USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 31 SER OG : rot -36:sc= 0.0144 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 138 HIS : no HE2:sc= -1.03 K(o=-2.4,f=-0.36) USER MOD Set 2.2: A 141 GLN : amide:sc= -1.36 K(o=-2.4,f=-6.1!) USER MOD Set 3.1: A 110 THR OG1 : rot 164:sc= 1.24 USER MOD Set 3.2: A 139 TYR OH : rot -130:sc= 0.525 USER MOD Set 4.1: A 126 LYS NZ :NH3+ -162:sc= 0.122 (180deg=0) USER MOD Set 4.2: A 128 ASN : amide:sc= -0.982 K(o=-0.86,f=-0.084) USER MOD Set 5.1: A 113 SER OG : rot -146:sc= 0.0268 USER MOD Set 5.2: A 116 HIS : no HE2:sc= -2.45 K(o=-3,f=-4.4!) USER MOD Set 5.3: A 119 LYS NZ :NH3+ -139:sc= -0.626 (180deg=0) USER MOD Set 6.1: A 109 ASN : amide:sc= -0.621 K(o=-0.62,f=-2.1!) USER MOD Set 6.2: A 111 TYR OH : rot 0:sc= 0 USER MOD Set 7.1: A 72 SER OG : rot 158:sc= 1.72 USER MOD Set 7.2: A 75 THR OG1 : rot -166:sc= 0.855 USER MOD Set 8.1: A 71 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.028) USER MOD Set 8.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 9.1: A 59 GLN : amide:sc= 1.25 K(o=2.5,f=-2.3) USER MOD Set 9.2: A 73 THR OG1 : rot -145:sc= 1.3 USER MOD Set10.1: A 54 GLN : amide:sc= 0.451 K(o=-2.9,f=-5.8) USER MOD Set10.2: A 55 HIS : no HD1:sc= -3.36! C(o=-2.9!,f=-8.6!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -86:sc= 0.347 USER MOD Single : A 32 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.3) USER MOD Single : A 35 HIS : no HD1:sc= -0.958 K(o=-0.52,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot -126:sc= 0.917 USER MOD Single : A 48 THR OG1 : rot -13:sc= -1.5 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.268 K(o=-0.27,f=-3.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.202 USER MOD Single : A 69 TYR OH : rot 147:sc= 0.58 USER MOD Single : A 77 GLN : amide:sc= -1 X(o=-1,f=-0.92) USER MOD Single : A 81 MET CE :methyl 154:sc= -0.256 (180deg=-1.11) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 88 TYR OH : rot -43:sc= 0.291 USER MOD Single : A 90 SER OG : rot -99:sc= 1.29 USER MOD Single : A 91 GLN : amide:sc= 0.419 K(o=0.42,f=-5.6!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 94 ASN : amide:sc= -0.671 K(o=-0.67,f=-4.9!) USER MOD Single : A 97 CYS SG : rot 44:sc= -5.25! USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 107 HIS : no HD1:sc= -0.45 K(o=-0.45,f=-2.9) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 CYS SG : rot -2:sc= -1.16 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 124:sc= 0.526 USER MOD Single : A 152 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 153 SER OG : rot 54:sc= 0.0433 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -5.850 8.078 4.549 1.00 0.00 N ATOM 2 CA LEU A 28 -6.516 7.964 3.236 1.00 0.00 C ATOM 3 C LEU A 28 -7.677 6.946 3.232 1.00 0.00 C ATOM 4 O LEU A 28 -7.596 5.862 3.801 1.00 0.00 O ATOM 5 CB LEU A 28 -5.454 7.579 2.201 1.00 0.00 C ATOM 6 CG LEU A 28 -5.969 7.674 0.759 1.00 0.00 C ATOM 7 CD1 LEU A 28 -5.065 8.575 -0.081 1.00 0.00 C ATOM 8 CD2 LEU A 28 -6.088 6.273 0.134 1.00 0.00 C ATOM 0 HA LEU A 28 -6.969 8.925 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.588 8.230 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.116 6.561 2.395 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.963 8.121 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.449 8.628 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.045 9.575 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.055 8.166 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.455 6.361 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.110 5.793 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.784 5.672 0.719 1.00 0.00 H new ATOM 9 N TYR A 29 -8.743 7.331 2.532 1.00 0.00 N ATOM 10 CA TYR A 29 -9.941 6.489 2.392 1.00 0.00 C ATOM 11 C TYR A 29 -9.733 5.226 1.562 1.00 0.00 C ATOM 12 O TYR A 29 -9.194 5.234 0.460 1.00 0.00 O ATOM 13 CB TYR A 29 -11.099 7.281 1.792 1.00 0.00 C ATOM 14 CG TYR A 29 -11.766 8.126 2.862 1.00 0.00 C ATOM 15 CD1 TYR A 29 -12.822 7.553 3.593 1.00 0.00 C ATOM 16 CD2 TYR A 29 -11.364 9.462 3.027 1.00 0.00 C ATOM 17 CE1 TYR A 29 -13.527 8.351 4.506 1.00 0.00 C ATOM 18 CE2 TYR A 29 -12.068 10.269 3.940 1.00 0.00 C ATOM 19 CZ TYR A 29 -13.137 9.706 4.652 1.00 0.00 C ATOM 20 OH TYR A 29 -13.869 10.472 5.501 1.00 0.00 O ATOM 0 H TYR A 29 -8.806 8.227 2.048 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.173 6.171 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.734 7.921 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.826 6.599 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.086 6.515 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.532 9.861 2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.345 7.944 5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.790 11.302 4.089 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.504 11.382 5.518 1.00 0.00 H new ATOM 21 N CYS A 30 -10.182 4.162 2.200 1.00 0.00 N ATOM 22 CA CYS A 30 -10.300 2.823 1.603 1.00 0.00 C ATOM 23 C CYS A 30 -11.752 2.391 1.854 1.00 0.00 C ATOM 24 O CYS A 30 -12.430 2.943 2.729 1.00 0.00 O ATOM 25 CB CYS A 30 -9.360 1.868 2.340 1.00 0.00 C ATOM 26 SG CYS A 30 -8.774 0.432 1.374 1.00 0.00 S ATOM 0 H CYS A 30 -10.485 4.194 3.173 1.00 0.00 H new ATOM 0 HA CYS A 30 -10.047 2.818 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.492 2.432 2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.870 1.500 3.230 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.639 -0.534 1.465 1.00 0.00 H new ATOM 27 N SER A 31 -12.183 1.335 1.177 1.00 0.00 N ATOM 28 CA SER A 31 -13.442 0.632 1.527 1.00 0.00 C ATOM 29 C SER A 31 -13.288 -0.228 2.806 1.00 0.00 C ATOM 30 O SER A 31 -14.172 -1.014 3.152 1.00 0.00 O ATOM 31 CB SER A 31 -13.888 -0.237 0.345 1.00 0.00 C ATOM 32 OG SER A 31 -15.194 -0.750 0.607 1.00 0.00 O ATOM 0 H SER A 31 -11.689 0.935 0.379 1.00 0.00 H new ATOM 0 HA SER A 31 -14.203 1.383 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.892 0.351 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.185 -1.057 0.195 1.00 0.00 H new ATOM 0 HG SER A 31 -15.283 -0.944 1.563 1.00 0.00 H new ATOM 33 N ASN A 32 -12.351 0.212 3.633 1.00 0.00 N ATOM 34 CA ASN A 32 -11.830 -0.443 4.840 1.00 0.00 C ATOM 35 C ASN A 32 -11.544 0.679 5.852 1.00 0.00 C ATOM 36 O ASN A 32 -11.789 1.847 5.563 1.00 0.00 O ATOM 37 CB ASN A 32 -10.538 -1.155 4.450 1.00 0.00 C ATOM 38 CG ASN A 32 -9.953 -2.119 5.488 1.00 0.00 C ATOM 39 OD1 ASN A 32 -10.279 -3.294 5.552 1.00 0.00 O ATOM 40 ND2 ASN A 32 -8.996 -1.635 6.253 1.00 0.00 N ATOM 0 H ASN A 32 -11.893 1.109 3.470 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.523 -1.167 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.718 -1.711 3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.786 -0.399 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.513 -2.245 6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.738 -0.651 6.185 1.00 0.00 H new ATOM 41 N GLY A 33 -11.041 0.295 7.031 1.00 0.00 N ATOM 42 CA GLY A 33 -10.441 1.217 8.014 1.00 0.00 C ATOM 43 C GLY A 33 -9.338 2.009 7.302 1.00 0.00 C ATOM 44 O GLY A 33 -8.412 1.409 6.761 1.00 0.00 O ATOM 0 H GLY A 33 -11.037 -0.678 7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.197 1.892 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.029 0.662 8.857 1.00 0.00 H new ATOM 45 N GLY A 34 -9.765 3.219 6.957 1.00 0.00 N ATOM 46 CA GLY A 34 -8.978 4.250 6.260 1.00 0.00 C ATOM 47 C GLY A 34 -7.867 4.810 7.156 1.00 0.00 C ATOM 48 O GLY A 34 -8.111 5.416 8.197 1.00 0.00 O ATOM 0 H GLY A 34 -10.714 3.530 7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.539 3.826 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.636 5.060 5.945 1.00 0.00 H new ATOM 49 N HIS A 35 -6.673 4.660 6.614 1.00 0.00 N ATOM 50 CA HIS A 35 -5.391 5.026 7.245 1.00 0.00 C ATOM 51 C HIS A 35 -4.403 5.314 6.091 1.00 0.00 C ATOM 52 O HIS A 35 -4.744 5.132 4.928 1.00 0.00 O ATOM 53 CB HIS A 35 -4.869 3.841 8.066 1.00 0.00 C ATOM 54 CG HIS A 35 -5.811 3.188 9.083 1.00 0.00 C ATOM 55 ND1 HIS A 35 -6.567 2.129 8.831 1.00 0.00 N ATOM 56 CD2 HIS A 35 -5.876 3.424 10.382 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.089 1.689 9.967 1.00 0.00 C ATOM 58 NE2 HIS A 35 -6.665 2.504 10.933 1.00 0.00 N ATOM 0 H HIS A 35 -6.550 4.264 5.682 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.505 5.887 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.548 3.069 7.367 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.981 4.174 8.603 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.375 4.225 10.906 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.736 0.832 10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.904 2.435 11.922 1.00 0.00 H new ATOM 59 N PHE A 36 -3.142 5.542 6.428 1.00 0.00 N ATOM 60 CA PHE A 36 -2.104 5.712 5.388 1.00 0.00 C ATOM 61 C PHE A 36 -1.181 4.490 5.436 1.00 0.00 C ATOM 62 O PHE A 36 -1.038 3.866 6.483 1.00 0.00 O ATOM 63 CB PHE A 36 -1.285 6.992 5.556 1.00 0.00 C ATOM 64 CG PHE A 36 -2.015 8.248 5.063 1.00 0.00 C ATOM 65 CD1 PHE A 36 -2.820 8.973 5.969 1.00 0.00 C ATOM 66 CD2 PHE A 36 -1.757 8.739 3.764 1.00 0.00 C ATOM 67 CE1 PHE A 36 -3.366 10.210 5.576 1.00 0.00 C ATOM 68 CE2 PHE A 36 -2.289 9.974 3.365 1.00 0.00 C ATOM 69 CZ PHE A 36 -3.098 10.711 4.281 1.00 0.00 C ATOM 0 H PHE A 36 -2.805 5.615 7.388 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.603 5.798 4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.031 7.117 6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.346 6.889 5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.015 8.581 6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.151 8.164 3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.985 10.772 6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.089 10.362 2.377 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.511 11.663 3.982 1.00 0.00 H new ATOM 70 N LEU A 37 -0.498 4.254 4.328 1.00 0.00 N ATOM 71 CA LEU A 37 0.453 3.136 4.189 1.00 0.00 C ATOM 72 C LEU A 37 1.839 3.520 4.767 1.00 0.00 C ATOM 73 O LEU A 37 2.895 3.114 4.277 1.00 0.00 O ATOM 74 CB LEU A 37 0.526 2.775 2.696 1.00 0.00 C ATOM 75 CG LEU A 37 -0.767 2.091 2.261 1.00 0.00 C ATOM 76 CD1 LEU A 37 -1.080 2.398 0.790 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.683 0.583 2.522 1.00 0.00 C ATOM 0 H LEU A 37 -0.580 4.829 3.489 1.00 0.00 H new ATOM 0 HA LEU A 37 0.119 2.267 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.688 3.675 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.375 2.116 2.514 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.591 2.487 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.006 1.900 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.192 3.474 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.265 2.038 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.612 0.107 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.150 0.162 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.527 0.406 3.586 1.00 0.00 H new ATOM 78 N ARG A 38 1.762 4.103 5.967 1.00 0.00 N ATOM 79 CA ARG A 38 2.865 4.781 6.658 1.00 0.00 C ATOM 80 C ARG A 38 4.063 3.875 6.979 1.00 0.00 C ATOM 81 O ARG A 38 3.957 2.965 7.796 1.00 0.00 O ATOM 82 CB ARG A 38 2.335 5.507 7.917 1.00 0.00 C ATOM 83 CG ARG A 38 3.453 6.039 8.842 1.00 0.00 C ATOM 84 CD ARG A 38 3.106 7.116 9.871 1.00 0.00 C ATOM 85 NE ARG A 38 2.609 6.707 11.193 1.00 0.00 N ATOM 86 CZ ARG A 38 1.616 5.903 11.579 1.00 0.00 C ATOM 87 NH1 ARG A 38 1.182 4.875 10.865 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.317 5.868 12.875 1.00 0.00 N ATOM 0 H ARG A 38 0.896 4.117 6.506 1.00 0.00 H new ATOM 0 HA ARG A 38 3.262 5.518 5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.704 6.340 7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.703 4.822 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.868 5.188 9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.247 6.432 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.999 7.720 10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.355 7.767 9.424 1.00 0.00 H new ATOM 0 HE ARG A 38 3.126 7.120 11.969 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.612 4.661 9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.418 4.297 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.840 6.443 13.535 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.564 5.266 13.209 1.00 0.00 H new ATOM 89 N ILE A 39 5.153 4.114 6.256 1.00 0.00 N ATOM 90 CA ILE A 39 6.472 3.693 6.747 1.00 0.00 C ATOM 91 C ILE A 39 6.899 4.552 7.921 1.00 0.00 C ATOM 92 O ILE A 39 7.272 5.719 7.802 1.00 0.00 O ATOM 93 CB ILE A 39 7.577 3.613 5.655 1.00 0.00 C ATOM 94 CG1 ILE A 39 8.896 3.066 6.226 1.00 0.00 C ATOM 95 CG2 ILE A 39 7.834 4.951 4.963 1.00 0.00 C ATOM 96 CD1 ILE A 39 8.848 1.603 6.676 1.00 0.00 C ATOM 0 H ILE A 39 5.158 4.584 5.351 1.00 0.00 H new ATOM 0 HA ILE A 39 6.351 2.663 7.083 1.00 0.00 H new ATOM 0 HB ILE A 39 7.195 2.921 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.674 3.173 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.190 3.682 7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.615 4.828 4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.918 5.293 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.152 5.687 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.824 1.309 7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.097 1.487 7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.589 0.970 5.828 1.00 0.00 H new ATOM 97 N LEU A 40 6.714 3.944 9.078 1.00 0.00 N ATOM 98 CA LEU A 40 7.224 4.500 10.324 1.00 0.00 C ATOM 99 C LEU A 40 8.757 4.545 10.255 1.00 0.00 C ATOM 100 O LEU A 40 9.350 3.541 9.856 1.00 0.00 O ATOM 101 CB LEU A 40 6.837 3.683 11.554 1.00 0.00 C ATOM 102 CG LEU A 40 5.402 3.811 12.063 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.189 5.248 12.505 1.00 0.00 C ATOM 104 CD2 LEU A 40 4.364 3.386 11.031 1.00 0.00 C ATOM 0 H LEU A 40 6.213 3.062 9.184 1.00 0.00 H new ATOM 0 HA LEU A 40 6.783 5.491 10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.023 2.632 11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.508 3.960 12.367 1.00 0.00 H new ATOM 0 HG LEU A 40 5.264 3.130 12.903 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.170 5.368 12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.894 5.493 13.300 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.350 5.916 11.659 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.365 3.500 11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.457 4.011 10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.527 2.343 10.759 1.00 0.00 H new ATOM 105 N PRO A 41 9.383 5.595 10.801 1.00 0.00 N ATOM 106 CA PRO A 41 10.850 5.725 10.857 1.00 0.00 C ATOM 107 C PRO A 41 11.507 4.555 11.629 1.00 0.00 C ATOM 108 O PRO A 41 12.577 4.076 11.265 1.00 0.00 O ATOM 109 CB PRO A 41 11.083 7.087 11.496 1.00 0.00 C ATOM 110 CG PRO A 41 9.850 7.295 12.380 1.00 0.00 C ATOM 111 CD PRO A 41 8.714 6.681 11.555 1.00 0.00 C ATOM 0 HA PRO A 41 11.317 5.668 9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.002 7.101 12.082 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.172 7.871 10.744 