USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 944 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 104 GLN : amide:sc= -0.193 X(o=-3.5,f=-3.3) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -151:sc= -3.28! (180deg=-5.94!) USER MOD Set 2.1: A 82 LYS NZ :NH3+ -176:sc= -0.44 (180deg=-0.757) USER MOD Set 2.2: A 113 ASN : amide:sc= 0.396 K(o=-0.044,f=-2.4) USER MOD Set 3.1: A 37 TYR OH : rot 83:sc= 0.166 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.611 X(o=-0.45,f=-0.29) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc=-0.00885 USER MOD Set 4.2: A 31 LYS NZ :NH3+ -140:sc= -1.51 (180deg=-4.12!) USER MOD Set 5.1: A 26 SER OG : rot 163:sc= 0.533 USER MOD Set 5.2: A 29 ASN : amide:sc= -0.26 K(o=0.27,f=-4.7!) USER MOD Set 6.1: A 8 THR OG1 : rot 108:sc= 1.67 USER MOD Set 6.2: A 78 THR OG1 : rot 149:sc= -0.523 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.253 USER MOD Single : A 11 TYR OH : rot 128:sc= -0.528 USER MOD Single : A 15 SER OG : rot -50:sc= 0.00143 USER MOD Single : A 21 THR OG1 : rot 23:sc= 0.564 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.39! C(o=-2.3!,f=-1.4!) USER MOD Single : A 30 GLN :FLIP amide:sc= -5.68! C(o=-6.8!,f=-5.7!) USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.283 (180deg=-1.09) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.88 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.39 F(o=-1.1,f=-0.39) USER MOD Single : A 48 HIS : no HD1:sc= -7.61! C(o=-7.6!,f=-10!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.43! C(o=-1.4!,f=-7.8!) USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00321 F(o=-0.79,f=-0.0032) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 170:sc= 0.478 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.087 K(o=-0.087,f=-1.7!) USER MOD Single : A 84 MET CE :methyl 153:sc= -6.18! (180deg=-9.71!) USER MOD Single : A 85 SER OG : rot 96:sc= 0.522 USER MOD Single : A 90 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.33) USER MOD Single : A 91 TYR OH : rot -13:sc= 1.01 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 6:sc= 0.548 USER MOD Single : A 106 ASN : amide:sc= -0.0078 X(o=-0.0078,f=-0.0078) USER MOD Single : A 114 ASN :FLIP amide:sc= 0.573 F(o=0,f=0.57) USER MOD Single : A 115 SER OG : rot 45:sc= 0.105 USER MOD Single : A 118 SER OG : rot 180:sc= 0.0871 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc= -0.0739 K(o=-0.074,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.688 2.242 22.839 1.00 0.00 N ATOM 2 CA GLY A 1 4.063 1.129 23.753 1.00 0.00 C ATOM 3 C GLY A 1 4.110 -0.213 23.045 1.00 0.00 C ATOM 4 O GLY A 1 3.087 -0.889 22.920 1.00 0.00 O ATOM 0 H1 GLY A 1 3.670 3.136 23.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.385 2.310 22.070 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.746 2.059 22.437 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.038 1.338 24.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.346 1.079 24.573 1.00 0.00 H new ATOM 10 N SER A 2 5.300 -0.596 22.579 1.00 0.00 N ATOM 11 CA SER A 2 5.485 -1.866 21.876 1.00 0.00 C ATOM 12 C SER A 2 6.800 -2.536 22.296 1.00 0.00 C ATOM 13 O SER A 2 7.362 -2.205 23.343 1.00 0.00 O ATOM 14 CB SER A 2 5.452 -1.635 20.360 1.00 0.00 C ATOM 15 OG SER A 2 6.507 -0.786 19.943 1.00 0.00 O ATOM 0 H SER A 2 6.152 -0.043 22.676 1.00 0.00 H new ATOM 0 HA SER A 2 4.669 -2.536 22.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.527 -2.592 19.843 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.496 -1.195 20.078 1.00 0.00 H new ATOM 0 HG SER A 2 6.461 -0.659 18.972 1.00 0.00 H new ATOM 21 N ARG A 3 7.285 -3.481 21.484 1.00 0.00 N ATOM 22 CA ARG A 3 8.527 -4.189 21.788 1.00 0.00 C ATOM 23 C ARG A 3 9.521 -4.100 20.629 1.00 0.00 C ATOM 24 O ARG A 3 10.488 -3.341 20.693 1.00 0.00 O ATOM 25 CB ARG A 3 8.237 -5.657 22.114 1.00 0.00 C ATOM 26 CG ARG A 3 8.075 -5.930 23.599 1.00 0.00 C ATOM 27 CD ARG A 3 8.028 -7.421 23.891 1.00 0.00 C ATOM 28 NE ARG A 3 7.567 -7.701 25.251 1.00 0.00 N ATOM 29 CZ ARG A 3 6.833 -8.765 25.593 1.00 0.00 C ATOM 30 NH1 ARG A 3 6.478 -9.668 24.681 1.00 0.00 N ATOM 31 NH2 ARG A 3 6.456 -8.929 26.857 1.00 0.00 N ATOM 0 H ARG A 3 6.836 -3.771 20.615 1.00 0.00 H new ATOM 0 HA ARG A 3 8.976 -3.709 22.657 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.328 -5.963 21.596 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.048 -6.274 21.726 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.903 -5.477 24.145 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.160 -5.459 23.959 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.365 -7.909 23.176 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.020 -7.849 23.750 1.00 0.00 H new ATOM 0 HE ARG A 3 7.822 -7.042 25.986 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.766 -9.552 23.709 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.918 -10.476 24.954 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.727 -8.244 27.563 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.896 -9.740 27.121 1.00 0.00 H new ATOM 45 N THR A 4 9.280 -4.890 19.578 1.00 0.00 N ATOM 46 CA THR A 4 10.158 -4.918 18.406 1.00 0.00 C ATOM 47 C THR A 4 9.389 -5.363 17.155 1.00 0.00 C ATOM 48 O THR A 4 8.162 -5.471 17.183 1.00 0.00 O ATOM 49 CB THR A 4 11.342 -5.860 18.662 1.00 0.00 C ATOM 50 OG1 THR A 4 10.892 -7.130 19.106 1.00 0.00 O ATOM 51 CG2 THR A 4 12.320 -5.333 19.691 1.00 0.00 C ATOM 0 H THR A 4 8.481 -5.521 19.516 1.00 0.00 H new ATOM 0 HA THR A 4 10.533 -3.909 18.233 1.00 0.00 H new ATOM 0 HB THR A 4 11.856 -5.937 17.704 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.663 -7.714 19.261 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.131 -6.049 19.822 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.728 -4.381 19.351 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.806 -5.189 20.641 1.00 0.00 H new ATOM 59 N SER A 5 10.119 -5.626 16.062 1.00 0.00 N ATOM 60 CA SER A 5 9.514 -6.068 14.802 1.00 0.00 C ATOM 61 C SER A 5 8.736 -4.945 14.121 1.00 0.00 C ATOM 62 O SER A 5 7.663 -4.555 14.584 1.00 0.00 O ATOM 63 CB SER A 5 8.589 -7.269 15.031 1.00 0.00 C ATOM 64 OG SER A 5 9.130 -8.448 14.463 1.00 0.00 O ATOM 0 H SER A 5 11.135 -5.539 16.028 1.00 0.00 H new ATOM 0 HA SER A 5 10.332 -6.364 14.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.436 -7.415 16.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.611 -7.067 14.593 1.00 0.00 H new ATOM 0 HG SER A 5 8.521 -9.198 14.625 1.00 0.00 H new ATOM 70 N ARG A 6 9.273 -4.449 13.003 1.00 0.00 N ATOM 71 CA ARG A 6 8.612 -3.394 12.231 1.00 0.00 C ATOM 72 C ARG A 6 7.337 -3.961 11.585 1.00 0.00 C ATOM 73 O ARG A 6 6.745 -4.887 12.138 1.00 0.00 O ATOM 74 CB ARG A 6 9.582 -2.802 11.193 1.00 0.00 C ATOM 75 CG ARG A 6 9.739 -3.612 9.917 1.00 0.00 C ATOM 76 CD ARG A 6 10.537 -4.890 10.140 1.00 0.00 C ATOM 77 NE ARG A 6 9.721 -5.975 10.686 1.00 0.00 N ATOM 78 CZ ARG A 6 10.225 -7.081 11.239 1.00 0.00 C ATOM 79 NH1 ARG A 6 11.541 -7.256 11.324 1.00 0.00 N ATOM 80 NH2 ARG A 6 9.411 -8.016 11.711 1.00 0.00 N ATOM 0 H ARG A 6 10.162 -4.761 12.613 1.00 0.00 H new ATOM 0 HA ARG A 6 8.319 -2.576 12.890 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.240 -1.801 10.929 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.562 -2.692 11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.754 -3.865 9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.235 -3.003 9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.975 -5.210 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.363 -4.684 10.820 1.00 0.00 H new ATOM 0 HE ARG A 6 8.706 -5.881 10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.175 -6.542 10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.916 -8.104 11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.401 -7.890 11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.796 -8.861 12.133 1.00 0.00 H new ATOM 94 N ILE A 7 6.884 -3.428 10.443 1.00 0.00 N ATOM 95 CA ILE A 7 5.660 -3.957 9.838 1.00 0.00 C ATOM 96 C ILE A 7 5.629 -3.939 8.306 1.00 0.00 C ATOM 97 O ILE A 7 6.409 -3.250 7.653 1.00 0.00 O ATOM 98 CB ILE A 7 4.410 -3.210 10.346 1.00 0.00 C ATOM 99 CG1 ILE A 7 4.226 -1.867 9.625 1.00 0.00 C ATOM 100 CG2 ILE A 7 4.465 -3.009 11.854 1.00 0.00 C ATOM 101 CD1 ILE A 7 2.886 -1.734 8.923 1.00 0.00 C ATOM 0 H ILE A 7 7.327 -2.661 9.937 1.00 0.00 H new ATOM 0 HA ILE A 7 5.654 -5.001 10.151 1.00 0.00 H new ATOM 0 HB ILE A 7 3.545 -3.832 10.118 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.330 -1.058 10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.024 -1.744 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.571 -2.480 12.183 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.516 -3.979 12.349 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.348 -2.424 12.111 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.826 -0.761 8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.787 -2.521 8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.082 -1.824 9.653 1.00 0.00 H new ATOM 113 N THR A 8 4.656 -4.685 7.762 1.00 0.00 N ATOM 114 CA THR A 8 4.412 -4.762 6.320 1.00 0.00 C ATOM 115 C THR A 8 3.192 -3.899 6.007 1.00 0.00 C ATOM 116 O THR A 8 2.300 -3.774 6.850 1.00 0.00 O ATOM 117 CB THR A 8 4.166 -6.218 5.884 1.00 0.00 C ATOM 118 OG1 THR A 8 5.374 -6.959 5.927 1.00 0.00 O ATOM 119 CG2 THR A 8 3.607 -6.358 4.480 1.00 0.00 C ATOM 0 H THR A 8 4.015 -5.253 8.316 1.00 0.00 H new ATOM 0 HA THR A 8 5.284 -4.401 5.774 1.00 0.00 H new ATOM 0 HB THR A 8 3.426 -6.599 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.348 -7.584 6.681 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.462 -7.413 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.651 -5.838 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.306 -5.923 3.765 1.00 0.00 H new ATOM 127 N ALA A 9 3.145 -3.283 4.826 1.00 0.00 N ATOM 128 CA ALA A 9 2.009 -2.423 4.504 1.00 0.00 C ATOM 129 C ALA A 9 1.107 -2.994 3.423 1.00 0.00 C ATOM 130 O ALA A 9 1.546 -3.313 2.325 1.00 0.00 O ATOM 131 CB ALA A 9 2.474 -1.033 4.114 1.00 0.00 C ATOM 0 H ALA A 9 3.856 -3.359 4.098 1.00 0.00 H new ATOM 0 HA ALA A 9 1.412 -2.364 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.609 -0.413 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.026 -0.588 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.122 -1.098 3.240 1.00 0.00 H new ATOM 137 N LEU A 10 -0.170 -3.086 3.762 1.00 0.00 N ATOM 138 CA LEU A 10 -1.203 -3.576 2.862 1.00 0.00 C ATOM 139 C LEU A 10 -2.236 -2.469 2.676 1.00 0.00 C ATOM 140 O LEU A 10 -3.035 -2.227 3.570 1.00 0.00 O ATOM 141 CB LEU A 10 -1.849 -4.815 3.481 1.00 0.00 C ATOM 142 CG LEU A 10 -2.610 -5.728 2.536 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.242 -7.175 2.811 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.097 -5.522 2.711 1.00 0.00 C ATOM 0 H LEU A 10 -0.522 -2.819 4.681 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.784 -3.847 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.068 -5.401 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.533 -4.488 4.264 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.341 -5.487 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.791 -7.826 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.171 -7.313 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.499 -7.427 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.638 -6.180 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.378 -5.753 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.349 -4.485 2.490 1.00 0.00 H new ATOM 156 N TYR A 11 -2.199 -1.773 1.536 1.00 0.00 N ATOM 157 CA TYR A 11 -3.136 -0.669 1.298 1.00 0.00 C ATOM 158 C TYR A 11 -3.926 -0.877 0.006 1.00 0.00 C ATOM 159 O TYR A 11 -3.336 -1.075 -1.055 1.00 0.00 O ATOM 160 CB TYR A 11 -2.376 0.664 1.307 1.00 0.00 C ATOM 161 CG TYR A 11 -3.246 1.890 1.168 1.00 0.00 C ATOM 162 CD1 TYR A 11 -3.684 2.318 -0.072 1.00 0.00 C ATOM 163 CD2 TYR A 11 -3.616 2.626 2.282 1.00 0.00 C ATOM 164 CE1 TYR A 11 -4.469 3.447 -0.202 1.00 0.00 C ATOM 165 CE2 TYR A 11 -4.397 3.754 2.163 1.00 0.00 C ATOM 166 CZ TYR A 11 -4.821 4.162 0.919 1.00 0.00 C ATOM 167 OH TYR A 11 -5.595 5.292 0.794 1.00 0.00 O ATOM 0 H TYR A 11 -1.543 -1.949 0.775 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.870 -0.646 2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.813 0.739 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.649 0.657 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.407 1.760 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.286 2.310 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.804 3.766 -1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.676 4.316 3.042 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.364 5.230 1.398 1.00 0.00 H new ATOM 177 N GLU A 12 -5.271 -0.870 0.107 1.00 0.00 N ATOM 178 CA GLU A 12 -6.126 -1.114 -1.076 1.00 0.00 C ATOM 179 C GLU A 12 -7.507 -0.444 -1.012 1.00 0.00 C ATOM 180 O GLU A 12 -8.136 -0.381 0.046 1.00 0.00 O ATOM 181 CB GLU A 12 -6.340 -2.621 -1.244 1.00 0.00 C ATOM 182 CG GLU A 12 -5.874 -3.182 -2.585 1.00 0.00 C ATOM 183 CD GLU A 12 -6.786 -2.819 -3.746 1.00 0.00 C ATOM 184 OE1 GLU A 12 -6.861 -1.628 -4.094 1.00 0.00 O ATOM 185 OE2 GLU A 12 -7.411 -3.734 -4.320 1.00 0.00 O ATOM 0 H GLU A 12 -5.781 -0.702 0.974 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.595 -0.672 -1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.813 -3.141 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.401 -2.840 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.869 -2.814 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.807 -4.267 -2.512 1.00 0.00 H new ATOM 192 N ARG A 13 -7.990 -0.010 -2.189 1.00 0.00 N ATOM 193 CA ARG A 13 -9.315 0.600 -2.341 1.00 0.00 C ATOM 194 C ARG A 13 -10.187 -0.276 -3.246 1.00 0.00 C ATOM 195 O ARG A 13 -9.688 -0.871 -4.203 1.00 0.00 O ATOM 196 CB ARG A 13 -9.221 2.030 -2.933 1.00 0.00 C ATOM 197 CG ARG A 13 -9.938 2.205 -4.272 1.00 0.00 C ATOM 198 CD ARG A 13 -10.286 3.661 -4.550 1.00 0.00 C ATOM 199 NE ARG A 13 -9.173 4.564 -4.264 1.00 0.00 N ATOM 200 CZ ARG A 13 -8.033 4.595 -4.957 1.00 0.00 C ATOM 201 NH1 ARG A 13 -7.852 3.796 -6.009 1.00 0.00 N ATOM 202 NH2 ARG A 13 -7.075 5.440 -4.601 1.00 0.00 N ATOM 0 H ARG A 13 -7.468 -0.074 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.765 0.675 -1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.639 2.736 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.170 2.290 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.305 1.825 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.850 1.608 -4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.579 3.769 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.147 3.948 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.274 5.213 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.590 3.151 -6.293 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.976 3.830 -6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.212 6.060 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.201 5.470 -5.125 1.00 0.00 H new ATOM 216 N LEU A 14 -11.490 -0.325 -2.962 1.00 0.00 N ATOM 217 CA LEU A 14 -12.421 -1.099 -3.771 1.00 0.00 C ATOM 218 C LEU A 14 -13.282 -0.147 -4.605 1.00 0.00 C ATOM 219 O LEU A 14 -13.578 0.974 -4.186 1.00 0.00 O ATOM 220 CB LEU A 14 -13.260 -2.049 -2.882 1.00 0.00 C ATOM 221 CG LEU A 14 -14.737 -1.690 -2.646 1.00 0.00 C ATOM 222 CD1 LEU A 14 -14.885 -0.280 -2.095 1.00 0.00 C ATOM 223 CD2 LEU A 14 -15.555 -1.867 -3.920 1.00 0.00 C ATOM 0 H LEU A 14 -11.920 0.164 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.871 -1.737 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.224 -3.044 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.772 -2.117 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.127 -2.380 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.941 -0.059 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.355 -0.203 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.465 0.434 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.595 -1.606 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.159 -1.217 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.497 -2.905 -4.248 1.00 0.00 H new ATOM 235 N SER A 15 -13.635 -0.587 -5.804 1.00 0.00 N ATOM 236 CA SER A 15 -14.417 0.230 -6.735 1.00 0.00 C ATOM 237 C SER A 15 -15.910 0.211 -6.417 1.00 0.00 C ATOM 238 O SER A 15 -16.548 -0.841 -6.424 1.00 0.00 O ATOM 239 CB SER A 15 -14.187 -0.238 -8.173 1.00 0.00 C ATOM 240 OG SER A 15 -14.352 0.830 -9.089 1.00 0.00 O ATOM 0 H SER A 15 -13.393 -1.511 -6.161 1.00 0.00 H new ATOM 0 HA SER A 15 -14.072 1.258 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.183 -0.651 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.885 -1.039 -8.414 1.00 0.00 H new ATOM 0 HG SER A 15 -15.200 1.287 -8.909 1.00 0.00 H new ATOM 246 N ARG A 16 -16.461 1.397 -6.157 1.00 0.00 N ATOM 247 CA ARG A 16 -17.883 1.547 -5.851 1.00 0.00 C ATOM 248 C ARG A 16 -18.748 1.476 -7.118 1.00 0.00 C ATOM 249 O ARG A 16 -19.973 1.380 -7.027 1.00 0.00 O ATOM 250 CB ARG A 16 -18.118 2.874 -5.121 1.00 0.00 C ATOM 251 CG ARG A 16 -19.579 3.165 -4.818 1.00 0.00 C ATOM 252 CD ARG A 16 -20.152 2.190 -3.801 1.00 0.00 C ATOM 253 NE ARG A 16 -21.612 2.124 -3.869 1.00 0.00 N ATOM 254 CZ ARG A 16 -22.431 3.046 -3.355 1.00 0.00 C ATOM 255 NH1 ARG A 16 -21.941 4.116 -2.733 1.00 0.00 N ATOM 256 NH2 ARG A 16 -23.746 2.898 -3.465 1.00 0.00 N ATOM 0 H ARG A 16 -15.939 2.273 -6.152 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.179 0.719 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -17.559 2.866 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.715 3.686 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.676 4.183 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.159 3.111 -5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -19.736 1.198 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.849 2.492 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.032 1.322 -4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.932 4.238 -2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -22.574 4.814 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.129 2.081 -3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.373 3.601 -3.073 1.00 0.00 H new ATOM 270 N ASP A 17 -18.117 1.507 -8.299 1.00 0.00 N ATOM 271 CA ASP A 17 -18.857 1.437 -9.559 1.00 0.00 C ATOM 272 C ASP A 17 -19.445 0.040 -9.770 1.00 0.00 C ATOM 273 O ASP A 17 -20.423 -0.121 -10.502 1.00 0.00 O ATOM 274 CB ASP A 17 -17.945 1.802 -10.735 1.00 0.00 C ATOM 275 CG ASP A 17 -17.257 3.141 -10.545 1.00 0.00 C ATOM 276 OD1 ASP A 17 -17.885 4.179 -10.836 1.00 0.00 O ATOM 277 OD2 ASP A 17 -16.090 3.149 -10.102 1.00 0.00 O ATOM 0 H ASP A 17 -17.105 1.579 -8.405 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.677 2.154 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.191 1.025 -10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.533 1.827 -11.652 1.00 0.00 H new ATOM 282 N ASP A 18 -18.848 -0.958 -9.103 1.00 0.00 N ATOM 283 CA ASP A 18 -19.293 -2.350 -9.179 1.00 0.00 C ATOM 284 C ASP A 18 -19.812 -2.726 -10.569 1.00 0.00 C ATOM 285 O ASP A 18 -20.905 -3.274 -10.720 1.00 0.00 O ATOM 286 CB ASP A 18 -20.349 -2.615 -8.109 1.00 0.00 C ATOM 287 CG ASP A 18 -20.753 -4.080 -7.999 1.00 0.00 C ATOM 288 OD1 ASP A 18 -20.017 -4.952 -8.511 1.00 0.00 O ATOM 289 OD2 ASP A 18 -21.811 -4.355 -7.396 1.00 0.00 O ATOM 0 H ASP A 18 -18.041 -0.818 -8.495 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.426 -2.984 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.969 -2.278 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -21.234 -2.018 -8.329 1.00 0.00 H new ATOM 294 N ASP A 19 -18.990 -2.458 -11.575 1.00 0.00 N ATOM 295 CA ASP A 19 -19.316 -2.794 -12.958 1.00 0.00 C ATOM 296 C ASP A 19 -18.686 -4.143 -13.330 1.00 0.00 C ATOM 297 O ASP A 19 -18.564 -4.484 -14.508 1.00 0.00 O ATOM 298 CB ASP A 19 -18.831 -1.697 -13.915 1.00 0.00 C ATOM 299 CG ASP A 19 -17.379 -1.313 -13.689 1.00 0.00 C ATOM 300 OD1 ASP A 19 -16.488 -2.081 -14.110 1.00 0.00 O ATOM 301 OD2 ASP A 19 -17.133 -0.244 -13.092 1.00 0.00 O ATOM 0 H ASP A 19 -18.084 -2.005 -11.459 1.00 0.00 H new ATOM 0 HA ASP A 19 -20.399 -2.869 -13.051 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.955 -2.038 -14.943 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -19.458 -0.814 -13.794 1.00 0.00 H new ATOM 306 N LEU A 20 -18.270 -4.890 -12.302 1.00 0.00 N ATOM 307 CA LEU A 20 -17.627 -6.190 -12.470 1.00 0.00 C ATOM 308 C LEU A 20 -18.399 -7.292 -11.734 1.00 0.00 C ATOM 309 O LEU A 20 -18.446 -8.432 -12.197 1.00 0.00 O ATOM 310 CB LEU A 20 -16.185 -6.127 -11.943 1.00 0.00 C ATOM 311 CG LEU A 20 -15.691 -4.730 -11.529 1.00 0.00 C ATOM 312 CD1 LEU A 20 -16.241 -4.337 -10.161 1.00 0.00 C ATOM 313 CD2 LEU A 20 -14.171 -4.684 -11.525 1.00 0.00 C ATOM 0 H LEU A 20 -18.372 -4.606 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.621 -6.431 -13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.102 -6.792 -11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.518 -6.516 -12.713 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.060 -4.010 -12.260 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.876 -3.345 -9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -17.330 -4.325 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.910 -5.059 -9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.838 -3.689 -11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.787 -5.420 -10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.798 -4.910 -12.524 1.00 0.00 H new ATOM 325 N THR A 21 -18.993 -6.937 -10.584 1.00 0.00 N ATOM 326 CA THR A 21 -19.764 -7.872 -9.757 1.00 0.00 C ATOM 327 C THR A 21 -18.980 -9.150 -9.458 1.00 0.00 C ATOM 328 O THR A 21 -19.132 -10.165 -10.141 1.00 0.00 O ATOM 329 CB THR A 21 -21.118 -8.202 -10.403 1.00 0.00 C ATOM 330 OG1 THR A 21 -20.966 -8.595 -11.755 1.00 0.00 O ATOM 331 CG2 THR A 21 -22.091 -7.044 -10.369 1.00 0.00 C ATOM 0 H THR A 21 -18.951 -5.992 -10.203 1.00 0.00 H new ATOM 0 HA THR A 21 -19.953 -7.374 -8.806 1.00 0.00 H new ATOM 0 HB THR A 21 -21.521 -9.021 -9.807 1.00 0.00 H new ATOM 0 HG1 THR A 21 -20.055 -8.925 -11.899 1.00 0.00 H new ATOM 0 HG21 THR A 21 -23.028 -7.342 -10.841 1.00 0.00 H new ATOM 0 HG22 THR A 21 -22.281 -6.758 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 21 -21.667 -6.197 -10.908 1.00 0.00 H new ATOM 339 N GLY A 22 -18.145 -9.084 -8.421 1.00 0.00 N ATOM 340 CA GLY A 22 -17.344 -10.228 -8.022 1.00 0.00 C ATOM 341 C GLY A 22 -16.565 -9.975 -6.742 1.00 0.00 C ATOM 342 O GLY A 22 -17.155 -9.754 -5.685 1.00 0.00 O ATOM 0 H GLY A 22 -18.010 -8.251 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.994 -11.092 -7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.649 -10.478 -8.823 1.00 0.00 H new ATOM 346 N GLU A 23 -15.238 -10.014 -6.839 1.00 0.00 N ATOM 347 CA GLU A 23 -14.370 -9.788 -5.684 1.00 0.00 C ATOM 348 C GLU A 23 -14.010 -8.308 -5.531 1.00 0.00 C ATOM 349 O GLU A 23 -13.933 -7.794 -4.414 1.00 0.00 O ATOM 350 CB GLU A 23 -13.093 -10.622 -5.818 1.00 0.00 C ATOM 351 CG GLU A 23 -12.518 -11.078 -4.487 1.00 0.00 C ATOM 352 CD GLU A 23 -12.516 -12.587 -4.336 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.597 -13.161 -4.089 1.00 0.00 O ATOM 354 OE2 GLU A 23 -11.433 -13.194 -4.466 1.00 0.00 O ATOM 0 H GLU A 23 -14.738 -10.201 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.916 -10.095 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.304 -11.498 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.341 -10.036 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.498 -10.706 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.097 -10.637 -3.676 1.00 0.00 H new ATOM 361 N SER A 24 -13.773 -7.638 -6.662 1.00 0.00 N ATOM 362 CA SER A 24 -13.395 -6.221 -6.676 1.00 0.00 C ATOM 363 C SER A 24 -14.443 -5.313 -6.022 1.00 0.00 C ATOM 364 O SER A 24 -14.108 -4.226 -5.551 1.00 0.00 O ATOM 365 CB SER A 24 -13.142 -5.759 -8.114 1.00 0.00 C ATOM 366 OG SER A 24 -11.763 -5.526 -8.341 1.00 0.00 O ATOM 0 H SER A 24 -13.837 -8.059 -7.589 1.00 0.00 H new ATOM 0 HA SER A 24 -12.483 -6.136 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.506 -6.514 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.705 -4.847 -8.310 1.00 0.00 H new ATOM 0 HG SER A 24 -11.629 -5.234 -9.267 1.00 0.00 H new ATOM 372 N ASN A 25 -15.706 -5.742 -6.006 1.00 0.00 N ATOM 373 CA ASN A 25 -16.774 -4.933 -5.419 1.00 0.00 C ATOM 374 C ASN A 25 -16.992 -5.263 -3.932 1.00 0.00 C ATOM 375 O ASN A 25 -18.116 -5.489 -3.484 1.00 0.00 O ATOM 376 CB ASN A 25 -18.068 -5.090 -6.249 1.00 0.00 C ATOM 377 CG ASN A 25 -19.003 -6.191 -5.766 1.00 0.00 C ATOM 378 OD1 ASN A 25 -18.519 -7.427 -5.725 1.00 0.00 O flip ATOM 379 ND2 ASN A 25 -20.159 -5.928 -5.437 1.00 0.00 N flip ATOM 0 H ASN A 25 -16.012 -6.636 -6.389 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.474 -3.886 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.608 -4.143 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.797 -5.291 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.496 -4.966 -5.482 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.781 -6.672 -5.120 1.00 0.00 H new ATOM 386 N SER A 26 -15.903 -5.268 -3.158 1.00 0.00 N ATOM 387 CA SER A 26 -15.984 -5.556 -1.729 1.00 0.00 C ATOM 388 C SER A 26 -14.664 -5.232 -1.049 1.00 0.00 C ATOM 389 O SER A 26 -13.637 -5.847 -1.342 1.00 0.00 O ATOM 390 CB SER A 26 -16.353 -7.024 -1.478 1.00 0.00 C ATOM 391 OG SER A 26 -16.401 -7.771 -2.685 1.00 0.00 O ATOM 0 H SER A 26 -14.961 -5.076 -3.498 1.00 0.00 H new ATOM 0 HA SER A 26 -16.769 -4.929 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.624 -7.471 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.321 -7.075 -0.980 1.00 0.00 H new ATOM 0 HG SER A 26 -16.360 -8.728 -2.479 1.00 0.00 H new ATOM 397 N ILE A 27 -14.698 -4.257 -0.147 1.00 0.00 N ATOM 398 CA ILE A 27 -13.504 -3.836 0.573 1.00 0.00 C ATOM 399 C ILE A 27 -12.785 -5.030 1.211 1.00 0.00 C ATOM 400 O ILE A 27 -11.629 -5.305 0.894 1.00 0.00 O ATOM 401 CB ILE A 27 -13.846 -2.787 1.657 1.00 0.00 C ATOM 402 CG1 ILE A 27 -13.991 -1.393 1.027 1.00 0.00 C ATOM 403 CG2 ILE A 27 -12.799 -2.782 2.764 1.00 0.00 C ATOM 404 CD1 ILE A 27 -12.686 -0.780 0.548 1.00 0.00 C ATOM 0 H ILE A 27 -15.543 -3.743 0.103 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.834 -3.380 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.800 -3.059 2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.678 -1.459 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.446 -0.724 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.064 -2.035 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -12.759 -3.766 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.824 -2.541 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.882 0.202 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.001 -0.678 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.237 -1.424 -0.208 1.00 0.00 H new ATOM 416 N THR A 28 -13.480 -5.731 2.107 1.00 0.00 N ATOM 417 CA THR A 28 -12.913 -6.891 2.798 1.00 0.00 C ATOM 418 C THR A 28 -12.411 -7.959 1.814 1.00 0.00 C ATOM 419 O THR A 28 -11.424 -8.642 2.094 1.00 0.00 O ATOM 420 CB THR A 28 -13.941 -7.470 3.777 1.00 0.00 C ATOM 421 OG1 THR A 28 -13.352 -7.694 5.046 1.00 0.00 O ATOM 422 CG2 THR A 28 -14.554 -8.774 3.324 1.00 0.00 C ATOM 0 H THR A 28 -14.441 -5.515 2.373 1.00 0.00 H new ATOM 0 HA THR A 28 -12.042 -6.557 3.362 1.00 0.00 H new ATOM 0 HB THR A 28 -14.732 -6.722 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.023 -8.062 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.270 -9.118 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.065 -8.625 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.770 -9.521 3.202 1.00 0.00 H new ATOM 430 N ASN A 29 -13.079 -8.097 0.662 1.00 0.00 N ATOM 431 CA ASN A 29 -12.668 -9.082 -0.343 1.00 0.00 C ATOM 432 C ASN A 29 -11.249 -8.794 -0.830 1.00 0.00 C ATOM 433 O ASN A 29 -10.374 -9.659 -0.749 1.00 0.00 O ATOM 434 CB ASN A 29 -13.635 -9.097 -1.533 1.00 0.00 C ATOM 435 CG ASN A 29 -14.637 -10.231 -1.458 1.00 0.00 C ATOM 436 OD1 ASN A 29 -15.822 -10.012 -1.210 1.00 0.00 O ATOM 437 ND2 ASN A 29 -14.170 -11.452 -1.674 1.00 0.00 N ATOM 0 H ASN A 29 -13.897 -7.545 0.405 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.689 -10.064 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.169 -8.148 -1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.065 -9.182 -2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.800 -12.253 -1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.180 -11.591 -1.877 1.00 0.00 H new ATOM 444 N GLN A 30 -11.018 -7.572 -1.324 1.00 0.00 N ATOM 445 CA GLN A 30 -9.692 -7.190 -1.806 1.00 0.00 C ATOM 446 C GLN A 30 -8.663 -7.284 -0.675 1.00 0.00 C ATOM 447 O GLN A 30 -7.492 -7.582 -0.922 1.00 0.00 O ATOM 448 CB GLN A 30 -9.725 -5.787 -2.430 1.00 0.00 C ATOM 449 CG GLN A 30 -8.800 -4.770 -1.779 1.00 0.00 C ATOM 450 CD GLN A 30 -9.458 -4.039 -0.633 1.00 0.00 C ATOM 451 OE1 GLN A 30 -10.644 -3.498 -0.880 1.00 0.00 O flip ATOM 452 NE2 GLN A 30 -8.906 -3.956 