USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 771 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 25 THR OG1 : rot -142:sc= 0.0945 USER MOD Set 1.2: A 54 SER OG : rot -170:sc= 0 USER MOD Set 1.3: A 67 HIS : no HD1:sc= 0.122 K(o=0.22,f=-0.39) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 148:sc= -0.434 (180deg=-1.35!) USER MOD Set 2.2: A 77 TYR OH : rot -25:sc= 0.746 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -125:sc= 1.03 (180deg=-0.386) USER MOD Set 3.2: A 80 MET CE :methyl -116:sc= -0.0706 (180deg=-1.5) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.00425 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 1 USER MOD Single : A 6 SER OG : rot -0:sc= 0.713 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.85 K(o=-1.9,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 160:sc= -0.341! USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= -0.457 (180deg=-0.458) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -42:sc= 0.288 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot 13:sc= -0.254 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= -0.383 (180deg=-0.522) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.225 X(o=0.23,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00699 USER MOD Single : A 62 CYS SG : rot -3:sc= 0.029 USER MOD Single : A 65 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.19) USER MOD Single : A 70 SER OG : rot 34:sc= 0.781 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 104:sc= 0.213 USER MOD Single : A 81 CYS SG : rot -119:sc= -2.41! USER MOD Single : A 83 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.21) USER MOD Single : A 86 THR OG1 : rot 80:sc= -0.831 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 21:sc= 0.79 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.995 35.933 -6.758 1.00 0.00 N ATOM 2 CA GLY A 1 22.411 35.689 -6.962 1.00 0.00 C ATOM 3 C GLY A 1 22.711 34.234 -7.263 1.00 0.00 C ATOM 4 O GLY A 1 21.972 33.580 -7.998 1.00 0.00 O ATOM 0 H1 GLY A 1 20.715 36.797 -7.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.448 35.126 -7.121 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.806 36.051 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.768 36.308 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.961 35.994 -6.072 1.00 0.00 H new ATOM 8 N SER A 2 23.800 33.726 -6.694 1.00 0.00 N ATOM 9 CA SER A 2 24.199 32.340 -6.909 1.00 0.00 C ATOM 10 C SER A 2 23.911 31.493 -5.674 1.00 0.00 C ATOM 11 O SER A 2 23.404 30.377 -5.777 1.00 0.00 O ATOM 12 CB SER A 2 25.687 32.264 -7.258 1.00 0.00 C ATOM 13 OG SER A 2 25.909 32.582 -8.621 1.00 0.00 O ATOM 0 H SER A 2 24.421 34.254 -6.081 1.00 0.00 H new ATOM 0 HA SER A 2 23.617 31.946 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.248 32.952 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.062 31.262 -7.050 1.00 0.00 H new ATOM 0 HG SER A 2 26.868 32.528 -8.818 1.00 0.00 H new ATOM 19 N SER A 3 24.238 32.034 -4.504 1.00 0.00 N ATOM 20 CA SER A 3 24.018 31.328 -3.247 1.00 0.00 C ATOM 21 C SER A 3 23.025 32.081 -2.367 1.00 0.00 C ATOM 22 O SER A 3 22.732 33.252 -2.605 1.00 0.00 O ATOM 23 CB SER A 3 25.341 31.145 -2.502 1.00 0.00 C ATOM 24 OG SER A 3 25.968 32.393 -2.263 1.00 0.00 O ATOM 0 H SER A 3 24.656 32.959 -4.401 1.00 0.00 H new ATOM 0 HA SER A 3 23.601 30.348 -3.478 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.161 30.637 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.005 30.506 -3.085 1.00 0.00 H new ATOM 0 HG SER A 3 26.811 32.249 -1.784 1.00 0.00 H new ATOM 30 N GLY A 4 22.511 31.399 -1.348 1.00 0.00 N ATOM 31 CA GLY A 4 21.556 32.018 -0.448 1.00 0.00 C ATOM 32 C GLY A 4 20.257 31.242 -0.356 1.00 0.00 C ATOM 33 O GLY A 4 20.032 30.304 -1.120 1.00 0.00 O ATOM 0 H GLY A 4 22.739 30.429 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.998 32.099 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.346 33.032 -0.788 1.00 0.00 H new ATOM 37 N SER A 5 19.401 31.634 0.583 1.00 0.00 N ATOM 38 CA SER A 5 18.120 30.964 0.775 1.00 0.00 C ATOM 39 C SER A 5 17.133 31.355 -0.320 1.00 0.00 C ATOM 40 O SER A 5 16.340 32.282 -0.155 1.00 0.00 O ATOM 41 CB SER A 5 17.540 31.312 2.148 1.00 0.00 C ATOM 42 OG SER A 5 17.279 32.701 2.254 1.00 0.00 O ATOM 0 H SER A 5 19.571 32.411 1.222 1.00 0.00 H new ATOM 0 HA SER A 5 18.288 29.888 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.619 30.752 2.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.238 31.009 2.929 1.00 0.00 H new ATOM 0 HG SER A 5 16.800 33.006 1.455 1.00 0.00 H new ATOM 48 N SER A 6 17.187 30.640 -1.440 1.00 0.00 N ATOM 49 CA SER A 6 16.301 30.914 -2.565 1.00 0.00 C ATOM 50 C SER A 6 16.199 29.699 -3.483 1.00 0.00 C ATOM 51 O SER A 6 17.189 29.264 -4.069 1.00 0.00 O ATOM 52 CB SER A 6 16.804 32.123 -3.355 1.00 0.00 C ATOM 53 OG SER A 6 17.915 31.778 -4.165 1.00 0.00 O ATOM 0 H SER A 6 17.835 29.867 -1.592 1.00 0.00 H new ATOM 0 HA SER A 6 15.309 31.135 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.001 32.512 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.086 32.920 -2.666 1.00 0.00 H new ATOM 0 HG SER A 6 18.131 30.831 -4.038 1.00 0.00 H new ATOM 59 N GLY A 7 14.991 29.156 -3.603 1.00 0.00 N ATOM 60 CA GLY A 7 14.779 27.997 -4.451 1.00 0.00 C ATOM 61 C GLY A 7 13.486 27.274 -4.131 1.00 0.00 C ATOM 62 O GLY A 7 12.581 27.824 -3.504 1.00 0.00 O ATOM 0 H GLY A 7 14.156 29.498 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.767 28.311 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.615 27.308 -4.335 1.00 0.00 H new ATOM 66 N PRO A 8 13.387 26.010 -4.569 1.00 0.00 N ATOM 67 CA PRO A 8 12.199 25.183 -4.338 1.00 0.00 C ATOM 68 C PRO A 8 12.040 24.792 -2.873 1.00 0.00 C ATOM 69 O PRO A 8 12.784 25.260 -2.012 1.00 0.00 O ATOM 70 CB PRO A 8 12.457 23.943 -5.198 1.00 0.00 C ATOM 71 CG PRO A 8 13.940 23.868 -5.318 1.00 0.00 C ATOM 72 CD PRO A 8 14.428 25.290 -5.322 1.00 0.00 C ATOM 0 HA PRO A 8 11.280 25.711 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.052 23.046 -4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.985 24.034 -6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.371 23.310 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.232 23.353 -6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.404 25.381 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.531 25.677 -6.336 1.00 0.00 H new ATOM 80 N ALA A 9 11.067 23.930 -2.598 1.00 0.00 N ATOM 81 CA ALA A 9 10.813 23.473 -1.237 1.00 0.00 C ATOM 82 C ALA A 9 11.774 22.356 -0.844 1.00 0.00 C ATOM 83 O ALA A 9 12.232 21.592 -1.693 1.00 0.00 O ATOM 84 CB ALA A 9 9.372 23.007 -1.097 1.00 0.00 C ATOM 0 H ALA A 9 10.441 23.534 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 9 10.979 24.312 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.197 22.669 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.699 23.833 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.187 22.185 -1.788 1.00 0.00 H new ATOM 90 N ARG A 10 12.074 22.267 0.448 1.00 0.00 N ATOM 91 CA ARG A 10 12.982 21.244 0.952 1.00 0.00 C ATOM 92 C ARG A 10 12.301 20.390 2.017 1.00 0.00 C ATOM 93 O ARG A 10 11.591 20.906 2.881 1.00 0.00 O ATOM 94 CB ARG A 10 14.242 21.890 1.530 1.00 0.00 C ATOM 95 CG ARG A 10 13.966 22.835 2.688 1.00 0.00 C ATOM 96 CD ARG A 10 15.240 23.178 3.444 1.00 0.00 C ATOM 97 NE ARG A 10 14.967 23.602 4.814 1.00 0.00 N ATOM 98 CZ ARG A 10 15.800 24.346 5.533 1.00 0.00 C ATOM 99 NH1 ARG A 10 16.953 24.746 5.015 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.481 24.691 6.774 1.00 0.00 N ATOM 0 H ARG A 10 11.702 22.891 1.164 1.00 0.00 H new ATOM 0 HA ARG A 10 13.262 20.600 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.921 21.106 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.755 22.438 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.508 23.750 2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.249 22.377 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.898 22.309 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.771 23.972 2.918 1.00 0.00 H new ATOM 0 HE ARG A 10 14.088 23.311 5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.203 24.483 4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.590 25.317 5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.595 24.385 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.121 25.262 7.325 1.00 0.00 H new ATOM 114 N PHE A 11 12.521 19.081 1.949 1.00 0.00 N ATOM 115 CA PHE A 11 11.928 18.155 2.907 1.00 0.00 C ATOM 116 C PHE A 11 12.400 18.462 4.325 1.00 0.00 C ATOM 117 O PHE A 11 13.586 18.694 4.561 1.00 0.00 O ATOM 118 CB PHE A 11 12.282 16.713 2.541 1.00 0.00 C ATOM 119 CG PHE A 11 11.526 16.193 1.351 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.267 15.635 1.504 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.074 16.263 0.081 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.568 15.157 0.411 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.380 15.786 -1.015 1.00 0.00 C ATOM 124 CZ PHE A 11 10.126 15.231 -0.850 1.00 0.00 C ATOM 0 H PHE A 11 13.106 18.638 1.240 1.00 0.00 H new ATOM 0 HA PHE A 11 10.846 18.277 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.351 16.650 2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.082 16.070 3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.827 15.573 2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.054 16.695 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.587 14.726 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.818 15.847 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.583 14.856 -1.705 1.00 0.00 H new ATOM 134 N THR A 12 11.463 18.462 5.268 1.00 0.00 N ATOM 135 CA THR A 12 11.781 18.742 6.662 1.00 0.00 C ATOM 136 C THR A 12 11.613 17.497 7.525 1.00 0.00 C ATOM 137 O THR A 12 12.111 17.439 8.649 1.00 0.00 O ATOM 138 CB THR A 12 10.892 19.867 7.226 1.00 0.00 C ATOM 139 OG1 THR A 12 9.526 19.441 7.262 1.00 0.00 O ATOM 140 CG2 THR A 12 11.014 21.127 6.383 1.00 0.00 C ATOM 0 H THR A 12 10.477 18.271 5.091 1.00 0.00 H new ATOM 0 HA THR A 12 12.822 19.063 6.690 1.00 0.00 H new ATOM 0 HB THR A 12 11.228 20.092 8.238 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.968 20.161 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.377 21.907 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.050 21.466 6.383 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.702 20.913 5.361 1.00 0.00 H new ATOM 148 N GLN A 13 10.911 16.503 6.991 1.00 0.00 N ATOM 149 CA GLN A 13 10.679 15.258 7.714 1.00 0.00 C ATOM 150 C GLN A 13 10.898 14.052 6.807 1.00 0.00 C ATOM 151 O GLN A 13 10.073 13.755 5.942 1.00 0.00 O ATOM 152 CB GLN A 13 9.259 15.231 8.283 1.00 0.00 C ATOM 153 CG GLN A 13 9.143 15.867 9.659 1.00 0.00 C ATOM 154 CD GLN A 13 7.705 16.013 10.115 1.00 0.00 C ATOM 155 OE1 GLN A 13 6.771 15.804 9.340 1.00 0.00 O ATOM 156 NE2 GLN A 13 7.518 16.374 11.379 1.00 0.00 N ATOM 0 H GLN A 13 10.493 16.535 6.061 1.00 0.00 H new ATOM 0 HA GLN A 13 11.394 15.206 8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.591 15.749 7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.919 14.197 8.340 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.690 15.262 10.382 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.616 16.849 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.321 16.537 11.987 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.572 16.488 11.742 1.00 0.00 H new ATOM 165 N ASP A 14 12.015 13.362 7.008 1.00 0.00 N ATOM 166 CA ASP A 14 12.343 12.188 6.208 1.00 0.00 C ATOM 167 C ASP A 14 11.102 11.338 5.956 1.00 0.00 C ATOM 168 O ASP A 14 10.386 10.973 6.890 1.00 0.00 O ATOM 169 CB ASP A 14 13.416 11.351 6.908 1.00 0.00 C ATOM 170 CG ASP A 14 13.108 11.125 8.375 1.00 0.00 C ATOM 171 OD1 ASP A 14 12.163 10.365 8.673 1.00 0.00 O ATOM 172 OD2 ASP A 14 13.813 11.708 9.225 