00 0.00 C ATOM 1209 O THR A 90 -10.151 -3.096 -3.450 1.00 0.00 O ATOM 1210 CB THR A 90 -8.249 -5.983 -3.436 1.00 0.00 C ATOM 1211 OG1 THR A 90 -8.915 -6.338 -4.635 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.833 -7.262 -2.744 1.00 0.00 C ATOM 0 H THR A 90 -11.030 -5.495 -3.378 1.00 0.00 H new ATOM 0 HA THR A 90 -8.750 -5.072 -1.550 1.00 0.00 H new ATOM 0 HB THR A 90 -7.355 -5.394 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.331 -6.909 -5.177 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.206 -7.851 -3.414 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.273 -7.021 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.720 -7.837 -2.479 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.915 -3.087 -3.186 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.747 -1.728 -3.680 1.00 0.00 C ATOM 1222 C ASP A 91 -8.166 -1.620 -5.134 1.00 0.00 C ATOM 1223 O ASP A 91 -7.386 -1.890 -6.047 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.298 -1.273 -3.523 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.334 -2.108 -4.344 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.741 -3.187 -4.822 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -4.172 -1.680 -4.512 1.00 0.00 O ATOM 0 H ASP A 91 -7.046 -3.545 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.389 -1.078 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.214 -0.228 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.016 -1.327 -2.472 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.407 -1.217 -5.333 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.929 -1.052 -6.673 1.00 0.00 C ATOM 1234 C GLY A 92 -11.182 -1.869 -6.922 1.00 0.00 C ATOM 1235 O GLY A 92 -11.461 -2.255 -8.057 1.00 0.00 O ATOM 0 H GLY A 92 -10.068 -0.999 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.148 0.002 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.164 -1.340 -7.394 1.00 0.00 H new ATOM 1239 N SER A 93 -11.941 -2.131 -5.863 1.00 0.00 N ATOM 1240 CA SER A 93 -13.180 -2.890 -5.983 1.00 0.00 C ATOM 1241 C SER A 93 -14.384 -1.974 -5.811 1.00 0.00 C ATOM 1242 O SER A 93 -14.264 -0.874 -5.273 1.00 0.00 O ATOM 1243 CB SER A 93 -13.223 -4.011 -4.942 1.00 0.00 C ATOM 1244 OG SER A 93 -11.919 -4.369 -4.520 1.00 0.00 O ATOM 0 H SER A 93 -11.720 -1.830 -4.914 1.00 0.00 H new ATOM 0 HA SER A 93 -13.215 -3.333 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.811 -3.690 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.724 -4.883 -5.363 1.00 0.00 H new ATOM 0 HG SER A 93 -11.593 -3.712 -3.870 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.544 -2.425 -6.275 1.00 0.00 N ATOM 1251 CA VAL A 94 -16.757 -1.629 -6.170 1.00 0.00 C ATOM 1252 C VAL A 94 -17.930 -2.466 -5.671 1.00 0.00 C ATOM 1253 O VAL A 94 -17.951 -3.688 -5.823 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.123 -0.983 -7.523 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.011 -0.052 -7.978 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.445 -0.231 -7.430 1.00 0.00 C ATOM 0 H VAL A 94 -15.668 -3.332 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.556 -0.840 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.240 -1.777 -8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.281 0.398 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.867 0.733 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.086 -0.618 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.679 0.214 -8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.238 -0.923 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.365 0.555 -6.679 1.00 0.00 H new ATOM 1266 N VAL A 95 -18.904 -1.788 -5.078 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.096 -2.443 -4.558 1.00 0.00 C ATOM 1268 C VAL A 95 -21.296 -1.512 -4.653 1.00 0.00 C ATOM 1269 O VAL A 95 -21.154 -0.292 -4.570 1.00 0.00 O ATOM 1270 CB VAL A 95 -19.908 -2.877 -3.093 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.064 -3.747 -2.633 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.588 -3.608 -2.918 1.00 0.00 C ATOM 0 H VAL A 95 -18.891 -0.777 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.269 -3.332 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.891 -1.980 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.908 -4.041 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.996 -3.187 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.120 -4.638 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.473 -3.907 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.576 -4.494 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.767 -2.949 -3.199 1.00 0.00 H new ATOM 1282 N THR A 96 -22.474 -2.088 -4.845 1.00 0.00 N ATOM 1283 CA THR A 96 -23.690 -1.296 -4.966 1.00 0.00 C ATOM 1284 C THR A 96 -24.566 -1.445 -3.732 1.00 0.00 C ATOM 1285 O THR A 96 -25.009 -2.542 -3.394 1.00 0.00 O ATOM 1286 CB THR A 96 -24.465 -1.700 -6.220 1.00 0.00 C ATOM 1287 OG1 THR A 96 -23.883 -2.844 -6.820 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.515 -0.608 -7.264 1.00 0.00 C ATOM 0 H THR A 96 -22.614 -3.096 -4.920 1.00 0.00 H new ATOM 0 HA THR A 96 -23.403 -0.248 -5.052 1.00 0.00 H new ATOM 0 HB THR A 96 -25.481 -1.906 