0.461 1.00 0.00 N flip ATOM 0 H GLN A 30 -11.725 -6.841 -1.399 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.389 -7.887 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.464 -5.869 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.746 -5.409 -2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.906 -5.277 -1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.475 -4.048 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.993 -4.388 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.360 -3.455 1.225 1.00 0.00 H new ATOM 461 N LYS A 31 -9.106 -7.064 0.571 1.00 0.00 N ATOM 462 CA LYS A 31 -8.213 -7.174 1.718 1.00 0.00 C ATOM 463 C LYS A 31 -7.615 -8.575 1.737 1.00 0.00 C ATOM 464 O LYS A 31 -6.398 -8.744 1.808 1.00 0.00 O ATOM 465 CB LYS A 31 -8.960 -6.887 3.028 1.00 0.00 C ATOM 466 CG LYS A 31 -9.693 -5.554 3.038 1.00 0.00 C ATOM 467 CD LYS A 31 -9.726 -4.941 4.426 1.00 0.00 C ATOM 468 CE LYS A 31 -10.840 -5.521 5.283 1.00 0.00 C ATOM 469 NZ LYS A 31 -12.050 -4.653 5.298 1.00 0.00 N ATOM 0 H LYS A 31 -10.067 -6.812 0.802 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.418 -6.434 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.678 -7.687 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.248 -6.906 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.205 -4.866 2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.712 -5.697 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.768 -5.107 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.858 -3.862 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.108 -6.508 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.479 -5.655 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.451 -4.632 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.789 -3.688 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.757 -5.031 4.636 1.00 0.00 H new ATOM 483 N LYS A 32 -8.493 -9.576 1.626 1.00 0.00 N ATOM 484 CA LYS A 32 -8.077 -10.974 1.585 1.00 0.00 C ATOM 485 C LYS A 32 -7.150 -11.225 0.393 1.00 0.00 C ATOM 486 O LYS A 32 -6.228 -12.036 0.482 1.00 0.00 O ATOM 487 CB LYS A 32 -9.298 -11.890 1.504 1.00 0.00 C ATOM 488 CG LYS A 32 -9.899 -12.219 2.860 1.00 0.00 C ATOM 489 CD LYS A 32 -11.263 -12.872 2.723 1.00 0.00 C ATOM 490 CE LYS A 32 -12.372 -11.836 2.643 1.00 0.00 C ATOM 491 NZ LYS A 32 -13.333 -11.960 3.774 1.00 0.00 N ATOM 0 H LYS A 32 -9.502 -9.439 1.563 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.531 -11.196 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.058 -11.415 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.014 -12.817 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.229 -12.885 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.989 -11.307 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.281 -13.495 1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.439 -13.530 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.936 -10.837 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.906 -11.948 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.263 -11.600 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.419 -12.960 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.988 -11.407 4.585 1.00 0.00 H new ATOM 505 N TYR A 33 -7.391 -10.510 -0.718 1.00 0.00 N ATOM 506 CA TYR A 33 -6.561 -10.639 -1.922 1.00 0.00 C ATOM 507 C TYR A 33 -5.096 -10.398 -1.573 1.00 0.00 C ATOM 508 O TYR A 33 -4.262 -11.306 -1.677 1.00 0.00 O ATOM 509 CB TYR A 33 -7.005 -9.638 -2.998 1.00 0.00 C ATOM 510 CG TYR A 33 -6.256 -9.779 -4.305 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.563 -10.799 -5.197 1.00 0.00 C ATOM 512 CD2 TYR A 33 -5.230 -8.901 -4.643 1.00 0.00 C ATOM 513 CE1 TYR A 33 -5.874 -10.936 -6.386 1.00 0.00 C ATOM 514 CE2 TYR A 33 -4.539 -9.034 -5.823 1.00 0.00 C ATOM 515 CZ TYR A 33 -4.862 -10.051 -6.694 1.00 0.00 C ATOM 516 OH TYR A 33 -4.173 -10.185 -7.877 1.00 0.00 O ATOM 0 H TYR A 33 -8.153 -9.838 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.680 -11.649 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.071 -9.767 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.868 -8.625 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.353 -11.496 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.972 -8.101 -3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.126 -11.732 -7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.745 -8.343 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.761 -10.578 -8.555 1.00 0.00 H new ATOM 526 N LEU A 34 -4.793 -9.175 -1.128 1.00 0.00 N ATOM 527 CA LEU A 34 -3.436 -8.827 -0.731 1.00 0.00 C ATOM 528 C LEU A 34 -2.949 -9.836 0.296 1.00 0.00 C ATOM 529 O LEU A 34 -1.815 -10.305 0.235 1.00 0.00 O ATOM 530 CB LEU A 34 -3.386 -7.436 -0.100 1.00 0.00 C ATOM 531 CG LEU A 34 -3.794 -6.246 -0.972 1.00 0.00 C ATOM 532 CD1 LEU A 34 -4.293 -6.680 -2.341 1.00 0.00 C ATOM 533 CD2 LEU A 34 -4.846 -5.426 -0.249 1.00 0.00 C ATOM 0 H LEU A 34 -5.469 -8.417 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.805 -8.835 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.029 -7.443 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.368 -7.262 0.250 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.909 -5.633 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.570 -5.801 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.504 -7.224 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.163 -7.326 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.137 -4.578 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.719 -6.048 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.439 -5.062 0.694 1.00 0.00 H new ATOM 545 N GLU A 35 -3.838 -10.172 1.238 1.00 0.00 N ATOM 546 CA GLU A 35 -3.526 -11.136 2.280 1.00 0.00 C ATOM 547 C GLU A 35 -2.941 -12.400 1.660 1.00 0.00 C ATOM 548 O GLU A 35 -1.842 -12.824 2.015 1.00 0.00 O ATOM 549 CB GLU A 35 -4.776 -11.473 3.096 1.00 0.00 C ATOM 550 CG GLU A 35 -4.578 -11.309 4.592 1.00 0.00 C ATOM 551 CD GLU A 35 -5.402 -12.289 5.402 1.00 0.00 C ATOM 552 OE1 GLU A 35 -5.020 -13.476 5.463 1.00 0.00 O ATOM 553 OE2 GLU A 35 -6.431 -11.871 5.975 1.00 0.00 O ATOM 0 H GLU A 35 -4.780 -9.785 1.293 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.789 -10.697 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.596 -10.832 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.072 -12.501 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.523 -11.443 4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.844 -10.292 4.880 1.00 0.00 H new ATOM 560 N ASP A 36 -3.683 -12.968 0.706 1.00 0.00 N ATOM 561 CA ASP A 36 -3.265 -14.169 -0.015 1.00 0.00 C ATOM 562 C ASP A 36 -1.889 -13.976 -0.656 1.00 0.00 C ATOM 563 O ASP A 36 -1.129 -14.932 -0.812 1.00 0.00 O ATOM 564 CB ASP A 36 -4.303 -14.510 -1.085 1.00 0.00 C ATOM 565 CG ASP A 36 -4.555 -16.001 -1.198 1.00 0.00 C ATOM 566 OD1 ASP A 36 -3.727 -16.700 -1.818 1.00 0.00 O ATOM 567 OD2 ASP A 36 -5.583 -16.468 -0.666 1.00 0.00 O ATOM 0 H ASP A 36 -4.591 -12.607 0.413 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.191 -14.992 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.240 -14.004 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.965 -14.128 -2.048 1.00 0.00 H new ATOM 572 N TYR A 37 -1.575 -12.730 -1.014 1.00 0.00 N ATOM 573 CA TYR A 37 -0.291 -12.405 -1.626 1.00 0.00 C ATOM 574 C TYR A 37 0.817 -12.378 -0.577 1.00 0.00 C ATOM 575 O TYR A 37 1.733 -13.194 -0.621 1.00 0.00 O ATOM 576 CB TYR A 37 -0.369 -11.052 -2.349 1.00 0.00 C ATOM 577 CG TYR A 37 0.968 -10.545 -2.841 1.00 0.00 C ATOM 578 CD1 TYR A 37 1.822 -9.857 -1.992 1.00 0.00 C ATOM 579 CD2 TYR A 37 1.383 -10.771 -4.144 1.00 0.00 C ATOM 580 CE1 TYR A 37 3.050 -9.410 -2.424 1.00 0.00 C ATOM 581 CE2 TYR A 37 2.614 -10.329 -4.587 1.00 0.00 C ATOM 582 CZ TYR A 37 3.445 -9.651 -3.723 1.00 0.00 C ATOM 583 OH TYR A 37 4.673 -9.210 -4.161 1.00 0.00 O ATOM 0 H TYR A 37 -2.195 -11.930 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.056 -13.180 -2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.047 -11.143 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.801 -10.314 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.518 -9.668 -0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.733 -11.301 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.701 -8.873 -1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.923 -10.514 -5.605 1.00 0.00 H new ATOM 0 HH TYR A 37 5.363 -9.856 -3.904 1.00 0.00 H new ATOM 593 N ALA A 38 0.733 -11.429 0.357 1.00 0.00 N ATOM 594 CA ALA A 38 1.736 -11.296 1.413 1.00 0.00 C ATOM 595 C ALA A 38 2.065 -12.639 2.064 1.00 0.00 C ATOM 596 O ALA A 38 3.208 -12.867 2.454 1.00 0.00 O ATOM 597 CB ALA A 38 1.276 -10.304 2.462 1.00 0.00 C ATOM 0 H ALA A 38 -0.019 -10.742 0.403 1.00 0.00 H new ATOM 0 HA ALA A 38 2.648 -10.925 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.035 -10.218 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.120 -9.330 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.341 -10.649 2.904 1.00 0.00 H new ATOM 603 N ARG A 39 1.077 -13.536 2.168 1.00 0.00 N ATOM 604 CA ARG A 39 1.326 -14.856 2.758 1.00 0.00 C ATOM 605 C ARG A 39 2.047 -15.743 1.754 1.00 0.00 C ATOM 606 O ARG A 39 3.033 -16.398 2.094 1.00 0.00 O ATOM 607 CB ARG A 39 0.037 -15.522 3.242 1.00 0.00 C ATOM 608 CG ARG A 39 -1.034 -15.659 2.180 1.00 0.00 C ATOM 609 CD ARG A 39 -2.419 -15.486 2.791 1.00 0.00 C ATOM 610 NE ARG A 39 -3.244 -16.687 2.659 1.00 0.00 N ATOM 611 CZ ARG A 39 -4.163 -17.064 3.554 1.00 0.00 C ATOM 612 NH1 ARG A 39 -4.373 -16.344 4.654 1.00 0.00 N ATOM 613 NH2 ARG A 39 -4.877 -18.165 3.347 1.00 0.00 N ATOM 0 H ARG A 39 0.118 -13.378 1.859 1.00 0.00 H new ATOM 0 HA ARG A 39 1.959 -14.716 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.277 -16.513 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.366 -14.944 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.879 -14.913 1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.960 -16.637 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.318 -15.233 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.923 -14.648 2.309 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.110 -17.272 1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.830 -15.496 4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.076 -16.640 5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.724 -18.722 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.578 -18.454 4.029 1.00 0.00 H new ATOM 627 N ARG A 40 1.578 -15.725 0.502 1.00 0.00 N ATOM 628 CA ARG A 40 2.212 -16.494 -0.565 1.00 0.00 C ATOM 629 C ARG A 40 3.615 -15.937 -0.855 1.00 0.00 C ATOM 630 O ARG A 40 4.421 -16.580 -1.527 1.00 0.00 O ATOM 631 CB ARG A 40 1.340 -16.460 -1.833 1.00 0.00 C ATOM 632 CG ARG A 40 1.614 -15.287 -2.758 1.00 0.00 C ATOM 633 CD ARG A 40 0.874 -15.440 -4.076 1.00 0.00 C ATOM 634 NE ARG A 40 1.731 -15.965 -5.139 1.00 0.00 N ATOM 635 CZ ARG A 40 1.429 -15.908 -6.439 1.00 0.00 C ATOM 636 NH1 ARG A 40 0.299 -15.335 -6.845 1.00 0.00 N ATOM 637 NH2 ARG A 40 2.259 -16.425 -7.337 1.00 0.00 N ATOM 0 H ARG A 40 0.764 -15.187 0.207 1.00 0.00 H new ATOM 0 HA ARG A 40 2.312 -17.531 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.492 -17.386 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.291 -16.435 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.310 -14.360 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.685 -15.212 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.023 -16.107 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.474 -14.472 -4.380 1.00 0.00 H new ATOM 0 HE ARG A 40 2.613 -16.401 -4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.344 -14.935 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.076 -15.296 -7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.128 -16.866 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.028 -16.381 -8.330 1.00 0.00 H new ATOM 651 N ASN A 41 3.887 -14.727 -0.342 1.00 0.00 N ATOM 652 CA ASN A 41 5.168 -14.058 -0.530 1.00 0.00 C ATOM 653 C ASN A 41 6.063 -14.197 0.705 1.00 0.00 C ATOM 654 O ASN A 41 7.274 -14.382 0.579 1.00 0.00 O ATOM 655 CB ASN A 41 4.923 -12.579 -0.846 1.00 0.00 C ATOM 656 CG ASN A 41 4.865 -12.309 -2.335 1.00 0.00 C ATOM 657 OD1 ASN A 41 5.792 -11.744 -2.913 1.00 0.00 O ATOM 658 ND2 ASN A 41 3.766 -12.710 -2.966 1.00 0.00 N ATOM 0 H ASN A 41 3.220 -14.191 0.214 1.00 0.00 H new ATOM 0 HA ASN A 41 5.687 -14.533 -1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.987 -12.262 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.717 -11.979 -0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.668 -12.553 -3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.021 -13.175 -2.447 1.00 0.00 H new ATOM 665 N GLY A 42 5.457 -14.114 1.893 1.00 0.00 N ATOM 666 CA GLY A 42 6.208 -14.236 3.139 1.00 0.00 C ATOM 667 C GLY A 42 6.434 -12.908 3.858 1.00 0.00 C ATOM 668 O GLY A 42 7.565 -12.589 4.221 1.00 0.00 O ATOM 0 H GLY A 42 4.455 -13.964 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.677 -14.914 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.175 -14.692 2.926 1.00 0.00 H new ATOM 672 N PHE A 43 5.361 -12.133 4.064 1.00 0.00 N ATOM 673 CA PHE A 43 5.458 -10.835 4.747 1.00 0.00 C ATOM 674 C PHE A 43 4.759 -10.856 6.113 1.00 0.00 C ATOM 675 O PHE A 43 3.673 -11.421 6.255 1.00 0.00 O ATOM 676 CB PHE A 43 4.840 -9.740 3.876 1.00 0.00 C ATOM 677 CG PHE A 43 5.577 -9.494 2.593 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.912 -9.126 2.588 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.923 -9.634 1.391 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.576 -8.904 1.396 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.573 -9.416 0.198 1.00 0.00 C ATOM 682 CZ PHE A 43 6.904 -9.050 0.197 1.00 0.00 C ATOM 0 H PHE A 43 4.417 -12.381 3.768 1.00 0.00 H new ATOM 0 HA PHE A 43 6.516 -10.628 4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.810 -10.011 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.805 -8.812 4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.439 -9.011 3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.882 -9.920 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.617 -8.617 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.043 -9.531 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.418 -8.878 -0.737 1.00 0.00 H new ATOM 692 N GLU A 44 5.399 -10.243 7.118 1.00 0.00 N ATOM 693 CA GLU A 44 4.864 -10.188 8.475 1.00 0.00 C ATOM 694 C GLU A 44 4.240 -8.846 8.808 1.00 0.00 C ATOM 695 O GLU A 44 4.415 -7.867 8.092 1.00 0.00 O ATOM 696 CB