USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 966 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 109 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 113 MET CE :methyl -149:sc= -3.74 (180deg=-5.59!) USER MOD Set 2.1: A 102 TYR OH : rot -78:sc= 0.83! USER MOD Set 2.2: A 106 TYR OH : rot 33:sc= -1.75 USER MOD Set 3.1: A 72 ASN : amide:sc= -0.924! C(o=0.21!,f=-9.3!) USER MOD Set 3.2: A 82 LYS NZ :NH3+ 166:sc= 1.13 (180deg=0) USER MOD Set 4.1: A 64 HIS : no HD1:sc= -0.225 K(o=-0.38,f=-2.3) USER MOD Set 4.2: A 68 GLN : amide:sc= -0.155 K(o=-0.38,f=-2.9!) USER MOD Set 5.1: A 23 TYR OH : rot 55:sc= 0.302 USER MOD Set 5.2: A 46 HIS : no HD1:sc= -1.53 K(o=-1.2,f=-1.8!) USER MOD Set 6.1: A 30 ASN :FLIP amide:sc= -0.621 F(o=-2.8,f=-0.62) USER MOD Set 6.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 27 ASN : amide:sc= -0.308 K(o=-0.61,f=-5.8) USER MOD Set 7.2: A 29 HIS :FLIP no HE2:sc= -0.303 F(o=-2.2,f=-0.61) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0051 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 13:sc= 0.0161 USER MOD Single : A 6 SER OG : rot 180:sc=-0.000162 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -172:sc= 0.141 USER MOD Single : A 17 GLN : amide:sc= 0.808 K(o=0.81,f=-1.2) USER MOD Single : A 18 MET CE :methyl 132:sc= -0.0286 (180deg=-1.41!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 25 ASN : amide:sc= -1.4 K(o=-1.4,f=-12!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -106:sc= -0.0939 USER MOD Single : A 42 ASN : amide:sc= -4.34! C(o=-4.3!,f=-5.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -2.35 F(o=-3.1!,f=-2.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.128 K(o=-0.13,f=-3.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.1 K(o=-2.1,f=-5.6!) USER MOD Single : A 69 ASN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -1.13! F(o=-2.4,f=-1.1!) USER MOD Single : A 93 GLN : amide:sc=-0.000215 K(o=-0.00022,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 151:sc= 0.0661 USER MOD Single : A 101 THR OG1 : rot 88:sc= 0.154 USER MOD Single : A 105 THR OG1 : rot -88:sc= 1.07 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= -0.076 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.938 4.385 -15.652 1.00 0.00 N ATOM 2 CA GLY A 1 12.786 5.494 -14.729 1.00 0.00 C ATOM 3 C GLY A 1 13.677 6.668 -15.082 1.00 0.00 C ATOM 4 O GLY A 1 14.840 6.486 -15.444 1.00 0.00 O ATOM 0 H1 GLY A 1 12.921 3.489 -15.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.158 4.396 -16.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.844 4.474 -16.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.746 5.820 -14.725 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.018 5.156 -13.719 1.00 0.00 H new ATOM 8 N SER A 2 13.132 7.876 -14.977 1.00 0.00 N ATOM 9 CA SER A 2 13.884 9.084 -15.293 1.00 0.00 C ATOM 10 C SER A 2 13.998 9.989 -14.070 1.00 0.00 C ATOM 11 O SER A 2 14.577 11.072 -14.137 1.00 0.00 O ATOM 12 CB SER A 2 13.215 9.841 -16.441 1.00 0.00 C ATOM 13 OG SER A 2 11.964 10.372 -16.041 1.00 0.00 O ATOM 0 H SER A 2 12.172 8.044 -14.675 1.00 0.00 H new ATOM 0 HA SER A 2 14.887 8.788 -15.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.866 10.648 -16.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.075 9.171 -17.289 1.00 0.00 H new ATOM 0 HG SER A 2 11.557 10.853 -16.792 1.00 0.00 H new ATOM 19 N SER A 3 13.440 9.535 -12.952 1.00 0.00 N ATOM 20 CA SER A 3 13.473 10.304 -11.714 1.00 0.00 C ATOM 21 C SER A 3 14.291 9.581 -10.648 1.00 0.00 C ATOM 22 O SER A 3 13.739 8.955 -9.745 1.00 0.00 O ATOM 23 CB SER A 3 12.052 10.552 -11.203 1.00 0.00 C ATOM 24 OG SER A 3 11.346 11.428 -12.063 1.00 0.00 O ATOM 0 H SER A 3 12.960 8.638 -12.879 1.00 0.00 H new ATOM 0 HA SER A 3 13.947 11.263 -11.923 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.519 9.604 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.092 10.976 -10.200 1.00 0.00 H new ATOM 0 HG SER A 3 10.441 11.569 -11.715 1.00 0.00 H new ATOM 30 N GLY A 4 15.613 9.675 -10.761 1.00 0.00 N ATOM 31 CA GLY A 4 16.486 9.026 -9.801 1.00 0.00 C ATOM 32 C GLY A 4 16.861 9.937 -8.649 1.00 0.00 C ATOM 33 O GLY A 4 17.322 11.059 -8.862 1.00 0.00 O ATOM 0 H GLY A 4 16.094 10.189 -11.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.993 8.136 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.392 8.693 -10.306 1.00 0.00 H new ATOM 37 N SER A 5 16.665 9.455 -7.427 1.00 0.00 N ATOM 38 CA SER A 5 16.981 10.237 -6.237 1.00 0.00 C ATOM 39 C SER A 5 17.591 9.353 -5.152 1.00 0.00 C ATOM 40 O SER A 5 17.194 8.201 -4.979 1.00 0.00 O ATOM 41 CB SER A 5 15.721 10.923 -5.703 1.00 0.00 C ATOM 42 OG SER A 5 15.411 12.079 -6.461 1.00 0.00 O ATOM 0 H SER A 5 16.289 8.527 -7.234 1.00 0.00 H new ATOM 0 HA SER A 5 17.711 10.997 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.883 10.227 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.867 11.197 -4.658 1.00 0.00 H new ATOM 0 HG SER A 5 15.937 12.079 -7.288 1.00 0.00 H new ATOM 48 N SER A 6 18.557 9.903 -4.425 1.00 0.00 N ATOM 49 CA SER A 6 19.226 9.165 -3.359 1.00 0.00 C ATOM 50 C SER A 6 18.290 8.955 -2.174 1.00 0.00 C ATOM 51 O SER A 6 17.353 9.724 -1.965 1.00 0.00 O ATOM 52 CB SER A 6 20.483 9.909 -2.906 1.00 0.00 C ATOM 53 OG SER A 6 21.140 9.211 -1.862 1.00 0.00 O ATOM 0 H SER A 6 18.895 10.857 -4.554 1.00 0.00 H new ATOM 0 HA SER A 6 19.512 8.189 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.162 10.030 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.215 10.909 -2.566 1.00 0.00 H new ATOM 0 HG SER A 6 21.941 9.706 -1.591 1.00 0.00 H new ATOM 59 N GLY A 7 18.551 7.906 -1.399 1.00 0.00 N ATOM 60 CA GLY A 7 17.723 7.612 -0.244 1.00 0.00 C ATOM 61 C GLY A 7 16.786 6.446 -0.483 1.00 0.00 C ATOM 62 O GLY A 7 16.241 6.294 -1.577 1.00 0.00 O ATOM 0 H GLY A 7 19.321 7.255 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.363 7.391 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.140 8.496 0.015 1.00 0.00 H new ATOM 66 N ALA A 8 16.598 5.619 0.540 1.00 0.00 N ATOM 67 CA ALA A 8 15.719 4.461 0.435 1.00 0.00 C ATOM 68 C ALA A 8 14.253 4.880 0.460 1.00 0.00 C ATOM 69 O ALA A 8 13.441 4.382 -0.320 1.00 0.00 O ATOM 70 CB ALA A 8 16.008 3.477 1.559 1.00 0.00 C ATOM 0 H ALA A 8 17.043 5.730 1.451 1.00 0.00 H new ATOM 0 HA ALA A 8 15.913 3.973 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.345 2.617 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.044 3.145 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.843 3.964 2.520 1.00 0.00 H new ATOM 76 N LYS A 9 13.920 5.797 1.362 1.00 0.00 N ATOM 77 CA LYS A 9 12.551 6.285 1.488 1.00 0.00 C ATOM 78 C LYS A 9 11.980 6.662 0.126 1.00 0.00 C ATOM 79 O LYS A 9 10.854 6.292 -0.210 1.00 0.00 O ATOM 80 CB LYS A 9 12.503 7.492 2.426 1.00 0.00 C ATOM 81 CG LYS A 9 11.149 8.180 2.463 1.00 0.00 C ATOM 82 CD LYS A 9 11.243 9.563 3.087 1.00 0.00 C ATOM 83 CE LYS A 9 10.014 10.402 2.772 1.00 0.00 C ATOM 84 NZ LYS A 9 9.772 11.444 3.807 1.00 0.00 N ATOM 0 H LYS A 9 14.579 6.218 2.017 1.00 0.00 H new ATOM 0 HA LYS A 9 11.943 5.483 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.765 7.169 3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.259 8.213 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.754 8.263 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.446 7.571 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.353 9.469 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.135 10.070 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.139 10.879 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.141 9.754 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.926 11.994 3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.627 10.989 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.594 12.079 3.859 1.00 0.00 H new ATOM 98 N ASP A 10 12.762 7.398 -0.656 1.00 0.00 N ATOM 99 CA ASP A 10 12.334 7.824 -1.983 1.00 0.00 C ATOM 100 C ASP A 10 12.113 6.620 -2.894 1.00 0.00 C ATOM 101 O ASP A 10 11.078 6.508 -3.550 1.00 0.00 O ATOM 102 CB ASP A 10 13.372 8.763 -2.600 1.00 0.00 C ATOM 103 CG ASP A 10 13.294 10.165 -2.030 1.00 0.00 C ATOM 104 OD1 ASP A 10 12.388 10.921 -2.437 1.00 0.00 O ATOM 105 OD2 ASP A 10 14.142 10.508 -1.178 1.00 0.00 O ATOM 0 H ASP A 10 13.696 7.712 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 10 11.389 8.358 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.370 8.359 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.225 8.804 -3.679 1.00 0.00 H new ATOM 110 N ALA A 11 13.094 5.723 -2.929 1.00 0.00 N ATOM 111 CA ALA A 11 13.006 4.529 -3.759 1.00 0.00 C ATOM 112 C ALA A 11 11.607 3.925 -3.706 1.00 0.00 C ATOM 113 O ALA A 11 11.038 3.560 -4.736 1.00 0.00 O ATOM 114 CB ALA A 11 14.042 3.504 -3.321 1.00 0.00 C ATOM 0 H ALA A 11 13.958 5.801 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 11 13.210 4.818 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.965 2.617 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.040 3.931 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.864 3.228 -2.282 1.00 0.00 H new ATOM 120 N LEU A 12 11.057 3.822 -2.501 1.00 0.00 N ATOM 121 CA LEU A 12 9.724 3.261 -2.314 1.00 0.00 C ATOM 122 C LEU A 12 8.665 4.148 -2.960 1.00 0.00 C ATOM 123 O LEU A 12 7.948 3.719 -3.865 1.00 0.00 O ATOM 124 CB LEU A 12 9.424 3.093 -0.823 1.00 0.00 C ATOM 125 CG LEU A 12 8.119 2.376 -0.478 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.118 0.965 -1.046 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.910 2.346 1.030 1.00 0.00 C ATOM 0 H LEU A 12 11.514 4.120 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 12 9.697 2.284 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.248 2.545 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.405 4.081 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 12 7.294 2.927 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.181 0.470 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.221 1.009 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.952 0.403 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.976 1.832 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.739 1.819 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.865 3.366 1.411 1.00 0.00 H new ATOM 139 N LEU A 13 8.572 5.388 -2.492 1.00 0.00 N ATOM 140 CA LEU A 13 7.601 6.337 -3.025 1.00 0.00 C ATOM 141 C LEU A 13 7.442 6.164 -4.531 1.00 0.00 C ATOM 142 O LEU A 13 6.330 6.213 -5.059 1.00 0.00 O ATOM 143 CB LEU A 13 8.033 7.770 -2.708 1.00 0.00 C ATOM 144 CG LEU A 13 7.318 8.874 -3.487 1.00 0.00 C ATOM 145 CD1 LEU A 13 5.876 9.007 -3.024 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.054 10.197 -3.333 1.00 0.00 C ATOM 0 H LEU A 13 9.158 5.760 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 13 6.639 6.140 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.881 7.947 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.103 7.855 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 13 7.315 8.603 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.384 9.798 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.353 8.065 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.856 9.254 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.531 10.972 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.089 10.473 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.070 10.095 -3.715 1.00 0.00 H new ATOM 158 N LEU A 14 8.560 5.958 -5.219 1.00 0.00 N ATOM 159 CA LEU A 14 8.545 5.775 -6.667 1.00 0.00 C ATOM 160 C LEU A 14 7.809 4.493 -7.046 1.00 0.00 C ATOM 161 O LEU A 14 6.997 4.482 -7.972 1.00 0.00 O ATOM 162 CB LEU A 14 9.974 5.736 -7.211 1.00 0.00 C ATOM 163 CG LEU A 14 10.120 5.355 -8.685 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.584 6.463 -9.578 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.576 5.059 -9.017 1.00 0.00 C ATOM 0 H LEU A 14 9.488 5.913 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 14 8.017 6.620 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.425 6.717 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.550 5.028 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 14 9.535 4.454 -8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.696 6.174 -10.