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.959 6.800 13.345 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.674 8.352 12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.918 6.296 12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.261 7.414 10.887 1.00 0.00 H new ATOM 112 N ASP A 42 10.682 3.930 12.475 1.00 0.00 N ATOM 113 CA ASP A 42 10.949 2.715 13.268 1.00 0.00 C ATOM 114 C ASP A 42 10.727 1.409 12.451 1.00 0.00 C ATOM 115 O ASP A 42 10.126 0.448 12.929 1.00 0.00 O ATOM 116 CB ASP A 42 9.995 2.819 14.462 1.00 0.00 C ATOM 117 CG ASP A 42 10.395 3.975 15.380 1.00 0.00 C ATOM 118 OD1 ASP A 42 11.253 3.761 16.253 1.00 0.00 O ATOM 119 OD2 ASP A 42 9.867 5.079 15.120 1.00 0.00 O ATOM 0 H ASP A 42 9.739 4.282 12.639 1.00 0.00 H new ATOM 0 HA ASP A 42 11.992 2.657 13.580 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.975 2.968 14.106 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.004 1.884 15.022 1.00 0.00 H new ATOM 120 N GLY A 43 11.049 1.503 11.160 1.00 0.00 N ATOM 121 CA GLY A 43 11.059 0.417 10.161 1.00 0.00 C ATOM 122 C GLY A 43 9.768 -0.393 9.941 1.00 0.00 C ATOM 123 O GLY A 43 9.872 -1.554 9.573 1.00 0.00 O ATOM 0 H GLY A 43 11.329 2.395 10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.345 0.851 9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.846 -0.283 10.441 1.00 0.00 H new ATOM 124 N THR A 44 8.580 0.237 10.011 1.00 0.00 N ATOM 125 CA THR A 44 7.337 -0.545 9.810 1.00 0.00 C ATOM 126 C THR A 44 6.260 0.142 8.959 1.00 0.00 C ATOM 127 O THR A 44 5.938 1.302 9.180 1.00 0.00 O ATOM 128 CB THR A 44 6.726 -1.066 11.123 1.00 0.00 C ATOM 129 OG1 THR A 44 5.550 -1.831 10.830 1.00 0.00 O ATOM 130 CG2 THR A 44 6.395 0.029 12.147 1.00 0.00 C ATOM 0 H THR A 44 8.451 1.232 10.195 1.00 0.00 H new ATOM 0 HA THR A 44 7.685 -1.398 9.228 1.00 0.00 H new ATOM 0 HB THR A 44 7.491 -1.686 11.590 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.796 -1.485 11.352 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.969 -0.426 13.041 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.305 0.567 12.412 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.675 0.725 11.716 1.00 0.00 H new ATOM 131 N VAL A 45 5.665 -0.635 8.052 1.00 0.00 N ATOM 132 CA VAL A 45 4.528 -0.170 7.254 1.00 0.00 C ATOM 133 C VAL A 45 3.202 -0.491 7.952 1.00 0.00 C ATOM 134 O VAL A 45 2.665 -1.601 7.954 1.00 0.00 O ATOM 135 CB VAL A 45 4.641 -0.593 5.787 1.00 0.00 C ATOM 136 CG1 VAL A 45 3.390 -0.312 4.954 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.782 0.203 5.182 1.00 0.00 C ATOM 0 H VAL A 45 5.953 -1.593 7.851 1.00 0.00 H new ATOM 0 HA VAL A 45 4.549 0.918 7.197 1.00 0.00 H new ATOM 0 HB VAL A 45 4.794 -1.672 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.554 -0.642 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.542 -0.851 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.180 0.758 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.898 -0.068 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.564 1.268 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.705 -0.018 5.718 1.00 0.00 H new ATOM 138 N ASP A 46 2.775 0.559 8.635 1.00 0.00 N ATOM 139 CA ASP A 46 1.565 0.579 9.451 1.00 0.00 C ATOM 140 C ASP A 46 0.652 1.761 9.123 1.00 0.00 C ATOM 141 O ASP A 46 1.043 2.684 8.406 1.00 0.00 O ATOM 142 CB ASP A 46 1.905 0.573 10.945 1.00 0.00 C ATOM 143 CG ASP A 46 2.266 -0.843 11.427 1.00 0.00 C ATOM 144 OD1 ASP A 46 1.574 -1.791 10.982 1.00 0.00 O ATOM 145 OD2 ASP A 46 3.226 -0.952 12.215 1.00 0.00 O ATOM 0 H ASP A 46 3.274 1.449 8.639 1.00 0.00 H new ATOM 0 HA ASP A 46 1.018 -0.332 9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.740 1.248 11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.056 0.949 11.516 1.00 0.00 H new ATOM 146 N GLY A 47 -0.630 1.527 9.388 1.00 0.00 N ATOM 147 CA GLY A 47 -1.689 2.534 9.255 1.00 0.00 C ATOM 148 C GLY A 47 -1.819 3.368 10.525 1.00 0.00 C ATOM 149 O GLY A 47 -1.119 3.166 11.522 1.00 0.00 O ATOM 0 H GLY A 47 -0.972 0.620 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.470 3.186 8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.638 2.042 9.041 1.00 0.00 H new ATOM 150 N THR A 48 -2.798 4.254 10.488 1.00 0.00 N ATOM 151 CA THR A 48 -2.703 5.433 11.348 1.00 0.00 C ATOM 152 C THR A 48 -3.990 5.998 11.967 1.00 0.00 C ATOM 153 O THR A 48 -4.686 6.834 11.402 1.00 0.00 O ATOM 154 CB THR A 48 -1.836 6.420 10.548 1.00 0.00 C ATOM 155 OG1 THR A 48 -1.104 7.224 11.450 1.00 0.00 O ATOM 156 CG2 THR A 48 -2.565 7.190 9.442 1.00 0.00 C ATOM 0 H THR A 48 -3.632 4.193 9.904 1.00 0.00 H new ATOM 0 HA THR A 48 -2.246 5.159 12.299 1.00 0.00 H new ATOM 0 HB THR A 48 -1.130 5.838 9.956 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.467 7.115 12.354 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.864 7.857 8.941 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.976 6.486 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.374 7.775 9.879 1.00 0.00 H new ATOM 157 N ARG A 49 -4.325 5.433 13.116 1.00 0.00 N ATOM 158 CA ARG A 49 -5.355 6.006 14.011 1.00 0.00 C ATOM 159 C ARG A 49 -4.907 7.391 14.526 1.00 0.00 C ATOM 160 O ARG A 49 -5.680 8.331 14.647 1.00 0.00 O ATOM 161 CB ARG A 49 -5.530 5.005 15.172 1.00 0.00 C ATOM 162 CG ARG A 49 -6.670 5.389 16.114 1.00 0.00 C ATOM 163 CD ARG A 49 -6.714 4.440 17.309 1.00 0.00 C ATOM 164 NE ARG A 49 -7.794 4.896 18.205 1.00 0.00 N ATOM 165 CZ ARG A 49 -7.849 4.782 19.536 1.00 0.00 C ATOM 166 NH1 ARG A 49 -6.839 4.322 20.252 1.00 0.00 N ATOM 167 NH2 ARG A 49 -8.904 5.269 20.173 1.00 0.00 N ATOM 0 H ARG A 49 -3.904 4.572 13.465 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.300 6.157 13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.719 4.012 14.765 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.601 4.945 15.738 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.535 6.414 16.460 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.619 5.355 15.579 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.897 3.418 16.979 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.758 4.439 17.832 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.590 5.350 17.758 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.975 4.037 19.791 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.923 4.251 21.266 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.653 5.720 19.648 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.967 5.193 21.188 1.00 0.00 H new ATOM 168 N ASP A 50 -3.596 7.495 14.745 1.00 0.00 N ATOM 169 CA ASP A 50 -2.917 8.715 15.176 1.00 0.00 C ATOM 170 C ASP A 50 -1.833 9.094 14.157 1.00 0.00 C ATOM 171 O ASP A 50 -0.684 8.659 14.236 1.00 0.00 O ATOM 172 CB ASP A 50 -2.367 8.515 16.602 1.00 0.00 C ATOM 173 CG ASP A 50 -1.372 7.366 16.787 1.00 0.00 C ATOM 174 OD1 ASP A 50 -1.783 6.199 16.565 1.00 0.00 O ATOM 175 OD2 ASP A 50 -0.230 7.668 17.193 1.00 0.00 O ATOM 0 H ASP A 50 -2.959 6.708 14.623 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.614 9.552 15.215 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.884 9.440 16.916 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.209 8.351 17.274 1.00 0.00 H new ATOM 176 N ARG A 51 -2.335 9.728 13.094 1.00 0.00 N ATOM 177 CA ARG A 51 -1.532 10.213 11.954 1.00 0.00 C ATOM 178 C ARG A 51 -0.385 11.121 12.395 1.00 0.00 C ATOM 179 O ARG A 51 -0.548 12.278 12.769 1.00 0.00 O ATOM 180 CB ARG A 51 -2.496 10.882 10.980 1.00 0.00 C ATOM 181 CG ARG A 51 -1.956 10.918 9.553 1.00 0.00 C ATOM 182 CD ARG A 51 -2.566 12.151 8.874 1.00 0.00 C ATOM 183 NE ARG A 51 -1.982 12.360 7.538 1.00 0.00 N ATOM 184 CZ ARG A 51 -1.342 13.454 7.131 1.00 0.00 C ATOM 185 NH1 ARG A 51 -1.256 14.554 7.862 1.00 0.00 N ATOM 186 NH2 ARG A 51 -0.865 13.560 5.911 1.00 0.00 N ATOM 0 H ARG A 51 -3.331 9.926 12.994 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.031 9.383 11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.447 10.349 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.697 11.900 11.315 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.868 10.977 9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.225 10.009 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.645 12.027 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.395 13.033 9.492 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.076 11.599 6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.692 14.589 8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.754 15.366 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.981 12.792 5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.379 14.410 5.626 1.00 0.00 H new ATOM 187 N SER A 52 0.770 10.470 12.412 1.00 0.00 N ATOM 188 CA SER A 52 2.093 11.053 12.728 1.00 0.00 C ATOM 189 C SER A 52 2.545 12.198 11.815 1.00 0.00 C ATOM 190 O SER A 52 3.678 12.661 11.910 1.00 0.00 O ATOM 191 CB SER A 52 3.121 9.925 12.681 1.00 0.00 C ATOM 192 OG SER A 52 2.767 8.925 13.636 1.00 0.00 O ATOM 0 H SER A 52 0.827 9.474 12.198 1.00 0.00 H new ATOM 0 HA SER A 52 2.006 11.506 13.715 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.158 9.493 11.681 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.116 10.315 12.897 1.00 0.00 H new ATOM 0 HG SER A 52 3.424 8.198 13.607 1.00 0.00 H new ATOM 193 N ASP A 53 1.706 12.513 10.818 1.00 0.00 N ATOM 194 CA ASP A 53 1.797 13.647 9.870 1.00 0.00 C ATOM 195 C ASP A 53 2.916 13.650 8.830 1.00 0.00 C ATOM 196 O ASP A 53 2.759 14.233 7.759 1.00 0.00 O ATOM 197 CB ASP A 53 1.770 14.988 10.609 1.00 0.00 C ATOM 198 CG ASP A 53 0.484 15.215 11.422 1.00 0.00 C ATOM 199 OD1 ASP A 53 -0.605 14.880 10.900 1.00 0.00 O ATOM 200 OD2 ASP A 53 0.629 15.733 12.545 1.00 0.00 O ATOM 0 H ASP A 53 0.881 11.942 10.634 1.00 0.00 H new ATOM 0 HA ASP A 53 0.903 13.494 9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.628 15.042 11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.880 15.795 9.885 1.00 0.00 H new ATOM 201 N GLN A 54 4.017 12.983 9.146 1.00 0.00 N ATOM 202 CA GLN A 54 5.209 12.982 8.275 1.00 0.00 C ATOM 203 C GLN A 54 5.476 11.634 7.593 1.00 0.00 C ATOM 204 O GLN A 54 5.437 11.542 6.363 1.00 0.00 O ATOM 205 CB GLN A 54 6.408 13.430 9.114 1.00 0.00 C ATOM 206 CG GLN A 54 7.645 13.737 8.253 1.00 0.00 C ATOM 207 CD GLN A 54 8.927 13.263 8.955 1.00 0.00 C ATOM 208 OE1 GLN A 54 9.147 13.437 10.140 1.00 0.00 O ATOM 209 NE2 GLN A 54 9.787 12.614 8.199 1.00 0.00 N ATOM 0 H GLN A 54 4.121 12.432 9.998 1.00 0.00 H new ATOM 0 HA GLN A 54 5.031 13.676 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.137 14.318 9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.655 12.651 9.835 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.551 13.245 7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.704 14.808 8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.591 12.475 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.649 12.250 8.604 1.00 0.00 H new ATOM 210 N HIS A 55 5.641 10.588 8.386 1.00 0.00 N ATOM 211 CA HIS A 55 6.077 9.250 7.906 1.00 0.00 C ATOM 212 C HIS A 55 5.079 8.478 7.008 1.00 0.00 C ATOM 213 O HIS A 55 5.433 7.461 6.409 1.00 0.00 O ATOM 214 CB HIS A 55 6.523 8.410 9.109 1.00 0.00 C ATOM 215 CG HIS A 55 7.217 9.250 10.188 1.00 0.00 C ATOM 216 ND1 HIS A 55 6.598 9.662 11.296 1.00 0.00 N ATOM 217 CD2 HIS A 55 8.307 10.001 10.032 1.00 0.00 C ATOM 218 CE1 HIS A 55 7.271 10.694 11.789 1.00 0.00 C ATOM 219 NE2 HIS A 55 8.314 10.913 11.002 1.00 0.00 N ATOM 0 H HIS A 55 5.479 10.625 9.392 1.00 0.00 H new ATOM 0 HA HIS A 55 6.909 9.438 7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.655 7.913 9.543 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.202 7.628 8.770 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.051 9.890 9.257 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.014 11.256 12.675 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.005 11.654 11.119 1.00 0.00 H new ATOM 220 N ILE A 56 3.952 9.142 6.770 1.00 0.00 N ATOM 221 CA ILE A 56 2.778 8.715 5.974 1.00 0.00 C ATOM 222 C ILE A 56 3.004 8.460 4.475 1.00 0.00 C ATOM 223 O ILE A 56 2.539 9.172 3.577 1.00 0.00 O ATOM 224 CB ILE A 56 1.549 9.587 6.298 1.00 0.00 C ATOM 225 CG1 ILE A 56 1.817 11.108 6.368 1.00 0.00 C ATOM 226 CG2 ILE A 56 0.893 9.120 7.595 1.00 0.00 C ATOM 227 CD1 ILE A 56 1.871 11.794 5.007 1.00 0.00 C ATOM 0 H ILE A 56 3.812 10.075 7.157 1.00 0.00 H new ATOM 0 HA ILE A 56 2.568 7.699 6.310 1.00 0.00 H new ATOM 0 HB ILE A 56 0.879 9.448 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.037 11.576 6.968 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.761 11.276 6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.027 9.746 7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.574 8.083 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.609 9.198 8.413 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.063 12.858 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.670 11.355 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.919 11.660 4.494 1.00 0.00 H new ATOM 228 N GLN A 57 3.685 7.350 4.251 1.00 0.00 N ATOM 229 CA GLN A 57 3.960 6.753 2.936 1.00 0.00 C ATOM 230 C GLN A 57 2.685 6.378 2.197 1.00 0.00 C ATOM 231 O GLN A 57 1.882 5.608 2.725 1.00 0.00 O ATOM 232 CB GLN A 57 4.827 5.517 3.169 1.00 0.00 C ATOM 233 CG GLN A 57 5.255 4.759 1.910 1.00 0.00 C ATOM 234 CD GLN A 57 6.004 3.484 2.293 1.00 0.00 C ATOM 235 OE1 GLN A 57 7.198 3.318 2.097 1.00 0.00 O ATOM 236 NE2 GLN A 57 5.331 2.583 2.974 1.00 0.00 N ATOM 0 H GLN A 57 4.086 6.805 5.014 1.00 0.00 H new ATOM 0 HA GLN A 57 4.473 7.481 2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.723 5.821 3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.282 4.830 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.379 4.509 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.892 5.393 1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.333 2.712 3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.806 1.755 3.333 1.00 0.00 H new ATOM 237 N LEU A 58 2.396 7.231 1.223 1.00 0.00 N ATOM 238 CA LEU A 58 1.323 7.062 0.223 1.00 0.00 C ATOM 239 C LEU A 58 1.246 8.228 -0.764 1.00 0.00 C ATOM 240 O LEU A 58 0.720 9.309 -0.475 1.00 0.00 O ATOM 241 CB LEU A 58 -0.045 6.792 0.874 1.00 0.00 C ATOM 242 CG LEU A 58 -1.214 6.553 -0.096 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.867 5.675 -1.314 1.00 0.00 C ATOM 244 CD2 LEU A 58 -2.373 5.974 0.709 1.00 0.00 C ATOM 0 H LEU A 58 2.918 8.098 1.094 1.00 0.00 H new ATOM 0 HA LEU A 58 1.592 6.176 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.048 5.921 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.295 7.639 1.513 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.486 7.511 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.750 5.560 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.071 6.149 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.534 4.695 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.220 5.793 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.064 5.035 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.664 6.680 1.487 1.00 0.00 H new ATOM 245 N GLN A 59 2.007 8.008 -1.825 1.00 0.00 N ATOM 246 CA GLN A 59 2.005 8.841 -3.029 