1.00 0.00 O ATOM 0 H ASP A 14 12.709 13.595 7.718 1.00 0.00 H new ATOM 0 HA ASP A 14 12.729 12.530 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.506 10.388 6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.380 11.850 6.815 1.00 0.00 H new ATOM 177 N LEU A 15 10.851 11.027 4.689 1.00 0.00 N ATOM 178 CA LEU A 15 9.695 10.221 4.313 1.00 0.00 C ATOM 179 C LEU A 15 9.777 8.829 4.933 1.00 0.00 C ATOM 180 O LEU A 15 10.837 8.203 4.941 1.00 0.00 O ATOM 181 CB LEU A 15 9.600 10.109 2.791 1.00 0.00 C ATOM 182 CG LEU A 15 8.277 9.577 2.238 1.00 0.00 C ATOM 183 CD1 LEU A 15 8.026 10.120 0.840 1.00 0.00 C ATOM 184 CD2 LEU A 15 8.275 8.056 2.230 1.00 0.00 C ATOM 0 H LEU A 15 11.433 11.321 3.904 1.00 0.00 H new ATOM 0 HA LEU A 15 8.800 10.715 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.780 11.095 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.403 9.459 2.444 1.00 0.00 H new ATOM 0 HG LEU A 15 7.471 9.917 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.080 9.731 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.982 11.209 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.835 9.811 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.326 7.695 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.091 7.694 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.407 7.687 3.247 1.00 0.00 H new ATOM 196 N LYS A 16 8.650 8.350 5.450 1.00 0.00 N ATOM 197 CA LYS A 16 8.592 7.031 6.069 1.00 0.00 C ATOM 198 C LYS A 16 7.516 6.170 5.414 1.00 0.00 C ATOM 199 O LYS A 16 6.835 6.607 4.486 1.00 0.00 O ATOM 200 CB LYS A 16 8.315 7.160 7.568 1.00 0.00 C ATOM 201 CG LYS A 16 9.573 7.265 8.412 1.00 0.00 C ATOM 202 CD LYS A 16 10.267 5.920 8.548 1.00 0.00 C ATOM 203 CE LYS A 16 9.345 4.877 9.161 1.00 0.00 C ATOM 204 NZ LYS A 16 10.106 3.817 9.879 1.00 0.00 N ATOM 0 H LYS A 16 7.764 8.856 5.452 1.00 0.00 H new ATOM 0 HA LYS A 16 9.558 6.547 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.697 8.041 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.737 6.297 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.256 7.984 7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.318 7.646 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.601 5.581 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.157 6.030 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.657 5.362 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.740 4.422 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.442 3.126 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.744 3.336 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.664 4.248 10.644 1.00 0.00 H new ATOM 218 N THR A 17 7.367 4.944 5.905 1.00 0.00 N ATOM 219 CA THR A 17 6.373 4.022 5.369 1.00 0.00 C ATOM 220 C THR A 17 5.820 3.113 6.460 1.00 0.00 C ATOM 221 O THR A 17 6.164 3.255 7.634 1.00 0.00 O ATOM 222 CB THR A 17 6.964 3.152 4.243 1.00 0.00 C ATOM 223 OG1 THR A 17 5.987 2.211 3.787 1.00 0.00 O ATOM 224 CG2 THR A 17 8.202 2.411 4.726 1.00 0.00 C ATOM 0 H THR A 17 7.922 4.566 6.673 1.00 0.00 H new ATOM 0 HA THR A 17 5.565 4.630 4.963 1.00 0.00 H new ATOM 0 HB THR A 17 7.249 3.807 3.419 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.232 1.892 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.602 1.803 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.955 3.131 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.937 1.767 5.565 1.00 0.00 H new ATOM 232 N LYS A 18 4.962 2.178 6.067 1.00 0.00 N ATOM 233 CA LYS A 18 4.362 1.244 7.012 1.00 0.00 C ATOM 234 C LYS A 18 4.471 -0.190 6.503 1.00 0.00 C ATOM 235 O LYS A 18 4.784 -0.421 5.335 1.00 0.00 O ATOM 236 CB LYS A 18 2.893 1.601 7.250 1.00 0.00 C ATOM 237 CG LYS A 18 2.002 1.348 6.046 1.00 0.00 C ATOM 238 CD LYS A 18 1.463 -0.073 6.039 1.00 0.00 C ATOM 239 CE LYS A 18 0.138 -0.169 6.781 1.00 0.00 C ATOM 240 NZ LYS A 18 -0.952 0.550 6.066 1.00 0.00 N ATOM 0 H LYS A 18 4.666 2.047 5.100 1.00 0.00 H new ATOM 0 HA LYS A 18 4.906 1.319 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.520 1.023 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.824 2.653 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.171 2.053 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.566 1.529 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.331 -0.408 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.190 -0.741 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.136 -1.217 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.252 0.247 7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.841 0.446 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.710 1.559 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.067 0.148 5.114 1.00 0.00 H new ATOM 254 N GLU A 19 4.212 -1.148 7.387 1.00 0.00 N ATOM 255 CA GLU A 19 4.281 -2.559 7.025 1.00 0.00 C ATOM 256 C GLU A 19 2.886 -3.176 6.970 1.00 0.00 C ATOM 257 O GLU A 19 2.235 -3.356 7.998 1.00 0.00 O ATOM 258 CB GLU A 19 5.149 -3.323 8.027 1.00 0.00 C ATOM 259 CG GLU A 19 4.579 -3.343 9.436 1.00 0.00 C ATOM 260 CD GLU A 19 5.656 -3.445 10.499 1.00 0.00 C ATOM 261 OE1 GLU A 19 6.248 -4.535 10.641 1.00 0.00 O ATOM 262 OE2 GLU A 19 5.905 -2.434 11.189 1.00 0.00 O ATOM 0 H GLU A 19 3.953 -0.973 8.358 1.00 0.00 H new ATOM 0 HA GLU A 19 4.731 -2.632 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.273 -4.349 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.142 -2.873 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.995 -2.437 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.895 -4.186 9.535 1.00 0.00 H new ATOM 269 N ALA A 20 2.435 -3.497 5.762 1.00 0.00 N ATOM 270 CA ALA A 20 1.120 -4.095 5.572 1.00 0.00 C ATOM 271 C ALA A 20 1.233 -5.495 4.979 1.00 0.00 C ATOM 272 O ALA A 20 2.302 -5.902 4.524 1.00 0.00 O ATOM 273 CB ALA A 20 0.262 -3.210 4.679 1.00 0.00 C ATOM 0 H ALA A 20 2.961 -3.353 4.900 1.00 0.00 H new ATOM 0 HA ALA A 20 0.643 -4.180 6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.718 -3.669 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.144 -2.231 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.745 -3.096 3.708 1.00 0.00 H new ATOM 279 N SER A 21 0.125 -6.229 4.990 1.00 0.00 N ATOM 280 CA SER A 21 0.102 -7.586 4.457 1.00 0.00 C ATOM 281 C SER A 21 -0.265 -7.583 2.976 1.00 0.00 C ATOM 282 O SER A 21 -0.821 -6.610 2.466 1.00 0.00 O ATOM 283 CB SER A 21 -0.894 -8.446 5.238 1.00 0.00 C ATOM 284 OG SER A 21 -2.228 -8.144 4.870 1.00 0.00 O ATOM 0 H SER A 21 -0.768 -5.907 5.362 1.00 0.00 H new ATOM 0 HA SER A 21 1.101 -8.009 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.692 -9.501 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.762 -8.280 6.307 1.00 0.00 H new ATOM 0 HG SER A 21 -2.844 -8.708 5.382 1.00 0.00 H new ATOM 290 N GLU A 22 0.051 -8.678 2.292 1.00 0.00 N ATOM 291 CA GLU A 22 -0.244 -8.801 0.869 1.00 0.00 C ATOM 292 C GLU A 22 -1.710 -8.483 0.588 1.00 0.00 C ATOM 293 O GLU A 22 -2.600 -8.907 1.324 1.00 0.00 O ATOM 294 CB GLU A 22 0.087 -10.211 0.377 1.00 0.00 C ATOM 295 CG GLU A 22 1.525 -10.372 -0.086 1.00 0.00 C ATOM 296 CD GLU A 22 1.774 -11.706 -0.763 1.00 0.00 C ATOM 297 OE1 GLU A 22 1.276 -11.899 -1.892 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.466 -12.556 -0.165 1.00 0.00 O ATOM 0 H GLU A 22 0.511 -9.492 2.700 1.00 0.00 H new ATOM 0 HA GLU A 22 0.375 -8.082 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.109 -10.922 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.581 -10.466 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.773 -9.566 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.192 -10.273 0.771 1.00 0.00 H new ATOM 305 N GLY A 23 -1.952 -7.733 -0.482 1.00 0.00 N ATOM 306 CA GLY A 23 -3.311 -7.370 -0.842 1.00 0.00 C ATOM 307 C GLY A 23 -3.800 -6.144 -0.096 1.00 0.00 C ATOM 308 O GLY A 23 -4.903 -5.657 -0.345 1.00 0.00 O ATOM 0 H GLY A 23 -1.232 -7.370 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.362 -7.183 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.975 -8.208 -0.632 1.00 0.00 H new ATOM 312 N ALA A 24 -2.980 -5.646 0.823 1.00 0.00 N ATOM 313 CA ALA A 24 -3.335 -4.469 1.607 1.00 0.00 C ATOM 314 C ALA A 24 -2.908 -3.188 0.899 1.00 0.00 C ATOM 315 O ALA A 24 -2.424 -3.223 -0.232 1.00 0.00 O ATOM 316 CB ALA A 24 -2.704 -4.546 2.990 1.00 0.00 C ATOM 0 H ALA A 24 -2.065 -6.039 1.043 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.419 -4.449 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.977 -3.661 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.063 -5.438 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.619 -4.595 2.893 1.00 0.00 H new ATOM 322 N THR A 25 -3.092 -2.056 1.572 1.00 0.00 N ATOM 323 CA THR A 25 -2.728 -0.763 1.007 1.00 0.00 C ATOM 324 C THR A 25 -1.878 0.043 1.982 1.00 0.00 C ATOM 325 O THR A 25 -2.384 0.568 2.974 1.00 0.00 O ATOM 326 CB THR A 25 -3.976 0.057 0.631 1.00 0.00 C ATOM 327 OG1 THR A 25 -4.885 -0.752 -0.123 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.592 1.286 -0.179 1.00 0.00 C ATOM 0 H THR A 25 -3.491 -2.009 2.509 1.00 0.00 H new ATOM 0 HA THR A 25 -2.149 -0.963 0.105 1.00 0.00 H new ATOM 0 HB THR A 25 -4.459 0.384 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.295 -0.211 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.490 1.849 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.923 1.915 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.087 0.976 -1.094 1.00 0.00 H new ATOM 336 N ALA A 26 -0.584 0.139 1.693 1.00 0.00 N ATOM 337 CA ALA A 26 0.335 0.885 2.544 1.00 0.00 C ATOM 338 C ALA A 26 -0.039 2.362 2.594 1.00 0.00 C ATOM 339 O ALA A 26 -1.053 2.777 2.030 1.00 0.00 O ATOM 340 CB ALA A 26 1.764 0.717 2.051 1.00 0.00 C ATOM 0 H ALA A 26 -0.149 -0.290 0.876 1.00 0.00 H new ATOM 0 HA ALA A 26 0.261 0.484 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.440 1.279 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.035 -0.339 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.843 1.090 1.030 1.00 0.00 H new ATOM 346 N THR A 27 0.785 3.154 3.273 1.00 0.00 N ATOM 347 CA THR A 27 0.540 4.586 3.398 1.00 0.00 C ATOM 348 C THR A 27 1.779 5.313 3.905 1.00 0.00 C ATOM 349 O THR A 27 2.163 5.172 5.067 1.00 0.00 O ATOM 350 CB THR A 27 -0.636 4.873 4.350 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.687 3.925 4.130 1.00 0.00 O ATOM 352 CG2 THR A 27 -1.168 6.283 4.143 1.00 0.00 C ATOM 0 H THR A 27 1.628 2.828 3.745 1.00 0.00 H new ATOM 0 HA THR A 27 0.290 4.952 2.402 1.00 0.00 H new ATOM 0 HB THR A 27 -0.275 4.784 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.799 3.778 3.168 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.998 6.463 4.826 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.374 7.004 4.339 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.514 6.394 3.115 1.00 0.00 H new ATOM 360 N LEU A 28 2.402 6.093 3.029 1.00 0.00 N ATOM 361 CA LEU A 28 3.599 6.845 3.389 1.00 0.00 C ATOM 362 C LEU A 28 3.272 8.320 3.605 1.00 0.00 C ATOM 363 O LEU A 28 2.322 8.845 3.024 1.00 0.00 O ATOM 364 CB LEU A 28 4.663 6.702 2.299 1.00 0.00 C ATOM 365 CG LEU A 28 5.094 5.273 1.967 1.00 0.00 C ATOM 366 CD1 LEU A 28 4.241 4.706 0.842 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.568 5.234 1.592 1.00 0.00 C ATOM 0 H LEU A 28 2.098 6.221 2.064 1.00 0.00 H new ATOM 0 HA LEU A 28 3.986 6.437 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.287 7.168 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.545 7.265 2.604 1.00 0.00 H new ATOM 0 HG LEU A 28 4.948 4.655 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.562 3.688 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.195 4.698 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.354 5.325 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.857 4.209 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.739 5.866 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.166 