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 96 -24.429 -3.127 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 96 -25.079 -0.957 -8.129 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.001 0.273 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.501 -0.352 -7.571 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.811 -0.325 -3.066 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.606 -0.314 -1.847 1.00 0.00 C ATOM 1298 C TYR A 97 -27.095 -0.429 -2.143 1.00 0.00 C ATOM 1299 O TYR A 97 -27.533 -0.249 -3.280 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.320 0.957 -1.052 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.123 0.828 -0.150 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -24.154 1.302 1.153 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -22.959 0.226 -0.606 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -23.053 1.183 1.979 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -21.855 0.102 0.211 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.907 0.581 1.504 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.809 0.460 2.323 1.00 0.00 O ATOM 0 H TYR A 97 -24.468 0.592 -3.352 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.323 -1.184 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.159 1.784 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.195 1.209 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -25.052 1.771 1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -22.917 -0.152 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -23.090 1.559 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -20.955 -0.367 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.050 -0.059 3.118 1.00 0.00 H new ATOM 1317 N SER A 98 -27.870 -0.746 -1.111 1.00 0.00 N ATOM 1318 CA SER A 98 -29.314 -0.903 -1.265 1.00 0.00 C ATOM 1319 C SER A 98 -30.050 -0.665 0.050 1.00 0.00 C ATOM 1320 O SER A 98 -29.655 -1.179 1.097 1.00 0.00 O ATOM 1321 CB SER A 98 -29.637 -2.303 -1.789 1.00 0.00 C ATOM 1322 OG SER A 98 -28.557 -2.828 -2.542 1.00 0.00 O ATOM 0 H SER A 98 -27.526 -0.899 -0.163 1.00 0.00 H new ATOM 0 HA SER A 98 -29.652 -0.155 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.857 -2.966 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.532 -2.265 -2.410 1.00 0.00 H new ATOM 0 HG SER A 98 -28.788 -3.724 -2.864 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.144 0.092 -0.018 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.954 0.379 1.160 1.00 0.00 C ATOM 1330 C CYS A 99 -32.687 -0.874 1.631 1.00 0.00 C ATOM 1331 O CYS A 99 -32.906 -1.804 0.856 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.963 1.485 0.852 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.211 3.026 0.235 1.00 0.00 S ATOM 0 H CYS A 99 -31.488 0.517 -0.879 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.289 0.713 1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.674 1.118 0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.530 1.707 1.756 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.071 -0.889 2.904 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.767 -2.033 3.479 1.00 0.00 C ATOM 1340 C ASN A 100 -35.274 -1.948 3.239 1.00 0.00 C ATOM 1341 O ASN A 100 -35.812 -2.644 2.379 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.478 -2.125 4.979 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.001 -2.285 5.270 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.350 -3.196 4.757 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.464 -1.399 6.097 1.00 0.00 N ATOM 0 H ASN A 100 -32.911 -0.121 3.556 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.399 -2.932 2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.849 -1.227 5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -34.023 -2.970 5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.473 -1.456 6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.042 -0.661 6.499 1.00 0.00 H new ATOM 1352 N SER A 101 -35.951 -1.101 4.010 1.00 0.00 N ATOM 1353 CA SER A 101 -37.397 -0.943 3.884 1.00 0.00 C ATOM 1354 C SER A 101 -37.782 -0.498 2.478 1.00 0.00 C ATOM 1355 O SER A 101 -38.893 -0.758 2.016 1.00 0.00 O ATOM 1356 CB SER A 101 -37.912 0.071 4.908 1.00 0.00 C ATOM 1357 OG SER A 101 -39.266 0.406 4.659 1.00 0.00 O ATOM 0 H SER A 101 -35.523 -0.515 4.727 1.00 0.00 H new ATOM 0 HA SER A 101 -37.857 -1.913 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.815 -0.341 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.299 0.972 4.872 1.00 0.00 H new ATOM 0 HG SER A 101 -39.571 1.054 5.328 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.860 0.179 1.804 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.125 0.655 0.459 1.00 0.00 C ATOM 1365 C GLY A 102 -36.917 2.150 0.324 1.00 0.00 C ATOM 1366 O GLY A 102 -37.636 2.820 -0.418 1.00 0.00 O ATOM 0 H GLY A 102 -35.934 0.407 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.472 0.135 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.150 0.407 0.184 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.923 2.673 1.034 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.616 4.091 0.992 1.00 0.00 C ATOM 1372 C TYR A 103 -35.037 4.474 -0.362 1.00 0.00 C ATOM 1373 O TYR A 103 -34.995 3.660 -1.284 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.623 4.441 2.105 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.289 4.817 3.411 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.625 3.846 4.346 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -35.591 6.143 3.705 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -36.238 4.184 5.538 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.203 6.489 4.895 1.00 0.00 C ATOM 1380 CZ TYR A 103 -36.524 5.506 5.807 1.00 0.00 C ATOM 1381 OH TYR A 103 -37.133 5.846 6.993 1.00 0.00 O ATOM 0 H TYR A 103 -35.316 2.130 1.647 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.538 4.652 1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.964 3.589 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.996 5.269 1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.404 2.810 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.343 6.915 2.991 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.492 3.417 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -36.428 7.523 5.109 1.00 0.00 H new ATOM 0 HH TYR A 103 -37.263 6.817 7.027 1.00 0.00 H new ATOM 1391 N SER A 104 -34.603 5.720 -0.478 1.00 0.00 N ATOM 1392 CA SER A 104 -34.009 6.209 -1.715 1.00 0.00 C ATOM 1393 C SER A 104 -32.528 6.486 -1.512 1.00 0.00 C ATOM 1394 O SER A 104 -32.150 7.525 -0.971 1.00 0.00 O ATOM 1395 CB SER A 104 -34.719 7.477 -2.188 1.00 0.00 C ATOM 1396 OG SER A 104 -36.114 7.402 -1.951 1.00 0.00 O ATOM 0 H SER A 104 -34.651 6.412 0.270 1.00 0.00 H new ATOM 0 HA SER A 104 -34.125 5.441 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.306 8.343 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.536 7.624 -3.252 1.00 0.00 H new ATOM 0 HG SER A 104 -36.543 8.226 -2.261 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.692 5.548 -1.941 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.262 5.666 -1.762 1.00 0.00 C ATOM 1404 C LEU A 105 -29.755 7.031 -2.186 1.00 0.00 C ATOM 1405 O LEU A 105 -30.252 7.641 -3.133 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.522 4.565 -2.514 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.718 3.630 -1.612 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.209 2.204 -1.756 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.235 3.721 -1.920 1.00 0.00 C ATOM 0 H LEU A 105 -31.988 4.696 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.061 5.551 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.244 3.976 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -28.848 5.023 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.866 3.943 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.626 1.551 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -30.260 2.151 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.095 1.883 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.685 3.046 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.061 3.440 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -26.892 4.743 -1.759 1.00 0.00 H new ATOM 1421 N ILE A 106 -28.768 7.496 -1.452 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.184 8.803 -1.666 1.00 0.00 C ATOM 1423 C ILE A 106 -26.714 8.686 -2.045 1.00 0.00 C ATOM 1424 O ILE A 106 -26.084 7.670 -1.780 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.319 9.638 -0.386 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -29.794 9.805 -0.032 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.645 10.990 -0.541 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.570 10.604 -1.052 1.00 0.00 C ATOM 0 H ILE A 106 -28.345 6.975 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 106 -28.714 9.290 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 106 -27.817 9.113 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.249 8.820 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.874 10.294 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.757 11.560 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.585 10.846 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.108 11.536 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.610 10.683 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.139 11.602 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.521 10.104 -2.019 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.170 9.729 -2.657 1.00 0.00 N ATOM 1441 CA GLY A 107 -24.772 9.699 -3.046 1.00 0.00 C ATOM 1442 C GLY A 107 -24.417 8.463 -3.841 1.00 0.00 C ATOM 1443 O GLY A 107 -23.272 8.013 -3.841 1.00 0.00 O ATOM 0 H GLY A 107 -26.666 10.589 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.544 10.585 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.149 9.744 -2.153 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.421 7.900 -4.480 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.254 6.719 -5.310 1.00 0.00 C ATOM 1449 C ASN A 108 -24.739 5.529 -4.505 1.00 0.00 C ATOM 1450 O ASN A 108 -23.810 5.653 -3.708 1.00 0.00 O ATOM 1451 CB ASN A 108 -24.306 7.039 -6.452 1.00 0.00 C ATOM 1452 CG ASN A 108 -25.032 7.221 -7.769 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -24.773 8.171 -8.508 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -25.961 