1.00 0.00 C ATOM 247 C GLN A 59 2.654 8.129 -4.211 1.00 0.00 C ATOM 248 O GLN A 59 3.861 7.913 -4.251 1.00 0.00 O ATOM 249 CB GLN A 59 2.803 10.110 -2.747 1.00 0.00 C ATOM 250 CG GLN A 59 1.923 11.346 -2.976 1.00 0.00 C ATOM 251 CD GLN A 59 2.206 12.374 -1.877 1.00 0.00 C ATOM 252 OE1 GLN A 59 3.090 13.208 -1.963 1.00 0.00 O ATOM 253 NE2 GLN A 59 1.601 12.154 -0.727 1.00 0.00 N ATOM 0 H GLN A 59 2.661 7.227 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 59 0.968 9.063 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.168 10.099 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.678 10.151 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.128 11.777 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.870 11.065 -2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.862 11.454 -0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.872 12.684 0.101 1.00 0.00 H new ATOM 254 N LEU A 60 1.837 7.859 -5.200 1.00 0.00 N ATOM 255 CA LEU A 60 2.306 7.019 -6.298 1.00 0.00 C ATOM 256 C LEU A 60 2.831 7.722 -7.550 1.00 0.00 C ATOM 257 O LEU A 60 2.185 8.579 -8.171 1.00 0.00 O ATOM 258 CB LEU A 60 1.440 5.808 -6.685 1.00 0.00 C ATOM 259 CG LEU A 60 -0.088 5.942 -6.654 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.540 5.880 -5.205 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.657 7.134 -7.421 1.00 0.00 C ATOM 0 H LEU A 60 0.875 8.190 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 60 3.180 6.618 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.723 5.511 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.711 4.985 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.507 5.103 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.625 5.973 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.239 4.927 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.081 6.695 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.744 7.136 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.258 8.059 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.376 7.059 -8.471 1.00 0.00 H new ATOM 262 N SER A 61 4.009 7.245 -7.886 1.00 0.00 N ATOM 263 CA SER A 61 4.703 7.572 -9.139 1.00 0.00 C ATOM 264 C SER A 61 4.733 6.414 -10.120 1.00 0.00 C ATOM 265 O SER A 61 5.313 5.343 -9.917 1.00 0.00 O ATOM 266 CB SER A 61 6.125 8.094 -8.992 1.00 0.00 C ATOM 267 OG SER A 61 6.875 7.341 -8.044 1.00 0.00 O ATOM 0 H SER A 61 4.533 6.604 -7.291 1.00 0.00 H new ATOM 0 HA SER A 61 4.091 8.388 -9.524 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.626 8.060 -9.960 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.097 9.139 -8.684 1.00 0.00 H new ATOM 0 HG SER A 61 7.782 7.706 -7.980 1.00 0.00 H new ATOM 268 N ALA A 62 3.732 6.533 -10.961 1.00 0.00 N ATOM 269 CA ALA A 62 3.644 5.702 -12.167 1.00 0.00 C ATOM 270 C ALA A 62 4.837 5.724 -13.129 1.00 0.00 C ATOM 271 O ALA A 62 5.312 6.780 -13.565 1.00 0.00 O ATOM 272 CB ALA A 62 2.349 5.991 -12.932 1.00 0.00 C ATOM 0 H ALA A 62 2.962 7.192 -10.844 1.00 0.00 H new ATOM 0 HA ALA A 62 3.653 4.689 -11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.305 5.364 -13.822 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.493 5.775 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.326 7.040 -13.226 1.00 0.00 H new ATOM 273 N GLU A 63 5.433 4.549 -13.229 1.00 0.00 N ATOM 274 CA GLU A 63 6.535 4.248 -14.176 1.00 0.00 C ATOM 275 C GLU A 63 5.970 4.127 -15.608 1.00 0.00 C ATOM 276 O GLU A 63 6.534 4.656 -16.566 1.00 0.00 O ATOM 277 CB GLU A 63 7.225 2.951 -13.742 1.00 0.00 C ATOM 278 CG GLU A 63 8.378 2.508 -14.649 1.00 0.00 C ATOM 279 CD GLU A 63 8.935 1.138 -14.269 1.00 0.00 C ATOM 280 OE1 GLU A 63 9.817 1.094 -13.381 1.00 0.00 O ATOM 281 OE2 GLU A 63 8.475 0.150 -14.877 1.00 0.00 O ATOM 0 H GLU A 63 5.172 3.750 -12.651 1.00 0.00 H new ATOM 0 HA GLU A 63 7.269 5.054 -14.169 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.606 3.079 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.482 2.154 -13.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.032 2.481 -15.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.178 3.247 -14.600 1.00 0.00 H new ATOM 282 N SER A 64 4.820 3.465 -15.689 1.00 0.00 N ATOM 283 CA SER A 64 4.174 3.101 -16.954 1.00 0.00 C ATOM 284 C SER A 64 2.706 2.690 -16.713 1.00 0.00 C ATOM 285 O SER A 64 2.274 2.555 -15.569 1.00 0.00 O ATOM 286 CB SER A 64 5.017 1.979 -17.588 1.00 0.00 C ATOM 287 OG SER A 64 4.533 1.628 -18.890 1.00 0.00 O ATOM 0 H SER A 64 4.299 3.160 -14.867 1.00 0.00 H new ATOM 0 HA SER A 64 4.132 3.946 -17.641 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.056 2.300 -17.660 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.999 1.100 -16.943 1.00 0.00 H new ATOM 0 HG SER A 64 5.091 0.915 -19.265 1.00 0.00 H new ATOM 288 N VAL A 65 2.065 2.356 -17.823 1.00 0.00 N ATOM 289 CA VAL A 65 0.637 2.032 -18.029 1.00 0.00 C ATOM 290 C VAL A 65 -0.257 1.975 -16.767 1.00 0.00 C ATOM 291 O VAL A 65 -0.803 2.997 -16.347 1.00 0.00 O ATOM 292 CB VAL A 65 0.613 0.812 -18.972 1.00 0.00 C ATOM 293 CG1 VAL A 65 1.228 -0.490 -18.406 1.00 0.00 C ATOM 294 CG2 VAL A 65 -0.786 0.580 -19.552 1.00 0.00 C ATOM 0 H VAL A 65 2.576 2.295 -18.704 1.00 0.00 H new ATOM 0 HA VAL A 65 0.124 2.870 -18.501 1.00 0.00 H new ATOM 0 HB VAL A 65 1.289 1.085 -19.782 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.157 -1.281 -19.153 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.275 -0.319 -18.157 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.686 -0.789 -17.509 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.767 -0.287 -20.212 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.492 0.403 -18.740 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.096 1.459 -20.117 1.00 0.00 H new ATOM 295 N GLY A 66 -0.195 0.851 -16.069 1.00 0.00 N ATOM 296 CA GLY A 66 -0.927 0.547 -14.826 1.00 0.00 C ATOM 297 C GLY A 66 0.077 0.061 -13.776 1.00 0.00 C ATOM 298 O GLY A 66 -0.031 -1.064 -13.303 1.00 0.00 O ATOM 0 H GLY A 66 0.399 0.075 -16.363 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.450 1.434 -14.468 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.683 -0.217 -15.009 1.00 0.00 H new ATOM 299 N GLU A 67 1.144 0.837 -13.602 1.00 0.00 N ATOM 300 CA GLU A 67 2.267 0.468 -12.742 1.00 0.00 C ATOM 301 C GLU A 67 2.703 1.639 -11.854 1.00 0.00 C ATOM 302 O GLU A 67 3.387 2.567 -12.277 1.00 0.00 O ATOM 303 CB GLU A 67 3.464 0.095 -13.592 1.00 0.00 C ATOM 304 CG GLU A 67 3.213 -0.974 -14.671 1.00 0.00 C ATOM 305 CD GLU A 67 4.354 -1.230 -15.649 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.542 -1.074 -15.261 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.015 -1.543 -16.808 1.00 0.00 O ATOM 0 H GLU A 67 1.255 1.744 -14.055 1.00 0.00 H new ATOM 0 HA GLU A 67 1.935 -0.366 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.834 0.997 -14.080 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.257 -0.260 -12.934 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.973 -1.913 -14.172 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.332 -0.682 -15.243 1.00 0.00 H new ATOM 308 N VAL A 68 2.417 1.450 -10.579 1.00 0.00 N ATOM 309 CA VAL A 68 2.581 2.512 -9.574 1.00 0.00 C ATOM 310 C VAL A 68 3.476 2.239 -8.343 1.00 0.00 C ATOM 311 O VAL A 68 3.285 1.292 -7.585 1.00 0.00 O ATOM 312 CB VAL A 68 1.147 2.891 -9.225 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.441 2.322 -7.996 1.00 0.00 C ATOM 314 CG2 VAL A 68 0.398 3.850 -10.107 1.00 0.00 C ATOM 0 H VAL A 68 2.067 0.569 -10.202 1.00 0.00 H new ATOM 0 HA VAL A 68 3.172 3.322 -10.001 1.00 0.00 H new ATOM 0 HB VAL A 68 1.904 2.239 -8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.570 2.724 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.396 1.236 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.993 2.599 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.605 4.004 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.926 4.803 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.328 3.439 -11.114 1.00 0.00 H new ATOM 315 N TYR A 69 4.545 3.013 -8.335 1.00 0.00 N ATOM 316 CA TYR A 69 5.553 3.082 -7.255 1.00 0.00 C ATOM 317 C TYR A 69 5.052 3.969 -6.111 1.00 0.00 C ATOM 318 O TYR A 69 4.944 5.185 -6.262 1.00 0.00 O ATOM 319 CB TYR A 69 6.869 3.710 -7.736 1.00 0.00 C ATOM 320 CG TYR A 69 7.795 2.800 -8.544 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.135 1.540 -8.023 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.343 3.293 -9.751 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.026 0.729 -8.747 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.252 2.482 -10.466 1.00 0.00 C ATOM 325 CZ TYR A 69 9.572 1.202 -9.952 1.00 0.00 C ATOM 326 OH TYR A 69 10.450 0.377 -10.603 1.00 0.00 O ATOM 0 H TYR A 69 4.758 3.644 -9.107 1.00 0.00 H new ATOM 0 HA TYR A 69 5.718 2.054 -6.931 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.630 4.583 -8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.416 4.069 -6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.720 1.202 -7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.072 4.271 -10.119 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.289 -0.252 -8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.694 2.832 -11.387 1.00 0.00 H new ATOM 0 HH TYR A 69 10.362 0.504 -11.571 1.00 0.00 H new ATOM 327 N ILE A 70 4.835 3.353 -4.957 1.00 0.00 N ATOM 328 CA ILE A 70 4.214 4.107 -3.855 1.00 0.00 C ATOM 329 C ILE A 70 5.243 4.748 -2.917 1.00 0.00 C ATOM 330 O ILE A 70 5.560 4.304 -1.819 1.00 0.00 O ATOM 331 CB ILE A 70 3.116 3.306 -3.130 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.181 2.680 -4.169 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.321 4.262 -2.221 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.237 1.614 -3.586 1.00 0.00 C ATOM 0 H ILE A 70 5.064 2.380 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 70 3.693 4.948 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 70 3.563 2.516 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.585 3.468 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.780 2.229 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.540 3.706 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.993 4.712 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.866 5.046 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.605 1.215 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.825 0.807 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.611 2.064 -2.815 1.00 0.00 H new ATOM 335 N LYS A 71 5.580 5.934 -3.377 1.00 0.00 N ATOM 336 CA LYS A 71 6.537 6.852 -2.748 1.00 0.00 C ATOM 337 C LYS A 71 5.903 7.583 -1.550 1.00 0.00 C ATOM 338 O LYS A 71 4.698 7.562 -1.306 1.00 0.00 O ATOM 339 CB LYS A 71 7.044 7.788 -3.845 1.00 0.00 C ATOM 340 CG LYS A 71 8.159 8.748 -3.425 1.00 0.00 C ATOM 341 CD LYS A 71 8.614 9.571 -4.634 1.00 0.00 C ATOM 342 CE LYS A 71 9.411 10.818 -4.239 1.00 0.00 C ATOM 343 NZ LYS A 71 10.635 10.441 -3.520 1.00 0.00 N ATOM 0 H LYS A 71 5.183 6.312 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 71 7.385 6.317 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.403 7.183 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.203 8.374 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.804 9.410 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.000 8.188 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.226 8.945 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.740 9.872 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.668 11.390 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.798 11.465 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.220 11.286 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.383 10.020 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.169 9.749 -4.083 1.00 0.00 H new ATOM 344 N SER A 72 6.826 7.897 -0.660 1.00 0.00 N ATOM 345 CA SER A 72 6.608 8.828 0.457 1.00 0.00 C ATOM 346 C SER A 72 7.428 10.072 0.108 1.00 0.00 C ATOM 347 O SER A 72 8.501 9.980 -0.476 1.00 0.00 O ATOM 348 CB SER A 72 7.130 8.178 1.731 1.00 0.00 C ATOM 349 OG SER A 72 7.170 9.152 2.776 1.00 0.00 O ATOM 0 H SER A 72 7.770 7.510 -0.684 1.00 0.00 H new ATOM 0 HA SER A 72 5.559 9.080 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.487 7.346 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.126 7.768 1.562 1.00 0.00 H new ATOM 0 HG SER A 72 7.154 8.700 3.645 1.00 0.00 H new ATOM 350 N THR A 73 6.746 11.200 0.151 1.00 0.00 N ATOM 351 CA THR A 73 7.386 12.508 -0.069 1.00 0.00 C ATOM 352 C THR A 73 7.979 13.149 1.197 1.00 0.00 C ATOM 353 O THR A 73 8.702 14.137 1.118 1.00 0.00 O ATOM 354 CB THR A 73 6.376 13.422 -0.757 1.00 0.00 C ATOM 355 OG1 THR A 73 5.097 13.254 -0.120 1.00 0.00 O ATOM 356 CG2 THR A 73 6.285 13.095 -2.253 1.00 0.00 C ATOM 0 H THR A 73 5.744 11.250 0.336 1.00 0.00 H new ATOM 0 HA THR A 73 8.256 12.352 -0.707 1.00 0.00 H new ATOM 0 HB THR A 73 6.696 14.460 -0.666 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.385 13.338 -0.788 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.560 13.757 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.262 13.236 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.969 12.060 -2.381 1.00 0.00 H new ATOM 357 N GLU A 74 7.679 12.561 2.364 1.00 0.00 N ATOM 358 CA GLU A 74 8.232 13.036 3.651 1.00 0.00 C ATOM 359 C GLU A 74 9.236 12.102 4.350 1.00 0.00 C ATOM 360 O GLU A 74 10.063 12.579 5.132 1.00 0.00 O ATOM 361 CB GLU A 74 7.077 13.400 4.577 1.00 0.00 C ATOM 362 CG GLU A 74 6.387 14.697 4.142 1.00 0.00 C ATOM 363 CD GLU A 74 5.167 14.943 5.028 1.00 0.00 C ATOM 364 OE1 GLU A 74 4.119 14.317 4.713 1.00 0.00 O ATOM 365 OE2 GLU A 74 5.317 15.702 6.005 1.00 0.00 O ATOM 0 H GLU A 74 7.058 11.756 2.448 1.00 0.00 H new ATOM 0 HA GLU A 74 8.839 13.909 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.350 12.588 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.448 13.510 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.081 15.534 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.084 14.628 3.097 1.00 0.00 H new ATOM 366 N THR A 75 8.992 10.802 4.299 1.00 0.00 N ATOM 367 CA THR A 75 9.971 9.747 4.666 1.00 0.00 C ATOM 368 C THR A 75 10.774 9.213 3.460 1.00 0.00 C ATOM 369 O THR A 75 11.672 8.394 3.651 1.00 0.00 O ATOM 370 CB THR A 75 9.320 8.533 5.359 1.00 0.00 C ATOM 371 OG1 THR A 75 7.890 8.529 5.263 1.00 0.00 O ATOM 372 CG2 THR A 75 9.835 8.388 6.796 1.00 0.00 C ATOM 0 H THR A 75 8.094 10.425 3.997 1.00 0.00 H new ATOM 0 HA THR A 75 10.643 10.253 5.359 1.00 0.00 H new ATOM 0 HB THR A 75 9.630 7.641 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.522 7.873 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.363 7.526 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.916 8.248 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.593 9.288 7.362 1.00 0.00 H new ATOM 373 N GLY A 76 10.299 9.512 2.258 1.00 0.00 N ATOM 374 CA GLY A 76 10.930 9.127 0.964 1.00 0.00 C ATOM 375 C GLY A 76 10.592 7.705 0.494 1.00 0.00 C ATOM 376 O GLY A 76 10.233 7.474 -0.661 1.00 0.00 O ATOM 0 H GLY A 76 9.438 10.045 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.617 9.835 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.012 