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.529 6.629 -9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.142 7.381 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.662 4.790 -10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.182 5.943 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.929 4.232 -8.401 1.00 0.00 H new ATOM 177 N TRP A 15 8.097 3.417 -6.324 1.00 0.00 N ATOM 178 CA TRP A 15 7.461 2.130 -6.583 1.00 0.00 C ATOM 179 C TRP A 15 5.945 2.273 -6.633 1.00 0.00 C ATOM 180 O TRP A 15 5.312 1.925 -7.632 1.00 0.00 O ATOM 181 CB TRP A 15 7.855 1.118 -5.506 1.00 0.00 C ATOM 182 CG TRP A 15 7.437 -0.285 -5.829 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.989 -1.108 -6.768 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.380 -1.028 -5.214 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.338 -2.318 -6.775 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.346 -2.294 -5.830 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.458 -0.747 -4.201 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.428 -3.275 -5.466 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.547 -1.721 -3.842 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.536 -2.973 -4.472 1.00 0.00 C ATOM 0 H TRP A 15 8.767 3.409 -5.555 1.00 0.00 H new ATOM 0 HA TRP A 15 7.805 1.771 -7.553 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.936 1.145 -5.370 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.407 1.414 -4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.816 -0.846 -7.411 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.557 -3.106 -7.384 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.458 0.214 -3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.420 -4.240 -5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.830 -1.514 -3.061 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.811 -3.713 -4.168 1.00 0.00 H new ATOM 201 N CYS A 16 5.366 2.786 -5.553 1.00 0.00 N ATOM 202 CA CYS A 16 3.922 2.974 -5.476 1.00 0.00 C ATOM 203 C CYS A 16 3.423 3.835 -6.631 1.00 0.00 C ATOM 204 O CYS A 16 2.367 3.568 -7.205 1.00 0.00 O ATOM 205 CB CYS A 16 3.542 3.619 -4.141 1.00 0.00 C ATOM 206 SG CYS A 16 4.346 2.872 -2.705 1.00 0.00 S ATOM 0 H CYS A 16 5.874 3.079 -4.719 1.00 0.00 H new ATOM 0 HA CYS A 16 3.448 1.995 -5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.796 4.678 -4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.461 3.555 -4.013 1.00 0.00 H new ATOM 0 HG CYS A 16 3.832 3.362 -1.616 1.00 0.00 H new ATOM 212 N GLN A 17 4.188 4.869 -6.966 1.00 0.00 N ATOM 213 CA GLN A 17 3.822 5.770 -8.052 1.00 0.00 C ATOM 214 C GLN A 17 3.715 5.016 -9.372 1.00 0.00 C ATOM 215 O GLN A 17 2.794 5.246 -10.157 1.00 0.00 O ATOM 216 CB GLN A 17 4.849 6.897 -8.176 1.00 0.00 C ATOM 217 CG GLN A 17 4.532 8.108 -7.314 1.00 0.00 C ATOM 218 CD GLN A 17 5.265 9.355 -7.766 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.111 9.302 -8.659 1.00 0.00 O ATOM 220 NE2 GLN A 17 4.945 10.486 -7.149 1.00 0.00 N ATOM 0 H GLN A 17 5.065 5.103 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 17 2.848 6.200 -7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.832 6.513 -7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.909 7.209 -9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.458 8.294 -7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.796 7.891 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.238 10.484 -6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.406 11.357 -7.410 1.00 0.00 H new ATOM 229 N MET A 18 4.662 4.115 -9.613 1.00 0.00 N ATOM 230 CA MET A 18 4.673 3.326 -10.840 1.00 0.00 C ATOM 231 C MET A 18 3.468 2.392 -10.896 1.00 0.00 C ATOM 232 O MET A 18 2.756 2.340 -11.898 1.00 0.00 O ATOM 233 CB MET A 18 5.966 2.516 -10.938 1.00 0.00 C ATOM 234 CG MET A 18 7.190 3.362 -11.252 1.00 0.00 C ATOM 235 SD MET A 18 8.548 2.392 -11.934 1.00 0.00 S ATOM 236 CE MET A 18 9.451 1.977 -10.443 1.00 0.00 C ATOM 0 H MET A 18 5.432 3.913 -8.975 1.00 0.00 H new ATOM 0 HA MET A 18 4.618 4.012 -11.685 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.129 1.991 -9.997 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.852 1.756 -11.711 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.915 4.143 -11.961 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.525 3.860 -10.343 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.679 0.911 -10.440 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.380 2.547 -10.410 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.845 2.221 -9.571 1.00 0.00 H new ATOM 246 N LYS A 19 3.247 1.654 -9.813 1.00 0.00 N ATOM 247 CA LYS A 19 2.129 0.722 -9.738 1.00 0.00 C ATOM 248 C LYS A 19 0.797 1.464 -9.801 1.00 0.00 C ATOM 249 O LYS A 19 -0.020 1.219 -10.691 1.00 0.00 O ATOM 250 CB LYS A 19 2.206 -0.098 -8.447 1.00 0.00 C ATOM 251 CG LYS A 19 3.559 -0.749 -8.222 1.00 0.00 C ATOM 252 CD LYS A 19 3.976 -1.596 -9.412 1.00 0.00 C ATOM 253 CE LYS A 19 4.969 -2.675 -9.009 1.00 0.00 C ATOM 254 NZ LYS A 19 4.863 -3.879 -9.878 1.00 0.00 N ATOM 0 H LYS A 19 3.828 1.684 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 19 2.192 0.049 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.978 0.550 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.439 -0.872 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.309 0.021 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.520 -1.371 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.095 -2.059 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.421 -0.958 -10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.982 -2.275 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.795 -2.960 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.556 -4.591 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.904 -4.276 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.054 -3.613 -10.865 1.00 0.00 H new ATOM 268 N THR A 20 0.584 2.371 -8.854 1.00 0.00 N ATOM 269 CA THR A 20 -0.649 3.149 -8.803 1.00 0.00 C ATOM 270 C THR A 20 -0.856 3.935 -10.093 1.00 0.00 C ATOM 271 O THR A 20 -1.968 4.369 -10.393 1.00 0.00 O ATOM 272 CB THR A 20 -0.647 4.126 -7.613 1.00 0.00 C ATOM 273 OG1 THR A 20 0.463 5.024 -7.718 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.573 3.373 -6.294 1.00 0.00 C ATOM 0 H THR A 20 1.249 2.586 -8.111 1.00 0.00 H new ATOM 0 HA THR A 20 -1.467 2.439 -8.679 1.00 0.00 H new ATOM 0 HB THR A 20 -1.577 4.694 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.231 4.653 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.573 4.085 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.435 2.712 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.342 2.782 -6.263 1.00 0.00 H new ATOM 282 N ALA A 21 0.221 4.114 -10.850 1.00 0.00 N ATOM 283 CA ALA A 21 0.156 4.847 -12.109 1.00 0.00 C ATOM 284 C ALA A 21 -0.984 4.335 -12.984 1.00 0.00 C ATOM 285 O ALA A 21 -1.628 5.105 -13.695 1.00 0.00 O ATOM 286 CB ALA A 21 1.481 4.741 -12.849 1.00 0.00 C ATOM 0 H ALA A 21 1.149 3.762 -10.614 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.038 5.895 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.419 5.293 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.276 5.161 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.698 3.693 -13.058 1.00 0.00 H new ATOM 292 N GLY A 22 -1.227 3.029 -12.927 1.00 0.00 N ATOM 293 CA GLY A 22 -2.288 2.437 -13.719 1.00 0.00 C ATOM 294 C GLY A 22 -3.614 3.150 -13.538 1.00 0.00 C ATOM 295 O GLY A 22 -4.335 3.389 -14.506 1.00 0.00 O ATOM 0 H GLY A 22 -0.708 2.371 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.007 2.460 -14.772 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.402 1.389 -13.443 1.00 0.00 H new ATOM 299 N TYR A 23 -3.936 3.488 -12.294 1.00 0.00 N ATOM 300 CA TYR A 23 -5.187 4.175 -11.989 1.00 0.00 C ATOM 301 C TYR A 23 -4.970 5.681 -11.884 1.00 0.00 C ATOM 302 O TYR A 23 -4.059 6.157 -11.206 1.00 0.00 O ATOM 303 CB TYR A 23 -5.779 3.641 -10.683 1.00 0.00 C ATOM 304 CG TYR A 23 -5.439 2.193 -10.411 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.190 1.832 -9.923 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.370 1.187 -10.641 1.00 0.00 C ATOM 307 CE1 TYR A 23 -3.875 0.510 -9.673 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.064 -0.138 -10.393 1.00 0.00 C ATOM 309 CZ TYR A 23 -4.815 -0.471 -9.910 1.00 0.00 C ATOM 310 OH TYR A 23 -4.506 -1.789 -9.662 1.00 0.00 O ATOM 0 H TYR A 23 -3.350 3.298 -11.481 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.886 3.984 -12.803 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.420 4.252 -9.855 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.863 3.751 -10.713 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.452 2.598 -9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.348 1.445 -11.020 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.899 0.247 -9.294 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.798 -0.908 -10.576 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.196 -1.884 -8.737 1.00 0.00 H new ATOM 320 N PRO A 24 -5.826 6.450 -12.571 1.00 0.00 N ATOM 321 CA PRO A 24 -5.751 7.914 -12.572 1.00 0.00 C ATOM 322 C PRO A 24 -6.140 8.515 -11.226 1.00 0.00 C ATOM 323 O PRO A 24 -5.411 9.333 -10.667 1.00 0.00 O ATOM 324 CB PRO A 24 -6.758 8.321 -13.650 1.00 0.00 C ATOM 325 CG PRO A 24 -7.727 7.191 -13.709 1.00 0.00 C ATOM 326 CD PRO A 24 -6.935 5.950 -13.402 1.00 0.00 C ATOM 0 HA PRO A 24 -4.738 8.270 -12.760 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.256 9.256 -13.394 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.268 8.473 -14.612 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.532 7.329 -12.987 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.190 7.125 -14.694 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.535 5.212 -12.870 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.572 5.470 -14.311 1.00 0.00 H new ATOM 334 N ASN A 25 -7.292 8.102 -10.709 1.00 0.00 N ATOM 335 CA ASN A 25 -7.778 8.601 -9.427 1.00 0.00 C ATOM 336 C ASN A 25 -6.694 8.497 -8.358 1.00 0.00 C ATOM 337 O ASN A 25 -6.463 9.440 -7.601 1.00 0.00 O ATOM 338 CB ASN A 25 -9.017 7.818 -8.989 1.00 0.00 C ATOM 339 CG ASN A 25 -8.985 6.375 -9.452 1.00 0.00 C ATOM 340 OD1 ASN A 25 -7.918 5.772 -9.565 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.157 5.814 -9.725 1.00 0.00 N ATOM 0 H ASN A 25 -7.907 7.423 -11.158 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.044 9.651 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.095 7.846 -7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.909 8.304 -9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.197 4.846 -10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.017 6.352 -9.617 1.00 0.00 H new ATOM 348 N VAL A 26 -6.032 7.346 -8.303 1.00 0.00 N ATOM 349 CA VAL A 26 -4.971 7.120 -7.328 1.00 0.00 C ATOM 350 C VAL A 26 -3.701 7.867 -7.716 1.00 0.00 C ATOM 351 O VAL A 26 -3.342 7.936 -8.891 1.00 0.00 O ATOM 352 CB VAL A 26 -4.650 5.621 -7.187 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.799 5.371 -5.951 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.932 4.803 -7.137 1.00 0.00 C ATOM 0 H VAL A 26 -6.211 6.555 -8.922 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.333 7.498 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.080 5.306 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.582 4.306 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.865 5.926 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.340 5.701 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.685 3.746 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.532 5.118 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.499 4.958 -8.055 1.00 0.00 H new ATOM 364 N ASN A 27 -3.022 8.426 -6.719 1.00 0.00 N ATOM 365 CA ASN A 27 -1.789 9.170 -6.956 1.00 0.00 C ATOM 366 C ASN A 27 -0.934 9.220 -5.694 1.00 0.00 C ATOM 367 O ASN A 27 -1.341 9.779 -4.676 1.00 0.00 O ATOM 368 CB ASN A 27 -2.108 10.590 -7.426 1.00 0.00 C ATOM 369 CG ASN A 27 -0.976 11.201 -8.228 1.00 0.00 C ATOM 370 OD1 ASN A 27 0.145 10.694 -8.226 1.00 0.00 O ATOM 371 ND2 ASN A 27 -1.265 12.298 -8.919 1.00 0.00 N ATOM 0 H ASN A 27 -3.304 8.378 -5.740 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.227 8.655 -7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.013 10.574 -8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.317 11.218 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.543 12.754 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.209 12.684 -8.892 1.00 0.00 H new ATOM 378 N VAL A 28 0.256 8.632 -5.768 1.00 0.00 N ATOM 379 CA VAL A 28 1.171 8.610 -4.633 1.00 0.00 C ATOM 380 C VAL A 28 2.234 9.695 -4.764 1.00 0.00 C ATOM 381 O VAL A 28 3.331 9.447 -5.267 1.00 0.00 O ATOM 382 CB VAL A 28 1.864 7.241 -4.496 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.737 7.206 -3.252 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.832 6.123 -4.466 1.00 0.00 C ATOM 0 H VAL A 28 0.609 8.164 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 28 0.573 8.796 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 28 2.506 7.089 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.218 6.231 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.499 7.982 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.121 7.379 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.339 5.163 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.163 6.268 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.254 6.136 -5.390 1.00 0.00 H new ATOM 394 N HIS A 29 1.902 10.898 -4.307 1.00 0.00 N ATOM 395 CA HIS A 29 2.830 12.022 -4.371 1.00 0.00 C ATOM 396 C HIS A 29 3.522 12.232 -3.028 1.00 0.00 C ATOM 397 O HIS A 29 4.580 12.857 -2.956 1.00 0.00 O ATOM 398 CB HIS A 29 2.092 13.297 -4.783 1.00 0.00 C ATOM 399 CG HIS A 29 