6.320 -8.064 1.00 0.00 N ATOM 0 H ASN A 108 -26.379 8.247 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.229 6.438 -5.709 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -23.751 7.947 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.575 6.236 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -26.492 6.400 -8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -26.144 5.548 -7.423 1.00 0.00 H new ATOM 1461 N SER A 109 -25.353 4.375 -4.736 1.00 0.00 N ATOM 1462 CA SER A 109 -25.000 3.150 -4.032 1.00 0.00 C ATOM 1463 C SER A 109 -23.558 2.731 -4.307 1.00 0.00 C ATOM 1464 O SER A 109 -22.922 2.084 -3.475 1.00 0.00 O ATOM 1465 CB SER A 109 -25.964 2.033 -4.436 1.00 0.00 C ATOM 1466 OG SER A 109 -25.406 1.197 -5.436 1.00 0.00 O ATOM 0 H SER A 109 -26.107 4.263 -5.414 1.00 0.00 H new ATOM 0 HA SER A 109 -25.083 3.339 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.216 1.435 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.893 2.469 -4.803 1.00 0.00 H new ATOM 0 HG SER A 109 -26.120 0.687 -5.872 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.053 3.092 -5.479 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.696 2.728 -5.842 1.00 0.00 C ATOM 1474 C GLY A 110 -20.674 3.147 -4.801 1.00 0.00 C ATOM 1475 O GLY A 110 -20.623 4.310 -4.401 1.00 0.00 O ATOM 0 H GLY A 110 -23.557 3.629 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.640 1.649 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.445 3.189 -6.797 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.856 2.192 -4.367 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.807 2.459 -3.387 1.00 0.00 C ATOM 1481 C VAL A 111 -17.465 1.944 -3.897 1.00 0.00 C ATOM 1482 O VAL A 111 -17.417 0.986 -4.665 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.116 1.807 -2.029 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.278 2.433 -0.923 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.599 1.914 -1.708 1.00 0.00 C ATOM 0 H VAL A 111 -19.900 1.222 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.762 3.539 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.855 0.751 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.515 1.955 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.220 2.294 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.499 3.498 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.797 1.447 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.888 2.964 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.176 1.408 -2.482 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.379 2.591 -3.484 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.047 2.191 -3.926 1.00 0.00 C ATOM 1497 C LEU A 112 -14.271 1.504 -2.811 1.00 0.00 C ATOM 1498 O LEU A 112 -14.134 2.042 -1.714 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.254 3.407 -4.420 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.755 3.160 -4.645 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.041 4.460 -4.980 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.547 2.136 -5.751 1.00 0.00 C ATOM 0 H LEU A 112 -16.394 3.389 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.178 1.484 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.694 3.752 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.369 4.214 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.329 2.765 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.980 4.263 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.468 4.886 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.162 5.164 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.480 1.972 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.023 1.196 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.989 2.505 -6.677 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.716 0.338 -3.122 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.881 -0.382 -2.174 1.00 0.00 C ATOM 1516 C CYS A 113 -11.423 0.002 -2.386 1.00 0.00 C ATOM 1517 O CYS A 113 -10.813 -0.386 -3.384 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.042 -1.891 -2.342 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.956 -2.872 -1.257 1.00 0.00 S ATOM 0 H CYS A 113 -13.830 -0.127 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.192 -0.112 -1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.079 -2.161 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -12.838 -2.155 -3.380 1.00 0.00 H new ATOM 1524 N SER A 114 -10.881 0.803 -1.477 1.00 0.00 N ATOM 1525 CA SER A 114 -9.505 1.261 -1.598 1.00 0.00 C ATOM 1526 C SER A 114 -8.912 1.589 -0.235 1.00 0.00 C ATOM 1527 O SER A 114 -9.633 1.734 0.752 1.00 0.00 O ATOM 1528 CB SER A 114 -9.434 2.492 -2.504 1.00 0.00 C ATOM 1529 OG SER A 114 -8.147 2.628 -3.080 1.00 0.00 O ATOM 0 H SER A 114 -11.372 1.147 -0.652 1.00 0.00 H new ATOM 0 HA SER A 114 -8.922 0.454 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.182 2.410 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.674 3.386 -1.928 1.00 0.00 H new ATOM 0 HG SER A 114 -8.128 3.421 -3.656 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.591 1.701 -0.192 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.903 2.020 1.049 1.00 0.00 C ATOM 1537 C