9.218 1.060 1.00 0.00 H new ATOM 377 N GLN A 77 10.776 6.789 1.448 1.00 0.00 N ATOM 378 CA GLN A 77 10.602 5.335 1.304 1.00 0.00 C ATOM 379 C GLN A 77 9.382 4.890 0.488 1.00 0.00 C ATOM 380 O GLN A 77 8.307 5.495 0.481 1.00 0.00 O ATOM 381 CB GLN A 77 10.574 4.689 2.684 1.00 0.00 C ATOM 382 CG GLN A 77 11.938 4.750 3.366 1.00 0.00 C ATOM 383 CD GLN A 77 11.822 4.461 4.854 1.00 0.00 C ATOM 384 OE1 GLN A 77 11.405 5.287 5.655 1.00 0.00 O ATOM 385 NE2 GLN A 77 12.099 3.237 5.253 1.00 0.00 N ATOM 0 H GLN A 77 11.065 7.051 2.391 1.00 0.00 H new ATOM 0 HA GLN A 77 11.460 4.997 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.834 5.192 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.260 3.649 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.611 4.028 2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.378 5.736 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.446 2.549 4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.966 2.977 6.230 1.00 0.00 H new ATOM 386 N TYR A 78 9.642 3.785 -0.179 1.00 0.00 N ATOM 387 CA TYR A 78 8.752 3.198 -1.191 1.00 0.00 C ATOM 388 C TYR A 78 8.027 1.972 -0.620 1.00 0.00 C ATOM 389 O TYR A 78 8.656 1.012 -0.185 1.00 0.00 O ATOM 390 CB TYR A 78 9.610 2.770 -2.383 1.00 0.00 C ATOM 391 CG TYR A 78 10.227 3.931 -3.153 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.414 4.517 -2.668 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.531 4.458 -4.261 1.00 0.00 C ATOM 394 CE1 TYR A 78 11.913 5.679 -3.283 1.00 0.00 C ATOM 395 CE2 TYR A 78 10.022 5.630 -4.881 1.00 0.00 C ATOM 396 CZ TYR A 78 11.200 6.218 -4.378 1.00 0.00 C ATOM 397 OH TYR A 78 11.663 7.366 -4.942 1.00 0.00 O ATOM 0 H TYR A 78 10.497 3.247 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 78 8.004 3.930 -1.494 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.408 2.119 -2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.997 2.180 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.936 4.077 -1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.638 3.975 -4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.819 6.148 -2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.505 6.066 -5.723 1.00 0.00 H new ATOM 0 HH TYR A 78 11.079 7.624 -5.685 1.00 0.00 H new ATOM 398 N LEU A 79 6.704 2.061 -0.676 1.00 0.00 N ATOM 399 CA LEU A 79 5.824 0.945 -0.303 1.00 0.00 C ATOM 400 C LEU A 79 6.099 -0.249 -1.220 1.00 0.00 C ATOM 401 O LEU A 79 5.864 -0.231 -2.421 1.00 0.00 O ATOM 402 CB LEU A 79 4.342 1.311 -0.343 1.00 0.00 C ATOM 403 CG LEU A 79 3.476 0.178 0.229 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.685 0.103 1.736 1.00 0.00 C ATOM 405 CD2 LEU A 79 2.019 0.462 -0.079 1.00 0.00 C ATOM 0 H LEU A 79 6.207 2.899 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 79 6.050 0.687 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.174 2.224 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.043 1.518 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 79 3.759 -0.774 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.073 -0.699 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.735 -0.096 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.396 1.050 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.399 -0.339 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.729 1.409 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.880 0.520 -1.159 1.00 0.00 H new ATOM 406 N ALA A 80 6.723 -1.202 -0.565 1.00 0.00 N ATOM 407 CA ALA A 80 7.238 -2.444 -1.152 1.00 0.00 C ATOM 408 C ALA A 80 6.567 -3.638 -0.482 1.00 0.00 C ATOM 409 O ALA A 80 5.954 -3.512 0.582 1.00 0.00 O ATOM 410 CB ALA A 80 8.747 -2.486 -0.902 1.00 0.00 C ATOM 0 H ALA A 80 6.899 -1.141 0.438 1.00 0.00 H new ATOM 0 HA ALA A 80 7.030 -2.482 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.161 -3.400 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.218 -1.622 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.939 -2.466 0.171 1.00 0.00 H new ATOM 411 N MET A 81 6.743 -4.792 -1.094 1.00 0.00 N ATOM 412 CA MET A 81 6.176 -6.046 -0.580 1.00 0.00 C ATOM 413 C MET A 81 7.203 -7.185 -0.648 1.00 0.00 C ATOM 414 O MET A 81 8.074 -7.210 -1.523 1.00 0.00 O ATOM 415 CB MET A 81 4.900 -6.422 -1.341 1.00 0.00 C ATOM 416 CG MET A 81 4.157 -7.489 -0.530 1.00 0.00 C ATOM 417 SD MET A 81 2.572 -8.067 -1.248 1.00 0.00 S ATOM 418 CE MET A 81 1.522 -6.642 -1.145 1.00 0.00 C ATOM 0 H MET A 81 7.277 -4.899 -1.956 1.00 0.00 H new ATOM 0 HA MET A 81 5.915 -5.889 0.467 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.269 -5.544 -1.483 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.146 -6.801 -2.333 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.815 -8.349 -0.406 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.961 -7.092 0.466 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.755 -6.699 -1.918 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.047 -6.610 -0.164 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.117 -5.740 -1.290 1.00 0.00 H new ATOM 419 N ASP A 82 7.203 -7.966 0.427 1.00 0.00 N ATOM 420 CA ASP A 82 8.034 -9.167 0.529 1.00 0.00 C ATOM 421 C ASP A 82 7.201 -10.442 0.553 1.00 0.00 C ATOM 422 O ASP A 82 6.110 -10.501 1.112 1.00 0.00 O ATOM 423 CB ASP A 82 8.899 -9.073 1.794 1.00 0.00 C ATOM 424 CG ASP A 82 10.390 -9.154 1.451 1.00 0.00 C ATOM 425 OD1 ASP A 82 10.756 -10.201 0.872 1.00 0.00 O ATOM 426 OD2 ASP A 82 11.116 -8.206 1.801 1.00 0.00 O ATOM 0 H ASP A 82 6.630 -7.788 1.252 1.00 0.00 H new ATOM 0 HA ASP A 82 8.668 -9.218 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.692 -8.136 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.636 -9.879 2.479 1.00 0.00 H new ATOM 427 N THR A 83 7.958 -11.475 0.224 1.00 0.00 N ATOM 428 CA THR A 83 7.523 -12.887 0.074 1.00 0.00 C ATOM 429 C THR A 83 6.921 -13.502 1.336 1.00 0.00 C ATOM 430 O THR A 83 6.209 -14.502 1.276 1.00 0.00 O ATOM 431 CB THR A 83 8.707 -13.743 -0.362 1.00 0.00 C ATOM 432 OG1 THR A 83 9.860 -13.278 0.365 1.00 0.00 O ATOM 433 CG2 THR A 83 8.913 -13.705 -1.880 1.00 0.00 C ATOM 0 H THR A 83 8.955 -11.363 0.040 1.00 0.00 H new ATOM 0 HA THR A 83 6.733 -12.871 -0.676 1.00 0.00 H new ATOM 0 HB THR A 83 8.524 -14.792 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.643 -13.809 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.767 -14.328 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.019 -14.081 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.100 -12.679 -2.196 1.00 0.00 H new ATOM 434 N ASP A 84 7.312 -12.953 2.482 1.00 0.00 N ATOM 435 CA ASP A 84 6.744 -13.296 3.796 1.00 0.00 C ATOM 436 C ASP A 84 5.254 -12.965 3.979 1.00 0.00 C ATOM 437 O ASP A 84 4.596 -13.522 4.852 1.00 0.00 O ATOM 438 CB ASP A 84 7.577 -12.599 4.869 1.00 0.00 C ATOM 439 CG ASP A 84 9.026 -13.084 4.895 1.00 0.00 C ATOM 440 OD1 ASP A 84 9.301 -14.086 5.579 1.00 0.00 O ATOM 441 OD2 ASP A 84 9.827 -12.448 4.170 1.00 0.00 O ATOM 0 H ASP A 84 8.044 -12.245 2.532 1.00 0.00 H new ATOM 0 HA ASP A 84 6.789 -14.382 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.561 -11.523 4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.123 -12.770 5.845 1.00 0.00 H new ATOM 442 N GLY A 85 4.749 -12.086 3.111 1.00 0.00 N ATOM 443 CA GLY A 85 3.349 -11.622 3.143 1.00 0.00 C ATOM 444 C GLY A 85 3.150 -10.424 4.062 1.00 0.00 C ATOM 445 O GLY A 85 2.249 -10.419 4.903 1.00 0.00 O ATOM 0 H GLY A 85 5.298 -11.670 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.035 -11.357 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.707 -12.439 3.473 1.00 0.00 H new ATOM 446 N LEU A 86 3.830 -9.343 3.665 1.00 0.00 N ATOM 447 CA LEU A 86 3.917 -8.090 4.434 1.00 0.00 C ATOM 448 C LEU A 86 4.596 -6.977 3.622 1.00 0.00 C ATOM 449 O LEU A 86 5.471 -7.231 2.785 1.00 0.00 O ATOM 450 CB LEU A 86 4.544 -8.330 5.813 1.00 0.00 C ATOM 451 CG LEU A 86 5.972 -8.872 5.713 1.00 0.00 C ATOM 452 CD1 LEU A 86 6.909 -7.674 5.857 1.00 0.00 C ATOM 453 CD2 LEU A 86 6.225 -9.894 6.812 1.00 0.00 C ATOM 0 H LEU A 86 4.345 -9.310 2.785 1.00 0.00 H new ATOM 0 HA LEU A 86 2.907 -7.729 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.550 -7.396 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.928 -9.034 6.372 1.00 0.00 H new ATOM 0 HG LEU A 86 6.138 -9.376 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.943 -8.011 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.710 -6.958 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.743 -7.196 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.244 -10.272 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.090 -9.422 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.522 -10.721 6.709 1.00 0.00 H new ATOM 454 N LEU A 87 4.090 -5.780 3.862 1.00 0.00 N ATOM 455 CA LEU A 87 4.568 -4.537 3.229 1.00 0.00 C ATOM 456 C LEU A 87 5.742 -3.949 4.019 1.00 0.00 C ATOM 457 O LEU A 87 5.719 -3.842 5.241 1.00 0.00 O ATOM 458 CB LEU A 87 3.456 -3.479 3.188 1.00 0.00 C ATOM 459 CG LEU A 87 2.151 -3.955 2.547 1.00 0.00 C ATOM 460 CD1 LEU A 87 0.998 -3.043 2.947 1.00 0.00 C ATOM 461 CD2 LEU A 87 2.272 -4.070 1.027 1.00 0.00 C ATOM 0 H LEU A 87 3.320 -5.629 4.513 1.00 0.00 H new ATOM 0 HA LEU A 87 4.880 -4.791 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.247 -3.150 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.819 -2.609 2.640 1.00 0.00 H new ATOM 0 HG LEU A 87 1.941 -4.957 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.077 -3.396 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.885 -3.054 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.206 -2.026 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.324 -4.411 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.523 -3.096 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.056 -4.785 0.777 1.00 0.00 H new ATOM 462 N TYR A 88 6.716 -3.441 3.267 1.00 0.00 N ATOM 463 CA TYR A 88 7.860 -2.686 3.813 1.00 0.00 C ATOM 464 C TYR A 88 8.116 -1.393 3.048 1.00 0.00 C ATOM 465 O TYR A 88 7.610 -1.215 1.944 1.00 0.00 O ATOM 466 CB TYR A 88 9.175 -3.484 3.944 1.00 0.00 C ATOM 467 CG TYR A 88 9.745 -4.124 2.683 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.005 -5.105 1.986 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.054 -3.751 2.282 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.572 -5.695 0.851 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.611 -4.350 1.144 1.00 0.00 C ATOM 472 CZ TYR A 88 10.860 -5.301 0.427 1.00 0.00 C ATOM 473 OH TYR A 88 11.238 -5.662 -0.822 1.00 0.00 O ATOM 0 H TYR A 88 6.741 -3.538 2.252 1.00 0.00 H new ATOM 0 HA TYR A 88 7.544 -2.453 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.933 -2.816 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.016 -4.274 4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.020 -5.394 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.612 -3.017 2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.027 -6.448 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.607 -4.085 0.820 1.00 0.00 H new ATOM 0 HH TYR A 88 10.967 -6.589 -0.991 1.00 0.00 H new ATOM 474 N GLY A 89 8.836 -0.475 3.686 1.00 0.00 N ATOM 475 CA GLY A 89 9.233 0.806 3.066 1.00 0.00 C ATOM 476 C GLY A 89 10.685 0.719 2.595 1.00 0.00 C ATOM 477 O GLY A 89 11.603 1.064 3.335 1.00 0.00 O ATOM 0 H GLY A 89 9.165 -0.588 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.580 1.032 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.121 1.619 3.783 1.00 0.00 H new ATOM 478 N SER A 90 10.833 0.074 1.447 1.00 0.00 N ATOM 479 CA SER A 90 12.125 -0.065 0.749 1.00 0.00 C ATOM 480 C SER A 90 12.606 1.250 0.143 1.00 0.00 C ATOM 481 O SER A 90 11.868 1.982 -0.508 1.00 0.00 O ATOM 482 CB SER A 90 11.997 -1.164 -0.313 1.00 0.00 C ATOM 483 OG SER A 90 13.077 -1.110 -1.243 1.00 0.00 O ATOM 0 H SER A 90 10.058 -0.376 0.960 1.00 0.00 H new ATOM 0 HA SER A 90 12.885 -0.348 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.979 -2.141 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.051 -1.053 -0.843 1.00 0.00 H new ATOM 0 HG SER A 90 12.785 -0.650 -2.058 1.00 0.00 H new ATOM 484 N GLN A 91 13.852 1.577 0.451 1.00 0.00 N ATOM 485 CA GLN A 91 14.602 2.758 -0.014 1.00 0.00 C ATOM 486 C GLN A 91 14.754 2.841 -1.530 1.00 0.00 C ATOM 487 O GLN A 91 15.007 3.908 -2.083 1.00 0.00 O ATOM 488 CB GLN A 91 15.999 2.700 0.585 1.00 0.00 C ATOM 489 CG GLN A 91 15.982 3.036 2.074 1.00 0.00 C ATOM 490 CD GLN A 91 15.481 1.894 2.974 1.00 0.00 C ATOM 491 OE1 GLN A 91 15.118 0.783 2.613 1.00 0.00 O ATOM 492 NE2 GLN A 91 15.678 2.105 4.233 1.00 0.00 N ATOM 0 H GLN A 91 14.412 0.993 1.072 1.00 0.00 H new ATOM 0 HA GLN A 91 14.034 3.633 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.417 1.704 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.651 3.399 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 91 16.990 3.312 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 91 15.350 3.910 2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.981 3.024 4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 91 15.531 1.352 4.905 1.00 0.00 H new ATOM 493 N THR A 92 14.833 1.656 -2.129 1.00 0.00 N ATOM 494 CA THR A 92 14.914 1.527 -3.588 1.00 0.00 C ATOM 495 C THR A 92 13.587 0.997 -4.167 1.00 0.00 C ATOM 496 O THR A 92 12.862 0.273 -3.474 1.00 0.00 O ATOM 497 CB THR A 92 16.133 0.651 -3.983 1.00 0.00 C ATOM 498 OG1 THR A 92 16.382 0.856 -5.366 1.00 0.00 O ATOM 499 CG2 THR A 92 15.945 -0.843 -3.708 1.00 0.00 C ATOM 0 H THR A 92 14.843 0.767 -1.629 1.00 0.00 H new ATOM 0 HA THR A 92 15.071 2.513 -4.026 1.00 0.00 H new ATOM 0 HB THR A 92 16.975 0.958 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.150 0.315 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.841 -1.384 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.771 -0.998 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.089 -1.212 -4.273 1.00 0.00 H new ATOM 500 N PRO A 93 13.221 1.418 -5.375 1.00 0.00 N ATOM 501 CA PRO A 93 12.071 0.875 -6.070 1.00 0.00 C ATOM 502 C PRO A 93 12.433 -0.306 -6.980 1.00 0.00 C ATOM 503 O PRO A 93 13.407 -0.310 -7.720 1.00 0.00 O ATOM 504 CB PRO A 93 11.507 2.034 -6.874 1.00 0.00 C ATOM 505 CG PRO A 93 12.752 2.847 -7.254 1.00 0.00 C ATOM 506 CD PRO A 93 13.728 2.592 -6.098 1.00 0.00 C ATOM 0 HA PRO A 93 11.347 0.470 -5.363 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.970 1.686 -7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.805 2.626 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.167 2.519 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.521 3.907 -7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.735 2.411 -6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.784 3.459 -5.439 1.00 0.00 H new ATOM 507 N ASN A 94 11.725 -1.372 -6.686 1.00 0.00 N ATOM 508 CA ASN A 94 11.817 -2.648 -7.414 1.00 0.00 C ATOM 509 C ASN A 94 10.406 -3.033 -7.893 1.00 0.00 C ATOM 510 O ASN A 94 9.429 -2.362 -7.561 1.00 0.00 O ATOM 511 CB ASN A 94 12.408 -3.645 -6.414 1.00 0.00 C ATOM 512 CG ASN A 94 12.853 -4.955 -7.049 1.00 0.00 C ATOM 513 OD1 ASN A 94 12.090 -5.913 -7.159 1.00 0.00 O ATOM 514 ND2 ASN A 94 14.020 -4.946 -7.655 1.00 0.00 N ATOM 0 H ASN A 94 11.051 -1.392 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 