5.599 2.427 1.00 0.00 H new ATOM 379 N GLN A 29 4.066 8.981 4.441 1.00 0.00 N ATOM 380 CA GLN A 29 3.861 10.395 4.731 1.00 0.00 C ATOM 381 C GLN A 29 5.183 11.154 4.702 1.00 0.00 C ATOM 382 O GLN A 29 6.201 10.665 5.195 1.00 0.00 O ATOM 383 CB GLN A 29 3.191 10.565 6.096 1.00 0.00 C ATOM 384 CG GLN A 29 1.763 10.047 6.141 1.00 0.00 C ATOM 385 CD GLN A 29 1.188 10.042 7.544 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.257 11.043 8.259 1.00 0.00 O ATOM 387 NE2 GLN A 29 0.616 8.913 7.946 1.00 0.00 N ATOM 0 H GLN A 29 4.857 8.560 4.929 1.00 0.00 H new ATOM 0 HA GLN A 29 3.210 10.808 3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.782 10.043 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.194 11.622 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.136 10.664 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.735 9.035 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.581 8.108 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.211 8.851 8.880 1.00 0.00 H new ATOM 396 N CYS A 30 5.161 12.349 4.123 1.00 0.00 N ATOM 397 CA CYS A 30 6.359 13.175 4.029 1.00 0.00 C ATOM 398 C CYS A 30 6.011 14.655 4.156 1.00 0.00 C ATOM 399 O CYS A 30 5.013 15.116 3.605 1.00 0.00 O ATOM 400 CB CYS A 30 7.077 12.920 2.703 1.00 0.00 C ATOM 401 SG CYS A 30 6.304 13.723 1.279 1.00 0.00 S ATOM 0 H CYS A 30 4.327 12.768 3.712 1.00 0.00 H new ATOM 0 HA CYS A 30 7.022 12.904 4.851 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.107 13.267 2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.116 11.846 2.524 1.00 0.00 H new ATOM 0 HG CYS A 30 5.428 14.590 1.692 1.00 0.00 H new ATOM 407 N GLU A 31 6.840 15.392 4.889 1.00 0.00 N ATOM 408 CA GLU A 31 6.617 16.819 5.090 1.00 0.00 C ATOM 409 C GLU A 31 7.507 17.644 4.166 1.00 0.00 C ATOM 410 O GLU A 31 8.480 17.137 3.605 1.00 0.00 O ATOM 411 CB GLU A 31 6.886 17.199 6.548 1.00 0.00 C ATOM 412 CG GLU A 31 6.066 18.384 7.029 1.00 0.00 C ATOM 413 CD GLU A 31 5.764 18.320 8.513 1.00 0.00 C ATOM 414 OE1 GLU A 31 4.745 17.703 8.886 1.00 0.00 O ATOM 415 OE2 GLU A 31 6.548 18.888 9.303 1.00 0.00 O ATOM 0 H GLU A 31 7.671 15.025 5.353 1.00 0.00 H new ATOM 0 HA GLU A 31 5.576 17.035 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.674 16.339 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.945 17.429 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.605 19.306 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.129 18.423 6.473 1.00 0.00 H new ATOM 422 N LEU A 32 7.167 18.919 4.010 1.00 0.00 N ATOM 423 CA LEU A 32 7.934 19.816 3.153 1.00 0.00 C ATOM 424 C LEU A 32 8.078 21.192 3.795 1.00 0.00 C ATOM 425 O LEU A 32 7.309 21.557 4.685 1.00 0.00 O ATOM 426 CB LEU A 32 7.260 19.948 1.786 1.00 0.00 C ATOM 427 CG LEU A 32 7.155 18.663 0.963 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.067 18.792 -0.092 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.493 18.335 0.315 1.00 0.00 C ATOM 0 H LEU A 32 6.365 19.355 4.466 1.00 0.00 H new ATOM 0 HA LEU A 32 8.929 19.390 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.255 20.343 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.810 20.686 1.202 1.00 0.00 H new ATOM 0 HG LEU A 32 6.887 17.846 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.007 17.868 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.109 18.980 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.304 19.621 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.400 17.418 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.789 19.153 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.248 18.199 1.089 1.00 0.00 H new ATOM 441 N SER A 33 9.067 21.953 3.338 1.00 0.00 N ATOM 442 CA SER A 33 9.313 23.288 3.869 1.00 0.00 C ATOM 443 C SER A 33 8.172 24.235 3.509 1.00 0.00 C ATOM 444 O SER A 33 7.880 25.180 4.241 1.00 0.00 O ATOM 445 CB SER A 33 10.636 23.838 3.332 1.00 0.00 C ATOM 446 OG SER A 33 10.965 25.070 3.950 1.00 0.00 O ATOM 0 H SER A 33 9.711 21.667 2.601 1.00 0.00 H new ATOM 0 HA SER A 33 9.372 23.215 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.432 23.115 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.565 23.976 2.253 1.00 0.00 H new ATOM 0 HG SER A 33 11.815 25.399 3.591 1.00 0.00 H new ATOM 452 N LYS A 34 7.531 23.973 2.376 1.00 0.00 N ATOM 453 CA LYS A 34 6.420 24.800 1.916 1.00 0.00 C ATOM 454 C LYS A 34 5.636 24.093 0.815 1.00 0.00 C ATOM 455 O LYS A 34 6.115 23.128 0.219 1.00 0.00 O ATOM 456 CB LYS A 34 6.937 26.147 1.406 1.00 0.00 C ATOM 457 CG LYS A 34 7.996 26.021 0.324 1.00 0.00 C ATOM 458 CD LYS A 34 8.152 27.316 -0.456 1.00 0.00 C ATOM 459 CE LYS A 34 8.769 27.071 -1.824 1.00 0.00 C ATOM 460 NZ LYS A 34 10.257 27.054 -1.767 1.00 0.00 N ATOM 0 H LYS A 34 7.761 23.195 1.758 1.00 0.00 H new ATOM 0 HA LYS A 34 5.752 24.971 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.099 26.725 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.350 26.709 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.950 25.751 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.727 25.214 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.178 27.790 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.777 28.009 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.410 26.121 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.441 27.848 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.641 27.020 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.596 27.913 -1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.575 26.216 -1.239 1.00 0.00 H new ATOM 474 N VAL A 35 4.429 24.582 0.549 1.00 0.00 N ATOM 475 CA VAL A 35 3.579 23.999 -0.483 1.00 0.00 C ATOM 476 C VAL A 35 4.284 23.989 -1.835 1.00 0.00 C ATOM 477 O VAL A 35 4.562 25.042 -2.409 1.00 0.00 O ATOM 478 CB VAL A 35 2.250 24.766 -0.615 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.463 24.268 -1.818 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.431 24.634 0.660 1.00 0.00 C ATOM 0 H VAL A 35 4.018 25.380 1.033 1.00 0.00 H new ATOM 0 HA VAL A 35 3.369 22.974 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 35 2.473 25.822 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.527 24.822 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.050 24.419 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.248 23.206 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.495 25.182 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.216 23.582 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.994 25.043 1.498 1.00 0.00 H new ATOM 490 N ALA A 36 4.569 22.793 -2.339 1.00 0.00 N ATOM 491 CA ALA A 36 5.240 22.646 -3.625 1.00 0.00 C ATOM 492 C ALA A 36 4.890 21.313 -4.277 1.00 0.00 C ATOM 493 O ALA A 36 4.651 20.309 -3.605 1.00 0.00 O ATOM 494 CB ALA A 36 6.746 22.772 -3.452 1.00 0.00 C ATOM 0 H ALA A 36 4.346 21.912 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 36 4.893 23.444 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.234 22.660 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.984 23.751 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.101 21.995 -2.775 1.00 0.00 H new ATOM 500 N PRO A 37 4.857 21.300 -5.618 1.00 0.00 N ATOM 501 CA PRO A 37 4.536 20.096 -6.390 1.00 0.00 C ATOM 502 C PRO A 37 5.638 19.045 -6.309 1.00 0.00 C ATOM 503 O PRO A 37 6.795 19.317 -6.632 1.00 0.00 O ATOM 504 CB PRO A 37 4.400 20.619 -7.822 1.00 0.00 C ATOM 505 CG PRO A 37 5.234 21.853 -7.856 1.00 0.00 C ATOM 506 CD PRO A 37 5.131 22.460 -6.483 1.00 0.00 C ATOM 0 HA PRO A 37 3.641 19.599 -6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.751 19.884 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.360 20.837 -8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.269 21.618 -8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.875 22.546 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.053 22.966 -6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.332 23.199 -6.429 1.00 0.00 H new ATOM 514 N VAL A 38 5.273 17.843 -5.877 1.00 0.00 N ATOM 515 CA VAL A 38 6.230 16.750 -5.755 1.00 0.00 C ATOM 516 C VAL A 38 5.934 15.645 -6.762 1.00 0.00 C ATOM 517 O VAL A 38 4.999 15.749 -7.555 1.00 0.00 O ATOM 518 CB VAL A 38 6.222 16.152 -4.336 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.262 17.256 -3.290 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.002 15.265 -4.139 1.00 0.00 C ATOM 0 H VAL A 38 4.320 17.601 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 38 7.215 17.169 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 38 7.114 15.537 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.256 16.814 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.169 17.847 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.390 17.900 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.012 14.851 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.096 15.855 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.022 14.453 -4.865 1.00 0.00 H new ATOM 530 N GLU A 39 6.736 14.585 -6.724 1.00 0.00 N ATOM 531 CA GLU A 39 6.559 13.460 -7.634 1.00 0.00 C ATOM 532 C GLU A 39 7.153 12.184 -7.044 1.00 0.00 C ATOM 533 O GLU A 39 8.357 12.104 -6.798 1.00 0.00 O ATOM 534 CB GLU A 39 7.210 13.762 -8.986 1.00 0.00 C ATOM 535 CG GLU A 39 7.246 12.567 -9.924 1.00 0.00 C ATOM 536 CD GLU A 39 8.244 12.741 -11.053 1.00 0.00 C ATOM 537 OE1 GLU A 39 9.422 12.376 -10.865 1.00 0.00 O ATOM 538 OE2 GLU A 39 7.845 13.244 -12.124 1.00 0.00 O ATOM 0 H GLU A 39 7.514 14.482 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 39 5.490 13.308 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.667 14.575 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.228 14.113 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.498 11.672 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.252 12.409 -10.344 1.00 0.00 H new ATOM 545 N TRP A 40 6.301 11.191 -6.820 1.00 0.00 N ATOM 546 CA TRP A 40 6.741 9.919 -6.259 1.00 0.00 C ATOM 547 C TRP A 40 7.409 9.056 -7.323 1.00 0.00 C ATOM 548 O TRP A 40 7.079 9.144 -8.506 1.00 0.00 O ATOM 549 CB TRP A 40 5.555 9.170 -5.648 1.00 0.00 C ATOM 550 CG TRP A 40 4.829 9.960 -4.602 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.001 11.027 -4.808 1.00 0.00 C ATOM 552 CD2 TRP A 40 4.867 9.747 -3.187 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.523 11.490 -3.606 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.038 10.721 -2.596 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.519 8.827 -2.361 1.00 0.00 C ATOM 556 CZ2 TRP A 40 3.847 10.799 -1.219 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.328 8.906 -0.995 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.497 9.886 -0.435 1.00 0.00 C ATOM 0 H TRP A 40 5.302 11.242 -7.018 1.00 0.00 H new ATOM 0 HA TRP A 40 7.471 10.129 -5.477 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.856 8.902 -6.441 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.911 8.238 -5.208 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.758 11.445 -5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.888 12.279 -3.485 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.161 8.068 -2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.208 11.554 -0.