1.982 13.472 -6.266 1.00 0.00 C ATOM 400 ND1 HIS A 29 1.976 12.561 -7.268 1.00 0.00 N flip ATOM 401 CD2 HIS A 29 1.862 14.705 -6.871 1.00 0.00 C flip ATOM 402 CE1 HIS A 29 1.852 13.254 -8.447 1.00 0.00 C flip ATOM 403 NE2 HIS A 29 1.785 14.546 -8.180 1.00 0.00 N flip ATOM 0 H HIS A 29 0.999 11.120 -3.889 1.00 0.00 H new ATOM 0 HA HIS A 29 3.589 11.793 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.091 13.283 -4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.609 14.159 -4.361 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.050 11.549 -7.166 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.835 15.653 -6.355 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.815 12.814 -9.433 1.00 0.00 H new ATOM 412 N ASN A 30 2.918 11.708 -1.967 1.00 0.00 N ATOM 413 CA ASN A 30 3.477 11.839 -0.627 1.00 0.00 C ATOM 414 C ASN A 30 3.189 10.595 0.208 1.00 0.00 C ATOM 415 O ASN A 30 2.615 9.623 -0.285 1.00 0.00 O ATOM 416 CB ASN A 30 2.903 13.076 0.068 1.00 0.00 C ATOM 417 CG ASN A 30 1.497 13.401 -0.398 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.590 12.442 -0.254 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.230 14.502 -0.881 1.00 0.00 N flip ATOM 0 H ASN A 30 2.041 11.189 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 30 4.557 11.950 -0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.897 12.914 1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.552 13.930 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.959 15.209 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.280 14.707 -1.189 1.00 0.00 H new ATOM 426 N PHE A 31 3.591 10.631 1.473 1.00 0.00 N ATOM 427 CA PHE A 31 3.377 9.507 2.376 1.00 0.00 C ATOM 428 C PHE A 31 2.477 9.909 3.542 1.00 0.00 C ATOM 429 O PHE A 31 2.526 9.308 4.616 1.00 0.00 O ATOM 430 CB PHE A 31 4.715 8.988 2.906 1.00 0.00 C ATOM 431 CG PHE A 31 5.469 8.151 1.913 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.876 7.043 1.328 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.771 8.472 1.562 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.567 6.271 0.415 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.467 7.703 0.649 1.00 0.00 C ATOM 436 CZ PHE A 31 6.864 6.602 0.074 1.00 0.00 C ATOM 0 H PHE A 31 4.067 11.427 1.897 1.00 0.00 H new ATOM 0 HA PHE A 31 2.884 8.713 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.334 9.836 3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.536 8.398 3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.862 6.780 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.247 9.333 2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.094 5.409 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.482 7.963 0.385 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.406 6.001 -0.641 1.00 0.00 H new ATOM 446 N THR A 32 1.656 10.931 3.323 1.00 0.00 N ATOM 447 CA THR A 32 0.746 11.415 4.354 1.00 0.00 C ATOM 448 C THR A 32 -0.663 11.594 3.803 1.00 0.00 C ATOM 449 O THR A 32 -1.583 10.861 4.169 1.00 0.00 O ATOM 450 CB THR A 32 1.229 12.753 4.944 1.00 0.00 C ATOM 451 OG1 THR A 32 1.915 13.512 3.943 1.00 0.00 O ATOM 452 CG2 THR A 32 2.151 12.520 6.131 1.00 0.00 C ATOM 0 H THR A 32 1.602 11.440 2.441 1.00 0.00 H new ATOM 0 HA THR A 32 0.731 10.663 5.143 1.00 0.00 H new ATOM 0 HB THR A 32 0.356 13.309 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.217 14.362 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.479 13.480 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.616 11.969 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.019 11.945 5.810 1.00 0.00 H new ATOM 460 N THR A 33 -0.828 12.575 2.920 1.00 0.00 N ATOM 461 CA THR A 33 -2.127 12.851 2.318 1.00 0.00 C ATOM 462 C THR A 33 -2.335 12.024 1.055 1.00 0.00 C ATOM 463 O THR A 33 -3.054 12.434 0.144 1.00 0.00 O ATOM 464 CB THR A 33 -2.280 14.344 1.973 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.308 14.721 0.990 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.115 15.207 3.214 1.00 0.00 C ATOM 0 H THR A 33 -0.078 13.191 2.606 1.00 0.00 H new ATOM 0 HA THR A 33 -2.882 12.577 3.055 1.00 0.00 H new ATOM 0 HB THR A 33 -3.282 14.501 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.412 15.671 0.775 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.227 16.257 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.874 14.938 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.125 15.046 3.640 1.00 0.00 H new ATOM 474 N SER A 34 -1.701 10.856 1.006 1.00 0.00 N ATOM 475 CA SER A 34 -1.815 9.973 -0.148 1.00 0.00 C ATOM 476 C SER A 34 -2.455 8.644 0.246 1.00 0.00 C ATOM 477 O SER A 34 -2.996 7.930 -0.598 1.00 0.00 O ATOM 478 CB SER A 34 -0.436 9.725 -0.764 1.00 0.00 C ATOM 479 OG SER A 34 -0.417 8.513 -1.499 1.00 0.00 O ATOM 0 H SER A 34 -1.104 10.500 1.752 1.00 0.00 H new ATOM 0 HA SER A 34 -2.453 10.459 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.172 10.555 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.317 9.688 0.024 1.00 0.00 H new ATOM 0 HG SER A 34 0.075 7.832 -0.994 1.00 0.00 H new ATOM 485 N TRP A 35 -2.388 8.322 1.532 1.00 0.00 N ATOM 486 CA TRP A 35 -2.961 7.079 2.038 1.00 0.00 C ATOM 487 C TRP A 35 -4.048 7.361 3.069 1.00 0.00 C ATOM 488 O TRP A 35 -4.553 6.446 3.718 1.00 0.00 O ATOM 489 CB TRP A 35 -1.869 6.205 2.656 1.00 0.00 C ATOM 490 CG TRP A 35 -0.598 6.192 1.862 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.313 7.205 1.756 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.097 5.115 1.063 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.348 6.822 0.939 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.121 5.544 0.501 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.558 3.830 0.768 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.881 4.733 -0.338 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.196 3.025 -0.065 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.405 3.479 -0.609 1.00 0.00 C ATOM 0 H TRP A 35 -1.944 8.903 2.243 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.411 6.547 1.200 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.656 6.561 3.664 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.240 5.185 2.750 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.231 8.165 2.243 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.156 7.396 0.697 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.488 3.471 1.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.812 5.081 -0.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.152 2.030 -0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.973 2.826 -1.255 1.00 0.00 H new ATOM 509 N ARG A 36 -4.403 8.634 3.215 1.00 0.00 N ATOM 510 CA ARG A 36 -5.430 9.036 4.169 1.00 0.00 C ATOM 511 C ARG A 36 -6.784 8.440 3.793 1.00 0.00 C ATOM 512 O ARG A 36 -7.488 7.890 4.641 1.00 0.00 O ATOM 513 CB ARG A 36 -5.531 10.561 4.228 1.00 0.00 C ATOM 514 CG ARG A 36 -6.284 11.073 5.445 1.00 0.00 C ATOM 515 CD ARG A 36 -6.969 12.401 5.157 1.00 0.00 C ATOM 516 NE ARG A 36 -8.181 12.231 4.361 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.091 13.185 4.193 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.924 14.371 4.761 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.168 12.953 3.453 1.00 0.00 N ATOM 0 H ARG A 36 -3.995 9.404 2.685 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.146 8.659 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.526 10.984 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.028 10.919 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.028 10.337 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.592 11.192 6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.219 12.891 6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.278 13.058 4.629 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.338 11.330 3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.096 14.553 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.624 15.102 4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.298 12.042 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.866 13.686 3.325 1.00 0.00 H new ATOM 533 N ASP A 37 -7.140 8.552 2.518 1.00 0.00 N ATOM 534 CA ASP A 37 -8.409 8.024 2.031 1.00 0.00 C ATOM 535 C ASP A 37 -8.438 6.501 2.127 1.00 0.00 C ATOM 536 O ASP A 37 -9.271 5.929 2.828 1.00 0.00 O ATOM 537 CB ASP A 37 -8.645 8.460 0.584 1.00 0.00 C ATOM 538 CG ASP A 37 -7.433 8.229 -0.296 1.00 0.00 C ATOM 539 OD1 ASP A 37 -6.317 8.600 0.123 1.00 0.00 O ATOM 540 OD2 ASP A 37 -7.600 7.676 -1.404 1.00 0.00 O ATOM 0 H ASP A 37 -6.568 9.003 1.804 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.205 8.425 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.495 7.913 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.908 9.518 0.565 1.00 0.00 H new ATOM 545 N GLY A 38 -7.521 5.852 1.416 1.00 0.00 N ATOM 546 CA GLY A 38 -7.459 4.402 1.433 1.00 0.00 C ATOM 547 C GLY A 38 -7.167 3.817 0.066 1.00 0.00 C ATOM 548 O GLY A 38 -6.398 2.862 -0.059 1.00 0.00 O ATOM 0 H GLY A 38 -6.820 6.304 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.687 4.083 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.406 4.005 1.800 1.00 0.00 H new ATOM 552 N LEU A 39 -7.781 4.390 -0.964 1.00 0.00 N ATOM 553 CA LEU A 39 -7.584 3.918 -2.331 1.00 0.00 C ATOM 554 C LEU A 39 -6.145 3.461 -2.546 1.00 0.00 C ATOM 555 O LEU A 39 -5.902 2.372 -3.067 1.00 0.00 O ATOM 556 CB LEU A 39 -7.934 5.024 -3.328 1.00 0.00 C ATOM 557 CG LEU A 39 -9.387 5.504 -3.314 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.532 6.787 -4.119 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.311 4.425 -3.857 1.00 0.00 C ATOM 0 H LEU A 39 -8.419 5.181 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.245 3.067 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.288 5.880 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.699 4.669 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.671 5.711 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.572 7.114 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.899 7.562 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.229 6.606 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.340 4.784 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.028 4.186 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.228 3.531 -3.239 1.00 0.00 H new ATOM 571 N ALA A 40 -5.196 4.299 -2.143 1.00 0.00 N ATOM 572 CA ALA A 40 -3.782 3.978 -2.288 1.00 0.00 C ATOM 573 C ALA A 40 -3.522 2.500 -2.018 1.00 0.00 C ATOM 574 O ALA A 40 -3.009 1.782 -2.877 1.00 0.00 O ATOM 575 CB ALA A 40 -2.946 4.841 -1.354 1.00 0.00 C ATOM 0 H ALA A 40 -5.381 5.205 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.492 4.188 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.892 4.590 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.099 5.893 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.248 4.659 -0.323 1.00 0.00 H new ATOM 581 N PHE A 41 -3.881 2.050 -0.820 1.00 0.00 N ATOM 582 CA PHE A 41 -3.686 0.657 -0.436 1.00 0.00 C ATOM 583 C PHE A 41 -4.572 -0.265 -1.268 1.00 0.00 C ATOM 584 O PHE A 41 -4.188 -1.390 -1.589 1.00 0.00 O ATOM 585 CB PHE A 41 -3.988 0.468 1.052 1.00 0.00 C ATOM 586 CG PHE A 41 -3.030 1.190 1.955 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.676 0.898 1.925 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.483 2.160 2.835 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.790 1.560 2.754 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.602 2.826 3.667 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.254 2.524 3.627 1.00 0.00 C ATOM 0 H PHE A 41 -4.309 2.630 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.644 0.397 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.000 0.817 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.964 -0.596 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.308 0.144 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.536 2.398 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.263 1.324 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.967 3.581 4.347 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.564 3.041 4.278 1.00 0.00 H new ATOM 601 N ASN A 42 -5.760 0.219 -1.614 1.00 0.00 N ATOM 602 CA ASN A 42 -6.703 -0.562 -2.407 1.00 0.00 C ATOM 603 C ASN A 42 -6.318 -0.542 -3.884 1.00 0.00 C ATOM 604 O ASN A 42 -6.963 -1.183 -4.712 1.00 0.00 O ATOM 605 CB ASN A 42 -8.122 -0.019 -2.231 1.00 0.00 C ATOM 606 CG ASN A 42 -8.586 -0.070 -0.788 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.727 -1.147 -0.208 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.825 1.097 -0.202 1.00 0.00 N ATOM 0 H ASN A 42 -6.093 1.148 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.670 -1.593 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.161 1.011 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.808 -0.596 -2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.139 1.126 0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.694 1.965 -0.722 1.00 0.00 H new ATOM 615 N ALA A 43 -5.262 0.200 -4.204 1.00 0.00 N ATOM 616 CA ALA A 43 -4.789 0.301 -5.580 1.00 0.00 C ATOM 617 C ALA A 43 -3.612 -0.636 -5.826 1.00 0.00 C ATOM 618 O ALA A 43 -3.425 -1.134 -6.936 1.00 0.00 O ATOM 619 CB ALA A 43 -4.400 1.737 -5.898 1.00 0.00 C ATOM 0 H ALA A 43 -4.719 0.739 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.601 0.001 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.049 1.799 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.267 2.386 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.606 2.057 -5.224 1.00 0.00 H new ATOM 625 N ILE A 44 -2.822 -0.871 -4.784 1.00 0.00 N ATOM 626 CA ILE A 44 -1.662 -1.749 -4.889 1.00 0.00 C ATOM 627 C ILE A 44 -2.087 -3.208 -5.020 1.00 0.00 C ATOM 628 O ILE A 44 -1.693 -3.899 -5.959 1.00 0.00 O ATOM 629 CB ILE A 44 -0.735 -1.605 -3.668 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.229 -0.166 -3.552 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.433 -2.575 -3.772 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.412 0.144 -2.218 1.00 0.00 C ATOM 0 H ILE A 44 -2.963 -0.467 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.119 -1.449 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.303 -1.845 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.494 0.021 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.063 0.518 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.079 -2.461 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.055 -3.597 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.003 -2.363 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.747 1.181 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.315 -0.011 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.266 -0.515 -2.063 1.00 0.00 H new ATOM 644 N VAL A 45 -2.898 -3.670 -4.073 1.00 0.00 N ATOM 645 CA VAL A 45 -3.380 -5.047 -4.084 1.00 0.00 C ATOM 646 C VAL A 45 -4.059 -5.380 -5.407 1.00 0.00 C ATOM 647 O VAL A 45 -3.593 -6.238 -6.158 1.00 0.00 O ATOM 648 CB VAL A 45 -4.370 -5.303 -2.932 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.930 -6.714 -3.014 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.697 -5.065 -1.589 1.00 0.00 C ATOM 0 H VAL A 45 -3.235 -3.111 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.509 -5.689 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.200 -4.602 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.627 -6.877 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.450 -6.844 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.114 -7.434 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.411 -5.250 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.848 -5.740 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.349 -4.033 -1.534 1.00 0.00 H new ATOM 660 N HIS A 46 -5.163 -4.696 -5.689 1.00 0.00 N ATOM 661 CA HIS A 46 -5.908 -4.919 -6.923 1.00 0.00 C ATOM 662 C HIS A 46 -4.960 -5.206 -8.084 1.00 0.00 C ATOM 663 O HIS A 46 -5.224 -6.075 -8.914 1.00 0.00 O ATOM 664 CB HIS A 46 -6.776 -3.703 -7.247 1.00 0.00 C ATOM 665 CG HIS A 46 -7.780 -3.956 -8.330 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.535 -3.689 -9.659 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.036 -4.454 -8.272 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.598 -4.012 -10.374 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.524 -4.479 -9.556 1.00 0.00 N ATOM 0 H HIS A 46 -5.562 -3.982 -5.079 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.552 -5.787 -6.778 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.299 -3.389 -6.344 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.132 -2.876 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.558 -4.773 -7.382 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.694 -3.911 -11.445 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.450 -4.805 -9.832 1.00 0.00 H new ATOM 678 N LYS A 47 -3.856 -4.469 -8.136 1.00 0.00 N ATOM 679 CA LYS A 47 -2.868 -4.644 -9.194 1.00 0.00 C ATOM 680 C LYS A 47 -2.287 -6.054 -9.168 1.00 0.00 C ATOM 681 O LYS A 47 -2.124 -6.688 -10.212 1.00 0.00 O ATOM 682 CB LYS A 47 -1.744 -3.615 -9.046 1.00 0.00 C ATOM 683 CG LYS A 47 -0.847 -3.515 -10.267 1.00 0.00 C ATOM 684 CD LYS A 47 -1.404 -2.542 -11.291 1.00 0.00 C ATOM 685 CE LYS A 47 -0.359 -2.168 -12.332 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.787 -1.001 -13.153 1.00 0.00 N ATOM 0 H LYS A 47 -3.623 -3.744 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.367 -4.493 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.182 -2.637 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.136 -3.875 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.149 -3.193 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.739 -4.500 -10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.268 -2.987 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.754 -1.642 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.583 -1.936 -11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.173 -3.022 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.048 -0.777 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.672 -1.231 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.940 -0.179 -12.535 1.00 0.00 H new ATOM 700 N HIS A 48 -1.975 -6.540 -7.970 1.00 0.00 N ATOM 701 CA HIS A 48 -1.414 -7.876 -7.810 1.00 0.00 C ATOM 702 C HIS A 48 -2.511 -8.936 -7.861 1.00 0.00 C ATOM 703 O HIS A 48 -2.447 -9.870 -8.661 1.00 0.00 O ATOM 704 CB HIS A 48 -0.654 -7.977 -6.487 1.00 0.00 C ATOM 705 CG HIS A 48 0.279 -6.831 -6.244 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.396 -5.993 -5.187 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 1.237 -6.433 -7.153 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.413 -5.116 -5.473 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.903 -5.402 -6.666 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.101 -6.028 -7.097 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.722 -8.054 -8.633 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.372 -8.031 -5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.085 -8.907 -6.474 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.167 -6.010 -4.336 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.415 -6.893 -8.114 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.757 -4.321 -4.827 1.00 0.00 H new ATOM 718 N ARG A 49 -3.515 -8.784 -7.004 1.00 0.00 N ATOM 719 CA ARG A 49 -4.624 -9.729 -6.951 1.00 0.00 C ATOM 720 C ARG A 49 -5.952 -9.024 -7.217 1.00 0.00 C ATOM 721 O ARG A 49 -6.619 -8.539 -6.303 1.00 0.00 O ATOM 722 CB ARG A 49 -4.667 -10.421 -5.588 1.00 0.00 C ATOM 723 CG ARG A 49 -3.391 -11.175 -5.248 1.00 0.00 C ATOM 724 CD ARG A 49 -3.494 -12.644 -5.627 1.00 0.00 C ATOM 725 NE ARG A 49 -4.285 -12.842 -6.838 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.147 -13.891 -7.643 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.253 -14.830 -7.365 1.00 0.00 N ATOM 728 NH2 ARG A 49 -4.904 -14.001 -8.727 1.00 0.00 N ATOM 0 H ARG A 49 -3.583 -8.015 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.468 -10.478 -7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.854 -9.674 -4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.506 -11.116 -5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.549 -10.721 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.188 -11.087 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.494 -13.051 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.945 -13.200 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.981 -12.137 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.670 -14.748 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.149 -15.634 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.593 -13.280 -8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.797 -14.806 -9.344 1.00 0.00 H new ATOM 742 N PRO A 50 -6.344 -8.965 -8.498 1.00 0.00 N ATOM 743 CA PRO A 50 -7.594 -8.323 -8.914 1.00 0.00 C ATOM 744 C PRO A 50 -8.825 -9.107 -8.471 1.00 0.00 C ATOM 745 O PRO A 50 -9.956 -8.730 -8.777 1.00 0.00 O ATOM 746 CB PRO A 50 -7.493 -8.305 -10.442 1.00 0.00 C ATOM 747 CG PRO A 50 -6.581 -9.435 -10.773 1.00 0.00 C ATOM 748 CD PRO A 50 -5.598 -9.522 -9.639 1.00 0.00 C ATOM 0 HA PRO A 50 -7.711 -7.335 -8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.471 -8.436 -10.905 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.095 -7.356 -10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.137 -10.366 -10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.070 -9.259 -11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.289 -10.551 -9.453 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.694 -8.950 -9.846 1.00 0.00 H new ATOM 756 N ASP A 51 -8.597 -10.197 -7.748 1.00 0.00 N ATOM 757 CA ASP A 51 -9.688 -11.034 -7.262 1.00 0.00 C ATOM 758 C ASP A 51 -10.147 -10.579 -5.880 1.00 0.00 C ATOM 759 O ASP A 51 -11.342 -10.407 -5.637 1.00 0.00 O ATOM 760 CB ASP A 51 -9.251 -12.499 -7.211 1.00 0.00 C ATOM 761 CG ASP A 51 -9.463 -13.213 -8.530 1.00 0.00 C ATOM 762 OD1 ASP A 51 -10.569 -13.754 -8.742 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.524 -13.230 -9.353 1.00 0.00 O ATOM 0 H ASP A 51 -7.667 -10.522 -7.485 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.525 -10.936 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.197 -12.551 -6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.808 -13.014 -6.429 1.00 0.00 H new ATOM 768 N LEU A 52 -9.190 -10.385 -4.979 1.00 0.00 N ATOM 769 CA LEU A 52 -9.496 -9.952 -3.620 1.00 0.00 C ATOM 770 C LEU A 52 -10.595 -8.893 -3.621 1.00 0.00 C ATOM 771 O LEU A 52 -11.666 -9.096 -3.050 1.00 0.00 O ATOM 772 CB LEU A 52 -8.240 -9.397 -2.945 1.00 0.00 C ATOM 773 CG LEU A 52 -7.064 -10.366 -2.817 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.023 -9.818 -1.854 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.548 -11.735 -2.359 1.00 0.00 C ATOM 0 H LEU A 52 -8.196 -10.521 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.850 -10.818 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.906 -8.524 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.510 -9.051 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.600 -10.475 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.194 -10.521 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.654 -8.861 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.474 -9.678 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.698 -12.412 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.037 -11.642 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.256 -12.132 -3.086 1.00 0.00 H new ATOM 787 N LEU A 53 -10.321 -7.766 -4.268 1.00 0.00 N ATOM 788 CA LEU A 53 -11.288 -6.675 -4.346 1.00 0.00 C ATOM 789 C LEU A 53 -11.463 -6.205 -5.787 1.00 0.00 C ATOM 790 O LEU A 53 -10.662 -6.537 -6.660 1.00 0.00 O ATOM 791 CB LEU A 53 -10.841 -5.507 -3.467 1.00 0.00 C ATOM 792 CG LEU A 53 -9.612 -4.734 -3.951 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.458 -3.436 -3.173 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.360 -5.589 -3.822 1.00 0.00 C ATOM 0 H LEU A 53 -9.439 -7.583 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.247 -7.046 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.672 -4.808 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.635 -5.889 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.752 -4.488 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.579 -2.900 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.344 -2.818 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.340 -3.659 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.496 -5.024 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.215 -5.867 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.471 -6.490 -4.425 1.00 0.00 H new ATOM 806 N ASP A 54 -12.514 -5.429 -6.026 1.00 0.00 N ATOM 807 CA ASP A 54 -12.793 -4.910 -7.360 1.00 0.00 C ATOM 808 C ASP A 54 -12.184 -3.523 -7.542 1.00 0.00 C ATOM 809 O ASP A 54 -11.643 -3.204 -8.600 1.00 0.00 O ATOM 810 CB ASP A 54 -14.302 -4.853 -7.603 1.00 0.00 C ATOM 811 CG ASP A 54 -14.910 -6.230 -7.784 1.00 0.00 C ATOM 812 OD1 ASP A 54 -15.024 -6.964 -6.780 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.274 -6.573 -8.929 1.00 0.00 O ATOM 0 H ASP A 54 -13.187 -5.145 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.341 -5.584 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.784 -4.353 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.502 -4.251 -8.489 1.00 0.00 H new ATOM 818 N PHE A 55 -12.277 -2.701 -6.501 1.00 0.00 N ATOM 819 CA PHE A 55 -11.737 -1.347 -6.547 1.00 0.00 C ATOM 820 C PHE A 55 -12.465 -0.506 -7.590 1.00 0.00 C ATOM 821 O PHE A 55 -11.854 0.307 -8.284 1.00 0.00 O ATOM 822 CB PHE A 55 -10.239 -1.382 -6.859 1.00 0.00 C ATOM 823 CG PHE A 55 -9.574 -0.040 -6.759 1.00 0.00 C ATOM 824 CD1 PHE A 55 -9.253 0.501 -5.525 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.270 0.684 -7.902 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.641 