94 12.447 -2.611 -8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.261 -3.184 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.666 -3.858 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.304 -5.742 -8.227 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.641 -4.143 -7.553 1.00 0.00 H new ATOM 515 N GLU A 95 10.285 -4.202 -8.511 1.00 0.00 N ATOM 516 CA GLU A 95 8.985 -4.837 -8.832 1.00 0.00 C ATOM 517 C GLU A 95 8.139 -5.009 -7.568 1.00 0.00 C ATOM 518 O GLU A 95 6.909 -4.904 -7.583 1.00 0.00 O ATOM 519 CB GLU A 95 9.247 -6.271 -9.307 1.00 0.00 C ATOM 520 CG GLU A 95 10.174 -6.424 -10.519 1.00 0.00 C ATOM 521 CD GLU A 95 9.514 -5.903 -11.799 1.00 0.00 C ATOM 522 OE1 GLU A 95 8.518 -6.541 -12.222 1.00 0.00 O ATOM 523 OE2 GLU A 95 10.008 -4.874 -12.301 1.00 0.00 O ATOM 0 H GLU A 95 11.089 -4.753 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 95 8.485 -4.212 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.673 -6.835 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.289 -6.733 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.102 -5.881 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 95 10.439 -7.474 -10.646 1.00 0.00 H new ATOM 524 N GLU A 96 8.841 -5.357 -6.499 1.00 0.00 N ATOM 525 CA GLU A 96 8.353 -5.410 -5.112 1.00 0.00 C ATOM 526 C GLU A 96 7.558 -4.157 -4.702 1.00 0.00 C ATOM 527 O GLU A 96 6.582 -4.264 -3.973 1.00 0.00 O ATOM 528 CB GLU A 96 9.573 -5.552 -4.198 1.00 0.00 C ATOM 529 CG GLU A 96 10.181 -6.936 -4.392 1.00 0.00 C ATOM 530 CD GLU A 96 11.257 -7.268 -3.359 1.00 0.00 C ATOM 531 OE1 GLU A 96 12.393 -6.807 -3.573 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.908 -7.965 -2.380 1.00 0.00 O ATOM 0 H GLU A 96 9.822 -5.627 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 96 7.670 -6.255 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.309 -4.782 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.282 -5.411 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.390 -7.684 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.613 -7.000 -5.391 1.00 0.00 H new ATOM 533 N CYS A 97 7.989 -3.012 -5.224 1.00 0.00 N ATOM 534 CA CYS A 97 7.357 -1.713 -4.966 1.00 0.00 C ATOM 535 C CYS A 97 6.425 -1.259 -6.100 1.00 0.00 C ATOM 536 O CYS A 97 5.744 -0.236 -5.978 1.00 0.00 O ATOM 537 CB CYS A 97 8.497 -0.721 -4.781 1.00 0.00 C ATOM 538 SG CYS A 97 7.887 0.958 -4.387 1.00 0.00 S ATOM 0 H CYS A 97 8.796 -2.955 -5.846 1.00 0.00 H new ATOM 0 HA CYS A 97 6.720 -1.782 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.152 -1.066 -3.981 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.097 -0.685 -5.690 1.00 0.00 H new ATOM 0 HG CYS A 97 6.933 0.878 -3.508 1.00 0.00 H new ATOM 539 N LEU A 98 6.399 -2.017 -7.196 1.00 0.00 N ATOM 540 CA LEU A 98 5.636 -1.569 -8.361 1.00 0.00 C ATOM 541 C LEU A 98 4.274 -2.260 -8.395 1.00 0.00 C ATOM 542 O LEU A 98 4.156 -3.479 -8.283 1.00 0.00 O ATOM 543 CB LEU A 98 6.394 -1.676 -9.680 1.00 0.00 C ATOM 544 CG LEU A 98 5.747 -0.714 -10.681 1.00 0.00 C ATOM 545 CD1 LEU A 98 5.717 0.710 -10.207 1.00 0.00 C ATOM 546 CD2 LEU A 98 6.642 -0.706 -11.926 1.00 0.00 C ATOM 0 H LEU A 98 6.878 -2.911 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 98 5.472 -0.498 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.445 -1.425 -9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.359 -2.698 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 98 4.724 -1.052 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.246 1.336 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.148 0.773 -9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.735 1.057 -10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.221 -0.032 -12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.642 -0.367 -11.653 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.700 -1.713 -12.339 1.00 0.00 H new ATOM 547 N PHE A 99 3.311 -1.374 -8.280 1.00 0.00 N ATOM 548 CA PHE A 99 1.936 -1.794 -8.049 1.00 0.00 C ATOM 549 C PHE A 99 0.933 -1.544 -9.173 1.00 0.00 C ATOM 550 O PHE A 99 0.658 -0.434 -9.613 1.00 0.00 O ATOM 551 CB PHE A 99 1.436 -1.197 -6.728 1.00 0.00 C ATOM 552 CG PHE A 99 2.004 -1.936 -5.513 1.00 0.00 C ATOM 553 CD1 PHE A 99 3.154 -1.436 -4.869 1.00 0.00 C ATOM 554 CD2 PHE A 99 1.214 -2.932 -4.898 1.00 0.00 C ATOM 555 CE1 PHE A 99 3.519 -1.923 -3.598 1.00 0.00 C ATOM 556 CE2 PHE A 99 1.570 -3.428 -3.631 1.00 0.00 C ATOM 557 CZ PHE A 99 2.717 -2.908 -2.980 1.00 0.00 C ATOM 0 H PHE A 99 3.446 -0.365 -8.341 1.00 0.00 H new ATOM 0 HA PHE A 99 1.986 -2.882 -8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.717 -0.145 -6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.347 -1.238 -6.701 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.756 -0.679 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.337 -3.313 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.402 -1.547 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.976 -4.197 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.981 -3.270 -1.997 1.00 0.00 H new ATOM 558 N LEU A 100 0.427 -2.670 -9.632 1.00 0.00 N ATOM 559 CA LEU A 100 -0.497 -2.750 -10.771 1.00 0.00 C ATOM 560 C LEU A 100 -1.867 -2.124 -10.553 1.00 0.00 C ATOM 561 O LEU A 100 -2.669 -2.667 -9.794 1.00 0.00 O ATOM 562 CB LEU A 100 -0.650 -4.222 -11.148 1.00 0.00 C ATOM 563 CG LEU A 100 -0.471 -4.392 -12.656 1.00 0.00 C ATOM 564 CD1 LEU A 100 1.003 -4.253 -13.031 1.00 0.00 C ATOM 565 CD2 LEU A 100 -0.979 -5.774 -13.044 1.00 0.00 C ATOM 0 H LEU A 100 0.644 -3.579 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.055 -2.157 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.088 -4.822 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.633 -4.584 -10.846 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.032 -3.623 -13.187 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.118 -4.376 -14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.361 -3.266 -12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.583 -5.018 -12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.861 -5.917 -14.118 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.408 -6.534 -12.512 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.033 -5.861 -12.780 1.00 0.00 H new ATOM 566 N GLU A 101 -2.203 -1.169 -11.416 1.00 0.00 N ATOM 567 CA GLU A 101 -3.489 -0.447 -11.292 1.00 0.00 C ATOM 568 C GLU A 101 -4.691 -1.262 -11.770 1.00 0.00 C ATOM 569 O GLU A 101 -4.996 -1.389 -12.956 1.00 0.00 O ATOM 570 CB GLU A 101 -3.454 0.913 -11.958 1.00 0.00 C ATOM 571 CG GLU A 101 -2.587 1.898 -11.179 1.00 0.00 C ATOM 572 CD GLU A 101 -2.711 3.284 -11.812 1.00 0.00 C ATOM 573 OE1 GLU A 101 -2.038 3.486 -12.850 1.00 0.00 O ATOM 574 OE2 GLU A 101 -3.456 4.102 -11.231 1.00 0.00 O ATOM 0 H GLU A 101 -1.621 -0.873 -12.200 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.624 -0.290 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.069 0.812 -12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.468 1.305 -12.039 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.901 1.932 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.547 1.572 -11.188 1.00 0.00 H new ATOM 575 N ARG A 102 -5.221 -1.973 -10.786 1.00 0.00 N ATOM 576 CA ARG A 102 -6.387 -2.868 -10.905 1.00 0.00 C ATOM 577 C ARG A 102 -7.719 -2.093 -10.818 1.00 0.00 C ATOM 578 O ARG A 102 -8.730 -2.508 -11.372 1.00 0.00 O ATOM 579 CB ARG A 102 -6.239 -3.868 -9.769 1.00 0.00 C ATOM 580 CG ARG A 102 -5.090 -4.865 -9.962 1.00 0.00 C ATOM 581 CD ARG A 102 -5.171 -5.702 -11.253 1.00 0.00 C ATOM 582 NE ARG A 102 -6.376 -6.545 -11.262 1.00 0.00 N ATOM 583 CZ ARG A 102 -7.415 -6.454 -12.096 1.00 0.00 C ATOM 584 NH1 ARG A 102 -7.479 -5.592 -13.099 1.00 0.00 N ATOM 585 NH2 ARG A 102 -8.420 -7.293 -11.945 1.00 0.00 N ATOM 0 H ARG A 102 -4.843 -1.949 -9.839 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.414 -3.363 -11.875 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.082 -3.324 -8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.172 -4.421 -9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.148 -4.317 -9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.067 -5.542 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.180 -5.040 -12.119 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.284 -6.329 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.423 -7.278 -10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.706 -4.949 -13.269 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.301 -5.571 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.393 -7.993 -11.203 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.225 -7.243 -12.570 1.00 0.00 H new ATOM 586 N LEU A 103 -7.698 -1.099 -9.940 1.00 0.00 N ATOM 587 CA LEU A 103 -8.624 0.062 -9.871 1.00 0.00 C ATOM 588 C LEU A 103 -10.097 -0.125 -9.457 1.00 0.00 C ATOM 589 O LEU A 103 -10.677 0.772 -8.840 1.00 0.00 O ATOM 590 CB LEU A 103 -8.446 0.820 -11.204 1.00 0.00 C ATOM 591 CG LEU A 103 -9.290 2.097 -11.387 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.151 3.052 -10.204 1.00 0.00 C ATOM 593 CD2 LEU A 103 -8.923 2.768 -12.710 1.00 0.00 C ATOM 0 H LEU A 103 -6.994 -1.064 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.325 0.628 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.395 1.088 -11.306 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.681 0.136 -12.019 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.342 1.814 -11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.763 3.937 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.483 2.554 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.108 3.348 -10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.520 3.671 -12.838 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.865 3.031 -12.704 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.121 2.082 -13.533 1.00 0.00 H new ATOM 594 N GLU A 104 -10.738 -1.216 -9.884 1.00 0.00 N ATOM 595 CA GLU A 104 -12.198 -1.455 -9.758 1.00 0.00 C ATOM 596 C GLU A 104 -13.067 -0.492 -10.596 1.00 0.00 C ATOM 597 O GLU A 104 -14.294 -0.523 -10.517 1.00 0.00 O ATOM 598 CB GLU A 104 -12.681 -1.372 -8.295 1.00 0.00 C ATOM 599 CG GLU A 104 -12.051 -2.365 -7.333 1.00 0.00 C ATOM 600 CD GLU A 104 -12.787 -3.711 -7.333 1.00 0.00 C ATOM 601 OE1 GLU A 104 -12.875 -4.351 -8.404 1.00 0.00 O ATOM 602 OE2 GLU A 104 -13.173 -4.134 -6.224 1.00 0.00 O ATOM 0 H GLU A 104 -10.251 -1.986 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.328 -2.466 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.489 -0.365 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.761 -1.516 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.008 -2.522 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.058 -1.948 -6.326 1.00 0.00 H new ATOM 603 N GLU A 105 -12.400 0.361 -11.387 1.00 0.00 N ATOM 604 CA GLU A 105 -12.939 1.500 -12.177 1.00 0.00 C ATOM 605 C GLU A 105 -13.375 2.712 -11.339 1.00 0.00 C ATOM 606 O GLU A 105 -12.791 3.781 -11.447 1.00 0.00 O ATOM 607 CB GLU A 105 -14.050 1.044 -13.152 1.00 0.00 C ATOM 608 CG GLU A 105 -14.390 2.097 -14.206 1.00 0.00 C ATOM 609 CD GLU A 105 -15.558 1.643 -15.085 1.00 0.00 C ATOM 610 OE1 GLU A 105 -15.312 0.777 -15.952 1.00 0.00 O ATOM 611 OE2 GLU A 105 -16.659 2.213 -14.901 1.00 0.00 O ATOM 0 H GLU A 105 -11.391 0.274 -11.507 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.095 1.859 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.734 0.128 -13.651 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.948 0.804 -12.583 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.644 3.037 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.516 2.288 -14.828 1.00 0.00 H new ATOM 612 N ASN A 106 -14.166 2.398 -10.322 1.00 0.00 N ATOM 613 CA ASN A 106 -14.866 3.372 -9.470 1.00 0.00 C ATOM 614 C ASN A 106 -14.057 4.036 -8.327 1.00 0.00 C ATOM 615 O ASN A 106 -14.639 4.476 -7.339 1.00 0.00 O ATOM 616 CB ASN A 106 -16.066 2.585 -8.950 1.00 0.00 C ATOM 617 CG ASN A 106 -17.232 2.596 -9.946 1.00 0.00 C ATOM 618 OD1 ASN A 106 -17.251 1.904 -10.957 1.00 0.00 O ATOM 619 ND2 ASN A 106 -18.214 3.433 -9.679 1.00 0.00 N ATOM 0 H ASN A 106 -14.349 1.431 -10.052 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.115 4.255 -10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.767 1.556 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.395 3.009 -8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.005 3.512 -10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.183 4.002 -8.833 1.00 0.00 H new ATOM 620 N HIS A 107 -12.800 4.358 -8.647 1.00 0.00 N ATOM 621 CA HIS A 107 -11.781 5.005 -7.782 1.00 0.00 C ATOM 622 C HIS A 107 -11.204 4.139 -6.647 1.00 0.00 C ATOM 623 O HIS A 107 -10.286 4.590 -5.964 1.00 0.00 O ATOM 624 CB HIS A 107 -12.209 6.361 -7.177 1.00 0.00 C ATOM 625 CG HIS A 107 -12.905 7.288 -8.174 1.00 0.00 C ATOM 626 ND1 HIS A 107 -14.134 7.080 -8.620 1.00 0.00 N ATOM 627 CD2 HIS A 107 -12.455 8.431 -8.687 1.00 0.00 C ATOM 628 CE1 HIS A 107 -14.456 8.078 -9.438 1.00 0.00 C ATOM 629 NE2 HIS A 107 -13.419 8.912 -9.473 1.00 0.00 N ATOM 0 H HIS A 107 -12.432 4.165 -9.578 1.00 0.00 H new ATOM 0 HA HIS A 107 -10.991 5.167 -8.515 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.878 6.178 -6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.328 6.865 -6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.492 8.883 -8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -15.386 8.191 -9.975 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -13.370 9.776 -10.012 1.00 0.00 H new ATOM 630 N TYR A 108 -11.475 2.840 -6.710 1.00 0.00 N ATOM 631 CA TYR A 108 -11.080 1.904 -5.643 1.00 0.00 C ATOM 632 C TYR A 108 -9.817 1.124 -6.050 1.00 0.00 C ATOM 633 O TYR A 108 -9.795 -0.095 -6.184 1.00 0.00 O ATOM 634 CB TYR A 108 -12.232 0.971 -5.285 1.00 0.00 C ATOM 635 CG TYR A 108 -13.347 1.683 -4.522 1.00 0.00 C ATOM 636 CD1 TYR A 108 -13.231 1.810 -3.126 1.00 0.00 C ATOM 637 CD2 TYR A 108 -14.456 2.182 -5.234 1.00 0.00 C ATOM 638 CE1 TYR A 108 -14.257 2.471 -2.416 1.00 0.00 C ATOM 639 CE2 TYR A 108 -15.478 2.841 -4.533 1.00 0.00 C ATOM 640 CZ TYR A 108 -15.352 2.978 -3.133 1.00 0.00 C ATOM 641 OH TYR A 108 -16.330 3.632 -2.455 1.00 0.00 O ATOM 0 H TYR A 108 -11.968 2.402 -7.488 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.839 2.478 -4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.641 0.537 -6.198 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.853 0.146 -4.682 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.373 1.409 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -14.519 2.059 -6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -14.200 2.584 -1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -16.340 3.234 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 108 -17.022 3.927 -3.083 1.00 0.00 H new ATOM 642 N ASN A 109 -8.752 1.916 -6.079 1.00 0.00 N ATOM 643 CA ASN A 109 -7.404 1.548 -6.525 1.00 0.00 C ATOM 644 C ASN A 109 -6.736 0.441 -5.699 1.00 0.00 C ATOM 645 O ASN A 109 -6.038 0.631 -4.701 1.00 0.00 O ATOM 646 CB ASN A 109 -6.522 2.783 -6.633 1.00 0.00 C ATOM 647 CG ASN A 109 -6.196 3.106 -8.093 1.00 0.00 C ATOM 648 OD1 ASN A 109 -6.159 2.266 -8.983 1.00 0.00 