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.828 8.201 -0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.367 9.921 0.637 1.00 0.00 H new ATOM 569 N LYS A 41 8.351 8.221 -6.897 1.00 0.00 N ATOM 570 CA LYS A 41 9.065 7.340 -7.813 1.00 0.00 C ATOM 571 C LYS A 41 9.351 5.992 -7.160 1.00 0.00 C ATOM 572 O LYS A 41 9.446 5.890 -5.936 1.00 0.00 O ATOM 573 CB LYS A 41 10.376 7.990 -8.260 1.00 0.00 C ATOM 574 CG LYS A 41 10.227 8.884 -9.480 1.00 0.00 C ATOM 575 CD LYS A 41 11.503 8.918 -10.305 1.00 0.00 C ATOM 576 CE LYS A 41 11.534 10.123 -11.232 1.00 0.00 C ATOM 577 NZ LYS A 41 11.879 11.375 -10.503 1.00 0.00 N ATOM 0 H LYS A 41 8.638 8.136 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 41 8.432 7.174 -8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.780 8.578 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.103 7.208 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.403 8.525 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.971 9.895 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.367 8.946 -9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.582 8.003 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.262 9.952 -12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.562 10.238 -11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.140 12.088 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.946 11.176 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.792 11.736 -10.846 1.00 0.00 H new ATOM 591 N LYS A 42 9.489 4.958 -7.983 1.00 0.00 N ATOM 592 CA LYS A 42 9.767 3.616 -7.486 1.00 0.00 C ATOM 593 C LYS A 42 11.046 3.060 -8.106 1.00 0.00 C ATOM 594 O LYS A 42 11.325 1.866 -8.011 1.00 0.00 O ATOM 595 CB LYS A 42 8.593 2.683 -7.792 1.00 0.00 C ATOM 596 CG LYS A 42 8.869 1.227 -7.457 1.00 0.00 C ATOM 597 CD LYS A 42 7.581 0.446 -7.263 1.00 0.00 C ATOM 598 CE LYS A 42 7.847 -1.048 -7.150 1.00 0.00 C ATOM 599 NZ LYS A 42 6.644 -1.792 -6.682 1.00 0.00 N ATOM 0 H LYS A 42 9.413 5.024 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 42 9.904 3.677 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.719 3.017 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.343 2.763 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.454 0.773 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.471 1.169 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.074 0.796 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.910 0.635 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.159 -1.436 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.672 -1.219 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.638 -2.743 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.668 -1.873 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.786 -1.280 -6.970 1.00 0.00 H new ATOM 613 N GLY A 43 11.820 3.936 -8.740 1.00 0.00 N ATOM 614 CA GLY A 43 13.060 3.514 -9.365 1.00 0.00 C ATOM 615 C GLY A 43 13.418 4.358 -10.571 1.00 0.00 C ATOM 616 O GLY A 43 13.228 5.575 -10.583 1.00 0.00 O ATOM 0 H GLY A 43 11.610 4.930 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.868 3.568 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.974 2.471 -9.668 1.00 0.00 H new ATOM 620 N PRO A 44 13.952 3.708 -11.616 1.00 0.00 N ATOM 621 CA PRO A 44 14.351 4.389 -12.852 1.00 0.00 C ATOM 622 C PRO A 44 13.152 4.889 -13.651 1.00 0.00 C ATOM 623 O PRO A 44 13.307 5.434 -14.743 1.00 0.00 O ATOM 624 CB PRO A 44 15.096 3.302 -13.630 1.00 0.00 C ATOM 625 CG PRO A 44 14.539 2.019 -13.118 1.00 0.00 C ATOM 626 CD PRO A 44 14.208 2.259 -11.671 1.00 0.00 C ATOM 0 HA PRO A 44 14.950 5.277 -12.653 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.935 3.403 -14.703 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.171 3.362 -13.462 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.651 1.728 -13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.262 1.210 -13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.336 1.685 -11.357 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.031 1.971 -11.017 1.00 0.00 H new ATOM 634 N GLU A 45 11.958 4.699 -13.098 1.00 0.00 N ATOM 635 CA GLU A 45 10.733 5.131 -13.761 1.00 0.00 C ATOM 636 C GLU A 45 10.016 6.198 -12.938 1.00 0.00 C ATOM 637 O GLU A 45 10.335 6.415 -11.769 1.00 0.00 O ATOM 638 CB GLU A 45 9.803 3.938 -13.991 1.00 0.00 C ATOM 639 CG GLU A 45 10.025 3.240 -15.322 1.00 0.00 C ATOM 640 CD GLU A 45 9.588 1.788 -15.299 1.00 0.00 C ATOM 641 OE1 GLU A 45 9.531 1.203 -14.197 1.00 0.00 O ATOM 642 OE2 GLU A 45 9.303 1.237 -16.383 1.00 0.00 O ATOM 0 H GLU A 45 11.813 4.249 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 45 11.004 5.562 -14.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.944 3.218 -13.185 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.769 4.279 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.476 3.769 -16.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.082 3.293 -15.584 1.00 0.00 H new ATOM 649 N THR A 46 9.045 6.862 -13.558 1.00 0.00 N ATOM 650 CA THR A 46 8.284 7.907 -12.885 1.00 0.00 C ATOM 651 C THR A 46 6.848 7.463 -12.630 1.00 0.00 C ATOM 652 O THR A 46 6.227 6.819 -13.476 1.00 0.00 O ATOM 653 CB THR A 46 8.269 9.209 -13.708 1.00 0.00 C ATOM 654 OG1 THR A 46 9.547 9.418 -14.319 1.00 0.00 O ATOM 655 CG2 THR A 46 7.921 10.400 -12.829 1.00 0.00 C ATOM 0 H THR A 46 8.767 6.694 -14.525 1.00 0.00 H new ATOM 0 HA THR A 46 8.778 8.095 -11.932 1.00 0.00 H new ATOM 0 HB THR A 46 7.508 9.114 -14.483 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.528 10.247 -14.842 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.916 11.308 -13.432 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.935 10.252 -12.389 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.662 10.495 -12.035 1.00 0.00 H new ATOM 663 N LEU A 47 6.326 7.812 -11.459 1.00 0.00 N ATOM 664 CA LEU A 47 4.961 7.450 -11.093 1.00 0.00 C ATOM 665 C LEU A 47 4.083 8.692 -10.969 1.00 0.00 C ATOM 666 O LEU A 47 4.583 9.801 -10.782 1.00 0.00 O ATOM 667 CB LEU A 47 4.955 6.674 -9.775 1.00 0.00 C ATOM 668 CG LEU A 47 5.761 5.375 -9.757 1.00 0.00 C ATOM 669 CD1 LEU A 47 6.322 5.114 -8.367 1.00 0.00 C ATOM 670 CD2 LEU A 47 4.901 4.207 -10.216 1.00 0.00 C ATOM 0 H LEU A 47 6.827 8.345 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 47 4.555 6.818 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.338 7.327 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.922 6.440 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 47 6.596 5.478 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.893 4.185 -8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.974 5.938 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.502 5.031 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.491 3.291 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.045 4.101 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.550 4.391 -11.231 1.00 0.00 H new ATOM 682 N ARG A 48 2.773 8.496 -11.072 1.00 0.00 N ATOM 683 CA ARG A 48 1.825 9.600 -10.971 1.00 0.00 C ATOM 684 C ARG A 48 0.481 9.115 -10.435 1.00 0.00 C ATOM 685 O ARG A 48 -0.001 8.048 -10.815 1.00 0.00 O ATOM 686 CB ARG A 48 1.633 10.262 -12.337 1.00 0.00 C ATOM 687 CG ARG A 48 2.926 10.765 -12.957 1.00 0.00 C ATOM 688 CD ARG A 48 3.426 12.021 -12.260 1.00 0.00 C ATOM 689 NE ARG A 48 2.449 13.106 -12.319 1.00 0.00 N ATOM 690 CZ ARG A 48 2.539 14.215 -11.594 1.00 0.00 C ATOM 691 NH1 ARG A 48 3.555 14.386 -10.760 1.00 0.00 N ATOM 692 NH2 ARG A 48 1.610 15.157 -11.704 1.00 0.00 N ATOM 0 H ARG A 48 2.343 7.584 -11.225 1.00 0.00 H new ATOM 0 HA ARG A 48 2.232 10.333 -10.274 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.169 9.547 -13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.941 11.098 -12.232 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.687 9.987 -12.897 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.767 10.974 -14.015 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.651 11.792 -11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.357 12.346 -12.723 1.00 0.00 H new ATOM 0 HE ARG A 48 1.655 13.006 -12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.271 13.665 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.621 15.239 -10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.827 15.029 -12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.679 16.009 -11.147 1.00 0.00 H new ATOM 706 N ASP A 49 -0.117 9.905 -9.551 1.00 0.00 N ATOM 707 CA ASP A 49 -1.406 9.557 -8.963 1.00 0.00 C ATOM 708 C ASP A 49 -2.405 9.156 -10.044 1.00 0.00 C ATOM 709 O ASP A 49 -2.799 9.974 -10.874 1.00 0.00 O ATOM 710 CB ASP A 49 -1.955 10.733 -8.154 1.00 0.00 C ATOM 711 CG ASP A 49 -3.459 10.661 -7.976 1.00 0.00 C ATOM 712 OD1 ASP A 49 -4.180 10.720 -8.994 1.00 0.00 O ATOM 713 OD2 ASP A 49 -3.915 10.547 -6.819 1.00 0.00 O ATOM 0 H ASP A 49 0.270 10.791 -9.225 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.257 8.707 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.477 10.751 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.695 11.666 -8.653 1.00 0.00 H new ATOM 718 N GLY A 50 -2.812 7.890 -10.026 1.00 0.00 N ATOM 719 CA GLY A 50 -3.761 7.402 -11.010 1.00 0.00 C ATOM 720 C GLY A 50 -3.839 5.889 -11.038 1.00 0.00 C ATOM 721 O GLY A 50 -4.864 5.307 -10.685 1.00 0.00 O ATOM 0 H GLY A 50 -2.502 7.194 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.748 7.810 -10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.476 7.767 -11.997 1.00 0.00 H new ATOM 725 N GLY A 51 -2.754 5.249 -11.462 1.00 0.00 N ATOM 726 CA GLY A 51 -2.726 3.800 -11.530 1.00 0.00 C ATOM 727 C GLY A 51 -2.892 3.152 -10.169 1.00 0.00 C ATOM 728 O GLY A 51 -3.823 3.475 -9.431 1.00 0.00 O ATOM 0 H GLY A 51 -1.893 5.708 -11.760 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.520 3.455 -12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.782 3.478 -11.969 1.00 0.00 H new ATOM 732 N ARG A 52 -1.989 2.235 -9.837 1.00 0.00 N ATOM 733 CA ARG A 52 -2.043 1.539 -8.558 1.00 0.00 C ATOM 734 C ARG A 52 -1.377 2.366 -7.461 1.00 0.00 C ATOM 735 O ARG A 52 -0.720 1.823 -6.573 1.00 0.00 O ATOM 736 CB ARG A 52 -1.361 0.174 -8.667 1.00 0.00 C ATOM 737 CG ARG A 52 -2.130 -0.825 -9.516 1.00 0.00 C ATOM 738 CD ARG A 52 -3.358 -1.347 -8.787 1.00 0.00 C ATOM 739 NE ARG A 52 -4.491 -0.432 -8.899 1.00 0.00 N ATOM 740 CZ ARG A 52 -5.620 -0.574 -8.214 1.00 0.00 C ATOM 741 NH1 ARG A 52 -5.766 -1.587 -7.371 1.00 0.00 N ATOM 742 NH2 ARG A 52 -6.607 0.300 -8.371 1.00 0.00 N ATOM 0 H ARG A 52 -1.212 1.957 -10.436 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.091 1.394 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.366 0.307 -9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.229 -0.238 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.434 -0.353 -10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.479 -1.659 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.635 -2.319 -9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.118 -1.499 -7.735 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.411 0.359 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.010 -2.260 -7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.634 -1.693 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.498 1.081 -9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.474 0.190 -7.845 1.00 0.00 H new ATOM 756 N TYR A 53 -1.551 3.681 -7.531 1.00 0.00 N ATOM 757 CA TYR A 53 -0.966 4.582 -6.546 1.00 0.00 C ATOM 758 C TYR A 53 -1.873 5.784 -6.299 1.00 0.00 C ATOM 759 O TYR A 53 -2.197 6.531 -7.222 1.00 0.00 O ATOM 760 CB TYR A 53 0.411 5.057 -7.013 1.00 0.00 C ATOM 761 CG TYR A 53 1.376 3.928 -7.299 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.814 3.089 -6.281 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.850 3.701 -8.585 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.696 2.057 -6.537 1.00 0.00 C ATOM 765 CE2 TYR A 53 2.731 2.671 -8.850 1.00 0.00 C ATOM 766 CZ TYR A 53 3.152 1.852 -7.823 1.00 0.00 C ATOM 767 OH TYR A 53 4.030 0.825 -8.082 1.00 0.00 O ATOM 0 H TYR A 53 -2.092 4.146 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.857 4.034 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.292 5.659 -7.914 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.840 5.706 -6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.459 3.247 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.524 4.341 -9.391 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.027 1.414 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.088 2.508 -9.856 1.00 0.00 H new ATOM 0 HH TYR A 53 4.252 0.817 -9.037 1.00 0.00 H new ATOM 777 N SER A 54 -2.280 5.962 -5.046 1.00 0.00 N ATOM 778 CA SER A 54 -3.153 7.071 -4.677 1.00 0.00 C ATOM 779 C SER A 54 -2.387 8.123 -3.881 1.00 0.00 C ATOM 780 O SER A 54 -2.225 8.004 -2.666 1.00 0.00 O ATOM 781 CB SER A 54 -4.341 6.561 -3.859 1.00 0.00 C ATOM 782 OG SER A 54 -5.410 6.168 -4.702 1.00 0.00 O ATOM 0 H SER A 54 -2.020 5.353 -4.270 1.00 0.00 H new ATOM 0 HA SER A 54 -3.522 7.532 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.028 5.716 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.679 7.342 -3.178 1.00 0.00 H new ATOM 0 HG SER A 54 -6.208 5.997 -4.160 1.00 0.00 H new ATOM 788 N LEU A 55 -1.917 9.154 -4.575 1.00 0.00 N ATOM 789 CA LEU A 55 -1.168 10.230 -3.934 1.00 0.00 C ATOM 790 C LEU A 55 -2.087 11.391 -3.569 1.00 0.00 C ATOM 791 O LEU A 55 -2.775 11.946 -4.426 1.00 0.00 O ATOM 792 CB LEU A 55 -0.051 10.719 -4.857 1.00 0.00 C ATOM 793 CG LEU A 55 0.645 9.646 -5.695 1.00 0.00 C ATOM 794 CD1 LEU A 55 1.146 10.234 -7.006 1.00 0.00 C ATOM 795 CD2 LEU A 55 1.794 9.022 -4.916 1.00 0.00 C ATOM 0 H LEU A 55 -2.041 9.268 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.728 9.838 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.466 11.467 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.701 11.222 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.080 8.865 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.639 9.456 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.304 10.633 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.855 11.035 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.277 8.261 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.519 9.793 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.409 8.564 -4.005 1.00 0.00 H new ATOM 807 N LYS A 56 -2.092 11.756 -2.291 1.00 0.00 N ATOM 808 CA LYS A 56 -2.923 12.853 -1.812 1.00 0.00 C ATOM 809 C LYS A 56 -2.068 13.950 -1.186 1.00 0.00 C ATOM 810 O LYS A 56 -1.327 13.705 -0.235 1.00 0.00 O ATOM 811 CB LYS A 56 -3.941 12.341 -0.790 1.00 0.00 C ATOM 812 CG LYS A 56 -4.836 13.431 -0.225 1.00 0.00 C ATOM 813 CD LYS A 56 -5.871 12.862 0.732 1.00 0.00 C ATOM 814 CE LYS A 56 -7.141 12.454 0.000 1.00 0.00 C ATOM 815 NZ LYS A 56 -8.053 13.611 -0.213 1.00 0.00 N ATOM 0 H LYS A 56 -1.529 11.307 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.454 13.273 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.563 11.579 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.409 11.858 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.227 14.171 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.340 13.949 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.454 11.998 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.111 13.604 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.880 12.015 -0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.659 11.684 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.907 13.292 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.322 14.015 0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.568 14.335 -0.780 1.00 0.00 H new ATOM 829 N GLN A 57 -2.176 15.160 -1.727 1.00 0.00 N ATOM 830 CA GLN A 57 -1.412 16.294 -1.220 1.00 0.00 C ATOM 831 C GLN A 57 -2.266 17.156 -0.296 1.00 0.00 C ATOM 832 O GLN A 57 -3.404 17.493 -0.622 1.00 0.00 O ATOM 833 CB GLN A 57 -0.883 17.138 -2.380 1.00 0.00 C ATOM 834 CG GLN A 57 -0.258 18.453 -1.940 1.00 0.00 C ATOM 835 CD GLN A 57 0.798 18.950 -2.908 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.539 19.102 -4.102 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.996 19.206 -2.397 1.00 0.00 N ATOM 0 H GLN A 57 -2.785 15.380 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.569 15.906 -0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.142 16.559 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.701 17.347 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.039 19.207 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.189 18.326 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.166 19.066 -1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.746 19.543 -3.000 1.00 0.00 H new ATOM 846 N ASP A 58 -1.709 17.509 0.857 1.00 0.00 N ATOM 847 CA ASP A 58 -2.420 18.333 1.829 1.00 0.00 C ATOM 848 C ASP A 58 -1.552 19.500 2.289 1.00 0.00 C ATOM 849 O ASP A 58 -1.113 19.545 3.438 1.00 0.00 O ATOM 850 CB ASP A 58 -2.842 17.489 3.033 1.00 0.00 C ATOM 851 CG ASP A 58 -4.076 16.655 2.750 1.00 0.00 C ATOM 852 OD1 ASP A 58 -3.980 15.706 1.944 1.00 0.00 O ATOM 853 OD2 ASP A 58 -5.138 16.950 3.337 1.00 0.00 O ATOM 0 H ASP A 58 -0.768 17.238 1.142 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.311 18.734 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.020 16.832 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.036 18.144 3.882 1.00 0.00 H new ATOM 858 N GLY A 59 -1.307 20.442 1.384 1.00 0.00 N ATOM 859 CA GLY A 59 -0.492 21.596 1.716 1.00 0.00 C ATOM 860 C GLY A 59 0.990 21.280 1.707 1.00 0.00 C ATOM 861 O GLY A 59 1.587 21.093 0.646 1.00 0.00 O ATOM 0 H GLY A 59 -1.658 20.427 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.694 22.397 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.776 21.966 2.701 1.00 0.00 H new ATOM 865 N THR A 60 1.589 21.222 2.893 1.00 0.00 N ATOM 866 CA THR A 60 3.011 20.929 3.018 1.00 0.00 C ATOM 867 C THR A 60 3.242 19.467 3.382 1.00 0.00 C ATOM 868 O THR A 60 4.244 19.125 4.010 1.00 0.00 O ATOM 869 CB THR A 60 3.677 21.823 4.080 1.00 0.00 C ATOM 870 OG1 THR A 60 2.871 21.862 5.263 1.00 0.00 O ATOM 871 CG2 THR A 60 3.878 23.235 3.551 1.00 0.00 C ATOM 0 H THR A 60 1.110 21.374 3.781 1.00 0.00 H new ATOM 0 HA THR A 60 3.462 21.133 2.047 1.00 0.00 H new ATOM 0 HB THR A 60 4.653 21.399 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.302 22.431 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.350 23.848 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.516 23.205 2.668 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.912 23.665 3.286 1.00 0.00 H new ATOM 879 N ARG A 61 2.309 18.609 2.985 1.00 0.00 N ATOM 880 CA ARG A 61 2.411 17.183 3.271 1.00 0.00 C ATOM 881 C ARG A 61 1.824 16.356 2.131 1.00 0.00 C ATOM 882 O ARG A 61 0.978 16.835 1.375 1.00 0.00 O ATOM 883 CB ARG A 61 1.691 16.850 4.579 1.00 0.00 C ATOM 884 CG ARG A 61 2.472 17.247 5.822 1.00 0.00 C ATOM 885 CD ARG A 61 1.582 17.271 7.055 1.00 0.00 C ATOM 886 NE ARG A 61 2.329 16.974 8.274 1.00 0.00 N ATOM 887 CZ ARG A 61 2.655 15.743 8.654 1.00 0.00 C ATOM 888 NH1 ARG A 61 2.303 14.702 7.914 1.00 0.00 N ATOM 889 NH2 ARG A 61 3.336 15.553 9.778 1.00 0.00 N ATOM 0 H ARG A 61 1.474 18.876 2.464 1.00 0.00 H new ATOM 0 HA ARG A 61 3.467 16.934 3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.725 17.354 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.492 15.779 4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.292 16.546 5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.918 18.231 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.115 18.252 7.146 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.778 16.545 6.936 1.00 0.00 H new ATOM 0 HE ARG A 61 2.616 17.754 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.780 14.844 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.555 13.758 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.609 16.352 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.586 14.608 10.069 1.00 0.00 H new ATOM 903 N CYS A 62 2.279 15.114 2.013 1.00 0.00 N ATOM 904 CA CYS A 62 1.800 14.220 0.964 1.00 0.00 C ATOM 905 C CYS A 62 1.609 12.805 1.500 1.00 0.00 C ATOM 906 O CYS A 62 2.421 12.314 2.283 1.00 0.00 O ATOM 907 CB CYS A 62 2.780 14.206 -0.210 1.00 0.00 C ATOM 908 SG CYS A 62 2.946 15.797 -1.052 1.00 0.00 S ATOM 0 H CYS A 62 2.979 14.703 2.630 1.00 0.00 H new ATOM 0 HA CYS A 62 0.835 14.591 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.760 13.895 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.455 13.457 -0.932 1.00 0.00 H new ATOM 0 HG CYS A 62 2.131 16.657 -0.518 1.00 0.00 H new ATOM 914 N GLU A 63 0.529 12.157 1.074 1.00 0.00 N ATOM 915 CA GLU A 63 0.231 10.799 1.514 1.00 0.00 C ATOM 916 C GLU A 63 0.124 9.852 0.322 1.00 0.00 C ATOM 917 O GLU A 63 -0.815 9.937 -0.471 1.00 0.00 O ATOM 918 CB GLU A 63 -1.071 10.774 2.318 1.00 0.00 C ATOM 919 CG GLU A 63 -1.619 9.375 2.544 1.00 0.00 C ATOM 920 CD GLU A 63 -3.019 9.385 3.128 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.969 9.716 2.389 1.00 0.00 O ATOM 922 OE2 GLU A 63 -3.163 9.061 4.326 1.00 0.00 O ATOM 0 H GLU A 63 -0.153 12.550 0.426 1.00 0.00 H new ATOM 0 HA GLU A 63 1.049 10.463 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.901 11.249 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.821 11.369 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.628 8.835 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.953 8.832 3.215 1.00 0.00 H new ATOM 929 N LEU A 64 1.092 8.951 0.202 1.00 0.00 N ATOM 930 CA LEU A 64 1.109 7.987 -0.893 1.00 0.00 C ATOM 931 C LEU A 64 0.409 6.693 -0.490 1.00 0.00 C ATOM 932 O LEU A 64 0.598 6.193 0.618 1.00 0.00 O ATOM 933 CB LEU A 64 2.549 7.690 -1.317 1.00 0.00 C ATOM 934 CG LEU A 64 2.791 6.325 -1.960 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.901 6.144 -3.180 1.00 0.00 C ATOM 936 CD2 LEU A 64 4.257 6.167 -2.339 1.00 0.00 C ATOM 0 H LEU A 64 1.876 8.867 0.849 1.00 0.00 H new ATOM 0 HA LEU A 64 0.572 8.423 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.866 8.461 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.190 7.775 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 64 2.538 5.553 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.087 5.166 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.855 6.213 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.122 6.923 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.411 5.189 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.536 6.947 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.875 6.252 -1.445 1.00 0.00 H new ATOM 948 N GLN A 65 -0.399 6.156 -1.399 1.00 0.00 N ATOM 949 CA GLN A 65 -1.126 4.919 -1.138 1.00 0.00 C ATOM 950 C GLN A 65 -0.885 3.901 -2.249 1.00 0.00 C ATOM 951 O GLN A 65 -0.891 4.246 -3.431 1.00 0.00 O ATOM 952 CB GLN A 65 -2.623 5.201 -1.005 1.00 0.00 C ATOM 953 CG GLN A 65 -3.050 5.566 0.408 1.00 0.00 C ATOM 954 CD GLN A 65 -4.319 6.395 0.438 1.00 0.00 C ATOM 955 OE1 GLN A 65 -4.435 7.400 -0.263 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.280 5.977 1.254 1.00 0.00 N ATOM 0 H GLN A 65 -0.566 6.558 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.757 4.501 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.892 6.014 -1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.180 4.322 -1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.203 4.654 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.247 6.120 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.142 5.138 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.156 6.495 1.317 1.00 0.00 H new ATOM 965 N ILE A 66 -0.674 2.649 -1.860 1.00 0.00 N ATOM 966 CA ILE A 66 -0.432 1.582 -2.824 1.00 0.00 C ATOM 967 C ILE A 66 -1.432 0.445 -2.647 1.00 0.00 C ATOM 968 O ILE A 66 -1.231 -0.453 -1.828 1.00 0.00 O ATOM 969 CB ILE A 66 0.996 1.019 -2.693 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.990 2.149 -2.420 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.383 0.259 -3.953 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.355 1.662 -1.986 1.00 0.00 C ATOM 0 H ILE A 66 -0.666 2.348 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.553 2.018 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 66 1.022 0.326 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.098 2.752 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.583 