1.736 -5.430 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.657 1.920 -7.814 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.343 2.447 -6.577 1.00 0.00 C ATOM 0 H PHE A 55 -12.721 -2.949 -5.617 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.887 -0.890 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.749 -2.073 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.095 -1.776 -7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.484 -0.050 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.515 0.278 -8.872 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.396 2.145 -4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.424 2.473 -8.712 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.865 3.413 -6.506 1.00 0.00 H new ATOM 838 N GLU A 56 -13.775 -0.707 -7.695 1.00 0.00 N ATOM 839 CA GLU A 56 -14.586 0.032 -8.656 1.00 0.00 C ATOM 840 C GLU A 56 -15.661 0.849 -7.943 1.00 0.00 C ATOM 841 O GLU A 56 -15.879 2.017 -8.262 1.00 0.00 O ATOM 842 CB GLU A 56 -15.237 -0.929 -9.653 1.00 0.00 C ATOM 843 CG GLU A 56 -14.237 -1.775 -10.423 1.00 0.00 C ATOM 844 CD GLU A 56 -14.827 -2.366 -11.689 1.00 0.00 C ATOM 845 OE1 GLU A 56 -15.797 -3.145 -11.583 1.00 0.00 O ATOM 846 OE2 GLU A 56 -14.317 -2.049 -12.785 1.00 0.00 O ATOM 0 H GLU A 56 -14.297 -1.375 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.932 0.716 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.921 -1.587 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.836 -0.355 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.372 -1.164 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.879 -2.581 -9.783 1.00 0.00 H new ATOM 853 N SER A 57 -16.330 0.224 -6.980 1.00 0.00 N ATOM 854 CA SER A 57 -17.385 0.890 -6.226 1.00 0.00 C ATOM 855 C SER A 57 -16.798 1.900 -5.244 1.00 0.00 C ATOM 856 O SER A 57 -17.361 2.972 -5.028 1.00 0.00 O ATOM 857 CB SER A 57 -18.230 -0.139 -5.472 1.00 0.00 C ATOM 858 OG SER A 57 -18.687 -1.160 -6.342 1.00 0.00 O ATOM 0 H SER A 57 -16.160 -0.743 -6.703 1.00 0.00 H new ATOM 0 HA SER A 57 -18.020 1.424 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.640 -0.579 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.083 0.356 -5.008 1.00 0.00 H new ATOM 0 HG SER A 57 -19.223 -1.806 -5.836 1.00 0.00 H new ATOM 864 N LEU A 58 -15.661 1.548 -4.653 1.00 0.00 N ATOM 865 CA LEU A 58 -14.994 2.422 -3.695 1.00 0.00 C ATOM 866 C LEU A 58 -15.019 3.871 -4.170 1.00 0.00 C ATOM 867 O LEU A 58 -14.615 4.175 -5.293 1.00 0.00 O ATOM 868 CB LEU A 58 -13.550 1.968 -3.479 1.00 0.00 C ATOM 869 CG LEU A 58 -13.363 0.533 -2.984 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.885 0.200 -2.859 1.00 0.00 C ATOM 871 CD2 LEU A 58 -14.072 0.333 -1.653 1.00 0.00 C ATOM 0 H LEU A 58 -15.182 0.663 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.532 2.360 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.011 2.079 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.082 2.642 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.806 -0.144 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.772 -0.825 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.405 0.303 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.417 0.882 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.929 -0.693 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.659 1.019 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.137 0.530 -1.775 1.00 0.00 H new ATOM 883 N LYS A 59 -15.495 4.763 -3.308 1.00 0.00 N ATOM 884 CA LYS A 59 -15.570 6.182 -3.638 1.00 0.00 C ATOM 885 C LYS A 59 -14.764 7.014 -2.645 1.00 0.00 C ATOM 886 O LYS A 59 -14.863 6.821 -1.433 1.00 0.00 O ATOM 887 CB LYS A 59 -17.027 6.648 -3.646 1.00 0.00 C ATOM 888 CG LYS A 59 -17.756 6.391 -2.338 1.00 0.00 C ATOM 889 CD LYS A 59 -18.376 5.004 -2.310 1.00 0.00 C ATOM 890 CE LYS A 59 -19.770 5.004 -2.920 1.00 0.00 C ATOM 891 NZ LYS A 59 -20.818 5.312 -1.909 1.00 0.00 N ATOM 0 H LYS A 59 -15.835 4.529 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.145 6.322 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.057 7.715 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.557 6.142 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.060 6.497 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.534 7.142 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -17.739 4.308 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -18.428 4.648 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.814 5.738 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.971 4.030 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.753 5.302 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.793 4.597 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.641 6.252 -1.501 1.00 0.00 H new ATOM 905 N LYS A 60 -13.967 7.940 -3.166 1.00 0.00 N ATOM 906 CA LYS A 60 -13.146 8.805 -2.327 1.00 0.00 C ATOM 907 C LYS A 60 -13.863 9.137 -1.022 1.00 0.00 C ATOM 908 O LYS A 60 -13.242 9.207 0.038 1.00 0.00 O ATOM 909 CB LYS A 60 -12.799 10.095 -3.074 1.00 0.00 C ATOM 910 CG LYS A 60 -11.945 9.871 -4.310 1.00 0.00 C ATOM 911 CD LYS A 60 -11.902 11.108 -5.190 1.00 0.00 C ATOM 912 CE LYS A 60 -11.686 10.746 -6.651 1.00 0.00 C ATOM 913 NZ LYS A 60 -11.792 11.937 -7.540 1.00 0.00 N ATOM 0 H LYS A 60 -13.872 8.111 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.226 8.272 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.722 10.595 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.273 10.767 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.932 9.602 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.342 9.031 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.835 11.663 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.100 11.766 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.703 10.290 -6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.422 10.001 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.639 11.648 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.738 12.358 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.073 12.638 -7.269 1.00 0.00 H new ATOM 927 N CYS A 61 -15.174 9.341 -1.109 1.00 0.00 N ATOM 928 CA CYS A 61 -15.976 9.666 0.065 1.00 0.00 C ATOM 929 C CYS A 61 -15.681 8.700 1.208 1.00 0.00 C ATOM 930 O CYS A 61 -15.326 9.117 2.310 1.00 0.00 O ATOM 931 CB CYS A 61 -17.465 9.626 -0.282 1.00 0.00 C ATOM 932 SG CYS A 61 -18.106 11.173 -0.964 1.00 0.00 S ATOM 0 H CYS A 61 -15.703 9.287 -1.980 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.713 10.673 0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.638 8.825 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.030 9.376 0.616 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.372 11.039 -1.228 1.00 0.00 H new ATOM 938 N ASN A 62 -15.833 7.408 0.939 1.00 0.00 N ATOM 939 CA ASN A 62 -15.586 6.383 1.946 1.00 0.00 C ATOM 940 C ASN A 62 -14.090 6.183 2.163 1.00 0.00 C ATOM 941 O ASN A 62 -13.378 5.728 1.269 1.00 0.00 O ATOM 942 CB ASN A 62 -16.233 5.061 1.527 1.00 0.00 C ATOM 943 CG ASN A 62 -17.676 4.955 1.979 1.00 0.00 C ATOM 944 OD1 ASN A 62 -18.596 4.959 1.160 1.00 0.00 O ATOM 945 ND2 ASN A 62 -17.882 4.860 3.287 1.00 0.00 N ATOM 0 H ASN A 62 -16.126 7.046 0.032 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.030 6.716 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.187 4.965 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.662 4.232 1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.833 4.786 3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.090 4.861 3.929 1.00 0.00 H new ATOM 952 N ALA A 63 -13.619 6.527 3.357 1.00 0.00 N ATOM 953 CA ALA A 63 -12.208 6.384 3.694 1.00 0.00 C ATOM 954 C ALA A 63 -11.999 5.284 4.729 1.00 0.00 C ATOM 955 O ALA A 63 -11.222 4.354 4.513 1.00 0.00 O ATOM 956 CB ALA A 63 -11.650 7.705 4.204 1.00 0.00 C ATOM 0 H ALA A 63 -14.195 6.907 4.108 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.671 6.101 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.596 7.583 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.756 8.467 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.199 8.012 5.094 1.00 0.00 H new ATOM 962 N HIS A 64 -12.698 5.397 5.855 1.00 0.00 N ATOM 963 CA HIS A 64 -12.588 4.411 6.924 1.00 0.00 C ATOM 964 C HIS A 64 -12.877 3.007 6.401 1.00 0.00 C ATOM 965 O HIS A 64 -12.095 2.081 6.616 1.00 0.00 O ATOM 966 CB HIS A 64 -13.553 4.751 8.061 1.00 0.00 C ATOM 967 CG HIS A 64 -13.633 3.692 9.116 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.530 3.228 9.802 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.693 3.007 9.604 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.908 2.301 10.664 1.00 0.00 C ATOM 971 NE2 HIS A 64 -14.217 2.149 10.564 1.00 0.00 N ATOM 0 H HIS A 64 -13.346 6.161 6.050 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.566 4.436 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.242 5.689 8.522 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.547 4.914 7.646 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.722 3.115 9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.258 1.760 11.336 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.782 1.500 11.111 1.00 0.00 H new ATOM 980 N TYR A 65 -14.003 2.857 5.713 1.00 0.00 N ATOM 981 CA TYR A 65 -14.397 1.566 5.162 1.00 0.00 C ATOM 982 C TYR A 65 -13.347 1.049 4.183 1.00 0.00 C ATOM 983 O TYR A 65 -12.999 -0.132 4.195 1.00 0.00 O ATOM 984 CB TYR A 65 -15.751 1.677 4.461 1.00 0.00 C ATOM 985 CG TYR A 65 -16.136 0.438 3.686 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.524 0.133 2.476 1.00 0.00 C ATOM 987 CD2 TYR A 65 -17.111 -0.429 4.163 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.873 -0.997 1.763 1.00 0.00 C ATOM 989 CE2 TYR A 65 -17.465 -1.563 3.458 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.844 -1.842 2.258 1.00 0.00 C ATOM 991 OH TYR A 65 -17.193 -2.971 1.552 1.00 0.00 O ATOM 0 H TYR A 65 -14.660 3.614 5.523 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.480 0.859 5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.520 1.883 5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.730 2.528 3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.762 0.792 2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.601 -0.213 5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.388 -1.218 0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.224 -2.228 3.844 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.891 -3.458 2.038 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.843 1.943 3.339 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.832 1.579 2.353 1.00 0.00 C ATOM 1003 C ASN A 66 -10.547 1.122 3.036 1.00 0.00 C ATOM 1004 O ASN A 66 -9.917 0.150 2.612 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.539 2.764 1.431 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.690 3.061 0.488 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.809 2.587 0.688 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.420 3.850 -0.545 1.00 0.00 N ATOM 0 H ASN A 66 -13.118 2.925 3.318 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.221 0.752 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.330 3.647 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.641 2.555 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.155 4.086 -1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.478 4.220 -0.671 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.162 1.827 4.094 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.951 1.493 4.837 1.00 0.00 C ATOM 1017 C LEU A 67 -9.072 0.118 5.484 1.00 0.00 C ATOM 1018 O LEU A 67 -8.359 -0.815 5.118 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.679 2.551 5.906 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.325 3.948 5.394 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.522 4.985 6.490 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.895 3.981 4.878 1.00 0.00 C ATOM 0 H LEU A 67 -10.670 2.633 4.457 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.117 1.471 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.561 2.632 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.863 2.200 6.537 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.994 4.191 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.265 5.973 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.563 4.980 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.879 4.746 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.661 4.983 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.211 3.716 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.786 3.267 4.061 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.980 0.001 6.449 1.00 0.00 N ATOM 1035 CA GLN A 68 -10.194 -1.261 7.146 1.00 0.00 C ATOM 1036 C GLN A 68 -10.303 -2.418 6.158 1.00 0.00 C ATOM 1037 O GLN A 68 -9.692 -3.469 6.348 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.458 -1.186 8.003 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.745 -1.298 7.202 