O ATOM 649 ND2 ASN A 109 -5.837 4.345 -8.359 1.00 0.00 N ATOM 0 H ASN A 109 -8.804 2.888 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.527 1.110 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.025 3.634 -6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.597 2.622 -6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.532 4.597 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.864 5.053 -7.625 1.00 0.00 H new ATOM 650 N THR A 110 -6.946 -0.709 -6.294 1.00 0.00 N ATOM 651 CA THR A 110 -6.388 -2.009 -5.932 1.00 0.00 C ATOM 652 C THR A 110 -5.133 -2.176 -6.788 1.00 0.00 C ATOM 653 O THR A 110 -5.063 -1.708 -7.929 1.00 0.00 O ATOM 654 CB THR A 110 -7.479 -3.026 -6.269 1.00 0.00 C ATOM 655 OG1 THR A 110 -8.008 -2.708 -7.565 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.625 -2.988 -5.258 1.00 0.00 C ATOM 0 H THR A 110 -7.557 -0.775 -7.108 1.00 0.00 H new ATOM 0 HA THR A 110 -6.109 -2.127 -4.885 1.00 0.00 H new ATOM 0 HB THR A 110 -7.037 -4.022 -6.246 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.509 -3.476 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.378 -3.726 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.241 -3.216 -4.264 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.074 -1.995 -5.254 1.00 0.00 H new ATOM 657 N TYR A 111 -4.113 -2.797 -6.205 1.00 0.00 N ATOM 658 CA TYR A 111 -2.777 -2.854 -6.824 1.00 0.00 C ATOM 659 C TYR A 111 -2.022 -4.144 -6.504 1.00 0.00 C ATOM 660 O TYR A 111 -1.690 -4.384 -5.343 1.00 0.00 O ATOM 661 CB TYR A 111 -1.879 -1.711 -6.348 1.00 0.00 C ATOM 662 CG TYR A 111 -2.374 -0.264 -6.407 1.00 0.00 C ATOM 663 CD1 TYR A 111 -2.772 0.310 -7.625 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.278 0.504 -5.224 1.00 0.00 C ATOM 665 CE1 TYR A 111 -3.084 1.682 -7.656 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.581 1.876 -5.251 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.970 2.448 -6.486 1.00 0.00 C ATOM 668 OH TYR A 111 -3.151 3.796 -6.564 1.00 0.00 O ATOM 0 H TYR A 111 -4.178 -3.271 -5.304 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.975 -2.788 -7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.614 -1.919 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.958 -1.761 -6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.837 -0.290 -8.521 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -1.972 0.036 -4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -3.410 2.143 -8.577 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.519 2.477 -4.356 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.347 4.047 -7.491 1.00 0.00 H new ATOM 669 N ILE A 112 -1.752 -4.963 -7.531 1.00 0.00 N ATOM 670 CA ILE A 112 -0.887 -6.153 -7.381 1.00 0.00 C ATOM 671 C ILE A 112 0.570 -5.671 -7.335 1.00 0.00 C ATOM 672 O ILE A 112 1.058 -5.033 -8.264 1.00 0.00 O ATOM 673 CB ILE A 112 -0.922 -7.147 -8.555 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.327 -7.447 -9.107 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.112 -8.423 -8.255 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.160 -8.535 -8.414 1.00 0.00 C ATOM 0 H ILE A 112 -2.117 -4.828 -8.474 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.252 -6.659 -6.487 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.423 -6.631 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -2.900 -6.520 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.221 -7.726 -10.155 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.164 -9.097 -9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.928 -8.158 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.526 -8.919 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.123 -8.631 -8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.629 -9.486 -8.463 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.320 -8.262 -7.371 1.00 0.00 H new ATOM 677 N SER A 113 1.278 -6.187 -6.344 1.00 0.00 N ATOM 678 CA SER A 113 2.747 -6.088 -6.295 1.00 0.00 C ATOM 679 C SER A 113 3.343 -6.961 -7.406 1.00 0.00 C ATOM 680 O SER A 113 3.120 -8.172 -7.445 1.00 0.00 O ATOM 681 CB SER A 113 3.337 -6.446 -4.921 1.00 0.00 C ATOM 682 OG SER A 113 2.953 -7.750 -4.470 1.00 0.00 O ATOM 0 H SER A 113 0.867 -6.683 -5.554 1.00 0.00 H new ATOM 0 HA SER A 113 3.017 -5.045 -6.458 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.424 -6.391 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.015 -5.705 -4.189 1.00 0.00 H new ATOM 0 HG SER A 113 2.865 -7.746 -3.494 1.00 0.00 H new ATOM 683 N LYS A 114 3.918 -6.294 -8.397 1.00 0.00 N ATOM 684 CA LYS A 114 4.498 -6.921 -9.610 1.00 0.00 C ATOM 685 C LYS A 114 5.198 -8.263 -9.388 1.00 0.00 C ATOM 686 O LYS A 114 4.819 -9.249 -10.003 1.00 0.00 O ATOM 687 CB LYS A 114 5.490 -6.008 -10.309 1.00 0.00 C ATOM 688 CG LYS A 114 4.767 -4.968 -11.143 1.00 0.00 C ATOM 689 CD LYS A 114 5.722 -4.511 -12.231 1.00 0.00 C ATOM 690 CE LYS A 114 4.907 -3.948 -13.389 1.00 0.00 C ATOM 691 NZ LYS A 114 5.328 -4.710 -14.562 1.00 0.00 N ATOM 0 H LYS A 114 4.004 -5.278 -8.394 1.00 0.00 H new ATOM 0 HA LYS A 114 3.616 -7.101 -10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.120 -5.514 -9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.149 -6.598 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.861 -5.389 -11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.460 -4.125 -10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.402 -3.753 -11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.335 -5.345 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.838 -4.061 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.097 -2.883 -13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.807 -4.376 -15.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.348 -4.578 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.128 -5.719 -14.410 1.00 0.00 H new ATOM 692 N LYS A 115 6.087 -8.301 -8.397 1.00 0.00 N ATOM 693 CA LYS A 115 6.809 -9.551 -8.119 1.00 0.00 C ATOM 694 C LYS A 115 5.868 -10.673 -7.618 1.00 0.00 C ATOM 695 O LYS A 115 5.963 -11.800 -8.083 1.00 0.00 O ATOM 696 CB LYS A 115 8.018 -9.310 -7.208 1.00 0.00 C ATOM 697 CG LYS A 115 7.750 -9.384 -5.704 1.00 0.00 C ATOM 698 CD LYS A 115 8.637 -10.427 -5.004 1.00 0.00 C ATOM 699 CE LYS A 115 8.237 -11.855 -5.347 1.00 0.00 C ATOM 700 NZ LYS A 115 9.425 -12.636 -5.712 1.00 0.00 N ATOM 0 H LYS A 115 6.322 -7.515 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 115 7.211 -9.917 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.787 -10.042 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.429 -8.326 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.923 -8.405 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.702 -9.630 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.677 -10.266 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.577 -10.285 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.737 -12.316 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.525 -11.854 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.142 -13.609 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.885 -12.202 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.090 -12.650 -4.913 1.00 0.00 H new ATOM 701 N HIS A 116 4.839 -10.310 -6.843 1.00 0.00 N ATOM 702 CA HIS A 116 3.898 -11.286 -6.280 1.00 0.00 C ATOM 703 C HIS A 116 2.652 -11.492 -7.157 1.00 0.00 C ATOM 704 O HIS A 116 1.660 -12.049 -6.697 1.00 0.00 O ATOM 705 CB HIS A 116 3.496 -10.872 -4.860 1.00 0.00 C ATOM 706 CG HIS A 116 4.696 -10.738 -3.919 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.087 -9.606 -3.359 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.440 -11.724 -3.426 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.065 -9.883 -2.511 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.278 -11.191 -2.544 1.00 0.00 N ATOM 0 H HIS A 116 4.636 -9.343 -6.591 1.00 0.00 H new ATOM 0 HA HIS A 116 4.415 -12.245 -6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.964 -9.922 -4.900 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.802 -11.609 -4.454 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.702 -8.680 -3.548 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.375 -12.768 -3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.596 -9.169 -1.900 1.00 0.00 H new ATOM 711 N ALA A 117 2.810 -11.233 -8.456 1.00 0.00 N ATOM 712 CA ALA A 117 1.803 -11.551 -9.496 1.00 0.00 C ATOM 713 C ALA A 117 1.388 -13.031 -9.441 1.00 0.00 C ATOM 714 O ALA A 117 0.193 -13.315 -9.362 1.00 0.00 O ATOM 715 CB ALA A 117 2.369 -11.222 -10.876 1.00 0.00 C ATOM 0 H ALA A 117 3.649 -10.790 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 117 0.916 -10.946 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.627 -11.457 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.616 -10.162 -10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.268 -11.813 -11.051 1.00 0.00 H new ATOM 716 N GLU A 118 2.361 -13.888 -9.132 1.00 0.00 N ATOM 717 CA GLU A 118 2.111 -15.336 -9.002 1.00 0.00 C ATOM 718 C GLU A 118 1.399 -15.778 -7.700 1.00 0.00 C ATOM 719 O GLU A 118 1.063 -16.944 -7.519 1.00 0.00 O ATOM 720 CB GLU A 118 3.372 -16.169 -9.293 1.00 0.00 C ATOM 721 CG GLU A 118 4.531 -15.831 -8.361 1.00 0.00 C ATOM 722 CD GLU A 118 5.814 -16.598 -8.693 1.00 0.00 C ATOM 723 OE1 GLU A 118 6.512 -16.128 -9.615 1.00 0.00 O ATOM 724 OE2 GLU A 118 6.100 -17.579 -7.983 1.00 0.00 O ATOM 0 H GLU A 118 3.329 -13.613 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 118 1.380 -15.550 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.132 -17.228 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.681 -16.003 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.731 -14.761 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.239 -16.051 -7.334 1.00 0.00 H new ATOM 725 N LYS A 119 1.140 -14.809 -6.818 1.00 0.00 N ATOM 726 CA LYS A 119 0.345 -14.948 -5.588 1.00 0.00 C ATOM 727 C LYS A 119 -0.883 -14.005 -5.561 1.00 0.00 C ATOM 728 O LYS A 119 -1.765 -14.184 -4.735 1.00 0.00 O ATOM 729 CB LYS A 119 1.247 -14.680 -4.381 1.00 0.00 C ATOM 730 CG LYS A 119 2.129 -15.901 -4.064 1.00 0.00 C ATOM 731 CD LYS A 119 3.555 -15.476 -3.726 1.00 0.00 C ATOM 732 CE LYS A 119 4.304 -15.024 -4.989 1.00 0.00 C ATOM 733 NZ LYS A 119 5.723 -14.783 -4.679 1.00 0.00 N ATOM 0 H LYS A 119 1.494 -13.861 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.045 -15.965 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.878 -13.814 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.635 -14.435 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.703 -16.454 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.141 -16.577 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.535 -14.664 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.086 -16.306 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.218 -15.786 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.851 -14.115 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.045 -13.926 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.838 -14.657 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.290 -15.596 -4.993 1.00 0.00 H new ATOM 734 N ASN A 120 -0.946 -13.092 -6.535 1.00 0.00 N ATOM 735 CA ASN A 120 -1.959 -12.008 -6.666 1.00 0.00 C ATOM 736 C ASN A 120 -2.024 -11.092 -5.430 1.00 0.00 C ATOM 737 O ASN A 120 -3.088 -10.602 -5.053 1.00 0.00 O ATOM 738 CB ASN A 120 -3.348 -12.593 -6.957 1.00 0.00 C ATOM 739 CG ASN A 120 -3.417 -13.498 -8.190 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.702 -13.098 -9.314 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.305 -14.789 -7.962 1.00 0.00 N ATOM 0 H ASN A 120 -0.266 -13.077 -7.295 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.639 -11.392 -7.506 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.677 -13.162 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.053 -11.772 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.455 -15.456 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.068 -15.123 -7.028 1.00 0.00 H new ATOM 742 N TRP A 121 -0.860 -10.829 -4.843 1.00 0.00 N ATOM 743 CA TRP A 121 -0.798 -10.005 -3.626 1.00 0.00 C ATOM 744 C TRP A 121 -0.923 -8.501 -3.850 1.00 0.00 C ATOM 745 O TRP A 121 -0.002 -7.829 -4.334 1.00 0.00 O ATOM 746 CB TRP A 121 0.458 -10.277 -2.803 1.00 0.00 C ATOM 747 CG TRP A 121 0.494 -11.653 -2.146 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.505 -12.526 -2.033 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.592 -12.164 -1.483 1.00 0.00 C ATOM 750 NE1 TRP A 121 -0.070 -13.593 -1.366 1.00 0.00 N ATOM 751 CE2 TRP A 121 1.187 -13.413 -0.981 1.00 0.00 C ATOM 752 CE3 TRP A 121 2.875 -11.662 -1.210 1.00 0.00 C ATOM 753 CZ2 TRP A 121 2.052 -14.164 -0.157 1.00 0.00 C ATOM 754 CZ3 TRP A 121 3.769 -12.430 -0.448 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.343 -13.664 0.098 1.00 0.00 C ATOM 0 H TRP A 121 0.043 -11.165 -5.178 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.684 -10.319 -3.075 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.330 -10.173 -3.448 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.542 -9.515 -2.028 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.504 -12.391 -2.419 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.624 -14.429 -1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 121 3.171 -10.693 -1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 1.730 -15.103 0.