GLU A 44 5.979 -10.429 9.471 1.00 0.00 C ATOM 697 CG GLU A 44 6.334 -11.877 9.651 1.00 0.00 C ATOM 698 CD GLU A 44 6.459 -12.641 8.346 1.00 0.00 C ATOM 699 OE1 GLU A 44 7.518 -12.528 7.691 1.00 0.00 O ATOM 700 OE2 GLU A 44 5.501 -13.353 7.981 1.00 0.00 O ATOM 0 H GLU A 44 6.298 -9.775 7.009 1.00 0.00 H new ATOM 0 HA GLU A 44 4.092 -10.956 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.866 -9.886 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.687 -10.014 10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.277 -11.946 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.574 -12.354 10.270 1.00 0.00 H new ATOM 707 N ASN A 45 3.543 -8.815 9.941 1.00 0.00 N ATOM 708 CA ASN A 45 2.909 -7.600 10.436 1.00 0.00 C ATOM 709 C ASN A 45 2.036 -6.928 9.372 1.00 0.00 C ATOM 710 O ASN A 45 1.877 -5.705 9.373 1.00 0.00 O ATOM 711 CB ASN A 45 3.980 -6.620 10.900 1.00 0.00 C ATOM 712 CG ASN A 45 4.752 -7.102 12.113 1.00 0.00 C ATOM 713 OD1 ASN A 45 6.024 -7.419 11.904 1.00 0.00 O flip ATOM 714 ND2 ASN A 45 4.216 -7.182 13.219 1.00 0.00 N flip ATOM 0 H ASN A 45 3.403 -9.630 10.539 1.00 0.00 H new ATOM 0 HA ASN A 45 2.263 -7.882 11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.678 -6.441 10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.511 -5.664 11.133 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.235 -6.927 13.330 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.753 -7.503 14.024 1.00 0.00 H new ATOM 721 N ILE A 46 1.487 -7.729 8.463 1.00 0.00 N ATOM 722 CA ILE A 46 0.646 -7.231 7.392 1.00 0.00 C ATOM 723 C ILE A 46 -0.507 -6.397 7.919 1.00 0.00 C ATOM 724 O ILE A 46 -1.524 -6.924 8.378 1.00 0.00 O ATOM 725 CB ILE A 46 0.082 -8.384 6.555 1.00 0.00 C ATOM 726 CG1 ILE A 46 1.215 -9.214 5.960 1.00 0.00 C ATOM 727 CG2 ILE A 46 -0.829 -7.854 5.461 1.00 0.00 C ATOM 728 CD1 ILE A 46 0.798 -10.628 5.620 1.00 0.00 C ATOM 0 H ILE A 46 1.616 -8.741 8.453 1.00 0.00 H new ATOM 0 HA ILE A 46 1.279 -6.600 6.768 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.509 -9.028 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.583 -8.723 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.044 -9.246 6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.220 -8.688 4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.657 -7.306 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.265 -7.187 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.648 -11.167 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.457 -11.134 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.012 -10.603 4.891 1.00 0.00 H new ATOM 740 N ARG A 47 -0.337 -5.094 7.824 1.00 0.00 N ATOM 741 CA ARG A 47 -1.360 -4.155 8.260 1.00 0.00 C ATOM 742 C ARG A 47 -2.260 -3.771 7.102 1.00 0.00 C ATOM 743 O ARG A 47 -1.788 -3.323 6.057 1.00 0.00 O ATOM 744 CB ARG A 47 -0.748 -2.918 8.894 1.00 0.00 C ATOM 745 CG ARG A 47 -1.495 -2.500 10.142 1.00 0.00 C ATOM 746 CD ARG A 47 -1.761 -1.012 10.162 1.00 0.00 C ATOM 747 NE ARG A 47 -1.735 -0.473 11.521 1.00 0.00 N ATOM 748 CZ ARG A 47 -2.282 0.689 11.878 1.00 0.00 C ATOM 749 NH1 ARG A 47 -2.913 1.442 10.983 1.00 0.00 N ATOM 750 NH2 ARG A 47 -2.196 1.098 13.136 1.00 0.00 N ATOM 0 H ARG A 47 0.503 -4.656 7.447 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.963 -4.652 9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.295 -3.115 9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.755 -2.099 8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.440 -3.040 10.198 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.916 -2.778 11.023 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.014 -0.501 9.554 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.732 -0.810 9.710 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.268 -1.022 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.982 1.132 10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.328 2.330 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.713 0.524 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.613 1.987 13.413 1.00 0.00 H new ATOM 764 N HIS A 48 -3.560 -3.967 7.292 1.00 0.00 N ATOM 765 CA HIS A 48 -4.532 -3.662 6.250 1.00 0.00 C ATOM 766 C HIS A 48 -5.025 -2.222 6.347 1.00 0.00 C ATOM 767 O HIS A 48 -5.760 -1.866 7.268 1.00 0.00 O ATOM 768 CB HIS A 48 -5.721 -4.633 6.316 1.00 0.00 C ATOM 769 CG HIS A 48 -5.401 -6.016 5.854 1.00 0.00 C ATOM 770 ND1 HIS A 48 -5.980 -6.592 4.745 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.566 -6.943 6.365 1.00 0.00 C ATOM 772 CE1 HIS A 48 -5.515 -7.818 4.593 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.650 -8.057 5.565 1.00 0.00 N ATOM 0 H HIS A 48 -3.963 -4.334 8.154 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.030 -3.782 5.290 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.083 -4.679 7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.535 -4.237 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.945 -6.831 7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.793 -8.508 3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.131 -8.925 5.699 1.00 0.00 H new ATOM 782 N PHE A 49 -4.635 -1.410 5.366 1.00 0.00 N ATOM 783 CA PHE A 49 -5.044 -0.017 5.301 1.00 0.00 C ATOM 784 C PHE A 49 -6.189 0.113 4.310 1.00 0.00 C ATOM 785 O PHE A 49 -5.999 0.099 3.084 1.00 0.00 O ATOM 786 CB PHE A 49 -3.867 0.886 4.915 1.00 0.00 C ATOM 787 CG PHE A 49 -2.672 0.715 5.806 1.00 0.00 C ATOM 788 CD1 PHE A 49 -2.569 1.438 6.978 1.00 0.00 C ATOM 789 CD2 PHE A 49 -1.661 -0.175 5.478 1.00 0.00 C ATOM 790 CE1 PHE A 49 -1.482 1.283 7.809 1.00 0.00 C ATOM 791 CE2 PHE A 49 -0.572 -0.338 6.308 1.00 0.00 C ATOM 792 CZ PHE A 49 -0.482 0.392 7.474 1.00 0.00 C ATOM 0 H PHE A 49 -4.029 -1.702 4.599 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.383 0.308 6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.578 0.674 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.190 1.926 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.351 2.134 7.246 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.727 -0.746 4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.412 1.857 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.209 -1.036 6.045 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.370 0.267 8.125 1.00 0.00 H new ATOM 802 N THR A 50 -7.382 0.176 4.876 1.00 0.00 N ATOM 803 CA THR A 50 -8.618 0.242 4.117 1.00 0.00 C ATOM 804 C THR A 50 -8.864 1.593 3.475 1.00 0.00 C ATOM 805 O THR A 50 -8.375 2.629 3.931 1.00 0.00 O ATOM 806 CB THR A 50 -9.775 -0.141 5.036 1.00 0.00 C ATOM 807 OG1 THR A 50 -10.930 -0.484 4.290 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.156 0.953 6.013 1.00 0.00 C ATOM 0 H THR A 50 -7.521 0.183 5.887 1.00 0.00 H new ATOM 0 HA THR A 50 -8.536 -0.461 3.288 1.00 0.00 H new ATOM 0 HB THR A 50 -9.413 -0.998 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.655 -0.727 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.984 0.613 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.301 1.190 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.457 1.844 5.462 1.00 0.00 H new ATOM 816 N ASP A 51 -9.636 1.546 2.394 1.00 0.00 N ATOM 817 CA ASP A 51 -9.986 2.729 1.635 1.00 0.00 C ATOM 818 C ASP A 51 -11.493 2.925 1.635 1.00 0.00 C ATOM 819 O ASP A 51 -12.251 1.955 1.610 1.00 0.00 O ATOM 820 CB ASP A 51 -9.473 2.603 0.195 1.00 0.00 C ATOM 821 CG ASP A 51 -7.952 2.488 0.082 1.00 0.00 C ATOM 822 OD1 ASP A 51 -7.306 1.962 1.015 1.00 0.00 O ATOM 823 OD2 ASP A 51 -7.404 2.943 -0.941 1.00 0.00 O ATOM 0 H ASP A 51 -10.034 0.683 2.024 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.518 3.596 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.928 1.726 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.804 3.471 -0.375 1.00 0.00 H new ATOM 828 N ASP A 52 -11.925 4.181 1.671 1.00 0.00 N ATOM 829 CA ASP A 52 -13.346 4.486 1.684 1.00 0.00 C ATOM 830 C ASP A 52 -13.591 5.951 1.351 1.00 0.00 C ATOM 831 O ASP A 52 -13.231 6.842 2.124 1.00 0.00 O ATOM 832 CB ASP A 52 -13.940 4.142 3.051 1.00 0.00 C ATOM 833 CG ASP A 52 -15.446 4.331 3.103 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.899 5.490 3.198 1.00 0.00 O ATOM 835 OD2 ASP A 52 -16.172 3.316 3.050 1.00 0.00 O ATOM 0 H ASP A 52 -11.314 4.998 1.692 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.837 3.882 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.700 3.108 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.473 4.767 3.812 1.00 0.00 H new ATOM 840 N GLY A 53 -14.201 6.188 0.192 1.00 0.00 N ATOM 841 CA GLY A 53 -14.489 7.546 -0.241 1.00 0.00 C ATOM 842 C GLY A 53 -13.246 8.417 -0.284 1.00 0.00 C ATOM 843 O GLY A 53 -13.213 9.488 0.323 1.00 0.00 O ATOM 0 H GLY A 53 -14.502 5.461 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.945 7.520 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.219 7.993 0.434 1.00 0.00 H new ATOM 847 N PHE A 54 -12.223 7.953 -1.002 1.00 0.00 N ATOM 848 CA PHE A 54 -10.975 8.691 -1.122 1.00 0.00 C ATOM 849 C PHE A 54 -11.036 9.659 -2.297 1.00 0.00 C ATOM 850 O PHE A 54 -11.513 9.310 -3.378 1.00 0.00 O ATOM 851 CB PHE A 54 -9.789 7.732 -1.295 1.00 0.00 C ATOM 852 CG PHE A 54 -9.373 7.037 -0.025 1.00 0.00 C ATOM 853 CD1 PHE A 54 -9.655 7.590 1.217 1.00 0.00 C ATOM 854 CD2 PHE A 54 -8.716 5.817 -0.067 1.00 0.00 C ATOM 855 CE1 PHE A 54 -9.293 6.943 2.377 1.00 0.00 C ATOM 856 CE2 PHE A 54 -8.347 5.181 1.100 1.00 0.00 C ATOM 857 CZ PHE A 54 -8.634 5.739 2.319 1.00 0.00 C ATOM 0 H PHE A 54 -12.239 7.068 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.831 9.260 -0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.049 6.980 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.938 8.289 -1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.165 8.540 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.492 5.361 -1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.528 7.383 3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.828 4.235 1.053 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.344 5.235 3.229 1.00 0.00 H new ATOM 867 N SER A 55 -10.548 10.873 -2.072 1.00 0.00 N ATOM 868 CA SER A 55 -10.536 11.909 -3.105 1.00 0.00 C ATOM 869 C SER A 55 -9.698 11.472 -4.307 1.00 0.00 C ATOM 870 O SER A 55 -8.979 10.475 -4.242 1.00 0.00 O ATOM 871 CB SER A 55 -9.989 13.220 -2.535 1.00 0.00 C ATOM 872 OG SER A 55 -10.928 13.832 -1.668 1.00 0.00 O ATOM 0 H SER A 55 -10.153 11.168 -1.179 1.00 0.00 H new ATOM 0 HA SER A 55 -11.562 12.066 -3.439 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.063 13.026 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.745 13.901 -3.351 1.00 0.00 H new ATOM 0 HG SER A 55 -10.553 14.666 -1.316 1.00 0.00 H new ATOM 878 N GLY A 56 -9.797 12.220 -5.404 1.00 0.00 N ATOM 879 CA GLY A 56 -9.045 11.883 -6.601 1.00 0.00 C ATOM 880 C GLY A 56 -7.920 12.859 -6.891 1.00 0.00 C ATOM 881 O GLY A 56 -7.708 13.231 -8.046 1.00 0.00 O ATOM 0 H GLY A 56 -10.383 13.051 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.630 10.881 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.723 11.856 -7.454 1.00 0.00 H new ATOM 885 N VAL A 57 -7.196 13.278 -5.849 1.00 0.00 N ATOM 886 CA VAL A 57 -6.091 14.217 -6.023 1.00 0.00 C ATOM 887 C VAL A 57 -4.734 13.505 -6.067 1.00 0.00 C ATOM 888 O VAL A 57 -3.924 13.781 -6.952 1.00 0.00 O ATOM 889 CB VAL A 57 -6.074 15.295 -4.913 1.00 0.00 C ATOM 890 CG1 VAL A 57 -7.347 16.126 -4.962 1.00 0.00 C ATOM 891 CG2 VAL A 57 -5.894 14.672 -3.535 1.00 0.00 C ATOM 0 H VAL A 57 -7.355 12.983 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.257 14.705 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.221 15.949 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.320 16.880 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.424 16.617 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.211 15.478 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.887 15.457 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.716 13.985 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.950 14.128 -3.502 1.00 0.00 H new ATOM 901 N ASN A 58 -4.495 12.583 -5.119 1.00 0.00 N ATOM 902 CA ASN A 58 -3.230 11.834 -5.060 1.00 0.00 C ATOM 903 C ASN A 58 -3.094 11.053 -3.744 1.00 0.00 C ATOM 904 O ASN A 58 -3.635 9.956 -3.625 1.00 0.00 O ATOM 905 CB ASN A 58 -2.026 12.769 -5.270 1.00 0.00 C ATOM 906 CG ASN A 58 -2.222 14.146 -4.655 1.00 0.00 C ATOM 907 OD1 ASN A 58 -2.481 14.276 -3.459 1.00 0.00 O ATOM 908 ND2 ASN A 58 -2.098 15.183 -5.473 1.00 0.00 N ATOM 0 H ASN A 58 -5.160 12.339 -4.385 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.243 11.107 -5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.137 12.309 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.841 12.878 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.218 16.131 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.882 15.032 -6.459 1.00 0.00 H new ATOM 915 N PHE A 59 -2.367 11.608 -2.768 1.00 0.00 N ATOM 916 CA PHE A 59 -2.162 10.937 -1.484 1.00 0.00 C ATOM 917 C PHE A 59 -2.829 11.718 -0.345 1.00 0.00 C ATOM 918 O PHE A 59 -3.622 12.628 -0.594 1.00 0.00 O ATOM 919 CB PHE A 59 -0.657 10.743 -1.210 1.00 0.00 C ATOM 920 CG PHE A 59 0.153 10.356 -2.428 1.00 0.00 C ATOM 921 CD1 PHE A 59 0.338 11.252 -3.471 1.00 0.00 C ATOM 922 CD2 PHE A 59 0.728 9.098 -2.534 1.00 0.00 C ATOM 923 CE1 PHE A 59 1.074 10.903 -4.586 1.00 0.00 C ATOM 924 CE2 PHE A 59 1.465 8.747 -3.650 1.00 0.00 C ATOM 925 CZ PHE A 59 1.637 9.651 -4.676 1.00 0.00 C ATOM 0 H PHE A 59 -1.913 12.518 -2.844 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.630 9.954 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.253 11.668 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.535 9.974 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.100 12.237 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.598 8.384 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.208 11.614 -5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.906 7.764 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.212 9.377 -5.548 1.00 0.00 H new ATOM 935 N ASN A 60 -2.519 11.342 0.904 1.00 0.00 N ATOM 936 CA ASN A 60 -3.099 11.988 2.087 1.00 0.00 C ATOM 937 C ASN A 60 -4.564 11.587 2.245 1.00 0.00 C ATOM 938 O ASN A 60 -5.475 12.240 1.733 1.00 0.00 O ATOM 939 CB ASN A 60 -2.939 13.513 2.025 1.00 0.00 C ATOM 940 CG ASN A 60 -1.480 13.938 1.942 1.00 0.00 C ATOM 941 OD1 ASN A 60 -0.607 13.235 2.665 1.00 0.00 O flip ATOM 942 ND2 ASN A 60 -1.140 14.887 1.238 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.866 10.589 1.120 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.555 11.644 