GLY A 115 -7.413 1.214 2.230 1.00 0.00 C ATOM 1538 O GLY A 115 -7.433 1.701 3.360 1.00 0.00 O ATOM 0 H GLY A 115 -6.978 1.576 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.836 1.837 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.022 3.082 1.262 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.823 -0.024 1.969 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.335 -0.872 3.028 1.00 0.00 C ATOM 1544 C GLY A 116 -9.630 -0.345 3.616 1.00 0.00 C ATOM 1545 O GLY A 116 -10.017 -0.721 4.722 1.00 0.00 O ATOM 0 H GLY A 116 -7.809 -0.454 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.499 -1.877 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.588 -0.954 3.817 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.301 0.530 2.873 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.557 1.112 3.321 1.00 0.00 C ATOM 1551 C GLU A 117 -12.483 1.372 2.141 1.00 0.00 C ATOM 1552 O GLU A 117 -12.154 1.055 0.998 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.297 2.417 4.073 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.841 3.555 3.174 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.507 4.815 3.950 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -11.326 5.758 3.930 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -9.427 4.858 4.575 1.00 0.00 O ATOM 0 H GLU A 117 -9.993 0.851 1.955 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.040 0.402 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.208 2.716 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.539 2.242 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.964 3.238 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.624 3.776 2.449 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.635 1.963 2.424 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.610 2.263 1.392 1.00 0.00 C ATOM 1566 C TRP A 118 -14.857 3.761 1.296 1.00 0.00 C ATOM 1567 O TRP A 118 -15.220 4.406 2.279 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.910 1.528 1.686 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.767 0.043 1.604 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.370 -0.795 2.604 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.981 -0.779 0.451 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.346 -2.089 2.152 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.714 -2.105 0.833 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.380 -0.523 -0.863 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.833 -3.172 -0.050 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.499 -1.585 -1.741 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.227 -2.895 -1.330 1.00 0.00 C ATOM 0 H TRP A 118 -13.915 2.244 3.364 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.217 1.926 0.433 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.259 1.800 2.682 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.674 1.854 0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.112 -0.485 3.606 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.095 -2.907 2.708 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.592 0.485 -1.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.622 -4.184 0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.807 -1.401 -2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.330 -3.704 -2.038 1.00 0.00 H new ATOM 1588 N SER A 119 -14.642 4.313 0.108 1.00 0.00 N ATOM 1589 CA SER A 119 -14.829 5.740 -0.111 1.00 0.00 C ATOM 1590 C SER A 119 -16.106 6.012 -0.897 1.00 0.00 C ATOM 1591 O SER A 119 -16.509 5.219 -1.748 1.00 0.00 O ATOM 1592 CB SER A 119 -13.627 6.326 -0.854 1.00 0.00 C ATOM 1593 OG SER A 119 -12.733 5.307 -1.265 1.00 0.00 O ATOM 0 H SER A 119 -14.339 3.795 -0.716 1.00 0.00 H new ATOM 0 HA SER A 119 -14.916 6.220 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.971 6.885 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.106 7.032 -0.208 1.00 0.00 H new ATOM 0 HG SER A 119 -11.975 5.708 -1.739 1.00 0.00 H new ATOM 1599 N ASP A 120 -16.735 7.143 -0.600 1.00 0.00 N ATOM 1600 CA ASP A 120 -17.960 7.551 -1.278 1.00 0.00 C ATOM 1601 C ASP A 120 -19.166 6.701 -0.870 1.00 0.00 C ATOM 1602 O ASP A 120 -19.993 6.357 -1.715 1.00 0.00 O ATOM 1603 CB ASP A 120 -17.768 7.476 -2.792 1.00 0.00 C ATOM 1604 CG ASP A 120 -18.383 8.659 -3.514 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -17.698 9.695 -3.648 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.549 8.549 -3.947 1.00 0.00 O ATOM 0 H ASP A 120 -16.414 7.799 0.112 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.167 8.578 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -16.703 7.430 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.213 6.554 -3.166 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.317 6.380 0.430 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.467 5.609 0.911 1.00 0.00 C ATOM 1613 C PRO A 121 -21.753 6.423 0.808 1.00 0.00 C ATOM 1614 O PRO A 121 -21.732 7.644 0.966 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.124 5.316 2.371 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.194 6.412 2.765 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.409 6.754 1.528 1.00 0.00 C ATOM 0 HA PRO A 121 -20.640 