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.777 -12.081 -0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 121 4.019 -14.231 0.720 1.00 0.00 H new ATOM 756 N PHE A 122 -2.063 -8.027 -3.363 1.00 0.00 N ATOM 757 CA PHE A 122 -2.360 -6.592 -3.349 1.00 0.00 C ATOM 758 C PHE A 122 -1.971 -5.940 -2.026 1.00 0.00 C ATOM 759 O PHE A 122 -1.863 -6.561 -0.973 1.00 0.00 O ATOM 760 CB PHE A 122 -3.849 -6.277 -3.542 1.00 0.00 C ATOM 761 CG PHE A 122 -4.498 -6.891 -4.782 1.00 0.00 C ATOM 762 CD1 PHE A 122 -4.890 -8.244 -4.762 1.00 0.00 C ATOM 763 CD2 PHE A 122 -4.878 -6.036 -5.844 1.00 0.00 C ATOM 764 CE1 PHE A 122 -5.693 -8.761 -5.807 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.685 -6.542 -6.880 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.081 -7.895 -6.852 1.00 0.00 C ATOM 0 H PHE A 122 -2.801 -8.613 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.777 -6.198 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.392 -6.621 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.970 -5.195 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.579 -8.886 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.552 -5.006 -5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.002 -9.796 -5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.998 -5.899 -7.690 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.698 -8.279 -7.651 1.00 0.00 H new ATOM 767 N VAL A 123 -1.731 -4.645 -2.199 1.00 0.00 N ATOM 768 CA VAL A 123 -1.651 -3.633 -1.140 1.00 0.00 C ATOM 769 C VAL A 123 -2.925 -3.686 -0.290 1.00 0.00 C ATOM 770 O VAL A 123 -4.009 -3.902 -0.834 1.00 0.00 O ATOM 771 CB VAL A 123 -1.461 -2.281 -1.876 1.00 0.00 C ATOM 772 CG1 VAL A 123 -2.584 -1.983 -2.883 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.289 -1.113 -0.923 1.00 0.00 C ATOM 0 H VAL A 123 -1.579 -4.248 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.826 -3.792 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 123 -0.534 -2.396 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.395 -1.024 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -2.614 -2.769 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -3.540 -1.944 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.160 -0.193 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -2.172 -1.026 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.411 -1.279 -0.299 1.00 0.00 H new ATOM 774 N GLY A 124 -2.820 -3.355 0.989 1.00 0.00 N ATOM 775 CA GLY A 124 -3.949 -3.556 1.912 1.00 0.00 C ATOM 776 C GLY A 124 -3.761 -2.905 3.263 1.00 0.00 C ATOM 777 O GLY A 124 -2.662 -2.596 3.714 1.00 0.00 O ATOM 0 H GLY A 124 -1.985 -2.953 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.855 -3.161 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.103 -4.626 2.054 1.00 0.00 H new ATOM 778 N LEU A 125 -4.928 -2.464 3.686 1.00 0.00 N ATOM 779 CA LEU A 125 -5.092 -1.759 4.943 1.00 0.00 C ATOM 780 C LEU A 125 -5.646 -2.630 6.054 1.00 0.00 C ATOM 781 O LEU A 125 -6.688 -3.273 5.934 1.00 0.00 O ATOM 782 CB LEU A 125 -5.953 -0.516 4.677 1.00 0.00 C ATOM 783 CG LEU A 125 -5.093 0.684 5.052 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.744 0.791 4.354 1.00 0.00 C ATOM 785 CD2 LEU A 125 -5.898 1.962 4.787 1.00 0.00 C ATOM 0 H LEU A 125 -5.796 -2.585 3.164 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.112 -1.457 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -6.254 -0.468 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.867 -0.541 5.271 1.00 0.00 H new ATOM 0 HG LEU A 125 -4.849 0.545 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.224 1.684 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.145 -0.090 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.896 0.856 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -5.297 2.832 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.165 2.012 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -6.806 1.952 5.391 1.00 0.00 H new ATOM 786 N LYS A 126 -4.783 -2.807 7.037 1.00 0.00 N ATOM 787 CA LYS A 126 -5.154 -3.589 8.215 1.00 0.00 C ATOM 788 C LYS A 126 -6.013 -2.764 9.175 1.00 0.00 C ATOM 789 O LYS A 126 -5.526 -1.845 9.837 1.00 0.00 O ATOM 790 CB LYS A 126 -3.897 -4.141 8.913 1.00 0.00 C ATOM 791 CG LYS A 126 -3.986 -5.577 9.429 1.00 0.00 C ATOM 792 CD LYS A 126 -5.041 -5.853 10.517 1.00 0.00 C ATOM 793 CE LYS A 126 -4.924 -4.962 11.763 1.00 0.00 C ATOM 794 NZ LYS A 126 -5.522 -5.666 12.914 1.00 0.00 N ATOM 0 H LYS A 126 -3.835 -2.430 7.051 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.756 -4.437 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.063 -4.079 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.658 -3.489 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.190 -6.232 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.009 -5.859 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -6.033 -5.721 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.963 -6.896 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.878 -4.732 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.433 -4.013 11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.727 -4.983 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -6.405 -6.129 12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -4.856 -6.383 13.266 1.00 0.00 H new ATOM 795 N LYS A 127 -7.207 -3.315 9.338 1.00 0.00 N ATOM 796 CA LYS A 127 -8.428 -2.763 9.979 1.00 0.00 C ATOM 797 C LYS A 127 -8.405 -2.056 11.357 1.00 0.00 C ATOM 798 O LYS A 127 -9.446 -1.621 11.840 1.00 0.00 O ATOM 799 CB LYS A 127 -9.439 -3.921 10.018 1.00 0.00 C ATOM 800 CG LYS A 127 -10.490 -3.807 8.909 1.00 0.00 C ATOM 801 CD LYS A 127 -11.478 -2.685 9.220 1.00 0.00 C ATOM 802 CE LYS A 127 -12.576 -2.604 8.159 1.00 0.00 C ATOM 803 NZ LYS A 127 -13.543 -1.568 8.555 1.00 0.00 N ATOM 0 H LYS A 127 -7.380 -4.260 8.994 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.660 -1.900 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.909 -4.868 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.936 -3.935 10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -10.000 -3.614 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -11.024 -4.752 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.927 -2.853 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.948 -1.734 9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -12.144 -2.366 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -13.075 -3.568 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -14.295 -1.504 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -13.960 -1.816 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.058 -0.651 8.630 1.00 0.00 H new ATOM 804 N ASN A 128 -7.225 -1.808 11.887 1.00 0.00 N ATOM 805 CA ASN A 128 -7.034 -1.219 13.223 1.00 0.00 C ATOM 806 C ASN A 128 -6.107 -0.003 13.183 1.00 0.00 C ATOM 807 O ASN A 128 -6.544 1.126 13.408 1.00 0.00 O ATOM 808 CB ASN A 128 -6.477 -2.321 14.119 1.00 0.00 C ATOM 809 CG ASN A 128 -7.516 -3.322 14.650 1.00 0.00 C ATOM 810 OD1 ASN A 128 -7.176 -4.372 15.170 1.00 0.00 O ATOM 811 ND2 ASN A 128 -8.794 -3.064 14.473 1.00 0.00 N ATOM 0 H ASN A 128 -6.349 -2.009 11.404 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.983 -0.850 13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.718 -2.871 13.562 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.976 -1.857 14.969 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -9.497 -3.741 14.770 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -9.082 -2.187 14.039 1.00 0.00 H new ATOM 812 N GLY A 129 -4.810 -0.286 13.037 1.00 0.00 N ATOM 813 CA GLY A 129 -3.768 0.730 12.873 1.00 0.00 C ATOM 814 C GLY A 129 -2.517 0.173 12.191 1.00 0.00 C ATOM 815 O GLY A 129 -1.388 0.560 12.493 1.00 0.00 O ATOM 0 H GLY A 129 -4.450 -1.240 13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.161 1.559 12.285 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.498 1.132 13.850 1.00 0.00 H new ATOM 816 N SER A 130 -2.748 -0.738 11.249 1.00 0.00 N ATOM 817 CA SER A 130 -1.648 -1.433 10.566 1.00 0.00 C ATOM 818 C SER A 130 -1.863 -1.539 9.054 1.00 0.00 C ATOM 819 O SER A 130 -2.856 -1.037 8.541 1.00 0.00 O ATOM 820 CB SER A 130 -1.440 -2.826 11.185 1.00 0.00 C ATOM 821 OG SER A 130 -1.370 -2.713 12.606 1.00 0.00 O ATOM 0 H SER A 130 -3.680 -1.015 10.939 1.00 0.00 H new ATOM 0 HA SER A 130 -0.749 -0.834 10.710 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.260 -3.487 10.903 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.523 -3.273 10.800 1.00 0.00 H new ATOM 0 HG SER A 130 -1.239 -3.601 12.999 1.00 0.00 H new ATOM 822 N CYS A 131 -0.817 -1.969 8.351 1.00 0.00 N ATOM 823 CA CYS A 131 -0.918 -2.173 6.892 1.00 0.00 C ATOM 824 C CYS A 131 -0.323 -3.478 6.360 1.00 0.00 C ATOM 825 O CYS A 131 -0.844 -4.072 5.413 1.00 0.00 O ATOM 826 CB CYS A 131 -0.267 -0.991 6.169 1.00 0.00 C ATOM 827 SG CYS A 131 -1.215 0.534 6.532 1.00 0.00 S ATOM 0 H CYS A 131 0.097 -2.182 8.750 1.00 0.00 H new ATOM 0 HA CYS A 131 -1.987 -2.242 6.689 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.767 -0.876 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.246 -1.173 5.095 1.00 0.00 H new ATOM 0 HG CYS A 131 -2.234 0.243 7.285 1.00 0.00 H new ATOM 828 N LYS A 132 0.738 -3.956 7.014 1.00 0.00 N ATOM 829 CA LYS A 132 1.582 -5.049 6.521 1.00 0.00 C ATOM 830 C LYS A 132 1.037 -6.452 6.207 1.00 0.00 C ATOM 831 O LYS A 132 1.185 -7.420 6.950 1.00 0.00 O ATOM 832 CB LYS A 132 2.934 -5.083 7.263 1.00 0.00 C ATOM 833 CG LYS A 132 2.867 -4.862 8.774 1.00 0.00 C ATOM 834 CD LYS A 132 2.166 -5.998 9.512 1.00 0.00 C ATOM 835 CE LYS A 132 1.761 -5.564 10.918 1.00 0.00 C ATOM 836 NZ LYS A 132 1.209 -6.727 11.597 1.00 0.00 N ATOM 0 H LYS A 132 1.041 -3.589 7.916 1.00 0.00 H new ATOM 0 HA LYS A 132 1.673 -4.729 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 132 3.406 -6.048 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.584 -4.321 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.879 -4.752 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 132 2.344 -3.927 8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 132 1.283 -6.309 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 132 2.827 -6.862 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 132 2.622 -5.176 11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 132 1.025 -4.762 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 0.923 -6.463 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 0.381 -7.074 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 1.929 -7.476 11.643 1.00 0.00 H new ATOM 837 N ARG A 133 0.546 -6.526 4.972 1.00 0.00 N ATOM 838 CA ARG A 133 0.130 -7.781 4.358 1.00 0.00 C ATOM 839 C ARG A 133 0.677 -8.135 2.966 1.00 0.00 C ATOM 840 O ARG A 133 1.512 -7.452 2.385 1.00 0.00 O ATOM 841 CB ARG A 133 -1.411 -7.916 4.412 1.00 0.00 C ATOM 842 CG ARG A 133 -1.850 -8.804 5.580 1.00 0.00 C ATOM 843 CD ARG A 133 -2.441 -7.980 6.722 1.00 0.00 C ATOM 844 NE ARG A 133 -3.829 -7.568 6.444 1.00 0.00 N ATOM 845 CZ ARG A 133 -4.265 -6.397 5.954 1.00 0.00 C ATOM 846 NH1 ARG A 133 -3.467 -5.405 5.577 1.00 0.00 N ATOM 847 NH2 ARG A 133 -5.564 -6.192 5.862 1.00 0.00 N ATOM 0 H ARG A 133 0.426 -5.713 4.368 1.00 0.00 H new ATOM 0 HA ARG A 133 0.619 -8.531 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.862 -6.929 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -1.775 -8.338 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -2.589 -9.526 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.996 -9.374 5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -2.413 -8.563 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -1.826 -7.095 6.887 1.00 0.00 H new ATOM 0 HE ARG A 133 -4.549 -8.260 6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -2.455 -5.508 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -3.866 -4.540 5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -6.217 -6.916 6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -5.916 -5.309 5.492 1.00 0.00 H new ATOM 848 N GLY A 134 0.097 -9.236 2.479 1.00 0.00 N ATOM 849 CA GLY A 134 0.439 -10.022 1.283 1.00 0.00 C ATOM 850 C GLY A 134 -0.671 -11.070 1.052 1.00 0.00 C ATOM 851 O GLY A 134 -1.646 -10.741 0.388 1.00 0.00 O ATOM 0 H GLY A 134 -0.706 -9.643 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.531 -9.370 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.403 -10.514 1.416 1.00 0.00 H new ATOM 852 N PRO A 135 -0.669 -12.219 1.757 1.00 0.00 N ATOM 853 CA PRO A 135 -1.516 -13.377 1.406 1.00 0.00 C ATOM 854 C PRO A 135 -3.024 -13.253 1.625 1.00 0.00 C ATOM 855 O PRO A 135 -3.800 -13.823 0.866 1.00 0.00 O ATOM 856 CB PRO A 135 -0.865 -14.549 2.142 1.00 0.00 C ATOM 857 CG PRO A 135 -0.409 -13.905 3.442 1.00 0.00 C ATOM 858 CD PRO A 135 0.030 -12.492 3.028 1.00 0.00 C ATOM 0 HA PRO A 135 -1.532 -13.501 0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.570 -15.361 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.029 -14.967 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.215 -13.873 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.412 -14.460 3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.238 -11.759 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 135 1.111 -12.438 2.901 1.00 0.00 H new ATOM 859 N ARG A 136 -3.391 -12.516 2.660 1.00 0.00 N ATOM 860 CA ARG A 136 -4.790 -12.201 2.999 1.00 0.00 C ATOM 861 C ARG A 136 -5.448 -11.260 1.973 1.00 0.00 C ATOM 862 O ARG A 136 -6.583 -11.473 1.561 1.00 0.00 O ATOM 863 CB ARG A 136 -4.722 -11.539 4.369 1.00 0.00 C ATOM 864 CG ARG A 136 -6.087 -11.248 4.982 1.00 0.00 C ATOM 865 CD ARG A 136 -5.895 -10.307 6.169 1.00 0.00 C ATOM 866 NE ARG A 136 -7.196 -9.887 6.709 1.00 0.00 N ATOM 867 CZ ARG A 136 -7.857 -8.764 6.407 1.00 0.00 C ATOM 868 NH1 ARG A 136 -7.631 -8.055 5.314 1.00 0.00 N ATOM 869 NH2 ARG A 136 -8.947 -8.472 7.094 1.00 0.00 N ATOM 0 H ARG A 136 -2.719 -12.106 3.309 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.404 -13.102 2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.160 -12.183 5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.166 -10.605 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -6.746 -10.794 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.562 -12.174 5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.316 -10.806 6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.324 -9.432 5.858 1.00 0.00 H new ATOM 0 HE ARG A 136 -7.639 -10.514 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.920 -8.357 4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -8.168 -7.206 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -9.266 -9.097 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -9.470 -7.622 6.884 1.00 0.00 H new ATOM 870 N THR A 137 -4.651 -10.305 1.500 1.00 0.00 N ATOM 871 CA THR A 137 -5.100 -9.166 0.685 1.00 0.00 C ATOM 872 C THR A 137 -5.219 -9.461 -0.817 1.00 0.00 C ATOM 873 O THR A 137 -4.292 -9.283 -1.599 1.00 0.00 O ATOM 874 CB THR A 137 -4.196 -7.966 0.969 1.00 0.00 C ATOM 875 OG1 THR A 137 -2.829 -8.386 1.105 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.696 -7.195 2.193 1.00 0.00 C ATOM 0 H THR A 137 -3.646 -10.297 1.675 1.00 0.00 H new ATOM 0 HA THR A 137 -6.124 -8.939 0.983 1.00 0.00 H new ATOM 0 HB THR A 137 -4.236 -7.281 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.272 -7.900 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.040 -6.344 2.380 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.710 -6.838 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.695 -7.852 3.063 1.00 0.00 H new ATOM 877 N HIS A 138 -6.412 -9.955 -1.137 1.00 0.00 N ATOM 878 CA HIS A 138 -6.874 -10.192 -2.518 1.00 0.00 C ATOM 879 C HIS A 138 -8.204 -9.473 -2.791 1.00 0.00 C ATOM 880 O HIS A 138 -8.719 -8.746 -1.936 1.00 0.00 O ATOM 881 CB HIS A 138 -6.957 -11.696 -2.836 1.00 0.00 C ATOM 882 CG HIS A 138 -8.048 -12.465 -2.078 1.00 0.00 C ATOM 883 ND1 HIS A 138 -7.939 -12.953 -0.850 1.00 0.00 N ATOM 884 CD2 HIS A 138 -9.190 -12.906 -2.591 1.00 0.00 C ATOM 885 CE1 HIS A 138 -9.013 -13.688 -0.588 1.00 0.00 C ATOM 886 NE2 HIS A 138 -9.767 -13.678 -1.678 1.00 0.00 N ATOM 0 H HIS A 138 -7.106 -10.210 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.132 -9.766 -3.193 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.127 -11.816 -3.906 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -5.992 -12.152 -2.613 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -7.159 -12.791 -0.213 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -9.579 -12.678 -3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -9.231 -14.198 0.339 1.00 0.00 H new ATOM 887 N TYR A 139 -8.551 -9.392 -4.075 1.00 0.00 N ATOM 888 CA TYR A 139 -9.878 -8.958 -4.549 1.00 0.00 C ATOM 889 C TYR A 139 -11.053 -9.654 -3.838 1.00 0.00 C ATOM 890 O TYR A 139 -11.404 -10.799 -4.112 1.00 0.00 O ATOM 891 CB TYR A 139 -9.980 -9.115 -6.070 1.00 0.00 C ATOM 892 CG TYR A 139 -9.768 -7.810 -6.857 