2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.477 13.898 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.396 13.960 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.839 15.399 0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.159 15.162 1.192 1.00 0.00 H new ATOM 949 N ARG A 61 -4.753 10.479 2.952 1.00 0.00 N ATOM 950 CA ARG A 61 -6.068 9.895 3.213 1.00 0.00 C ATOM 951 C ARG A 61 -6.093 9.353 4.642 1.00 0.00 C ATOM 952 O ARG A 61 -5.047 9.194 5.250 1.00 0.00 O ATOM 953 CB ARG A 61 -6.339 8.755 2.215 1.00 0.00 C ATOM 954 CG ARG A 61 -5.277 8.602 1.122 1.00 0.00 C ATOM 955 CD ARG A 61 -5.609 9.404 -0.122 1.00 0.00 C ATOM 956 NE ARG A 61 -5.312 8.660 -1.346 1.00 0.00 N ATOM 957 CZ ARG A 61 -6.059 8.702 -2.452 1.00 0.00 C ATOM 958 NH1 ARG A 61 -7.164 9.441 -2.497 1.00 0.00 N ATOM 959 NH2 ARG A 61 -5.697 8.000 -3.520 1.00 0.00 N ATOM 0 H ARG A 61 -3.986 9.951 3.368 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.840 10.655 3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.413 7.817 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.307 8.925 1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.310 8.923 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.181 7.549 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.665 9.674 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.042 10.335 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.480 8.070 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.448 9.983 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.727 9.465 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.851 7.431 -3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.265 8.030 -4.366 1.00 0.00 H new ATOM 973 N PRO A 62 -7.272 9.054 5.203 1.00 0.00 N ATOM 974 CA PRO A 62 -7.373 8.514 6.567 1.00 0.00 C ATOM 975 C PRO A 62 -6.641 7.170 6.684 1.00 0.00 C ATOM 976 O PRO A 62 -5.615 7.067 7.371 1.00 0.00 O ATOM 977 CB PRO A 62 -8.882 8.358 6.786 1.00 0.00 C ATOM 978 CG PRO A 62 -9.476 8.351 5.419 1.00 0.00 C ATOM 979 CD PRO A 62 -8.579 9.202 4.563 1.00 0.00 C ATOM 0 HA PRO A 62 -6.910 9.158 7.315 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.109 7.435 7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.280 9.178 7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.538 7.336 5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.491 8.749 5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.563 8.857 3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.905 10.242 4.547 1.00 0.00 H new ATOM 987 N GLY A 63 -7.143 6.155 5.970 1.00 0.00 N ATOM 988 CA GLY A 63 -6.497 4.851 5.970 1.00 0.00 C ATOM 989 C GLY A 63 -5.059 4.956 5.493 1.00 0.00 C ATOM 990 O GLY A 63 -4.176 4.242 5.971 1.00 0.00 O ATOM 0 H GLY A 63 -7.983 6.216 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.521 4.429 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.049 4.168 5.325 1.00 0.00 H new ATOM 994 N PHE A 64 -4.835 5.879 4.556 1.00 0.00 N ATOM 995 CA PHE A 64 -3.515 6.139 3.998 1.00 0.00 C ATOM 996 C PHE A 64 -2.610 6.761 5.048 1.00 0.00 C ATOM 997 O PHE A 64 -1.455 6.374 5.186 1.00 0.00 O ATOM 998 CB PHE A 64 -3.667 7.084 2.817 1.00 0.00 C ATOM 999 CG PHE A 64 -2.403 7.375 2.077 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -1.361 8.045 2.689 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -2.267 6.988 0.763 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.201 8.319 2.001 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -1.114 7.257 0.067 1.00 0.00 C ATOM 1004 CZ PHE A 64 -0.074 7.925 0.687 1.00 0.00 C ATOM 0 H PHE A 64 -5.570 6.468 4.164 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.064 5.202 3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.389 6.658 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.086 8.025 3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.458 8.357 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.076 6.467 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.608 8.842 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.020 6.947 -0.963 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.835 8.137 0.143 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.154 7.723 5.793 1.00 0.00 N ATOM 1015 CA GLN A 65 -2.408 8.393 6.845 1.00 0.00 C ATOM 1016 C GLN A 65 -1.933 7.368 7.866 1.00 0.00 C ATOM 1017 O GLN A 65 -0.903 7.558 8.507 1.00 0.00 O ATOM 1018 CB GLN A 65 -3.252 9.489 7.498 1.00 0.00 C ATOM 1019 CG GLN A 65 -3.184 10.818 6.754 1.00 0.00 C ATOM 1020 CD GLN A 65 -3.889 11.941 7.492 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -5.103 11.905 7.686 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -3.128 12.948 7.905 1.00 0.00 N ATOM 0 H GLN A 65 -4.113 8.053 5.683 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.533 8.878 6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.290 9.159 7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.915 9.636 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.140 11.090 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.632 10.700 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.125 12.937 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.547 13.732 8.405 1.00 0.00 H new ATOM 1031 N SER A 66 -2.657 6.245 7.961 1.00 0.00 N ATOM 1032 CA SER A 66 -2.261 5.161 8.839 1.00 0.00 C ATOM 1033 C SER A 66 -1.063 4.469 8.190 1.00 0.00 C ATOM 1034 O SER A 66 -0.030 4.261 8.826 1.00 0.00 O ATOM 1035 CB SER A 66 -3.419 4.181 9.038 1.00 0.00 C ATOM 1036 OG SER A 66 -3.769 4.074 10.405 1.00 0.00 O ATOM 0 H SER A 66 -3.516 6.073 7.438 1.00 0.00 H new ATOM 0 HA SER A 66 -1.992 5.540 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.283 4.514 8.463 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.139 3.200 8.654 1.00 0.00 H new ATOM 0 HG SER A 66 -4.607 3.573 10.490 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.203 4.176 6.887 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.136 3.575 6.096 1.00 0.00 C ATOM 1044 C LEU A 67 1.120 4.454 6.197 1.00 0.00 C ATOM 1045 O LEU A 67 2.215 3.974 6.514 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.617 3.435 4.634 1.00 0.00 C ATOM 1047 CG LEU A 67 0.361 3.893 3.560 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.528 2.935 3.496 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.340 3.973 2.216 1.00 0.00 C ATOM 0 H LEU A 67 -2.059 4.351 6.361 1.00 0.00 H new ATOM 0 HA LEU A 67 0.114 2.583 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.861 2.388 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.541 4.002 4.521 1.00 0.00 H new ATOM 0 HG LEU A 67 0.734 4.886 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.227 3.264 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.034 2.913 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.166 1.936 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.368 4.301 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.729 2.990 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.163 4.685 2.277 1.00 0.00 H new ATOM 1061 N ILE A 68 0.936 5.757 5.957 1.00 0.00 N ATOM 1062 CA ILE A 68 2.023 6.726 6.043 1.00 0.00 C ATOM 1063 C ILE A 68 2.530 6.837 7.489 1.00 0.00 C ATOM 1064 O ILE A 68 3.714 7.072 7.709 1.00 0.00 O ATOM 1065 CB ILE A 68 1.580 8.117 5.500 1.00 0.00 C ATOM 1066 CG1 ILE A 68 2.600 8.672 4.489 1.00 0.00 C ATOM 1067 CG2 ILE A 68 1.371 9.115 6.633 1.00 0.00 C ATOM 1068 CD1 ILE A 68 2.902 7.751 3.324 1.00 0.00 C ATOM 0 H ILE A 68 0.036 6.162 5.700 1.00 0.00 H new ATOM 0 HA ILE A 68 2.843 6.373 5.418 1.00 0.00 H new ATOM 0 HB ILE A 68 0.628 7.973 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.226 9.619 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.530 8.889 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.062 10.075 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.598 8.744 7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.303 9.240 7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.630 8.225 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.309 6.812 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.985 7.553 2.769 1.00 0.00 H new ATOM 1080 N LYS A 69 1.627 6.641 8.468 1.00 0.00 N ATOM 1081 CA LYS A 69 1.994 6.695 9.891 1.00 0.00 C ATOM 1082 C LYS A 69 3.054 5.639 10.204 1.00 0.00 C ATOM 1083 O LYS A 69 3.964 5.863 11.005 1.00 0.00 O ATOM 1084 CB LYS A 69 0.768 6.483 10.782 1.00 0.00 C ATOM 1085 CG LYS A 69 1.057 6.701 12.256 1.00 0.00 C ATOM 1086 CD LYS A 69 0.886 5.424 13.060 1.00 0.00 C ATOM 1087 CE LYS A 69 2.206 4.958 13.651 1.00 0.00 C ATOM 1088 NZ LYS A 69 2.238 5.098 15.133 1.00 0.00 N ATOM 0 H LYS A 69 0.641 6.444 8.298 1.00 0.00 H new ATOM 0 HA LYS A 69 2.402 7.684 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.023 7.164 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.392 5.470 10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.075 7.072 12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.390 7.469 12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.166 5.591 13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.476 4.642 12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.375 3.915 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.021 5.535 13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.156 4.769 15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.103 6.097 15.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.477 4.527 15.552 1.00 0.00 H new ATOM 1102 N GLU A 70 2.947 4.499 9.532 1.00 0.00 N ATOM 1103 CA GLU A 70 3.920 3.422 9.692 1.00 0.00 C ATOM 1104 C GLU A 70 5.199 3.821 8.970 1.00 0.00 C ATOM 1105 O GLU A 70 6.301 3.531 9.432 1.00 0.00 O ATOM 1106 CB GLU A 70 3.394 2.097 9.122 1.00 0.00 C ATOM 1107 CG GLU A 70 1.906 1.864 9.332 1.00 0.00 C ATOM 1108 CD GLU A 70 1.536 1.589 10.777 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.805 2.450 11.640 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.968 0.511 11.044 1.00 0.00 O ATOM 0 H GLU A 70 2.197 4.295 8.871 1.00 0.00 H new ATOM 0 HA GLU A 70 4.108 3.270 10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.606 2.067 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.945 1.275 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.356 2.739 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.587 1.022 8.717 1.00 0.00 H new ATOM 1117 N VAL A 71 5.034 4.507 7.833 1.00 0.00 N ATOM 1118 CA VAL A 71 6.171 4.968 7.044 1.00 0.00 C ATOM 1119 C VAL A 71 6.979 6.033 7.796 1.00 0.00 C ATOM 1120 O VAL A 71 8.210 5.982 7.816 1.00 0.00 O ATOM 1121 CB VAL A 71 5.735 5.545 5.674 1.00 0.00 C ATOM 1122 CG1 VAL A 71 6.947 5.757 4.792 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.735 4.639 4.970 1.00 0.00 C ATOM 0 H VAL A 71 4.124 4.752 7.443 1.00 0.00 H new ATOM 0 HA VAL A 71 6.795 4.091 6.872 1.00 0.00 H new ATOM 0 HB VAL A 71 5.244 6.500 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.631 6.163 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.630 6.456 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.454 4.805 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.455 5.080 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.186 3.661 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.846 4.526 5.591 1.00 0.00 H new ATOM 1133 N GLU A 72 6.283 6.993 8.416 1.00 0.00 N ATOM 1134 CA GLU A 72 6.947 8.065 9.169 1.00 0.00 C ATOM 1135 C GLU A 72 7.732 7.488 10.341 1.00 0.00 C ATOM 1136 O GLU A 72 8.898 7.825 10.545 1.00 0.00 O ATOM 1137 CB GLU A 72 5.940 9.107 9.674 1.00 0.00 C ATOM 1138 CG GLU A 72 4.577 8.537 10.018 1.00 0.00 C ATOM 1139 CD GLU A 72 3.921 9.234 11.194 1.00 0.00 C ATOM 1140 OE1 GLU A 72 3.407 10.356 11.010 1.00 0.00 O ATOM 1141 OE2 GLU A 72 3.916 8.656 12.300 1.00 0.00 O ATOM 0 H GLU A 72 5.265 7.050 8.412 1.00 0.00 H new ATOM 0 HA GLU A 72 7.637 8.564 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.351 9.595 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.818 9.877 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.926 8.616 9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.680 7.476 10.244 1.00 0.00 H new ATOM 1148 N ALA A 73 7.086 6.601 11.096 1.00 0.00 N ATOM 1149 CA ALA A 73 7.718 5.953 12.243 1.00 0.00 C ATOM 1150 C ALA A 73 8.849 5.014 11.807 1.00 0.00 C ATOM 1151 O ALA A 73 9.710 4.653 12.612 1.00 0.00 O ATOM 1152 CB ALA A 73 6.674 5.185 13.033 1.00 0.00 C ATOM 0 H ALA A 73 6.121 6.314 10.933 1.00 0.00 H new ATOM 0 HA ALA A 73 8.157 6.727 12.873 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.147 4.702 13.888 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.905 5.873 13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.219 4.428 12.395 1.00 0.00 H new ATOM 1158 N GLY A 74 8.829 4.612 10.534 1.00 0.00 N ATOM 1159 CA GLY A 74 9.836 3.710 10.002 1.00 0.00 C ATOM 1160 C GLY A 74 9.555 2.261 10.361 1.00 0.00 C ATOM 1161 O GLY A 74 10.468 1.502 10.687 1.00 0.00 O ATOM 0 H GLY A 74 8.123 4.901 9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.877 3.813 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.816 3.994 10.386 1.00 0.00 H new ATOM 1165 N ASN A 75 8.279 1.888 10.288 1.00 0.00 N ATOM 1166 CA ASN A 75 7.825 0.535 10.585 1.00 0.00 C ATOM 1167 C ASN A 75 7.533 -0.208 9.292 1.00 0.00 C ATOM 1168 O ASN A 75 7.908 -1.368 9.136 1.00 0.00 O ATOM 1169 CB ASN A 75 6.556 0.602 11.441 1.00 0.00 C ATOM 1170 CG ASN A 75 6.846 0.774 12.919 1.00 0.00 C ATOM 1171 OD1 ASN A 75 7.983 0.630 13.369 1.00 0.00 O ATOM 1172 ND2 ASN A 75 5.809 1.085 13.686 1.00 0.00 N ATOM 0 H ASN A 75 7.527 2.522 10.019 1.00 0.00 H new ATOM 0 HA ASN A 75 8.605 0.004 11.131 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.937 1.432 11.099 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.977 -0.310 11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.938 1.214 14.690 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.883 1.195 13.272 1.00 0.00 H new ATOM 1179 N VAL A 76 6.860 0.470 8.368 1.00 0.00 N ATOM 1180 CA VAL A 76 6.511 -0.122 7.088 1.00 0.00 C ATOM 1181 C VAL A 76 7.758 -0.499 6.279 1.00 0.00 C ATOM 1182 O VAL A 76 8.292 0.306 5.513 1.00 0.00 O ATOM 1183 CB VAL A 76 5.633 0.829 6.246 1.00 0.00 C ATOM 1184 CG1 VAL A 76 6.400 2.075 5.848 1.00 0.00 C ATOM 1185 CG2 VAL A 76 5.107 0.110 5.017 1.00 0.00 C ATOM 0 H VAL A 76 6.546 1.433 8.486 1.00 0.00 H new ATOM 0 HA VAL A 76 5.947 -1.027 7.311 1.00 0.00 H new ATOM 0 HB VAL A 76 4.787 1.140 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.756 2.725 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.725 2.604 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.272 1.793 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.490 