2.801 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.394 -0.133 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.689 -0.567 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.344 0.931 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.007 2.517 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.260 1.083 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.783 1.034 -2.768 1.00 0.00 H new ATOM 984 N HIS A 67 -2.511 0.487 -3.423 1.00 0.00 N ATOM 985 CA HIS A 67 -3.543 -0.541 -3.354 1.00 0.00 C ATOM 986 C HIS A 67 -3.043 -1.853 -3.951 1.00 0.00 C ATOM 987 O HIS A 67 -2.153 -1.860 -4.802 1.00 0.00 O ATOM 988 CB HIS A 67 -4.802 -0.080 -4.089 1.00 0.00 C ATOM 989 CG HIS A 67 -5.406 1.166 -3.519 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.219 1.167 -2.405 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.311 2.457 -3.914 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.598 2.404 -2.140 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.061 3.206 -3.041 1.00 0.00 N ATOM 0 H HIS A 67 -2.693 1.222 -4.107 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.785 -0.708 -2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.558 0.091 -5.138 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.543 -0.879 -4.060 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.750 2.829 -4.759 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.238 2.708 -1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.183 4.218 -3.082 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.620 -2.961 -3.499 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.233 -4.279 -3.989 1.00 0.00 C ATOM 1004 C ASP A 68 -1.749 -4.535 -3.746 1.00 0.00 C ATOM 1005 O ASP A 68 -1.004 -4.857 -4.672 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.548 -4.405 -5.480 1.00 0.00 C ATOM 1007 CG ASP A 68 -5.037 -4.374 -5.762 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -5.729 -3.501 -5.198 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -5.511 -5.223 -6.546 1.00 0.00 O ATOM 0 H ASP A 68 -4.357 -2.973 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.806 -5.026 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.062 -3.593 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.129 -5.337 -5.859 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.326 -4.389 -2.495 1.00 0.00 N ATOM 1015 CA LEU A 69 0.070 -4.603 -2.130 1.00 0.00 C ATOM 1016 C LEU A 69 0.521 -6.011 -2.504 1.00 0.00 C ATOM 1017 O LEU A 69 -0.302 -6.888 -2.767 1.00 0.00 O ATOM 1018 CB LEU A 69 0.266 -4.374 -0.630 1.00 0.00 C ATOM 1019 CG LEU A 69 0.608 -2.944 -0.209 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.714 -2.845 1.305 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.903 -2.490 -0.867 1.00 0.00 C ATOM 0 H LEU A 69 -1.929 -4.123 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 69 0.678 -3.888 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.646 -4.675 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.061 -5.034 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.195 -2.286 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.958 -1.821 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.237 -3.128 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.497 -3.515 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.131 -1.470 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.715 -3.151 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.791 -2.523 -1.951 1.00 0.00 H new ATOM 1033 N SER A 70 1.833 -6.221 -2.524 1.00 0.00 N ATOM 1034 CA SER A 70 2.394 -7.523 -2.867 1.00 0.00 C ATOM 1035 C SER A 70 3.839 -7.635 -2.391 1.00 0.00 C ATOM 1036 O SER A 70 4.502 -6.628 -2.140 1.00 0.00 O ATOM 1037 CB SER A 70 2.324 -7.750 -4.379 1.00 0.00 C ATOM 1038 OG SER A 70 1.088 -8.335 -4.750 1.00 0.00 O ATOM 0 H SER A 70 2.528 -5.506 -2.307 1.00 0.00 H new ATOM 0 HA SER A 70 1.804 -8.289 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.451 -6.800 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.144 -8.396 -4.691 1.00 0.00 H new ATOM 0 HG SER A 70 0.377 -7.996 -4.166 1.00 0.00 H new ATOM 1044 N VAL A 71 4.321 -8.867 -2.269 1.00 0.00 N ATOM 1045 CA VAL A 71 5.688 -9.113 -1.823 1.00 0.00 C ATOM 1046 C VAL A 71 6.698 -8.501 -2.788 1.00 0.00 C ATOM 1047 O VAL A 71 7.780 -8.078 -2.383 1.00 0.00 O ATOM 1048 CB VAL A 71 5.972 -10.620 -1.688 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.454 -11.144 -0.357 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.353 -11.385 -2.848 1.00 0.00 C ATOM 0 H VAL A 71 3.786 -9.711 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 71 5.792 -8.643 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 71 7.051 -10.772 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.664 -12.211 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.948 -10.617 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.378 -10.980 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.564 -12.449 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.274 -11.227 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.777 -11.028 -3.787 1.00 0.00 H new ATOM 1060 N ALA A 72 6.336 -8.458 -4.066 1.00 0.00 N ATOM 1061 CA ALA A 72 7.210 -7.896 -5.089 1.00 0.00 C ATOM 1062 C ALA A 72 7.202 -6.372 -5.040 1.00 0.00 C ATOM 1063 O ALA A 72 8.170 -5.724 -5.437 1.00 0.00 O ATOM 1064 CB ALA A 72 6.791 -8.384 -6.467 1.00 0.00 C ATOM 0 H ALA A 72 5.444 -8.805 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 72 8.227 -8.235 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.452 -7.957 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.855 -9.472 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.765 -8.074 -6.666 1.00 0.00 H new ATOM 1070 N ASP A 73 6.104 -5.806 -4.552 1.00 0.00 N ATOM 1071 CA ASP A 73 5.970 -4.357 -4.452 1.00 0.00 C ATOM 1072 C ASP A 73 6.847 -3.807 -3.332 1.00 0.00 C ATOM 1073 O ASP A 73 7.157 -2.617 -3.301 1.00 0.00 O ATOM 1074 CB ASP A 73 4.510 -3.974 -4.208 1.00 0.00 C ATOM 1075 CG ASP A 73 3.708 -3.900 -5.492 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.799 -2.869 -6.191 1.00 0.00 O ATOM 1077 OD2 ASP A 73 2.990 -4.875 -5.800 1.00 0.00 O ATOM 0 H ASP A 73 5.293 -6.328 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 73 6.299 -3.920 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.053 -4.704 -3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.470 -3.009 -3.702 1.00 0.00 H new ATOM 1082 N ALA A 74 7.243 -4.682 -2.413 1.00 0.00 N ATOM 1083 CA ALA A 74 8.084 -4.284 -1.291 1.00 0.00 C ATOM 1084 C ALA A 74 9.471 -3.866 -1.767 1.00 0.00 C ATOM 1085 O ALA A 74 10.316 -4.709 -2.067 1.00 0.00 O ATOM 1086 CB ALA A 74 8.191 -5.418 -0.283 1.00 0.00 C ATOM 0 H ALA A 74 6.995 -5.671 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 74 7.619 -3.425 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.822 -5.107 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.198 -5.669 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.630 -6.292 -0.764 1.00 0.00 H new ATOM 1092 N GLY A 75 9.699 -2.558 -1.835 1.00 0.00 N ATOM 1093 CA GLY A 75 10.985 -2.050 -2.277 1.00 0.00 C ATOM 1094 C GLY A 75 11.345 -0.733 -1.620 1.00 0.00 C ATOM 1095 O GLY A 75 11.228 -0.586 -0.404 1.00 0.00 O ATOM 0 H GLY A 75 9.016 -1.841 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.758 -2.786 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.968 -1.920 -3.359 1.00 0.00 H new ATOM 1099 N GLU A 76 11.786 0.228 -2.427 1.00 0.00 N ATOM 1100 CA GLU A 76 12.167 1.539 -1.915 1.00 0.00 C ATOM 1101 C GLU A 76 11.556 2.652 -2.762 1.00 0.00 C ATOM 1102 O GLU A 76 11.919 2.832 -3.925 1.00 0.00 O ATOM 1103 CB GLU A 76 13.690 1.679 -1.891 1.00 0.00 C ATOM 1104 CG GLU A 76 14.167 3.087 -1.578 1.00 0.00 C ATOM 1105 CD GLU A 76 15.677 3.184 -1.480 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.247 2.612 -0.527 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.289 3.831 -2.355 1.00 0.00 O ATOM 0 H GLU A 76 11.888 0.123 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 76 11.785 1.629 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.098 0.993 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.090 1.376 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.813 3.767 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.724 3.416 -0.638 1.00 0.00 H new ATOM 1114 N TYR A 77 10.627 3.395 -2.170 1.00 0.00 N ATOM 1115 CA TYR A 77 9.963 4.488 -2.870 1.00 0.00 C ATOM 1116 C TYR A 77 10.585 5.831 -2.498 1.00 0.00 C ATOM 1117 O TYR A 77 10.635 6.201 -1.326 1.00 0.00 O ATOM 1118 CB TYR A 77 8.469 4.498 -2.544 1.00 0.00 C ATOM 1119 CG TYR A 77 7.747 3.241 -2.973 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.909 2.051 -2.274 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.904 3.242 -4.077 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.253 0.899 -2.662 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.242 2.095 -4.472 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.420 0.927 -3.761 1.00 0.00 C ATOM 1125 OH TYR A 77 5.763 -0.218 -4.152 1.00 0.00 O ATOM 0 H TYR A 77 10.317 3.260 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 77 10.093 4.332 -3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.341 4.632 -1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.006 5.357 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.559 2.026 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.763 4.155 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.391 -0.018 -2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.589 2.113 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 77 6.264 -1.003 -3.847 1.00 0.00 H new ATOM 1135 N SER A 78 11.059 6.556 -3.507 1.00 0.00 N ATOM 1136 CA SER A 78 11.681 7.856 -3.287 1.00 0.00 C ATOM 1137 C SER A 78 10.773 8.982 -3.774 1.00 0.00 C ATOM 1138 O SER A 78 10.070 8.838 -4.775 1.00 0.00 O ATOM 1139 CB SER A 78 13.030 7.928 -4.005 1.00 0.00 C ATOM 1140 OG SER A 78 13.707 6.684 -3.942 1.00 0.00 O ATOM 0 H SER A 78 11.024 6.265 -4.484 1.00 0.00 H new ATOM 0 HA SER A 78 11.840 7.978 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.877 8.210 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.646 8.705 -3.552 1.00 0.00 H new ATOM 0 HG SER A 78 14.566 6.755 -4.409 1.00 0.00 H new ATOM 1146 N CYS A 79 10.794 10.101 -3.059 1.00 0.00 N ATOM 1147 CA CYS A 79 9.973 11.252 -3.417 1.00 0.00 C ATOM 1148 C CYS A 79 10.842 12.472 -3.704 1.00 0.00 C ATOM 1149 O CYS A 79 11.518 12.988 -2.814 1.00 0.00 O ATOM 1150 CB CYS A 79 8.984 11.568 -2.293 1.00 0.00 C ATOM 1151 SG CYS A 79 7.512 12.467 -2.836 1.00 0.00 S ATOM 0 H CYS A 79 11.370 10.236 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 79 9.417 11.004 -4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.674 10.635 -1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.494 12.155 -1.529 1.00 0.00 H new ATOM 0 HG CYS A 79 6.502 11.651 -2.893 1.00 0.00 H new ATOM 1157 N MET A 80 10.820 12.928 -4.952 1.00 0.00 N ATOM 1158 CA MET A 80 11.607 14.087 -5.356 1.00 0.00 C ATOM 1159 C MET A 80 10.762 15.356 -5.322 1.00 0.00 C ATOM 1160 O MET A 80 9.675 15.406 -5.899 1.00 0.00 O ATOM 1161 CB MET A 80 12.178 13.878 -6.760 1.00 0.00 C ATOM 1162 CG MET A 80 12.807 12.510 -6.964 1.00 0.00 C ATOM 1163 SD MET A 80 13.984 12.482 -8.329 1.00 0.00 S ATOM 1164 CE MET A 80 14.361 10.733 -8.416 1.00 0.00 C ATOM 0 H MET A 80 10.266 12.513 -5.701 1.00 0.00 H new ATOM 0 HA MET A 80 12.430 14.200 -4.650 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.381 14.015 -7.491 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.926 14.646 -6.957 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.313 12.207 -6.047 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.022 11.778 -7.152 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.413 10.575 -8.180 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.744 