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.277 -6.585 -6.354 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.172 -7.869 -8.136 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.168 -5.430 -7.129 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.070 -6.705 -8.916 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.570 -5.480 -8.409 1.00 0.00 C ATOM 898 OH TYR A 139 -9.511 -4.339 -9.151 1.00 0.00 O ATOM 0 H TYR A 139 -7.911 -9.629 -4.833 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.965 -7.903 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.242 -9.847 -6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.962 -9.519 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.744 -6.547 -5.381 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -8.795 -8.808 -8.514 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.543 -4.491 -6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.614 -6.744 -9.894 1.00 0.00 H new ATOM 0 HH TYR A 139 -9.851 -4.517 -10.053 1.00 0.00 H new ATOM 899 N GLY A 140 -11.394 -8.994 -2.727 1.00 0.00 N ATOM 900 CA GLY A 140 -12.493 -9.370 -1.816 1.00 0.00 C ATOM 901 C GLY A 140 -12.360 -8.683 -0.462 1.00 0.00 C ATOM 902 O GLY A 140 -13.356 -8.392 0.192 1.00 0.00 O ATOM 0 H GLY A 140 -10.900 -8.155 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.448 -9.103 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -12.497 -10.451 -1.677 1.00 0.00 H new ATOM 903 N GLN A 141 -11.121 -8.467 -0.012 1.00 0.00 N ATOM 904 CA GLN A 141 -10.864 -7.661 1.188 1.00 0.00 C ATOM 905 C GLN A 141 -10.909 -6.194 0.817 1.00 0.00 C ATOM 906 O GLN A 141 -10.147 -5.682 -0.002 1.00 0.00 O ATOM 907 CB GLN A 141 -9.482 -7.939 1.793 1.00 0.00 C ATOM 908 CG GLN A 141 -9.294 -9.354 2.360 1.00 0.00 C ATOM 909 CD GLN A 141 -9.383 -10.484 1.330 1.00 0.00 C ATOM 910 OE1 GLN A 141 -9.011 -10.355 0.170 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.929 -11.618 1.720 1.00 0.00 N ATOM 0 H GLN A 141 -10.282 -8.837 -0.458 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.627 -7.923 1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -8.726 -7.767 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.299 -7.218 2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -8.322 -9.406 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -10.048 -9.524 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -10.240 -11.729 2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.041 -12.385 1.057 1.00 0.00 H new ATOM 912 N LYS A 142 -11.845 -5.574 1.496 1.00 0.00 N ATOM 913 CA LYS A 142 -12.054 -4.116 1.515 1.00 0.00 C ATOM 914 C LYS A 142 -10.756 -3.324 1.763 1.00 0.00 C ATOM 915 O LYS A 142 -10.550 -2.245 1.197 1.00 0.00 O ATOM 916 CB LYS A 142 -13.100 -3.910 2.610 1.00 0.00 C ATOM 917 CG LYS A 142 -14.404 -4.638 2.241 1.00 0.00 C ATOM 918 CD LYS A 142 -15.176 -3.851 1.179 1.00 0.00 C ATOM 919 CE LYS A 142 -16.428 -4.580 0.724 1.00 0.00 C ATOM 920 NZ LYS A 142 -17.060 -3.710 -0.271 1.00 0.00 N ATOM 0 H LYS A 142 -12.516 -6.076 2.078 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.389 -3.735 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -12.721 -4.286 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.294 -2.846 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.177 -5.637 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -15.022 -4.763 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -15.451 -2.875 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -14.529 -3.672 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -16.180 -5.550 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -17.099 -4.765 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -17.930 -4.159 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -17.295 -2.796 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -16.405 -3.556 -1.064 1.00 0.00 H new ATOM 921 N ALA A 143 -9.837 -3.999 2.460 1.00 0.00 N ATOM 922 CA ALA A 143 -8.431 -3.622 2.671 1.00 0.00 C ATOM 923 C ALA A 143 -7.705 -3.127 1.415 1.00 0.00 C ATOM 924 O ALA A 143 -6.971 -2.138 1.497 1.00 0.00 O ATOM 925 CB ALA A 143 -7.671 -4.812 3.271 1.00 0.00 C ATOM 0 H ALA A 143 -10.067 -4.879 2.922 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.447 -2.774 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.628 -4.536 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.121 -5.088 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.722 -5.659 2.587 1.00 0.00 H new ATOM 926 N ILE A 144 -7.965 -3.777 0.285 1.00 0.00 N ATOM 927 CA ILE A 144 -7.257 -3.493 -0.979 1.00 0.00 C ATOM 928 C ILE A 144 -7.845 -2.334 -1.828 1.00 0.00 C ATOM 929 O ILE A 144 -7.176 -1.851 -2.732 1.00 0.00 O ATOM 930 CB ILE A 144 -7.046 -4.768 -1.839 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.319 -5.287 -2.483 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.308 -5.831 -1.018 1.00 0.00 C ATOM 933 CD1 ILE A 144 -7.940 -6.099 -3.715 1.00 0.00 C ATOM 0 H ILE A 144 -8.667 -4.513 0.209 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.283 -3.133 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.418 -4.495 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.875 -5.905 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.969 -4.457 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -6.162 -6.724 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.339 -5.442 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.897 -6.084 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -8.843 -6.480 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.400 -5.464 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.305 -6.934 -3.419 1.00 0.00 H new ATOM 934 N LEU A 145 -9.014 -1.814 -1.437 1.00 0.00 N ATOM 935 CA LEU A 145 -9.787 -0.838 -2.242 1.00 0.00 C ATOM 936 C LEU A 145 -9.522 0.642 -1.891 1.00 0.00 C ATOM 937 O LEU A 145 -10.351 1.310 -1.267 1.00 0.00 O ATOM 938 CB LEU A 145 -11.284 -1.144 -2.115 1.00 0.00 C ATOM 939 CG LEU A 145 -11.790 -2.297 -2.972 1.00 0.00 C ATOM 940 CD1 LEU A 145 -11.559 -3.648 -2.303 1.00 0.00 C ATOM 941 CD2 LEU A 145 -13.300 -2.130 -3.159 1.00 0.00 C ATOM 0 H LEU A 145 -9.459 -2.054 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 145 -9.446 -0.959 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.505 -1.365 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.844 -0.246 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.249 -2.276 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -11.935 -4.442 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -10.492 -3.792 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -12.085 -3.676 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -13.683 -2.947 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -13.791 -2.144 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -13.503 -1.180 -3.654 1.00 0.00 H new ATOM 942 N PHE A 146 -8.320 1.110 -2.219 1.00 0.00 N ATOM 943 CA PHE A 146 -7.884 2.501 -1.933 1.00 0.00 C ATOM 944 C PHE A 146 -8.451 3.638 -2.781 1.00 0.00 C ATOM 945 O PHE A 146 -8.784 3.445 -3.940 1.00 0.00 O ATOM 946 CB PHE A 146 -6.367 2.607 -2.007 1.00 0.00 C ATOM 947 CG PHE A 146 -5.676 1.638 -1.052 1.00 0.00 C ATOM 948 CD1 PHE A 146 -5.492 1.998 0.296 1.00 0.00 C ATOM 949 CD2 PHE A 146 -5.292 0.373 -1.554 1.00 0.00 C ATOM 950 CE1 PHE A 146 -4.889 1.060 1.161 1.00 0.00 C ATOM 951 CE2 PHE A 146 -4.721 -0.560 -0.670 1.00 0.00 C ATOM 952 CZ PHE A 146 -4.515 -0.213 0.678 1.00 0.00 C ATOM 0 H PHE A 146 -7.612 0.547 -2.690 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.299 2.654 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -6.039 2.405 -3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -6.063 3.627 -1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -5.804 2.966 0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -5.434 0.128 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.713 1.317 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.441 -1.541 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 146 -4.066 -0.928 1.351 1.00 0.00 H new ATOM 953 N LEU A 147 -8.530 4.831 -2.205 1.00 0.00 N ATOM 954 CA LEU A 147 -8.897 6.037 -2.977 1.00 0.00 C ATOM 955 C LEU A 147 -7.813 7.140 -2.987 1.00 0.00 C ATOM 956 O LEU A 147 -7.782 7.994 -2.099 1.00 0.00 O ATOM 957 CB LEU A 147 -10.244 6.607 -2.509 1.00 0.00 C ATOM 958 CG LEU A 147 -11.385 5.614 -2.716 1.00 0.00 C ATOM 959 CD1 LEU A 147 -11.814 5.050 -1.368 1.00 0.00 C ATOM 960 CD2 LEU A 147 -12.569 6.281 -3.415 1.00 0.00 C ATOM 0 H LEU A 147 -8.349 5.001 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.988 5.699 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -10.179 6.871 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -10.459 7.526 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 147 -11.035 4.802 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -12.629 4.341 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -10.970 4.543 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -12.151 5.863 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.369 5.553 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.932 7.109 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.252 6.658 -4.388 1.00 0.00 H new ATOM 961 N PRO A 148 -6.866 7.064 -3.932 1.00 0.00 N ATOM 962 CA PRO A 148 -5.938 8.183 -4.195 1.00 0.00 C ATOM 963 C PRO A 148 -6.273 8.936 -5.502 1.00 0.00 C ATOM 964 O PRO A 148 -5.391 9.269 -6.289 1.00 0.00 O ATOM 965 CB PRO A 148 -4.577 7.480 -4.242 1.00 0.00 C ATOM 966 CG PRO A 148 -4.871 6.141 -4.911 1.00 0.00 C ATOM 967 CD PRO A 148 -6.289 5.795 -4.398 1.00 0.00 C ATOM 0 HA PRO A 148 -5.984 8.969 -3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -3.849 8.058 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.164 7.344 -3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.844 6.219 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.143 5.381 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.896 5.357 -5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.245 5.065 -3.590 1.00 0.00 H new ATOM 968 N LEU A 149 -7.560 9.202 -5.728 1.00 0.00 N ATOM 969 CA LEU A 149 -8.057 9.781 -6.993 1.00 0.00 C ATOM 970 C LEU A 149 -8.955 11.028 -6.809 1.00 0.00 C ATOM 971 O LEU A 149 -9.293 11.357 -5.671 1.00 0.00 O ATOM 972 CB LEU A 149 -8.798 8.692 -7.790 1.00 0.00 C ATOM 973 CG LEU A 149 -7.827 7.627 -8.315 1.00 0.00 C ATOM 974 CD1 LEU A 149 -8.593 6.393 -8.774 1.00 0.00 C ATOM 975 CD2 LEU A 149 -6.953 8.147 -9.459 1.00 0.00 C ATOM 0 H LEU A 149 -8.294 9.025 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 149 -7.185 10.134 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -9.549 8.221 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -9.328 9.148 -8.626 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.166 7.365 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -7.891 5.646 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -9.154 5.980 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -9.283 6.669 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.284 7.355 -9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -7.587 8.461 -10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.365 8.996 -9.110 1.00 0.00 H new ATOM 976 N PRO A 150 -9.202 11.810 -7.879 1.00 0.00 N ATOM 977 CA PRO A 150 -10.226 12.884 -7.869 1.00 0.00 C ATOM 978 C PRO A 150 -11.636 12.363 -7.555 1.00 0.00 C ATOM 979 O PRO A 150 -12.365 11.843 -8.408 1.00 0.00 O ATOM 980 CB PRO A 150 -10.135 13.536 -9.242 1.00 0.00 C ATOM 981 CG PRO A 150 -8.657 13.407 -9.563 1.00 0.00 C ATOM 982 CD PRO A 150 -8.292 12.025 -9.017 1.00 0.00 C ATOM 0 HA PRO A 150 -10.035 13.603 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -10.757 13.025 -9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -10.457 14.577 -9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.472 13.477 -10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -8.073 14.194 -9.086 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -8.422 11.254 -9.777 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -7.250 11.989 -8.701 1.00 0.00 H new ATOM 983 N VAL A 151 -11.902 12.455 -6.268 1.00 0.00 N ATOM 984 CA VAL A 151 -13.167 12.118 -5.584 1.00 0.00 C ATOM 985 C VAL A 151 -13.118 12.773 -4.199 1.00 0.00 C ATOM 986 O VAL A 151 -12.047 12.943 -3.612 1.00 0.00 O ATOM 987 CB VAL A 151 -13.354 10.580 -5.503 1.00 0.00 C ATOM 988 CG1 VAL A 151 -12.293 9.853 -4.667 1.00 0.00 C ATOM 989 CG2 VAL A 151 -14.765 10.211 -5.028 1.00 0.00 C ATOM 0 H VAL A 151 -11.198 12.790 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 151 -14.028 12.495 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 151 -13.217 10.227 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -12.502 8.783 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -11.307 10.030 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -12.315 10.229 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -14.862 9.126 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -14.937 10.632 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -15.500 10.612 -5.726 1.00 0.00 H new ATOM 990 N SER A 152 -14.286 13.187 -3.729 1.00 0.00 N ATOM 991 CA SER A 152 -14.471 13.838 -2.410 1.00 0.00 C ATOM 992 C SER A 152 -13.954 12.947 -1.268 1.00 0.00 C ATOM 993 O SER A 152 -13.163 13.369 -0.440 1.00 0.00 O ATOM 994 CB SER A 152 -15.958 14.093 -2.173 1.00 0.00 C ATOM 995 OG SER A 152 -16.561 14.532 -3.395 1.00 0.00 O ATOM 0 H SER A 152 -15.156 13.085 -4.252 1.00 0.00 H new ATOM 0 HA SER A 152 -13.909 14.772 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 152 -16.444 13.183 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 152 -16.091 14.847 -1.397 1.00 0.00 H new ATOM 0 HG SER A 152 -17.516 14.695 -3.248 1.00 0.00 H new ATOM 996 N SER A 153 -14.363 11.671 -1.320 1.00 0.00 N ATOM 997 CA SER A 153 -13.956 10.636 -0.359 1.00 0.00 C ATOM 998 C SER A 153 -12.575 10.061 -0.711 1.00 0.00 C ATOM 999 O SER A 153 -12.412 8.928 -1.176 1.00 0.00 O ATOM 1000 CB SER A 153 -15.046 9.554 -0.333 1.00 0.00 C ATOM 1001 OG SER A 153 -15.380 9.178 -1.671 1.00 0.00 O ATOM 0 H SER A 153 -14.995 11.324 -2.042 1.00 0.00 H new ATOM 0 HA SER A 153 -13.855 11.067 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 153 -14.696 8.684 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 153 -15.931 9.927 0.182 1.00 0.00 H new ATOM 0 HG SER A 153 -14.566 8.917 -2.150 1.00 0.00 H new ATOM 1002 N ASP A 154 -11.593 10.943 -0.555 1.00 0.00 N ATOM 1003 CA ASP A 154 -10.175 10.622 -0.818 1.00 0.00 C ATOM 1004 C ASP A 154 -9.289 10.763 0.430 1.00 0.00 C ATOM 1005 O ASP A 154 -9.069 11.912 0.863 1.00 0.00 O ATOM 1006 CB ASP A 154 -9.679 11.496 -1.968 1.00 0.00 C ATOM 1007 CG ASP A 154 -8.780 10.662 -2.875 1.00 0.00 C ATOM 1008 OD1 ASP A 154 -9.321 9.728 -3.517 1.00 0.00 O ATOM 1009 OD2 ASP A 154 -7.565 10.958 -2.900 1.00 0.00 O ATOM 1010 OXT ASP A 154 -8.932 9.695 0.983 1.00 0.00 O ATOM 0 H ASP A 154 -11.747 11.902 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 154 -10.105 9.572 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -10.524 11.889 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -9.130 12.353 -1.579 1.00 0.00 H new TER 1011 ASP A 154