0.792 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.945 -0.232 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.508 -0.747 5.325 1.00 0.00 H new ATOM 1195 N GLU A 77 8.205 -1.735 6.435 1.00 0.00 N ATOM 1196 CA GLU A 77 9.365 -2.221 5.698 1.00 0.00 C ATOM 1197 C GLU A 77 8.938 -2.828 4.357 1.00 0.00 C ATOM 1198 O GLU A 77 9.772 -3.324 3.600 1.00 0.00 O ATOM 1199 CB GLU A 77 10.116 -3.260 6.526 1.00 0.00 C ATOM 1200 CG GLU A 77 9.348 -4.558 6.700 1.00 0.00 C ATOM 1201 CD GLU A 77 10.147 -5.776 6.281 1.00 0.00 C ATOM 1202 OE1 GLU A 77 10.642 -5.801 5.133 1.00 0.00 O ATOM 1203 OE2 GLU A 77 10.272 -6.708 7.099 1.00 0.00 O ATOM 0 H GLU A 77 7.785 -2.420 7.063 1.00 0.00 H new ATOM 0 HA GLU A 77 10.026 -1.377 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.072 -3.473 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.336 -2.842 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.055 -4.664 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.430 -4.513 6.114 1.00 0.00 H new ATOM 1210 N THR A 78 7.628 -2.807 4.083 1.00 0.00 N ATOM 1211 CA THR A 78 7.082 -3.374 2.857 1.00 0.00 C ATOM 1212 C THR A 78 5.747 -2.743 2.497 1.00 0.00 C ATOM 1213 O THR A 78 5.022 -2.275 3.368 1.00 0.00 O ATOM 1214 CB THR A 78 6.891 -4.879 3.021 1.00 0.00 C ATOM 1215 OG1 THR A 78 6.834 -5.241 4.390 1.00 0.00 O ATOM 1216 CG2 THR A 78 7.985 -5.691 2.384 1.00 0.00 C ATOM 0 H THR A 78 6.927 -2.399 4.702 1.00 0.00 H new ATOM 0 HA THR A 78 7.791 -3.169 2.055 1.00 0.00 H new ATOM 0 HB THR A 78 5.950 -5.100 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.258 -6.027 4.497 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.787 -6.752 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.020 -5.480 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.942 -5.431 2.837 1.00 0.00 H new ATOM 1224 N LEU A 79 5.422 -2.754 1.208 1.00 0.00 N ATOM 1225 CA LEU A 79 4.157 -2.206 0.740 1.00 0.00 C ATOM 1226 C LEU A 79 3.537 -3.106 -0.320 1.00 0.00 C ATOM 1227 O LEU A 79 4.159 -3.407 -1.337 1.00 0.00 O ATOM 1228 CB LEU A 79 4.333 -0.802 0.159 1.00 0.00 C ATOM 1229 CG LEU A 79 3.078 0.097 0.157 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.805 -0.718 0.033 1.00 0.00 C ATOM 1231 CD2 LEU A 79 3.012 0.955 1.405 1.00 0.00 C ATOM 0 H LEU A 79 6.016 -3.136 0.472 1.00 0.00 H new ATOM 0 HA LEU A 79 3.496 -2.149 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.117 -0.294 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.687 -0.898 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 79 3.160 0.747 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.944 -0.050 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.824 -1.283 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.731 -1.408 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.117 1.576 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.977 0.314 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.895 1.593 1.455 1.00 0.00 H new ATOM 1243 N ILE A 80 2.300 -3.506 -0.077 1.00 0.00 N ATOM 1244 CA ILE A 80 1.559 -4.342 -1.007 1.00 0.00 C ATOM 1245 C ILE A 80 0.294 -3.618 -1.461 1.00 0.00 C ATOM 1246 O ILE A 80 -0.631 -3.393 -0.670 1.00 0.00 O ATOM 1247 CB ILE A 80 1.186 -5.714 -0.397 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.426 -6.602 -0.273 1.00 0.00 C ATOM 1249 CG2 ILE A 80 0.131 -6.408 -1.249 1.00 0.00 C ATOM 1250 CD1 ILE A 80 3.350 -6.205 0.854 1.00 0.00 C ATOM 0 H ILE A 80 1.783 -3.262 0.767 1.00 0.00 H new ATOM 0 HA ILE A 80 2.209 -4.531 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 80 0.776 -5.544 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.109 -7.634 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.979 -6.571 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.119 -7.371 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.764 -5.787 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.520 -6.562 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.205 -6.880 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.698 -5.184 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.814 -6.264 1.801 1.00 0.00 H new ATOM 1262 N VAL A 81 0.276 -3.253 -2.739 1.00 0.00 N ATOM 1263 CA VAL A 81 -0.852 -2.555 -3.338 1.00 0.00 C ATOM 1264 C VAL A 81 -1.327 -3.304 -4.579 1.00 0.00 C ATOM 1265 O VAL A 81 -0.508 -3.789 -5.366 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.474 -1.121 -3.764 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.699 -0.363 -4.244 1.00 0.00 C ATOM 1268 CG2 VAL A 81 0.206 -0.350 -2.630 1.00 0.00 C ATOM 0 H VAL A 81 1.043 -3.433 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.639 -2.509 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 81 0.238 -1.207 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.410 0.646 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.135 -0.880 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.432 -0.309 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.456 0.655 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.470 -0.286 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.117 -0.869 -2.332 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.642 -3.382 -4.768 1.00 0.00 N ATOM 1279 CA LYS A 82 -3.196 -4.054 -5.935 1.00 0.00 C ATOM 1280 C LYS A 82 -2.579 -3.469 -7.211 1.00 0.00 C ATOM 1281 O LYS A 82 -2.341 -4.190 -8.174 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.715 -3.920 -5.964 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.417 -5.182 -6.428 1.00 0.00 C ATOM 1284 CD LYS A 82 -5.403 -5.285 -7.941 1.00 0.00 C ATOM 1285 CE LYS A 82 -5.129 -6.706 -8.405 1.00 0.00 C ATOM 1286 NZ LYS A 82 -4.644 -6.744 -9.812 1.00 0.00 N ATOM 0 H LYS A 82 -3.337 -2.991 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.953 -5.115 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.070 -3.660 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.988 -3.096 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.928 -6.055 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.446 -5.183 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.362 -4.951 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.642 -4.617 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.387 -7.165 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.040 -7.299 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.533 -7.733 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.333 -6.268 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.727 -6.257 -9.876 1.00 0.00 H new ATOM 1300 N ASP A 83 -2.304 -2.152 -7.194 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.690 -1.465 -8.331 1.00 0.00 C ATOM 1302 C ASP A 83 -1.421 0.009 -8.008 1.00 0.00 C ATOM 1303 O ASP A 83 -2.034 0.581 -7.104 1.00 0.00 O ATOM 1304 CB ASP A 83 -2.570 -1.575 -9.581 1.00 0.00 C ATOM 1305 CG ASP A 83 -4.034 -1.296 -9.297 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -4.389 -0.112 -9.126 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -4.824 -2.262 -9.247 1.00 0.00 O ATOM 0 H ASP A 83 -2.501 -1.545 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.737 -1.955 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.211 -0.874 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.471 -2.575 -10.003 1.00 0.00 H new ATOM 1312 N MET A 84 -0.490 0.611 -8.755 1.00 0.00 N ATOM 1313 CA MET A 84 -0.106 2.016 -8.564 1.00 0.00 C ATOM 1314 C MET A 84 -1.232 3.013 -8.893 1.00 0.00 C ATOM 1315 O MET A 84 -1.023 4.224 -8.793 1.00 0.00 O ATOM 1316 CB MET A 84 1.115 2.345 -9.428 1.00 0.00 C ATOM 1317 CG MET A 84 2.381 1.620 -9.007 1.00 0.00 C ATOM 1318 SD MET A 84 3.606 2.726 -8.284 1.00 0.00 S ATOM 1319 CE MET A 84 3.889 1.922 -6.712 1.00 0.00 C ATOM 0 H MET A 84 0.017 0.142 -9.506 1.00 0.00 H new ATOM 0 HA MET A 84 0.122 2.126 -7.504 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.892 2.094 -10.465 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.294 3.420 -9.392 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.127 0.843 -8.285 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.814 1.121 -9.874 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.894 2.154 -6.361 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.159 2.278 -5.985 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.786 0.843 -6.831 1.00 0.00 H new ATOM 1329 N SER A 85 -2.421 2.531 -9.269 1.00 0.00 N ATOM 1330 CA SER A 85 -3.527 3.429 -9.583 1.00 0.00 C ATOM 1331 C SER A 85 -4.094 4.043 -8.307 1.00 0.00 C ATOM 1332 O SER A 85 -4.748 5.085 -8.347 1.00 0.00 O ATOM 1333 CB SER A 85 -4.631 2.689 -10.343 1.00 0.00 C ATOM 1334 OG SER A 85 -4.088 1.856 -11.353 1.00 0.00 O ATOM 0 H SER A 85 -2.637 1.538 -9.361 1.00 0.00 H new ATOM 0 HA SER A 85 -3.144 4.227 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.215 2.087 -9.647 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.314 3.411 -10.791 1.00 0.00 H new ATOM 0 HG SER A 85 -4.005 0.941 -11.013 1.00 0.00 H new ATOM 1340 N ARG A 86 -3.839 3.385 -7.174 1.00 0.00 N ATOM 1341 CA ARG A 86 -4.323 3.857 -5.886 1.00 0.00 C ATOM 1342 C ARG A 86 -3.597 5.125 -5.441 1.00 0.00 C ATOM 1343 O ARG A 86 -4.235 6.150 -5.198 1.00 0.00 O ATOM 1344 CB ARG A 86 -4.178 2.752 -4.841 1.00 0.00 C ATOM 1345 CG ARG A 86 -4.887 1.464 -5.232 1.00 0.00 C ATOM 1346 CD ARG A 86 -6.357 1.498 -4.849 1.00 0.00 C ATOM 1347 NE ARG A 86 -7.184 0.590 -5.650 1.00 0.00 N ATOM 1348 CZ ARG A 86 -7.359 0.669 -6.975 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -6.727 1.587 -7.699 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -8.169 -0.191 -7.579 1.00 0.00 N ATOM 0 H ARG A 86 -3.298 2.522 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.378 4.111 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.119 2.544 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.577 3.105 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.794 1.308 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.402 0.618 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.457 1.236 -3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.732 2.515 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.665 -0.163 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.095 2.248 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.874 1.631 -8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.653 -0.905 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.308 -0.138 -8.588 1.00 0.00 H new ATOM 1364 N LEU A 87 -2.268 5.059 -5.329 1.00 0.00 N ATOM 1365 CA LEU A 87 -1.484 6.222 -4.905 1.00 0.00 C ATOM 1366 C LEU A 87 -1.372 7.274 -6.008 1.00 0.00 C ATOM 1367 O LEU A 87 -1.191 8.457 -5.710 1.00 0.00 O ATOM 1368 CB LEU A 87 -0.094 5.790 -4.422 1.00 0.00 C ATOM 1369 CG LEU A 87 -0.053 5.230 -2.992 1.00 0.00 C ATOM 1370 CD1 LEU A 87 -0.067 3.717 -3.004 1.00 0.00 C ATOM 1371 CD2 LEU A 87 1.169 5.734 -2.241 1.00 0.00 C ATOM 0 H LEU A 87 -1.717 4.223 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.015 6.685 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.293 5.033 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.578 6.646 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.945 5.583 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.037 3.345 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.976 3.365 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.802 3.349 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.172 5.322 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.072 5.420 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.140 6.822 -2.188 1.00 0.00 H new ATOM 1383 N GLY A 88 -1.505 6.865 -7.275 1.00 0.00 N ATOM 1384 CA GLY A 88 -1.437 7.834 -8.357 1.00 0.00 C ATOM 1385 C GLY A 88 -0.579 7.401 -9.527 1.00 0.00 C ATOM 1386 O GLY A 88 0.374 6.638 -9.366 1.00 0.00 O ATOM 0 H GLY A 88 -1.656 5.898 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.447 8.032 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.048 8.773 -7.964 1.00 0.00 H new ATOM 1390 N ARG A 89 -0.916 7.921 -10.708 1.00 0.00 N ATOM 1391 CA ARG A 89 -0.175 7.626 -11.930 1.00 0.00 C ATOM 1392 C ARG A 89 1.139 8.410 -11.962 1.00 0.00 C ATOM 1393 O ARG A 89 2.050 8.070 -12.715 1.00 0.00 O ATOM 1394 CB ARG A 89 -1.019 7.972 -13.160 1.00 0.00 C ATOM 1395 CG ARG A 89 -2.357 7.249 -13.208 1.00 0.00 C ATOM 1396 CD ARG A 89 -2.437 6.295 -14.386 1.00 0.00 C ATOM 1397 NE ARG A 89 -1.922 4.968 -14.056 1.00 0.00 N ATOM 1398 CZ ARG A 89 -2.663 3.984 -13.541 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -3.957 4.168 -13.290 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -2.106 2.808 -13.277 1.00 0.00 N ATOM 0 H ARG A 89 -1.705 8.554 -10.842 1.00 0.00 H new ATOM 0 HA ARG A 89 0.052 6.560 -11.945 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.197 9.047 -13.177 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.452 7.728 -14.059 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.505 6.696 -12.281 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.163 7.979 -13.276 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.473 6.210 -14.713 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.871 6.705 -15.223 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.934 4.782 -14.230 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.393 5.068 -13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.513 3.409 -12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.115 2.659 -13.468 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.669 2.054 -12.884 1.00 0.00 H new ATOM 1414 N ASN A 90 1.222 9.462 -11.135 1.00 0.00 N ATOM 1415 CA ASN A 90 2.418 10.303 -11.055 1.00 0.00 C ATOM 1416 C ASN A 90 3.591 9.528 -10.455 1.00 0.00 C ATOM 1417 O ASN A 90 3.898 9.652 -9.269 1.00 0.00 O ATOM 1418 CB ASN A 90 2.144 11.572 -10.229 1.00 0.00 C ATOM 1419 CG ASN A 90 1.160 11.346 -9.092 1.00 0.00 C ATOM 1420 OD1 ASN A 90 0.000 11.748 -9.175 1.00 0.00 O ATOM 1421 ND2 ASN A 90 1.617 10.701 -8.024 1.00 0.00 N ATOM 0 H ASN A 90 0.469 9.749 -10.510 1.00 0.00 H new ATOM 0 HA ASN A 90 2.682 10.601 -12.070 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.084 11.941 -9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.756 12.349 -10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.999 10.523 -7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.586 10.384 -7.995 1.00 0.00 H new ATOM 1428 N TYR A 91 4.243 8.730 -11.299 1.00 0.00 N ATOM 1429 CA TYR A 91 5.391 7.915 -10.900 1.00 0.00 C ATOM 1430 C TYR A 91 6.511 8.760 -10.268 1.00 0.00 C ATOM 1431 O TYR A 91 7.402 8.216 -9.613 1.00 0.00 O ATOM 1432 CB TYR A 91 5.882 7.140 -12.128 1.00 0.00 C ATOM 1433 CG TYR A 91 