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.975 -0.964 8.022 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.889 -0.271 9.037 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -15.129 -1.454 7.586 1.00 0.00 N ATOM 0 H GLN A 68 -10.578 0.764 6.765 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.335 -1.440 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.431 -1.984 8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.461 -0.243 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.693 -0.629 6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.838 -2.311 6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.154 -2.023 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.991 -1.261 8.097 1.00 0.00 H new ATOM 1051 N ASN A 69 -11.086 -2.216 5.102 1.00 0.00 N ATOM 1052 CA ASN A 69 -11.276 -3.244 4.085 1.00 0.00 C ATOM 1053 C ASN A 69 -9.934 -3.775 3.592 1.00 0.00 C ATOM 1054 O ASN A 69 -9.676 -4.977 3.642 1.00 0.00 O ATOM 1055 CB ASN A 69 -12.079 -2.682 2.909 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.478 -3.757 1.917 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -13.553 -4.348 2.023 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.611 -4.017 0.945 1.00 0.00 N ATOM 0 H ASN A 69 -11.598 -1.351 4.929 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.829 -4.069 4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.975 -2.189 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.488 -1.922 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.825 -4.731 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.731 -3.503 0.895 1.00 0.00 H new ATOM 1065 N ALA A 70 -9.084 -2.872 3.116 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.767 -3.249 2.616 1.00 0.00 C ATOM 1067 C ALA A 70 -6.930 -3.898 3.713 1.00 0.00 C ATOM 1068 O ALA A 70 -6.344 -4.963 3.512 1.00 0.00 O ATOM 1069 CB ALA A 70 -7.049 -2.033 2.051 1.00 0.00 C ATOM 0 H ALA A 70 -9.284 -1.873 3.066 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.903 -3.979 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.067 -2.329 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.633 -1.613 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.931 -1.284 2.834 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.877 -3.252 4.872 1.00 0.00 N ATOM 1076 CA PHE A 71 -6.109 -3.766 6.001 1.00 0.00 C ATOM 1077 C PHE A 71 -6.493 -5.211 6.305 1.00 0.00 C ATOM 1078 O PHE A 71 -5.629 -6.062 6.514 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.335 -2.894 7.238 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.586 -1.594 7.200 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.208 -1.576 7.044 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.257 -0.388 7.319 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.516 -0.381 7.010 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.570 0.811 7.284 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.197 0.815 7.129 1.00 0.00 C ATOM 0 H PHE A 71 -7.357 -2.371 5.055 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.053 -3.738 5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.401 -2.687 7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.035 -3.451 8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.670 -2.507 6.948 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.330 -0.384 7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.443 -0.382 6.890 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.106 1.744 7.378 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.658 1.750 7.101 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.794 -5.479 6.331 1.00 0.00 N ATOM 1096 CA ASN A 72 -8.292 -6.821 6.612 1.00 0.00 C ATOM 1097 C ASN A 72 -7.834 -7.806 5.541 1.00 0.00 C ATOM 1098 O ASN A 72 -7.375 -8.907 5.850 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.820 -6.813 6.694 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.331 -6.046 7.899 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -9.997 -6.368 9.040 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -11.143 -5.026 7.651 1.00 0.00 N ATOM 0 H ASN A 72 -8.522 -4.786 6.161 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.885 -7.140 7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.227 -6.370 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.184 -7.839 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.517 -4.473 8.422 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.393 -4.795 6.689 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.964 -7.404 4.282 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.562 -8.251 3.164 1.00 0.00 C ATOM 1111 C LEU A 73 -6.067 -8.548 3.214 1.00 0.00 C ATOM 1112 O LEU A 73 -5.645 -9.688 3.023 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.915 -7.579 1.836 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.348 -7.781 1.340 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.629 -6.891 0.140 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.588 -9.243 0.989 1.00 0.00 C ATOM 0 H LEU A 73 -8.344 -6.498 4.009 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.104 -9.194 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.733 -6.509 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.232 -7.949 1.072 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.032 -7.501 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.653 -7.049 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.497 -5.847 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.938 -7.138 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.612 -9.370 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.895 -9.547 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.429 -9.860 1.873 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.273 -7.516 3.475 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.825 -7.668 3.555 1.00 0.00 C ATOM 1130 C ALA A 74 -3.424 -8.448 4.802 1.00 0.00 C ATOM 1131 O ALA A 74 -2.362 -9.071 4.840 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.151 -6.304 3.543 1.00 0.00 C ATOM 0 H ALA A 74 -5.607 -6.566 3.635 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.494 -8.232 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.070 -6.432 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.404 -5.781 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.496 -5.720 4.397 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.278 -8.409 5.820 1.00 0.00 N ATOM 1139 CA GLU A 75 -4.009 -9.112 7.069 1.00 0.00 C ATOM 1140 C GLU A 75 -4.603 -10.518 7.041 1.00 0.00 C ATOM 1141 O GLU A 75 -4.248 -11.371 7.854 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.579 -8.329 8.254 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.084 -8.822 9.603 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.087 -8.582 10.715 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.201 -9.142 10.640 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.758 -7.834 11.660 1.00 0.00 O ATOM 0 H GLU A 75 -5.161 -7.899 5.804 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.928 -9.195 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.318 -7.277 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.667 -8.391 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.867 -9.888 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.148 -8.320 9.848 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.511 -10.751 6.099 1.00 0.00 N ATOM 1154 CA LYS A 76 -6.154 -12.052 5.962 1.00 0.00 C ATOM 1155 C LYS A 76 -5.630 -12.793 4.737 1.00 0.00 C ATOM 1156 O LYS A 76 -5.023 -13.856 4.856 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.672 -11.884 5.858 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.441 -13.182 6.032 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.741 -13.461 7.494 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.989 -12.726 7.957 1.00 0.00 C ATOM 1161 NZ LYS A 76 -11.227 -13.509 7.691 1.00 0.00 N ATOM 0 H LYS A 76 -5.818 -10.055 5.419 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.918 -12.641 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.003 -11.171 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.916 -11.454 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.374 -13.131 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.863 -14.007 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.873 -14.533 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.891 -13.158 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.913 -12.519 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.052 -11.763 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.055 -12.973 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.314 -13.685 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.179 -14.417 8.196 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.867 -12.223 3.559 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.416 -12.830 2.312 1.00 0.00 C ATOM 1177 C GLU A 77 -3.895 -12.939 2.278 1.00 0.00 C ATOM 1178 O GLU A 77 -3.339 -14.038 2.238 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.907 -12.014 1.114 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.410 -11.793 1.103 1.00 0.00 C ATOM 1181 CD GLU A 77 -8.190 -13.094 1.090 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -8.479 -13.600 -0.015 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.511 -13.605 2.182 1.00 0.00 O ATOM 0 H GLU A 77 -6.368 -11.342 3.442 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.836 -13.834 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.406 -11.046 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.616 -12.523 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.695 -11.212 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.680 -11.203 0.228 1.00 0.00 H new ATOM 1190 N LEU A 78 -3.224 -11.791 2.294 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.767 -11.756 2.265 1.00 0.00 C ATOM 1192 C LEU A 78 -1.182 -12.321 3.556 1.00 0.00 C ATOM 1193 O LEU A 78 -0.244 -13.116 3.529 1.00 0.00 O ATOM 1194 CB LEU A 78 -1.276 -10.323 2.054 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.989 -9.522 0.963 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.525 -8.075 0.973 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.750 -10.152 -0.402 1.00 0.00 C ATOM 0 H LEU A 78 -3.667 -10.873 2.327 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.430 -12.376 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.375 -9.784 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.213 -10.356 1.816 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.060 -9.539 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.043 -7.521 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.748 -7.628 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.450 -8.036 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.264 -9.570 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.681 -10.166 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.133 -11.172 -0.404 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.746 -11.906 4.686 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.269 -12.383 5.971 1.00 0.00 C ATOM 1211 C GLY A 79 -0.229 -11.464 6.580 1.00 0.00 C ATOM 1212 O GLY A 79 0.780 -11.925 7.116 1.00 0.00 O ATOM 0 H GLY A 79 -2.524 -11.248 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.112 -12.477 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.843 -13.379 5.850 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.471 -10.160 6.497 1.00 0.00 N ATOM 1217 CA LEU A 80 0.453 -9.172 7.044 1.00 0.00 C ATOM 1218 C LEU A 80 -0.050 -8.637 8.381 1.00 0.00 C ATOM 1219 O LEU A 80 -1.253 -8.468 8.582 1.00 0.00 O ATOM 1220 CB LEU A 80 0.641 -8.020 6.057 1.00 0.00 C ATOM 1221 CG LEU A 80 1.393 -8.354 4.768 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.119 -7.306 3.702 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.887 -8.467 5.037 1.00 0.00 C ATOM 0 H LEU A 80 -1.300 -9.762 6.056 1.00 0.00 H new ATOM 0 HA LEU A 80 1.413 -9.660 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.342 -7.633 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.173 -7.216 6.566 1.00 0.00 H new ATOM 0 HG LEU A 80 1.036 -9.316 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.663 -7.561 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.050 -7.274 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.447 -6.330 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.407 -8.705 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.259 -7.520 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.067 -9.257 5.766 1.00 0.00 H new ATOM 1235 N THR A 81 0.880 -8.368 9.292 1.00 0.00 N ATOM 1236 CA THR A 81 0.532 -7.849 10.609 1.00 0.00 C ATOM 1237 C THR A 81 0.110 -6.386 10.530 1.00 0.00 C ATOM 1238 O THR A 81 0.892 -5.525 10.128 1.00 0.00 O ATOM 1239 CB THR A 81 1.710 -7.980 11.593 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.146 -9.342 11.657 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.309 -7.506 12.982 1.00 0.00 C ATOM 0 H THR A 81 1.880 -8.501 9.142 1.00 0.00 H new ATOM 0 HA THR A 81 -0.304 -8.446 10.973 1.00 0.00 H new ATOM 0 HB THR A 81 2.527 -7.354 11.233 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.896 -9.416 12.283 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.156 -7.608 13.660 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.005 -6.460 12.936 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.478 -8.110 13.347 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.131 -6.112 10.917 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.658 -4.753 10.893 1.00 0.00 C ATOM 1251 C LYS A 82 -0.852 -3.840 11.812 1.00 0.00 C ATOM 1252 O LYS A 82 -1.047 -3.839 13.028 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.129 -4.746 11.312 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.087 -5.072 10.178 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.533 -4.851 10.587 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.484 -5.695 9.754 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.841 -5.768 10.364 1.00 0.00 N ATOM 0 H LYS A 82 -1.791 -6.814 11.251 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.576 -4.377 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.272 -5.468 12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.378 -3.765 11.716 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.854 -4.450 9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.949 -6.109 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.655 -5.097 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.787 -3.797 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.559 -5.275 8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.079 -6.701 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.515 -6.142 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.816 -6.396 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.141 -4.817 10.659 1.00 0.00 H new ATOM 1271 N LEU A 83 0.052 -3.065 11.224 1.00 0.00 N ATOM 1272 CA LEU A 83 0.887 -2.146 11.991 1.00 0.00 C ATOM 1273 C LEU A 83 0.134 -0.857 12.301 1.00 0.00 C ATOM 1274 O LEU A 83 0.368 -0.220 13.329 1.00 0.00 O ATOM 1275 CB LEU A 83 2.169 -1.828 11.221 1.00 0.00 C ATOM 1276 CG LEU A 83 2.908 -3.026 10.623 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.016 -2.560 9.692 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.470 -3.911 11.725 1.00 0.00 C ATOM 0 H LEU A 83 0.226 -3.054 10.219 1.00 0.00 H new ATOM 0 HA LEU A 83 1.146 -2.629 12.933 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.922 -1.139 10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.851 -1.304 11.891 1.00 0.00 H new ATOM 0 HG LEU A 83 2.197 -3.613 10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.530 -3.426 9.276 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.587 -1.970 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.726 -1.949 10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.992 -4.758 11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.166 -3.335 12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.655 -4.275 12.351 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.773 -0.477 11.408 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.563 0.736 11.586 1.00 0.00 C ATOM 1292 C LEU A 84 -3.052 0.410 11.662 1.00 0.00 C ATOM 1293 O LEU A 84 -3.444 -0.756 11.628 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.301 1.713 10.439 1.00 0.00 C ATOM 1295 CG LEU A 84 0.167 1.989 10.115 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.299 2.636 8.745 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.793 2.870 11.186 1.00 0.00 C ATOM 0 H LEU A 84 -0.980 -0.992 10.552 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.263 1.200 12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.784 1.326 9.542 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.784 2.661 10.678 1.00 0.00 H new ATOM 0 HG LEU A 84 0.700 1.039 10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.351 2.825 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.111 1.969 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.249 3.578 8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.838 3.056 10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.258 3.818 11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.732 2.368 12.151 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.875 1.448 11.763 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.320 1.272 11.839 1.00 0.00 C ATOM 1311 C ASP A 85 -6.034 2.213 10.872 1.00 0.00 C ATOM 1312 O ASP A 85 -5.498 3.242 10.460 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.811 1.520 13.267 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.725 0.278 14.132 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.969 -0.828 13.607 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -5.414 0.413 15.334 1.00 0.00 O ATOM 0 H ASP A 85 -3.566 2.420 11.794 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.552 0.245 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.219 2.316 13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.843 1.868 13.238 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.271 1.852 10.501 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.085 2.651 9.579 1.00 0.00 C ATOM 1323 C PRO A 86 -8.547 3.963 10.200 1.00 0.00 C ATOM 1324 O PRO A 86 -9.245 4.750 9.562 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.283 1.744 9.288 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.383 0.854 10.478 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.973 0.639 10.954 1.00 0.00 C ATOM 0 HA PRO A 86 -7.527 2.941 8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.195 2.325 9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.131 1.168 8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.992 1.311 11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.856 -0.093 10.218 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.927 0.529 12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.537 -0.262 10.523 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.153 4.193 11.449 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.529 5.411 12.156 1.00 0.00 C ATOM 1337 C GLU A 87 -7.313 6.305 12.385 1.00 0.00 C ATOM 1338 O GLU A 87 -7.379 7.520 12.199 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.183 5.069 13.496 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.608 4.556 13.365 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.320 4.463 14.700 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -11.072 3.486 15.438 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -12.124 5.366 15.007 1.00 0.00 O ATOM 0 H GLU A 87 -7.574 3.552 11.991 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.245 5.952 11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.580 4.316 14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.182 5.957 14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.169 5.217 12.704 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.594 3.572 12.896 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.205 5.693 12.790 1.00 0.00 N ATOM 1351 CA ASP A 88 -4.973 6.432 13.044 1.00 0.00 C ATOM 1352 C ASP A 88 -4.448 7.069 11.761 1.00 0.00 C ATOM 1353 O ASP A 88 -4.072 8.242 11.747 1.00 0.00 O ATOM 1354 CB ASP A 88 -3.912 5.506 13.640 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.012 5.408 15.149 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.942 4.733 15.640 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.161 6.004 15.840 1.00 0.00 O ATOM 0 H ASP A 88 -6.135 4.688 12.949 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.194 7.225 13.758 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.017 4.511 13.206 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.921 5.870 13.367 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.424 6.289 10.685 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.944 6.777 9.398 1.00 0.00 C ATOM 1364 C VAL A 89 -4.848 7.878 8.855 1.00 0.00 C ATOM 1365 O VAL A 89 -4.377 8.946 8.466 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.862 5.640 8.362 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.493 6.190 6.992 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.860 4.585 8.808 1.00 0.00 C ATOM 0 H VAL A 89 -4.731 5.316 10.679 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.945 7.180 9.566 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.843 5.170 8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.440 5.372 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.250 6.906 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.524 6.687 7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.815 3.789 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.875 5.040 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.172 4.169 9.766 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.150 7.611 8.834 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.122 8.580 8.340 1.00 0.00 C ATOM 1380 C ASN A 90 -7.104 9.848 9.188 1.00 0.00 C ATOM 1381 O ASN A 90 -7.872 9.980 10.142 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.526 7.972 8.341 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.567 8.921 7.782 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -10.252 8.495 6.728 1.00 0.00 O flip ATOM 1385 ND2 ASN A 90 -9.754 10.025 8.294 1.00 0.00 N flip ATOM 0 H ASN A 90 -6.556 6.732 9.153 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.849 8.843 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.522 7.054 7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.799 7.697 9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.204 10.311 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.459 10.653 7.908 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.224 10.779 8.833 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.108 12.038 9.559 1.00 0.00 C ATOM 1394 C VAL A 91 -5.564 13.143 8.661 1.00 0.00 C ATOM 1395 O VAL A 91 -5.034 12.876 7.582 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.192 11.894 10.790 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.795 11.463 10.367 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.143 13.197 11.572 1.00 0.00 C ATOM 0 H VAL A 91 -5.581 10.685 8.047 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.111 12.305 9.891 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.604 11.122 11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.161 11.366 11.249 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.850 10.503 9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.371 12.210 9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.492 13.077 12.438 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.755 13.990 10.933 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.147 13.459 11.906 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.698 14.385 9.113 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.218 15.532 8.351 1.00 0.00 C ATOM 1410 C ASP A 92 -3.765 15.335 7.928 1.00 0.00 C ATOM 1411 O ASP A 92 -3.436 15.421 6.746 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.353 16.812 9.176 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.755 17.388 9.125 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.586 17.004 9.975 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.020 18.224 8.236 1.00 0.00 O ATOM 0 H ASP A 92 -6.135 14.623 10.003 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.830 15.622 7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.087 16.603 10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.645 17.554 8.808 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.902 15.070 8.904 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.484 14.863 8.632 1.00 0.00 C ATOM 1422 C GLN A 93 -0.957 13.649 9.392 1.00 0.00 C ATOM 1423 O GLN A 93 -0.386 13.766 10.477 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.683 16.108 9.017 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.006 17.326 8.167 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.345 17.280 6.804 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.349 16.318 6.470 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.558 18.320 6.007 1.00 0.00 N ATOM 0 H GLN A 93 -3.159 14.994 9.888 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.366 14.680 7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.875 16.344 10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.381 15.887 8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.086 17.399 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.685 18.226 8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.140 19.095 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.140 18.344 5.077 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.151 12.457 8.810 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.701 11.199 9.414 1.00 0.00 C ATOM 1439 C PRO A 94 0.818 11.064 9.411 1.00 0.00 C ATOM 1440 O