10.192 -7.699 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.156 10.366 -9.422 1.00 0.00 H new ATOM 1174 N CYS A 81 11.268 16.380 -4.642 1.00 0.00 N ATOM 1175 CA CYS A 81 10.558 17.649 -4.531 1.00 0.00 C ATOM 1176 C CYS A 81 11.491 18.821 -4.822 1.00 0.00 C ATOM 1177 O CYS A 81 12.231 19.269 -3.948 1.00 0.00 O ATOM 1178 CB CYS A 81 9.952 17.799 -3.135 1.00 0.00 C ATOM 1179 SG CYS A 81 9.328 19.457 -2.775 1.00 0.00 S ATOM 0 H CYS A 81 12.167 16.356 -4.160 1.00 0.00 H new ATOM 0 HA CYS A 81 9.756 17.654 -5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.137 17.084 -3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.707 17.537 -2.393 1.00 0.00 H new ATOM 0 HG CYS A 81 9.971 19.951 -1.759 1.00 0.00 H new ATOM 1185 N GLY A 82 11.450 19.310 -6.058 1.00 0.00 N ATOM 1186 CA GLY A 82 12.298 20.424 -6.442 1.00 0.00 C ATOM 1187 C GLY A 82 13.761 20.037 -6.526 1.00 0.00 C ATOM 1188 O GLY A 82 14.262 19.710 -7.602 1.00 0.00 O ATOM 0 H GLY A 82 10.846 18.955 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.971 20.809 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.180 21.232 -5.720 1.00 0.00 H new ATOM 1192 N GLN A 83 14.448 20.075 -5.389 1.00 0.00 N ATOM 1193 CA GLN A 83 15.863 19.728 -5.340 1.00 0.00 C ATOM 1194 C GLN A 83 16.111 18.594 -4.351 1.00 0.00 C ATOM 1195 O GLN A 83 16.855 17.657 -4.640 1.00 0.00 O ATOM 1196 CB GLN A 83 16.697 20.950 -4.952 1.00 0.00 C ATOM 1197 CG GLN A 83 18.192 20.753 -5.143 1.00 0.00 C ATOM 1198 CD GLN A 83 18.566 20.491 -6.589 1.00 0.00 C ATOM 1199 OE1 GLN A 83 18.861 21.417 -7.344 1.00 0.00 O ATOM 1200 NE2 GLN A 83 18.555 19.223 -6.982 1.00 0.00 N ATOM 0 H GLN A 83 14.048 20.343 -4.490 1.00 0.00 H new ATOM 0 HA GLN A 83 16.163 19.393 -6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.373 21.804 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.502 21.196 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.719 21.639 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.526 19.917 -4.528 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.304 18.487 -6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.798 18.985 -7.944 1.00 0.00 H new ATOM 1209 N GLU A 84 15.484 18.686 -3.182 1.00 0.00 N ATOM 1210 CA GLU A 84 15.638 17.668 -2.150 1.00 0.00 C ATOM 1211 C GLU A 84 14.882 16.396 -2.524 1.00 0.00 C ATOM 1212 O GLU A 84 14.056 16.397 -3.437 1.00 0.00 O ATOM 1213 CB GLU A 84 15.139 18.194 -0.803 1.00 0.00 C ATOM 1214 CG GLU A 84 16.125 19.117 -0.107 1.00 0.00 C ATOM 1215 CD GLU A 84 16.828 20.054 -1.071 1.00 0.00 C ATOM 1216 OE1 GLU A 84 17.565 19.558 -1.948 1.00 0.00 O ATOM 1217 OE2 GLU A 84 16.641 21.282 -0.947 1.00 0.00 O ATOM 0 H GLU A 84 14.865 19.455 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 84 16.698 17.429 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.201 18.727 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.922 17.349 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.598 19.704 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.869 18.518 0.419 1.00 0.00 H new ATOM 1224 N ARG A 85 15.171 15.312 -1.811 1.00 0.00 N ATOM 1225 CA ARG A 85 14.520 14.033 -2.067 1.00 0.00 C ATOM 1226 C ARG A 85 14.607 13.124 -0.845 1.00 0.00 C ATOM 1227 O ARG A 85 15.521 13.248 -0.029 1.00 0.00 O ATOM 1228 CB ARG A 85 15.159 13.345 -3.275 1.00 0.00 C ATOM 1229 CG ARG A 85 14.667 11.924 -3.497 1.00 0.00 C ATOM 1230 CD ARG A 85 15.485 11.211 -4.563 1.00 0.00 C ATOM 1231 NE ARG A 85 16.865 10.991 -4.137 1.00 0.00 N ATOM 1232 CZ ARG A 85 17.783 10.404 -4.896 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.470 9.980 -6.113 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.017 10.240 -4.438 1.00 0.00 N ATOM 0 H ARG A 85 15.852 15.294 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 85 13.469 14.225 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.955 13.935 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.241 13.330 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.723 11.368 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.618 11.943 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.020 10.253 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.478 11.800 -5.480 1.00 0.00 H new ATOM 0 HE ARG A 85 17.138 11.305 -3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.522 10.104 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.177 9.529 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.261 10.565 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.722 9.789 -5.021 1.00 0.00 H new ATOM 1248 N THR A 86 13.650 12.209 -0.725 1.00 0.00 N ATOM 1249 CA THR A 86 13.617 11.280 0.397 1.00 0.00 C ATOM 1250 C THR A 86 13.270 9.870 -0.066 1.00 0.00 C ATOM 1251 O THR A 86 12.709 9.681 -1.145 1.00 0.00 O ATOM 1252 CB THR A 86 12.598 11.723 1.464 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.351 10.651 2.381 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.291 12.155 0.817 1.00 0.00 C ATOM 0 H THR A 86 12.887 12.092 -1.392 1.00 0.00 H new ATOM 0 HA THR A 86 14.615 11.280 0.836 1.00 0.00 H new ATOM 0 HB THR A 86 13.016 12.573 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.079 10.607 3.036 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.587 12.463 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.478 12.990 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.870 11.321 0.255 1.00 0.00 H new ATOM 1262 N SER A 87 13.606 8.882 0.757 1.00 0.00 N ATOM 1263 CA SER A 87 13.332 7.487 0.430 1.00 0.00 C ATOM 1264 C SER A 87 12.787 6.741 1.644 1.00 0.00 C ATOM 1265 O SER A 87 13.083 7.091 2.786 1.00 0.00 O ATOM 1266 CB SER A 87 14.602 6.801 -0.076 1.00 0.00 C ATOM 1267 OG SER A 87 15.610 6.795 0.920 1.00 0.00 O ATOM 0 H SER A 87 14.068 9.021 1.655 1.00 0.00 H new ATOM 0 HA SER A 87 12.578 7.466 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.373 5.777 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.968 7.316 -0.965 1.00 0.00 H new ATOM 0 HG SER A 87 16.411 6.349 0.572 1.00 0.00 H new ATOM 1273 N ALA A 88 11.988 5.710 1.387 1.00 0.00 N ATOM 1274 CA ALA A 88 11.403 4.913 2.458 1.00 0.00 C ATOM 1275 C ALA A 88 11.149 3.481 1.999 1.00 0.00 C ATOM 1276 O ALA A 88 10.380 3.243 1.067 1.00 0.00 O ATOM 1277 CB ALA A 88 10.110 5.551 2.944 1.00 0.00 C ATOM 0 H ALA A 88 11.731 5.408 0.447 1.00 0.00 H new ATOM 0 HA ALA A 88 12.113 4.882 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.684 4.945 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.317 6.553 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.401 5.612 2.118 1.00 0.00 H new ATOM 1283 N THR A 89 11.800 2.528 2.660 1.00 0.00 N ATOM 1284 CA THR A 89 11.646 1.120 2.319 1.00 0.00 C ATOM 1285 C THR A 89 10.321 0.571 2.835 1.00 0.00 C ATOM 1286 O THR A 89 10.114 0.455 4.044 1.00 0.00 O ATOM 1287 CB THR A 89 12.798 0.274 2.893 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.047 0.712 2.347 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.593 -1.201 2.583 1.00 0.00 C ATOM 0 H THR A 89 12.439 2.707 3.435 1.00 0.00 H new ATOM 0 HA THR A 89 11.664 1.054 1.231 1.00 0.00 H new ATOM 0 HB THR A 89 12.810 0.403 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.774 0.170 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.419 -1.778 2.998 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.656 -1.539 3.025 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.557 -1.344 1.503 1.00 0.00 H new ATOM 1297 N LEU A 90 9.427 0.233 1.913 1.00 0.00 N ATOM 1298 CA LEU A 90 8.120 -0.306 2.275 1.00 0.00 C ATOM 1299 C LEU A 90 8.230 -1.771 2.685 1.00 0.00 C ATOM 1300 O LEU A 90 8.948 -2.551 2.058 1.00 0.00 O ATOM 1301 CB LEU A 90 7.145 -0.163 1.105 1.00 0.00 C ATOM 1302 CG LEU A 90 5.880 -1.018 1.177 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.793 -0.299 1.960 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.391 -1.366 -0.221 1.00 0.00 C ATOM 0 H LEU A 90 9.583 0.322 0.909 1.00 0.00 H new ATOM 0 HA LEU A 90 7.743 0.263 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.848 0.883 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.674 -0.410 0.185 1.00 0.00 H new ATOM 0 HG LEU A 90 6.121 -1.945 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.900 -0.923 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.144 -0.102 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.554 0.644 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.490 -1.975 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.168 -0.449 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.165 -1.923 -0.749 1.00 0.00 H new ATOM 1316 N THR A 91 7.511 -2.140 3.740 1.00 0.00 N ATOM 1317 CA THR A 91 7.526 -3.512 4.233 1.00 0.00 C ATOM 1318 C THR A 91 6.230 -4.235 3.886 1.00 0.00 C ATOM 1319 O THR A 91 5.138 -3.703 4.087 1.00 0.00 O ATOM 1320 CB THR A 91 7.735 -3.558 5.759 1.00 0.00 C ATOM 1321 OG1 THR A 91 8.970 -2.922 6.104 1.00 0.00 O ATOM 1322 CG2 THR A 91 7.741 -4.994 6.260 1.00 0.00 C ATOM 0 H THR A 91 6.911 -1.508 4.270 1.00 0.00 H new ATOM 0 HA THR A 91 8.361 -4.015 3.744 1.00 0.00 H new ATOM 0 HB THR A 91 6.909 -3.027 6.233 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.094 -2.954 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.890 -5.002 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.788 -5.466 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.549 -5.544 5.778 1.00 0.00 H new ATOM 1330 N VAL A 92 6.357 -5.451 3.365 1.00 0.00 N ATOM 1331 CA VAL A 92 5.195 -6.249 2.992 1.00 0.00 C ATOM 1332 C VAL A 92 5.261 -7.640 3.613 1.00 0.00 C ATOM 1333 O VAL A 92 6.136 -8.438 3.279 1.00 0.00 O ATOM 1334 CB VAL A 92 5.075 -6.386 1.463 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.754 -7.040 1.087 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.216 -5.027 0.794 1.00 0.00 C ATOM 0 H VAL A 92 7.254 -5.905 3.192 1.00 0.00 H new ATOM 0 HA VAL A 92 4.317 -5.726 3.372 1.00 0.00 H new ATOM 0 HB VAL A 92 5.883 -7.026 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.687 -7.128 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.698 -8.032 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.929 -6.429 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.129 -5.142 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.431 -4.362 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.190 -4.602 1.036 1.00 0.00 H new ATOM 1346 N ARG A 93 4.329 -7.923 4.517 1.00 0.00 N ATOM 1347 CA ARG A 93 4.282 -9.218 5.185 1.00 0.00 C ATOM 1348 C ARG A 93 3.532 -10.241 4.336 1.00 0.00 C ATOM 1349 O ARG A 93 2.314 -10.158 4.178 1.00 0.00 O ATOM 1350 CB ARG A 93 3.611 -9.086 6.554 1.00 0.00 C ATOM 1351 CG ARG A 93 4.517 -8.496 7.622 1.00 0.00 C ATOM 1352 CD ARG A 93 4.139 -8.991 9.009 1.00 0.00 C ATOM 1353 NE ARG A 93 4.196 -10.448 9.105 1.00 0.00 N ATOM 1354 CZ ARG A 93 3.765 -11.132 10.159 1.00 0.00 C ATOM 1355 NH1 ARG A 93 3.247 -10.496 11.200 1.00 0.00 N ATOM 1356 NH2 ARG A 93 3.851 -12.456 10.172 1.00 0.00 N ATOM 0 H ARG A 93 3.597 -7.273 4.804 1.00 0.00 H new ATOM 0 HA ARG A 93 5.306 -9.565 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.724 -8.460 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.272 -10.070 6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.553 -8.762 7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.455 -7.408 7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.812 -8.553 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.133 -8.651 9.254 1.00 0.00 H new ATOM 0 HE ARG A 93 4.588 -10.968 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.178 -9.478 11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.917 -11.024 12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.248 -12.949 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.520 -12.981 10.982 1.00 0.00 H new ATOM 1370 N ALA A 94 4.268 -11.204 3.791 1.00 0.00 N ATOM 1371 CA ALA A 94 3.674 -12.243 2.960 1.00 0.00 C ATOM 1372 C ALA A 94 2.633 -13.040 3.739 1.00 0.00 C ATOM 1373 O ALA A 94 2.839 -13.376 4.906 1.00 0.00 O ATOM 1374 CB ALA A 94 4.753 -13.167 2.418 1.00 0.00 C ATOM 0 H ALA A 94 5.278 -11.286 3.910 1.00 0.00 H new ATOM 0 HA ALA A 94 3.171 -11.760 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.294 -13.938 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.457 -12.591 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.282 -13.635 3.248 1.00 0.00 H new ATOM 1380 N LEU A 95 1.515 -13.341 3.087 1.00 0.00 N ATOM 1381 CA LEU A 95 0.442 -14.099 3.719 1.00 0.00 C ATOM 1382 C LEU A 95 0.985 -15.359 4.388 1.00 0.00 C ATOM 1383 O LEU A 95 1.983 -15.938 3.958 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.621 -14.475 2.685 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.448 -13.318 2.123 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -2.843 -13.794 1.744 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.526 -12.179 3.129 1.00 0.00 C ATOM 0 H LEU A 95 1.329 -13.071 2.121 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.011 -13.470 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.129 -14.981 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.302 -15.195 3.138 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.955 -12.948 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.417 -12.957 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.768 -14.575 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.344 -14.191 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.118 -11.365 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.995 -12.535 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.521 -11.820 3.351 1.00 0.00 H new ATOM 1399 N PRO A 96 0.312 -15.795 5.463 1.00 0.00 N ATOM 1400 CA PRO A 96 0.707 -16.992 6.211 1.00 0.00 C ATOM 1401 C PRO A 96 0.471 -18.274 5.421 1.00 0.00 C ATOM 1402 O PRO A 96 -0.637 -18.529 4.949 1.00 0.00 O ATOM 1403 CB PRO A 96 -0.196 -16.951 7.447 1.00 0.00 C ATOM 1404 CG PRO A 96 -1.389 -16.170 7.019 1.00 0.00 C ATOM 1405 CD PRO A 96 -0.887 -15.155 6.030 1.00 0.00 C ATOM 0 HA PRO A 96 1.772 -16.994 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.474 -17.955 7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.307 -16.476 8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.138 -16.819 6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.863 -15.683 7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.630 -14.941 5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.647 -14.208 6.513 1.00 0.00 H new ATOM 1413 N ALA A 97 1.519 -19.079 5.281 1.00 0.00 N ATOM 1414 CA ALA A 97 1.425 -20.337 4.550 1.00 0.00 C ATOM 1415 C ALA A 97 0.951 -21.466 5.459 1.00 0.00 C ATOM 1416 O ALA A 97 0.256 -22.381 5.017 1.00 0.00 O ATOM 1417 CB ALA A 97 2.768 -20.687 3.926 1.00 0.00 C ATOM 0 H ALA A 97 2.444 -18.882 5.664 1.00 0.00 H new ATOM 0 HA ALA A 97 0.689 -20.213 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.683 -21.629 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.066 -19.897 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.519 -20.787 4.710 1.00 0.00 H new ATOM 1423 N ARG A 98 1.332 -21.395 6.730 1.00 0.00 N ATOM 1424 CA ARG A 98 0.947 -22.413 7.700 1.00 0.00 C ATOM 1425 C ARG A 98 0.373 -21.773 8.961 1.00 0.00 C ATOM 1426 O ARG A 98 0.249 -20.551 9.049 1.00 0.00 O ATOM 1427 CB ARG A 98 2.150 -23.286 8.061 1.00 0.00 C ATOM 1428 CG ARG A 98 2.503 -24.309 6.993 1.00 0.00 C ATOM 1429 CD ARG A 98 1.729 -25.604 7.186 1.00 0.00 C ATOM 1430 NE ARG A 98 1.765 -26.445 5.993 1.00 0.00 N ATOM 1431 CZ ARG A 98 0.873 -27.396 5.738 1.00 0.00 C ATOM 1432 NH1 ARG A 98 -0.119 -27.625 6.588 1.00 0.00 N ATOM 1433 NH2 ARG A 98 0.972 -28.120 4.631 1.00 0.00 N ATOM 0 H ARG A 98 1.907 -20.644 7.112 1.00 0.00 H new ATOM 0 HA ARG A 98 0.177 -23.037 7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.014 -22.645 8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.943 -23.806 8.996 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.286 -23.897 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.573 -24.515 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.146 -26.154 8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.693 -25.374 7.436 1.00 0.00 H new ATOM 0 HE ARG A 98 2.516 -26.294 5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.199 -27.070 7.440 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.802 -28.356 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.733 -27.947 3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.287 -28.850 4.436 1.00 0.00 H new ATOM 1447 N PHE A 99 0.024 -22.606 9.936 1.00 0.00 N ATOM 1448 CA PHE A 99 -0.538 -22.122 11.191 1.00 0.00 C ATOM 1449 C PHE A 99 0.387 -22.446 12.361 1.00 0.00 C ATOM 1450 O PHE A 99 0.992 -23.517 12.413 1.00 0.00 O ATOM 1451 CB PHE A 99 -1.917 -22.741 11.430 1.00 0.00 C ATOM 1452 CG PHE A 99 -2.462 -22.479 12.804 1.00 0.00 C ATOM 1453 CD1 PHE A 99 -2.052 -23.244 13.884 1.00 0.00 C ATOM 1454 CD2 PHE A 99 -3.384 -21.467 13.017 1.00 0.00 C ATOM 1455 CE1 PHE A 99 -2.553 -23.005 15.150 1.00 0.00 C ATOM 1456 CE2 PHE A 99 -3.888 -21.223 14.281 1.00 0.00 C ATOM 1457 CZ PHE A 99 -3.471 -21.993 15.349 1.00 0.00 C ATOM 0 H PHE A 99 0.121 -23.620 9.881 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.641 -21.039 11.120 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.615 -22.349 10.690 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.855 -23.818 11.272 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.333 -24.036 13.735 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.713 -20.861 12.185 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.226 -23.610 15.983 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.607 -20.431 14.433 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.862 -21.804 16.338 1.00 0.00 H new ATOM 1467 N THR A 100 0.492 -21.511 13.301 1.00 0.00 N ATOM 1468 CA THR A 100 1.343 -21.694 14.469 1.00 0.00 C ATOM 1469 C THR A 100 0.553 -21.509 15.760 1.00 0.00 C ATOM 1470 O THR A 100 -0.471 -20.827 15.778 1.00 0.00 O ATOM 1471 CB THR A 100 2.529 -20.711 14.461 1.00 0.00 C ATOM 1472 OG1 THR A 100 3.434 -21.025 15.525 1.00 0.00 O ATOM 1473 CG2 THR A 100 2.043 -19.277 14.609 1.00 0.00 C ATOM 0 H THR A 100 -0.002 -20.619 13.275 1.00 0.00 H new ATOM 0 HA THR A 100 1.726 -22.714 14.423 1.00 0.00 H new ATOM 0 HB THR A 100 3.045 -20.807 13.506 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.186 -20.396 15.511 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.898 -18.601 14.601 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.378 -19.031 13.781 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.505 -19.171 15.551 1.00 0.00 H new ATOM 1481 N GLU A 101 1.036 -22.119 16.837 1.00 0.00 N ATOM 1482 CA GLU A 101 0.373 -22.020 18.132 1.00 0.00 C ATOM 1483 C GLU A 101 1.286 -21.361 19.162 1.00 0.00 C ATOM 1484 O GLU A 101 2.213 -21.986 19.676 1.00 0.00 O ATOM 1485 CB GLU A 101 -0.048 -23.407 18.622 1.00 0.00 C ATOM 1486 CG GLU A 101 0.935 -24.506 18.256 1.00 0.00 C ATOM 1487 CD GLU A 101 0.697 -25.064 16.867 1.00 0.00 C ATOM 1488 OE1 GLU A 101 -0.472 -25.348 16.533 1.00 0.00 O ATOM 1489 OE2 GLU A 101 1.681 -25.216 16.112 1.00 0.00 O ATOM 0 H GLU A 101 1.883 -22.687 16.839 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.515 -21.400 18.010 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.164 -23.381 19.706 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.024 -23.650 18.203 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.951 -24.115 18.317 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.860 -25.313 18.985 1.00 0.00 H new ATOM 1496 N GLY A 102 1.017 -20.093 19.458 1.00 0.00 N ATOM 1497 CA GLY A 102 1.822 -19.369 20.423 1.00 0.00 C ATOM 1498 C GLY A 102 1.338 -19.566 21.846 1.00 0.00 C ATOM 1499 O GLY A 102 0.984 -18.604 22.527 1.00 0.00 O ATOM 0 H GLY A 102 0.255 -19.554 19.046 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.858 -19.698 20.346 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.806 -18.306 20.181 1.00 0.00 H new ATOM 1503 N SER A 103 1.320 -20.817 22.296 1.00 0.00 N ATOM 1504 CA SER A 103 0.870 -21.137 23.645 1.00 0.00 C ATOM 1505 C SER A 103 1.540 -20.229 24.672 1.00 0.00 C ATOM 1506 O SER A 103 2.737 -19.959 24.591 1.00 0.00 O ATOM 1507 CB SER A 103 1.170 -22.602 23.971 1.00 0.00 C ATOM 1508 OG SER A 103 0.400 -23.047 25.075 1.00 0.00 O ATOM 0 H SER A 103 1.612 -21.625 21.746 1.00 0.00 H new ATOM 0 HA SER A 103 -0.207 -20.974 23.690 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.956 -23.223 23.101 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.231 -22.719 24.193 1.00 0.00 H new ATOM 0 HG SER A 103 0.609 -23.986 25.262 1.00 0.00 H new ATOM 1514 N GLY A 104 0.756 -19.759 25.638 1.00 0.00 N ATOM 1515 CA GLY A 104 1.289 -18.885 26.667 1.00 0.00 C ATOM 1516 C GLY A 104 0.297 -17.823 27.097 1.00 0.00 C ATOM 1517 O GLY A 104 -0.517 -17.347 26.306 1.00 0.00 O ATOM 0 H GLY A 104 -0.238 -19.968 25.726 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.576 -19.481 27.533 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.194 -18.404 26.297 1.00 0.00 H new ATOM 1521 N PRO A 105 0.356 -17.438 28.380 1.00 0.00 N ATOM 1522 CA PRO A 105 -0.538 -16.422 28.944 1.00 0.00 C ATOM 1523 C PRO A 105 -0.240 -15.026 28.408 1.00 0.00 C ATOM 1524 O PRO A 105 0.870 -14.516 28.562 1.00 0.00 O ATOM 1525 CB PRO A 105 -0.252 -16.491 30.446 1.00 0.00 C ATOM 1526 CG PRO A 105 1.136 -17.024 30.543 1.00 0.00 C ATOM 1527 CD PRO A 105 1.301 -17.963 29.380 1.00 0.00 C ATOM 0 HA PRO A 105 -1.581 -16.609 28.686 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.332 -15.508 30.910 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.963 -17.142 30.955 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.868 -16.217 30.500 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.289 -17.544 31.489 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.324 -17.962 29.005 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.064 -18.990 29.656 1.00 0.00 H new ATOM 1535 N SER A 106 -1.238 -14.412 27.780 1.00 0.00 N ATOM 1536 CA SER A 106 -1.081 -13.075 27.219 1.00 0.00 C ATOM 1537 C SER A 106 -0.437 -12.133 28.231 1.00 0.00 C ATOM 1538 O SER A 106 0.625 -11.565 27.978 1.00 0.00 O ATOM 1539 CB SER A 106 -2.438 -12.521 26.781 1.00 0.00 C ATOM 1540 OG SER A 106 -2.931 -13.215 25.649 1.00 0.00 O ATOM 0 H SER A 106 -2.164 -14.819 27.647 1.00 0.00 H new ATOM 0 HA SER A 106 -0.428 -13.147 26.349 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.151 -12.605 27.602 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.343 -11.460 26.548 1.00 0.00 H new ATOM 0 HG SER A 106 -3.800 -12.843 25.390 1.00 0.00 H new ATOM 1546 N SER A 107 -1.087 -11.974 29.379 1.00 0.00 N ATOM 1547 CA SER A 107 -0.581 -11.098 30.429 1.00 0.00 C ATOM 1548 C SER A 107 -1.288 -11.372 31.753 1.00 0.00 C ATOM 1549 O SER A 107 -2.493 -11.160 31.881 1.00 0.00 O ATOM 1550 CB SER A 107 -0.765 -9.632 30.033 1.00 0.00 C ATOM 1551 OG SER A 107 -2.139 -9.291 29.966 1.00 0.00 O ATOM 0 H SER A 107 -1.965 -12.440 29.606 1.00 0.00 H new ATOM 0 HA SER A 107 0.482 -11.301 30.556 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.263 -8.991 30.757 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.295 -9.451 29.067 1.00 0.00 H new ATOM 0 HG SER A 107 -2.661 -9.931 30.493 1.00 0.00 H new ATOM 1557 N GLY A 108 -0.528 -11.845 32.737 1.00 0.00 N ATOM 1558 CA GLY A 108 -1.098 -12.141 34.038 1.00 0.00 C ATOM 1559 C GLY A 108 -0.396 -13.292 34.730 1.00 0.00 C ATOM 1560 O GLY A 108 0.130 -13.134 35.832 1.00 0.00 O ATOM 0 H GLY A 108 0.472 -12.028 32.656 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -1.040 -11.253 34.667 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.155 -12.381 33.922 1.00 0.00 H new TER 1564 GLY A 108