7.135 6.307 -11.937 1.00 0.00 C ATOM 1434 CD1 TYR A 91 7.059 4.977 -11.535 1.00 0.00 C ATOM 1435 CD2 TYR A 91 8.389 6.840 -12.197 1.00 0.00 C ATOM 1436 CE1 TYR A 91 8.201 4.207 -11.392 1.00 0.00 C ATOM 1437 CE2 TYR A 91 9.532 6.078 -12.063 1.00 0.00 C ATOM 1438 CZ TYR A 91 9.434 4.764 -11.661 1.00 0.00 C ATOM 1439 OH TYR A 91 10.575 4.006 -11.527 1.00 0.00 O ATOM 0 H TYR A 91 3.990 8.630 -12.282 1.00 0.00 H new ATOM 0 HA TYR A 91 5.083 7.213 -10.125 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.080 6.481 -12.461 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.064 7.852 -12.933 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.093 4.538 -11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.473 7.870 -12.510 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.127 3.178 -11.072 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.499 6.510 -12.272 1.00 0.00 H new ATOM 0 HH TYR A 91 10.366 3.184 -11.036 1.00 0.00 H new ATOM 1449 N LEU A 92 6.444 10.089 -10.434 1.00 0.00 N ATOM 1450 CA LEU A 92 7.433 10.989 -9.843 1.00 0.00 C ATOM 1451 C LEU A 92 7.225 11.044 -8.331 1.00 0.00 C ATOM 1452 O LEU A 92 8.109 10.673 -7.558 1.00 0.00 O ATOM 1453 CB LEU A 92 7.317 12.399 -10.432 1.00 0.00 C ATOM 1454 CG LEU A 92 7.567 12.514 -11.937 1.00 0.00 C ATOM 1455 CD1 LEU A 92 6.420 11.896 -12.719 1.00 0.00 C ATOM 1456 CD2 LEU A 92 7.756 13.971 -12.330 1.00 0.00 C ATOM 0 H LEU A 92 5.716 10.559 -10.972 1.00 0.00 H new ATOM 0 HA LEU A 92 8.429 10.607 -10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.319 12.781 -10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.024 13.048 -9.915 1.00 0.00 H new ATOM 0 HG LEU A 92 8.478 11.967 -12.179 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.617 11.988 -13.787 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.327 10.842 -12.457 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.493 12.414 -12.475 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.933 14.038 -13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.860 14.536 -12.074 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.611 14.384 -11.795 1.00 0.00 H new ATOM 1468 N GLN A 93 6.029 11.487 -7.926 1.00 0.00 N ATOM 1469 CA GLN A 93 5.664 11.571 -6.511 1.00 0.00 C ATOM 1470 C GLN A 93 5.610 10.174 -5.906 1.00 0.00 C ATOM 1471 O GLN A 93 6.198 9.925 -4.853 1.00 0.00 O ATOM 1472 CB GLN A 93 4.305 12.258 -6.354 1.00 0.00 C ATOM 1473 CG GLN A 93 4.378 13.776 -6.316 1.00 0.00 C ATOM 1474 CD GLN A 93 5.327 14.296 -5.251 1.00 0.00 C ATOM 1475 OE1 GLN A 93 6.618 14.328 -5.566 1.00 0.00 O flip ATOM 1476 NE2 GLN A 93 4.904 14.670 -4.157 1.00 0.00 N flip ATOM 0 H GLN A 93 5.295 11.794 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 93 6.418 12.159 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.660 11.956 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.835 11.904 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.698 14.144 -7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.381 14.178 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.905 14.629 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.553 15.021 -3.452 1.00 0.00 H new ATOM 1485 N VAL A 94 4.925 9.255 -6.593 1.00 0.00 N ATOM 1486 CA VAL A 94 4.833 7.874 -6.129 1.00 0.00 C ATOM 1487 C VAL A 94 6.244 7.332 -5.894 1.00 0.00 C ATOM 1488 O VAL A 94 6.527 6.689 -4.871 1.00 0.00 O ATOM 1489 CB VAL A 94 4.085 6.965 -7.138 1.00 0.00 C ATOM 1490 CG1 VAL A 94 3.774 5.619 -6.510 1.00 0.00 C ATOM 1491 CG2 VAL A 94 2.799 7.623 -7.630 1.00 0.00 C ATOM 0 H VAL A 94 4.431 9.443 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 94 4.261 7.868 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 94 4.739 6.814 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.249 4.993 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.703 5.131 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.146 5.764 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.298 6.960 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.141 7.814 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.038 8.565 -8.124 1.00 0.00 H new ATOM 1501 N GLY A 95 7.141 7.644 -6.835 1.00 0.00 N ATOM 1502 CA GLY A 95 8.522 7.235 -6.714 1.00 0.00 C ATOM 1503 C GLY A 95 9.167 7.850 -5.496 1.00 0.00 C ATOM 1504 O GLY A 95 9.757 7.139 -4.696 1.00 0.00 O ATOM 0 H GLY A 95 6.926 8.175 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.578 6.148 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.071 7.530 -7.608 1.00 0.00 H new ATOM 1508 N PHE A 96 9.024 9.174 -5.343 1.00 0.00 N ATOM 1509 CA PHE A 96 9.577 9.885 -4.187 1.00 0.00 C ATOM 1510 C PHE A 96 9.316 9.085 -2.914 1.00 0.00 C ATOM 1511 O PHE A 96 10.209 8.891 -2.092 1.00 0.00 O ATOM 1512 CB PHE A 96 8.948 11.285 -4.069 1.00 0.00 C ATOM 1513 CG PHE A 96 8.951 11.848 -2.669 1.00 0.00 C ATOM 1514 CD1 PHE A 96 7.985 11.469 -1.745 1.00 0.00 C ATOM 1515 CD2 PHE A 96 9.921 12.754 -2.280 1.00 0.00 C ATOM 1516 CE1 PHE A 96 7.993 11.985 -0.464 1.00 0.00 C ATOM 1517 CE2 PHE A 96 9.933 13.272 -0.999 1.00 0.00 C ATOM 1518 CZ PHE A 96 8.968 12.887 -0.091 1.00 0.00 C ATOM 0 H PHE A 96 8.530 9.772 -6.006 1.00 0.00 H new ATOM 0 HA PHE A 96 10.652 9.997 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.486 11.969 -4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.920 11.241 -4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.219 10.763 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.678 13.060 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.237 11.683 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.697 13.978 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.976 13.291 0.910 1.00 0.00 H new ATOM 1528 N TYR A 97 8.080 8.613 -2.773 1.00 0.00 N ATOM 1529 CA TYR A 97 7.686 7.824 -1.617 1.00 0.00 C ATOM 1530 C TYR A 97 8.518 6.551 -1.511 1.00 0.00 C ATOM 1531 O TYR A 97 9.032 6.234 -0.448 1.00 0.00 O ATOM 1532 CB TYR A 97 6.200 7.466 -1.703 1.00 0.00 C ATOM 1533 CG TYR A 97 5.297 8.625 -1.363 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.227 9.117 -0.068 1.00 0.00 C ATOM 1535 CD2 TYR A 97 4.522 9.235 -2.340 1.00 0.00 C ATOM 1536 CE1 TYR A 97 4.409 10.181 0.245 1.00 0.00 C ATOM 1537 CE2 TYR A 97 3.701 10.300 -2.035 1.00 0.00 C ATOM 1538 CZ TYR A 97 3.647 10.771 -0.741 1.00 0.00 C ATOM 1539 OH TYR A 97 2.827 11.832 -0.432 1.00 0.00 O ATOM 0 H TYR A 97 7.333 8.766 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 97 7.862 8.425 -0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.973 7.118 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.991 6.638 -1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.823 8.659 0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.563 8.869 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.365 10.551 1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.103 10.763 -2.806 1.00 0.00 H new ATOM 0 HH TYR A 97 2.360 12.131 -1.240 1.00 0.00 H new ATOM 1549 N THR A 98 8.636 5.813 -2.612 1.00 0.00 N ATOM 1550 CA THR A 98 9.392 4.556 -2.605 1.00 0.00 C ATOM 1551 C THR A 98 10.921 4.740 -2.703 1.00 0.00 C ATOM 1552 O THR A 98 11.666 3.842 -2.308 1.00 0.00 O ATOM 1553 CB THR A 98 8.917 3.660 -3.750 1.00 0.00 C ATOM 1554 OG1 THR A 98 8.961 4.353 -4.985 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.509 3.145 -3.561 1.00 0.00 C ATOM 0 H THR A 98 8.224 6.057 -3.513 1.00 0.00 H new ATOM 0 HA THR A 98 9.197 4.094 -1.637 1.00 0.00 H new ATOM 0 HB THR A 98 9.600 2.810 -3.752 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.382 5.228 -4.854 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.235 2.516 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.456 2.560 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.819 3.987 -3.495 1.00 0.00 H new ATOM 1563 N GLU A 99 11.391 5.865 -3.261 1.00 0.00 N ATOM 1564 CA GLU A 99 12.838 6.087 -3.438 1.00 0.00 C ATOM 1565 C GLU A 99 13.494 6.891 -2.315 1.00 0.00 C ATOM 1566 O GLU A 99 14.600 6.554 -1.904 1.00 0.00 O ATOM 1567 CB GLU A 99 13.128 6.760 -4.782 1.00 0.00 C ATOM 1568 CG GLU A 99 12.336 8.032 -5.022 1.00 0.00 C ATOM 1569 CD GLU A 99 13.216 9.249 -5.224 1.00 0.00 C ATOM 1570 OE1 GLU A 99 13.791 9.394 -6.320 1.00 0.00 O ATOM 1571 OE2 GLU A 99 13.326 10.060 -4.286 1.00 0.00 O ATOM 0 H GLU A 99 10.801 6.628 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 99 13.281 5.092 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.192 6.991 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.912 6.054 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.703 7.899 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.674 8.206 -4.174 1.00 0.00 H new ATOM 1578 N VAL A 100 12.854 7.965 -1.847 1.00 0.00 N ATOM 1579 CA VAL A 100 13.442 8.793 -0.786 1.00 0.00 C ATOM 1580 C VAL A 100 12.723 8.637 0.558 1.00 0.00 C ATOM 1581 O VAL A 100 13.358 8.642 1.612 1.00 0.00 O ATOM 1582 CB VAL A 100 13.482 10.289 -1.177 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.089 10.836 -1.440 1.00 0.00 C ATOM 1584 CG2 VAL A 100 14.180 11.108 -0.103 1.00 0.00 C ATOM 0 H VAL A 100 11.942 8.280 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 100 14.462 8.428 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 100 14.051 10.370 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.157 11.889 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.628 10.280 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.482 10.732 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.197 12.157 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.643 11.005 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.202 10.750 0.021 1.00 0.00 H new ATOM 1594 N LEU A 101 11.400 8.534 0.513 1.00 0.00 N ATOM 1595 CA LEU A 101 10.584 8.417 1.724 1.00 0.00 C ATOM 1596 C LEU A 101 10.741 7.060 2.429 1.00 0.00 C ATOM 1597 O LEU A 101 11.205 6.994 3.564 1.00 0.00 O ATOM 1598 CB LEU A 101 9.110 8.637 1.367 1.00 0.00 C ATOM 1599 CG LEU A 101 8.258 9.277 2.460 1.00 0.00 C ATOM 1600 CD1 LEU A 101 8.348 8.462 3.742 1.00 0.00 C ATOM 1601 CD2 LEU A 101 8.699 10.710 2.709 1.00 0.00 C ATOM 0 H LEU A 101 10.863 8.529 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 101 10.934 9.180 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.059 9.264 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.670 7.675 1.104 1.00 0.00 H new ATOM 0 HG LEU A 101 7.220 9.291 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.736 8.929 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.988 7.450 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.385 8.422 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.081 11.150 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.743 10.720 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.590 11.289 1.792 1.00 0.00 H new ATOM 1613 N PHE A 102 10.316 5.996 1.750 1.00 0.00 N ATOM 1614 CA PHE A 102 10.351 4.628 2.284 1.00 0.00 C ATOM 1615 C PHE A 102 11.754 4.130 2.702 1.00 0.00 C ATOM 1616 O PHE A 102 11.860 3.323 3.625 1.00 0.00 O ATOM 1617 CB PHE A 102 9.759 3.663 1.253 1.00 0.00 C ATOM 1618 CG PHE A 102 8.263 3.780 1.054 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.587 4.931 1.422 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.535 2.737 0.488 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.226 5.044 1.232 1.00 0.00 C ATOM 1622 CE2 PHE A 102 6.170 2.848 0.296 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.517 4.004 0.668 1.00 0.00 C ATOM 0 H PHE A 102 9.934 6.055 0.806 1.00 0.00 H new ATOM 0 HA PHE A 102 9.758 4.653 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.252 3.830 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.991 2.642 1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 102 8.133 5.751 1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.043 1.830 0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.714 5.949 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.617 2.031 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.451 4.095 0.518 1.00 0.00 H new ATOM 1633 N PRO A 103 12.840 4.564 2.018 1.00 0.00 N ATOM 1634 CA PRO A 103 14.223 4.127 2.310 1.00 0.00 C ATOM 1635 C PRO A 103 14.567 3.999 3.790 1.00 0.00 C ATOM 1636 O PRO A 103 15.328 3.106 4.166 1.00 0.00 O ATOM 1637 CB PRO A 103 15.051 5.238 1.693 1.00 0.00 C ATOM 1638 CG PRO A 103 14.262 5.679 0.519 1.00 0.00 C ATOM 1639 CD PRO A 103 12.813 5.490 0.874 1.00 0.00 C ATOM 0 HA PRO A 103 14.397 3.124 1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.206 6.056 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.037 4.881 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.469 6.723 0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.523 5.095 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.341 6.436 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.249 5.075 0.039 1.00 0.00 H new ATOM 1647 N GLN A 104 14.030 4.888 4.625 1.00 0.00 N ATOM 1648 CA GLN A 104 14.323 4.843 6.066 1.00 0.00 C ATOM 1649 C GLN A 104 14.047 3.453 6.655 1.00 0.00 C ATOM 1650 O GLN A 104 14.592 3.104 7.702 1.00 0.00 O ATOM 1651 CB GLN A 104 13.540 5.893 6.866 1.00 0.00 C ATOM 1652 CG GLN A 104 12.956 7.022 6.037 1.00 0.00 C ATOM 1653 CD GLN A 104 12.462 8.179 6.883 1.00 0.00 C ATOM 1654 OE1 GLN A 104 13.150 9.187 7.034 1.00 0.00 O ATOM 1655 NE2 GLN A 104 11.265 8.041 7.442 1.00 0.00 N ATOM 0 H GLN A 104 13.400 5.638 4.340 1.00 0.00 H new ATOM 0 HA GLN A 104 15.385 5.071 6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.729 5.394 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 104 14.200 6.320 7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.713 7.384 5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 104 12.130 6.637 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.727 7.188 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.884 8.788 8.022 1.00 0.00 H new ATOM 1664 N LYS A 105 13.192 2.669 5.986 1.00 0.00 N ATOM 1665 CA LYS A 105 12.844 1.330 6.461 1.00 0.00 C ATOM 1666 C LYS A 105 13.151 0.234 5.430 1.00 0.00 C ATOM 1667 O LYS A 105 12.783 -0.923 5.644 1.00 0.00 O ATOM 1668 CB LYS A 105 11.354 1.270 6.819 1.00 0.00 C ATOM 1669 CG LYS A 105 10.790 2.579 7.347 1.00 0.00 C ATOM 1670 CD LYS A 105 10.127 3.393 6.248 1.00 0.00 C ATOM 1671 CE LYS A 105 10.708 4.793 6.176 1.00 0.00 C ATOM 1672 NZ LYS A 105 9.780 5.760 5.536 1.00 0.00 N ATOM 0 H LYS A 105 12.731 2.940 5.117 1.00 0.00 H new ATOM 0 HA LYS A 105 13.460 1.142 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.790 0.974 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.202 0.493 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.064 2.371 