4.705 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.018 5.311 2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.654 4.339 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.745 7.279 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.533 6.092 3.571 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.154 7.813 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.472 6.199 1.481 1.00 0.00 H new ATOM 1625 N PRO A 122 -22.892 5.772 0.524 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.157 6.457 0.343 1.00 0.00 C ATOM 1627 C PRO A 122 -25.027 6.482 1.586 1.00 0.00 C ATOM 1628 O PRO A 122 -24.624 6.052 2.666 1.00 0.00 O ATOM 1629 CB PRO A 122 -24.830 5.615 -0.735 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.288 4.231 -0.558 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.033 4.330 0.277 1.00 0.00 C ATOM 0 HA PRO A 122 -24.009 7.508 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -25.914 5.629 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -24.606 6.000 -1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.023 3.593 -0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.068 3.780 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.127 3.771 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.168 3.928 -0.251 1.00 0.00 H new ATOM 1639 N THR A 123 -26.236 6.985 1.398 1.00 0.00 N ATOM 1640 CA THR A 123 -27.233 7.053 2.457 1.00 0.00 C ATOM 1641 C THR A 123 -28.559 6.537 1.928 1.00 0.00 C ATOM 1642 O THR A 123 -28.688 6.279 0.738 1.00 0.00 O ATOM 1643 CB THR A 123 -27.394 8.495 2.951 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.285 9.284 2.559 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.531 8.608 4.454 1.00 0.00 C ATOM 0 H THR A 123 -26.556 7.359 0.505 1.00 0.00 H new ATOM 0 HA THR A 123 -26.906 6.437 3.295 1.00 0.00 H new ATOM 0 HB THR A 123 -28.317 8.853 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.406 10.201 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.641 9.656 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.409 8.052 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.642 8.198 4.932 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.537 6.380 2.803 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.851 5.918 2.382 1.00 0.00 C ATOM 1655 C CYS A 124 -31.935 6.827 2.935 1.00 0.00 C ATOM 1656 O CYS A 124 -32.415 6.637 4.052 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.085 4.477 2.829 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.532 3.230 1.622 1.00 0.00 S ATOM 0 H CYS A 124 -29.449 6.564 3.802 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.893 5.950 1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.565 4.311 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.148 4.335 3.022 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.297 7.832 2.150 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.296 8.801 2.563 1.00 0.00 C ATOM 1665 C GLN A 125 -34.513 8.761 1.657 1.00 0.00 C ATOM 1666 O GLN A 125 -34.585 7.971 0.717 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.693 10.206 2.554 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.071 10.634 3.877 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.457 9.489 4.662 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -30.347 8.964 4.163 1.00 0.00 O flip ATOM 1671 NE2 GLN A 125 -31.974 9.084 5.704 1.00 0.00 N flip ATOM 0 H GLN A 125 -31.911 7.996 1.220 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.616 8.545 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -31.931 10.256 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.471 10.920 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -31.303 11.382 3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -32.835 11.114 4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -32.829 9.518 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -31.547 8.314 6.220 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.467 9.624 1.958 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.699 9.701 1.193 1.00 0.00 C ATOM 1682 C ILE A 126 -36.687 10.905 0.256 1.00 0.00 C ATOM 1683 O ILE A 126 -37.391 11.890 0.480 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.920 9.779 2.127 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.973 8.540 3.015 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.207 9.919 1.328 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -38.183 7.255 2.248 1.00 0.00 C ATOM 0 H ILE A 126 -35.411 10.286 2.732 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.772 8.793 0.594 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.820 10.663 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.044 8.468 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.779 8.657 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.055 9.972 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.166 10.829 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.323 9.057 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -38.210 6.416 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.126 7.306 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.364 7.115 1.542 1.00 0.00 H new TER 1699 ILE A 126