8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.591 3.164 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.260 2.891 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.054 3.451 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.948 5.136 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.643 4.767 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.328 6.511 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.198 5.267 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.163 6.180 6.260 1.00 0.00 H new ATOM 1686 N ASN A 106 13.807 0.586 4.313 1.00 0.00 N ATOM 1687 CA ASN A 106 14.123 -0.395 3.269 1.00 0.00 C ATOM 1688 C ASN A 106 12.842 -1.122 2.849 1.00 0.00 C ATOM 1689 O ASN A 106 12.588 -2.262 3.240 1.00 0.00 O ATOM 1690 CB ASN A 106 15.187 -1.375 3.766 1.00 0.00 C ATOM 1691 CG ASN A 106 15.606 -2.378 2.714 1.00 0.00 C ATOM 1692 OD1 ASN A 106 15.202 -3.541 2.749 1.00 0.00 O ATOM 1693 ND2 ASN A 106 16.427 -1.931 1.774 1.00 0.00 N ATOM 0 H ASN A 106 14.125 1.534 4.113 1.00 0.00 H new ATOM 0 HA ASN A 106 14.530 0.116 2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.063 -0.815 4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.804 -1.908 4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.751 -2.559 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.735 -0.959 1.786 1.00 0.00 H new ATOM 1700 N VAL A 107 12.021 -0.407 2.092 1.00 0.00 N ATOM 1701 CA VAL A 107 10.724 -0.896 1.640 1.00 0.00 C ATOM 1702 C VAL A 107 10.761 -1.764 0.385 1.00 0.00 C ATOM 1703 O VAL A 107 11.576 -1.569 -0.518 1.00 0.00 O ATOM 1704 CB VAL A 107 9.764 0.263 1.375 1.00 0.00 C ATOM 1705 CG1 VAL A 107 9.974 0.815 -0.036 1.00 0.00 C ATOM 1706 CG2 VAL A 107 8.330 -0.197 1.590 1.00 0.00 C ATOM 0 H VAL A 107 12.238 0.537 1.771 1.00 0.00 H new ATOM 0 HA VAL A 107 10.382 -1.525 2.462 1.00 0.00 H new ATOM 0 HB VAL A 107 9.969 1.071 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.283 1.640 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.999 1.172 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.790 0.027 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.649 0.633 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.104 -1.016 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.208 -0.538 2.618 1.00 0.00 H new ATOM 1716 N ARG A 108 9.799 -2.679 0.336 1.00 0.00 N ATOM 1717 CA ARG A 108 9.590 -3.562 -0.796 1.00 0.00 C ATOM 1718 C ARG A 108 8.178 -3.308 -1.308 1.00 0.00 C ATOM 1719 O ARG A 108 7.209 -3.851 -0.777 1.00 0.00 O ATOM 1720 CB ARG A 108 9.770 -5.032 -0.397 1.00 0.00 C ATOM 1721 CG ARG A 108 10.671 -5.816 -1.338 1.00 0.00 C ATOM 1722 CD ARG A 108 12.125 -5.759 -0.899 1.00 0.00 C ATOM 1723 NE ARG A 108 12.412 -6.699 0.184 1.00 0.00 N ATOM 1724 CZ ARG A 108 13.638 -6.960 0.644 1.00 0.00 C ATOM 1725 NH1 ARG A 108 14.698 -6.343 0.130 1.00 0.00 N ATOM 1726 NH2 ARG A 108 13.801 -7.839 1.625 1.00 0.00 N ATOM 0 H ARG A 108 9.134 -2.827 1.096 1.00 0.00 H new ATOM 0 HA ARG A 108 10.326 -3.360 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.184 -5.078 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.792 -5.512 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.342 -6.855 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.579 -5.416 -2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.769 -5.980 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.365 -4.747 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 108 11.626 -7.186 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.578 -5.664 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.631 -6.549 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.991 -8.313 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.736 -8.041 1.979 1.00 0.00 H new ATOM 1740 N PHE A 109 8.062 -2.435 -2.305 1.00 0.00 N ATOM 1741 CA PHE A 109 6.756 -2.067 -2.838 1.00 0.00 C ATOM 1742 C PHE A 109 6.227 -3.114 -3.812 1.00 0.00 C ATOM 1743 O PHE A 109 7.001 -3.792 -4.492 1.00 0.00 O ATOM 1744 CB PHE A 109 6.824 -0.712 -3.536 1.00 0.00 C ATOM 1745 CG PHE A 109 5.561 0.088 -3.403 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.452 -0.200 -4.183 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.486 1.127 -2.497 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.291 0.535 -4.059 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.332 1.870 -2.364 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.230 1.573 -3.147 1.00 0.00 C ATOM 0 H PHE A 109 8.851 -1.973 -2.757 1.00 0.00 H new ATOM 0 HA PHE A 109 6.070 -2.008 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.654 -0.139 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 109 7.039 -0.866 -4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.497 -1.010 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.343 1.361 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.433 0.301 -4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.288 2.681 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.323 2.151 -3.046 1.00 0.00 H new ATOM 1760 N LEU A 110 4.902 -3.244 -3.870 1.00 0.00 N ATOM 1761 CA LEU A 110 4.269 -4.212 -4.754 1.00 0.00 C ATOM 1762 C LEU A 110 3.046 -3.623 -5.460 1.00 0.00 C ATOM 1763 O LEU A 110 2.126 -3.104 -4.828 1.00 0.00 O ATOM 1764 CB LEU A 110 3.895 -5.475 -3.962 1.00 0.00 C ATOM 1765 CG LEU A 110 2.894 -6.438 -4.624 1.00 0.00 C ATOM 1766 CD1 LEU A 110 1.471 -5.927 -4.479 1.00 0.00 C ATOM 1767 CD2 LEU A 110 3.242 -6.665 -6.090 1.00 0.00 C ATOM 0 H LEU A 110 4.250 -2.690 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 110 4.984 -4.480 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.811 -6.028 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.483 -5.164 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 110 2.962 -7.397 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.783 -6.626 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.223 -5.837 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.385 -4.951 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.519 -7.349 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.215 -5.714 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.241 -7.094 -6.165 1.00 0.00 H new ATOM 1779 N ALA A 111 3.056 -3.756 -6.780 1.00 0.00 N ATOM 1780 CA ALA A 111 1.969 -3.307 -7.648 1.00 0.00 C ATOM 1781 C ALA A 111 1.520 -4.504 -8.465 1.00 0.00 C ATOM 1782 O ALA A 111 2.219 -4.939 -9.379 1.00 0.00 O ATOM 1783 CB ALA A 111 2.421 -2.158 -8.538 1.00 0.00 C ATOM 0 H ALA A 111 3.830 -4.185 -7.288 1.00 0.00 H new ATOM 0 HA ALA A 111 1.137 -2.926 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.594 -1.843 -9.174 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.741 -1.321 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.253 -2.486 -9.161 1.00 0.00 H new ATOM 1789 N ILE A 112 0.400 -5.087 -8.076 1.00 0.00 N ATOM 1790 CA ILE A 112 -0.084 -6.303 -8.729 1.00 0.00 C ATOM 1791 C ILE A 112 -0.605 -6.104 -10.164 1.00 0.00 C ATOM 1792 O ILE A 112 -0.326 -6.932 -11.033 1.00 0.00 O ATOM 1793 CB ILE A 112 -1.154 -6.995 -7.861 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.488 -7.591 -6.621 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -1.885 -8.074 -8.646 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.373 -7.605 -5.399 1.00 0.00 C ATOM 0 H ILE A 112 -0.191 -4.746 -7.318 1.00 0.00 H new ATOM 0 HA ILE A 112 0.793 -6.943 -8.826 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.893 -6.254 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.176 -8.611 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.415 -7.023 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.633 -8.544 -8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.375 -7.626 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.171 -8.826 -8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.830 -8.042 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.665 -6.585 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.265 -8.198 -5.602 1.00 0.00 H new ATOM 1808 N ASN A 113 -1.374 -5.046 -10.416 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.938 -4.814 -11.754 1.00 0.00 C ATOM 1810 C ASN A 113 -0.977 -4.080 -12.707 1.00 0.00 C ATOM 1811 O ASN A 113 -1.430 -3.370 -13.606 1.00 0.00 O ATOM 1812 CB ASN A 113 -3.255 -4.036 -11.643 1.00 0.00 C ATOM 1813 CG ASN A 113 -4.369 -4.646 -12.477 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -5.466 -4.889 -11.977 1.00 0.00 O ATOM 1815 ND2 ASN A 113 -4.097 -4.896 -13.754 1.00 0.00 N ATOM 0 H ASN A 113 -1.622 -4.340 -9.723 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.116 -5.798 -12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.565 -4.002 -10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -3.092 -3.006 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -4.811 -5.304 -14.357 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.174 -4.680 -14.131 1.00 0.00 H new ATOM 1822 N ASN A 114 0.338 -4.268 -12.529 1.00 0.00 N ATOM 1823 CA ASN A 114 1.341 -3.631 -13.396 1.00 0.00 C ATOM 1824 C ASN A 114 2.748 -3.766 -12.820 1.00 0.00 C ATOM 1825 O ASN A 114 2.919 -4.024 -11.631 1.00 0.00 O ATOM 1826 CB ASN A 114 1.032 -2.147 -13.610 1.00 0.00 C ATOM 1827 CG ASN A 114 0.874 -1.797 -15.080 1.00 0.00 C ATOM 1828 OD1 ASN A 114 1.977 -1.432 -15.726 1.00 0.00 O flip ATOM 1829 ND2 ASN A 114 -0.225 -1.858 -15.631 1.00 0.00 N flip ATOM 0 H ASN A 114 0.732 -4.855 -11.794 1.00 0.00 H new ATOM 0 HA ASN A 114 1.297 -4.150 -14.354 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.117 -1.888 -13.077 1.00 0.00 H new ATOM 0 HB3 ASN A 114 1.833 -1.546 -13.180 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.047 -2.143 -15.099 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.313 -1.624 -16.620 1.00 0.00 H new ATOM 1836 N SER A 115 3.752 -3.570 -13.674 1.00 0.00 N ATOM 1837 CA SER A 115 5.149 -3.651 -13.252 1.00 0.00 C ATOM 1838 C SER A 115 5.492 -2.476 -12.338 1.00 0.00 C ATOM 1839 O SER A 115 5.588 -1.335 -12.791 1.00 0.00 O ATOM 1840 CB SER A 115 6.080 -3.663 -14.471 1.00 0.00 C ATOM 1841 OG SER A 115 5.690 -2.692 -15.428 1.00 0.00 O ATOM 0 H SER A 115 3.623 -3.354 -14.663 1.00 0.00 H new ATOM 0 HA SER A 115 5.290 -4.580 -12.700 1.00 0.00 H new ATOM 0 HB2 SER A 115 7.104 -3.470 -14.151 1.00 0.00 H new ATOM 0 HB3 SER A 115 6.070 -4.652 -14.929 1.00 0.00 H new ATOM 0 HG SER A 115 5.492 -1.846 -14.974 1.00 0.00 H new ATOM 1847 N ILE A 116 5.658 -2.760 -11.045 1.00 0.00 N ATOM 1848 CA ILE A 116 5.974 -1.722 -10.063 1.00 0.00 C ATOM 1849 C ILE A 116 7.233 -0.937 -10.450 1.00 0.00 C ATOM 1850 O ILE A 116 7.281 0.282 -10.288 1.00 0.00 O ATOM 1851 CB ILE A 116 6.117 -2.316 -8.635 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.451 -1.396 -7.606 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.575 -2.555 -8.273 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.195 -0.098 -7.370 1.00 0.00 C ATOM 0 H ILE A 116 5.579 -3.699 -10.654 1.00 0.00 H new ATOM 0 HA ILE A 116 5.136 -1.025 -10.058 1.00 0.00 H new ATOM 0 HB ILE A 116 5.612 -3.282 -8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.439 -1.168 -7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.362 -1.930 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.637 -2.971 -7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.016 -3.255 -8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.118 -1.611 -8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.661 0.498 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.199 -0.315 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.261 0.459 -8.305 1.00 0.00 H new ATOM 1866 N ASP A 117 8.245 -1.636 -10.965 1.00 0.00 N ATOM 1867 CA ASP A 117 9.492 -0.993 -11.375 1.00 0.00 C ATOM 1868 C ASP A 117 10.306 -1.907 -12.291 1.00 0.00 C ATOM 1869 O ASP A 117 10.575 -1.560 -13.441 1.00 0.00 O ATOM 1870 CB ASP A 117 10.324 -0.615 -10.149 1.00 0.00 C ATOM 1871 CG ASP A 117 10.716 0.849 -10.144 1.00 0.00 C ATOM 1872 OD1 ASP A 117 9.809 1.705 -10.112 1.00 0.00 O ATOM 1873 OD2 ASP A 117 11.930 1.139 -10.171 1.00 0.00 O ATOM 0 H ASP A 117 8.225 -2.646 -11.108 1.00 0.00 H new ATOM 0 HA ASP A 117 9.236 -0.089 -11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.757 -0.839 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.224 -1.229 -10.121 1.00 0.00 H new ATOM 1878 N SER A 118 10.692 -3.078 -11.766 1.00 0.00 N ATOM 1879 CA SER A 118 11.477 -4.058 -12.521 1.00 0.00 C ATOM 1880 C SER A 118 12.931 -3.599 -12.686 1.00 0.00 C ATOM 1881 O SER A 118 13.389 -2.704 -11.974 1.00 0.00 O ATOM 1882 CB SER A 118 10.831 -4.313 -13.887 1.00 0.00 C ATOM 1883 OG SER A 118 11.154 -5.604 -14.373 1.00 0.00 O ATOM 0 H SER A 118 10.470 -3.369 -10.814 1.00 0.00 H new ATOM 0 HA SER A 118 11.488 -4.991 -11.958 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.749 -4.213 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.168 -3.559 -14.598 1.00 0.00 H new ATOM 0 HG SER A 118 10.728 -5.741 -15.245 1.00 0.00 H new ATOM 1889 N ASN A 119 13.654 -4.225 -13.622 1.00 0.00 N ATOM 1890 CA ASN A 119 15.052 -3.891 -13.875 1.00 0.00 C ATOM 1891 C ASN A 119 15.200 -2.466 -14.407 1.00 0.00 C ATOM 1892 O ASN A 119 14.226 -1.716 -14.490 1.00 0.00 O ATOM 1893 CB ASN A 119 15.661 -4.879 -14.871 1.00 0.00 C ATOM 1894 CG ASN A 119 16.421 -5.977 -14.175 1.00 0.00 C ATOM 1895 OD1 ASN A 119 17.641 -6.084 -14.293 1.00 0.00 O ATOM 1896 ND2 ASN A 119 15.696 -6.803 -13.441 1.00 0.00 N ATOM 0 H ASN A 119 13.288 -4.968 -14.217 1.00 0.00 H new ATOM 0 HA ASN A 119 15.584 -3.957 -12.926 1.00 0.00 H new ATOM 0 HB2 ASN A 119 14.870 -5.315 -15.481 1.00 0.00 H new ATOM 0 HB3 ASN A 119 16.329 -4.347 -15.548 1.00 0.00 H new ATOM 0 HD21 ASN A 119 16.146 -7.570 -12.941 1.00 0.00 H new ATOM 0 HD22 ASN A 119 14.686 -6.673 -13.374 1.00 0.00 H new ATOM 1903 N ASN A 120 16.434 -2.113 -14.772 1.00 0.00 N ATOM 1904 CA ASN A 120 16.756 -0.791 -15.308 1.00 0.00 C ATOM 1905 C ASN A 120 16.695 0.283 -14.218 1.00 0.00 C ATOM 1906 O ASN A 120 15.584 0.572 -13.721 1.00 0.00 O ATOM 1907 CB ASN A 120 15.820 -0.442 -16.467 1.00 0.00 C ATOM 1908 CG ASN A 120 16.152 0.891 -17.116 1.00 0.00 C ATOM 1909 OD1 ASN A 120 15.876 1.952 -16.557 1.00 0.00 O ATOM 1910 ND2 ASN A 120 16.743 0.844 -18.306 1.00 0.00 N ATOM 1911 OXT ASN A 120 17.763 0.823 -13.867 1.00 0.00 O ATOM 0 H ASN A 120 17.238 -2.737 -14.704 1.00 0.00 H new ATOM 0 HA ASN A 120 17.779 -0.821 -15.684 1.00 0.00 H new ATOM 0 HB2 ASN A 120 15.872 -1.229 -17.219 1.00 0.00 H new ATOM 0 HB3 ASN A 120 14.793 -0.417 -16.103 1.00 0.00 H new ATOM 0 HD21 ASN A 120 16.985 1.709 -18.790 1.00 0.00 H new ATOM 0 HD22 ASN A 120 16.955 -0.057 -18.735 1.00 0.00 H new TER 1918 ASN A 120