PRO A 94 1.497 11.608 8.540 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.335 10.130 8.520 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.530 10.802 7.205 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.822 12.244 7.517 1.00 0.00 C ATOM 0 HA PRO A 94 -0.990 11.124 10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.688 9.258 8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.283 9.782 8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.639 10.710 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.353 10.348 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.430 12.909 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.894 12.431 7.585 1.00 0.00 H new ATOM 1451 N ASP A 95 1.344 10.336 10.389 1.00 0.00 N ATOM 1452 CA ASP A 95 2.784 10.128 10.497 1.00 0.00 C ATOM 1453 C ASP A 95 3.310 9.335 9.304 1.00 0.00 C ATOM 1454 O ASP A 95 3.280 8.104 9.304 1.00 0.00 O ATOM 1455 CB ASP A 95 3.118 9.397 11.798 1.00 0.00 C ATOM 1456 CG ASP A 95 2.010 8.463 12.239 1.00 0.00 C ATOM 1457 OD1 ASP A 95 1.172 8.095 11.390 1.00 0.00 O ATOM 1458 OD2 ASP A 95 1.981 8.098 13.434 1.00 0.00 O ATOM 0 H ASP A 95 0.796 9.880 11.118 1.00 0.00 H new ATOM 0 HA ASP A 95 3.268 11.105 10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.038 8.827 11.665 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.307 10.128 12.584 1.00 0.00 H new ATOM 1463 N GLU A 96 3.789 10.048 8.291 1.00 0.00 N ATOM 1464 CA GLU A 96 4.320 9.409 7.092 1.00 0.00 C ATOM 1465 C GLU A 96 5.391 8.383 7.450 1.00 0.00 C ATOM 1466 O GLU A 96 5.617 7.422 6.715 1.00 0.00 O ATOM 1467 CB GLU A 96 4.901 10.459 6.143 1.00 0.00 C ATOM 1468 CG GLU A 96 5.823 11.455 6.828 1.00 0.00 C ATOM 1469 CD GLU A 96 6.485 12.404 5.849 1.00 0.00 C ATOM 1470 OE1 GLU A 96 6.465 12.115 4.634 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.024 13.438 6.299 1.00 0.00 O ATOM 0 H GLU A 96 3.821 11.067 8.276 1.00 0.00 H new ATOM 0 HA GLU A 96 3.500 8.893 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.451 9.954 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.082 11.001 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.253 12.030 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.591 10.913 7.380 1.00 0.00 H new ATOM 1478 N LYS A 97 6.047 8.594 8.586 1.00 0.00 N ATOM 1479 CA LYS A 97 7.094 7.689 9.045 1.00 0.00 C ATOM 1480 C LYS A 97 6.503 6.354 9.489 1.00 0.00 C ATOM 1481 O LYS A 97 7.155 5.314 9.395 1.00 0.00 O ATOM 1482 CB LYS A 97 7.876 8.322 10.198 1.00 0.00 C ATOM 1483 CG LYS A 97 8.695 9.533 9.784 1.00 0.00 C ATOM 1484 CD LYS A 97 9.953 9.125 9.037 1.00 0.00 C ATOM 1485 CE LYS A 97 10.370 10.186 8.030 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.779 10.003 7.582 1.00 0.00 N ATOM 0 H LYS A 97 5.872 9.385 9.206 1.00 0.00 H new ATOM 0 HA LYS A 97 7.773 7.507 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.178 8.617 10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.541 7.574 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.090 10.184 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.966 10.110 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.762 8.958 9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.782 8.180 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.706 10.147 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.256 11.174 8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.025 10.746 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.415 10.065 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.882 9.070 7.134 1.00 0.00 H new ATOM 1500 N SER A 98 5.266 6.392 9.973 1.00 0.00 N ATOM 1501 CA SER A 98 4.588 5.186 10.435 1.00 0.00 C ATOM 1502 C SER A 98 3.910 4.466 9.273 1.00 0.00 C ATOM 1503 O SER A 98 3.430 3.342 9.422 1.00 0.00 O ATOM 1504 CB SER A 98 3.554 5.536 11.506 1.00 0.00 C ATOM 1505 OG SER A 98 4.182 5.919 12.717 1.00 0.00 O ATOM 0 H SER A 98 4.712 7.245 10.056 1.00 0.00 H new ATOM 0 HA SER A 98 5.336 4.520 10.866 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.918 6.347 11.150 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.906 4.678 11.684 1.00 0.00 H new ATOM 0 HG SER A 98 3.603 6.543 13.203 1.00 0.00 H new ATOM 1511 N ILE A 99 3.876 5.121 8.118 1.00 0.00 N ATOM 1512 CA ILE A 99 3.259 4.544 6.930 1.00 0.00 C ATOM 1513 C ILE A 99 4.309 3.940 6.003 1.00 0.00 C ATOM 1514 O ILE A 99 4.201 2.782 5.597 1.00 0.00 O ATOM 1515 CB ILE A 99 2.445 5.593 6.151 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.336 6.168 7.034 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.860 4.980 4.888 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.660 7.384 6.440 1.00 0.00 C ATOM 0 H ILE A 99 4.269 6.052 7.979 1.00 0.00 H new ATOM 0 HA ILE A 99 2.587 3.758 7.275 1.00 0.00 H new ATOM 0 HB ILE A 99 3.111 6.406 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.587 5.396 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.756 6.433 8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.287 5.735 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.667 4.615 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.205 4.151 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.115 7.738 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.397 8.172 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.210 7.119 5.483 1.00 0.00 H new ATOM 1530 N ILE A 100 5.325 4.731 5.675 1.00 0.00 N ATOM 1531 CA ILE A 100 6.396 4.274 4.798 1.00 0.00 C ATOM 1532 C ILE A 100 6.875 2.883 5.196 1.00 0.00 C ATOM 1533 O ILE A 100 7.222 2.064 4.344 1.00 0.00 O ATOM 1534 CB ILE A 100 7.593 5.243 4.818 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.171 6.619 4.298 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.740 4.685 3.990 1.00 0.00 C ATOM 1537 CD1 ILE A 100 8.008 7.754 4.844 1.00 0.00 C ATOM 0 H ILE A 100 5.429 5.691 6.003 1.00 0.00 H new ATOM 0 HA ILE A 100 5.985 4.240 3.789 1.00 0.00 H new ATOM 0 HB ILE A 100 7.935 5.354 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.235 6.622 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.126 6.792 4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.578 5.381 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.053 3.726 4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.412 4.548 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.652 8.699 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.925 7.777 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.051 7.605 4.563 1.00 0.00 H new ATOM 1549 N THR A 101 6.894 2.619 6.499 1.00 0.00 N ATOM 1550 CA THR A 101 7.331 1.327 7.012 1.00 0.00 C ATOM 1551 C THR A 101 6.305 0.240 6.710 1.00 0.00 C ATOM 1552 O THR A 101 6.661 -0.873 6.327 1.00 0.00 O ATOM 1553 CB THR A 101 7.575 1.379 8.532 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.428 2.484 8.854 1.00 0.00 O ATOM 1555 CG2 THR A 101 8.207 0.085 9.023 1.00 0.00 C ATOM 0 H THR A 101 6.611 3.284 7.219 1.00 0.00 H new ATOM 0 HA THR A 101 8.268 1.088 6.509 1.00 0.00 H new ATOM 0 HB THR A 101 6.613 1.506 9.028 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.884 3.288 8.991 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.370 0.145 10.099 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.543 -0.751 8.803 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.162 -0.068 8.519 1.00 0.00 H new ATOM 1563 N TYR A 102 5.031 0.572 6.886 1.00 0.00 N ATOM 1564 CA TYR A 102 3.952 -0.377 6.634 1.00 0.00 C ATOM 1565 C TYR A 102 3.868 -0.724 5.151 1.00 0.00 C ATOM 1566 O TYR A 102 3.971 -1.890 4.767 1.00 0.00 O ATOM 1567 CB TYR A 102 2.618 0.197 7.112 1.00 0.00 C ATOM 1568 CG TYR A 102 1.423 -0.643 6.723 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.806 -0.480 5.489 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.912 -1.603 7.589 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.287 -1.246 5.130 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.180 -2.374 7.237 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.775 -2.191 6.007 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.862 -2.957 5.652 1.00 0.00 O ATOM 0 H TYR A 102 4.720 1.491 7.202 1.00 0.00 H new ATOM 0 HA TYR A 102 4.167 -1.289 7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.643 0.297 8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.496 1.200 6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.187 0.258 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.376 -1.749 8.553 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.756 -1.105 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.565 -3.115 7.922 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.682 -2.433 5.764 1.00 0.00 H new ATOM 1584 N VAL A 103 3.679 0.297 4.321 1.00 0.00 N ATOM 1585 CA VAL A 103 3.583 0.102 2.878 1.00 0.00 C ATOM 1586 C VAL A 103 4.771 -0.693 2.351 1.00 0.00 C ATOM 1587 O VAL A 103 4.649 -1.442 1.382 1.00 0.00 O ATOM 1588 CB VAL A 103 3.508 1.448 2.134 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.735 2.295 2.437 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.362 1.222 0.637 1.00 0.00 C ATOM 0 H VAL A 103 3.589 1.267 4.622 1.00 0.00 H new ATOM 0 HA VAL A 103 2.666 -0.457 2.694 1.00 0.00 H new ATOM 0 HB VAL A 103 2.628 1.988 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.664 3.242 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.789 2.486 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.632 1.764 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.311 2.184 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.221 0.661 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.450 0.658 0.441 1.00 0.00 H new ATOM 1600 N ALA A 104 5.922 -0.525 2.994 1.00 0.00 N ATOM 1601 CA ALA A 104 7.133 -1.229 2.591 1.00 0.00 C ATOM 1602 C ALA A 104 6.897 -2.734 2.526 1.00 0.00 C ATOM 1603 O ALA A 104 7.538 -3.441 1.748 1.00 0.00 O ATOM 1604 CB ALA A 104 8.271 -0.911 3.549 1.00 0.00 C ATOM 0 H ALA A 104 6.041 0.093 3.797 1.00 0.00 H new ATOM 0 HA ALA A 104 7.408 -0.888 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.169 -1.443 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.464 0.162 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.996 -1.223 4.557 1.00 0.00 H new ATOM 1610 N THR A 105 5.974 -3.220 3.350 1.00 0.00 N ATOM 1611 CA THR A 105 5.655 -4.641 3.388 1.00 0.00 C ATOM 1612 C THR A 105 4.985 -5.089 2.094 1.00 0.00 C ATOM 1613 O THR A 105 5.283 -6.161 1.568 1.00 0.00 O ATOM 1614 CB THR A 105 4.731 -4.979 4.574 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.420 -4.454 4.338 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.285 -4.408 5.871 1.00 0.00 C ATOM 0 H THR A 105 5.434 -2.649 4.000 1.00 0.00 H new ATOM 0 HA THR A 105 6.599 -5.173 3.509 1.00 0.00 H new ATOM 0 HB THR A 105 4.677 -6.064 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.372 -3.533 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.616 -4.659 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.271 -4.831 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.365 -3.324 5.786 1.00 0.00 H new ATOM 1624 N TYR A 106 4.080 -4.262 1.585 1.00 0.00 N ATOM 1625 CA TYR A 106 3.366 -4.574 0.352 1.00 0.00 C ATOM 1626 C TYR A 106 4.340 -4.791 -0.801 1.00 0.00 C ATOM 1627 O TYR A 106 4.127 -5.651 -1.656 1.00 0.00 O ATOM 1628 CB TYR A 106 2.389 -3.448 0.004 1.00 0.00 C ATOM 1629 CG TYR A 106 1.079 -3.531 0.754 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.044 -3.905 2.091 1.00 0.00 C ATOM 1631 CD2 TYR A 106 -0.123 -3.236 0.125 1.00 0.00 C ATOM 1632 CE1 TYR A 106 -0.151 -3.982 2.780 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.323 -3.309 0.805 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.332 -3.683 2.133 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.525 -3.758 2.815 1.00 0.00 O ATOM 0 H TYR A 106 3.823 -3.370 2.007 1.00 0.00 H new ATOM 0 HA TYR A 106 2.806 -5.496 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.861 -2.489 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.187 -3.471 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.967 -4.140 2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.120 -2.944 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.160 -4.275 3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.249 -3.075 0.300 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.382 -3.509 3.752 1.00 0.00 H new ATOM 1645 N TYR A 107 5.412 -4.007 -0.817 1.00 0.00 N ATOM 1646 CA TYR A 107 6.420 -4.111 -1.865 1.00 0.00 C ATOM 1647 C TYR A 107 7.324 -5.317 -1.634 1.00 0.00 C ATOM 1648 O TYR A 107 7.380 -6.233 -2.455 1.00 0.00 O ATOM 1649 CB TYR A 107 7.260 -2.833 -1.924 1.00 0.00 C ATOM 1650 CG TYR A 107 8.586 -3.012 -2.627 1.00 0.00 C ATOM 1651 CD1 TYR A 107 8.645 -3.476 -3.935 1.00 0.00 C ATOM 1652 CD2 TYR A 107 9.781 -2.716 -1.984 1.00 0.00 C ATOM 1653 CE1 TYR A 107 9.853 -3.642 -4.581 1.00 0.00 C ATOM 1654 CE2 TYR A 107 10.996 -2.877 -2.622 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.027 -3.341 -3.921 1.00 0.00 C ATOM 1656 OH TYR A 107 12.234 -3.503 -4.561 1.00 0.00 O ATOM 0 H TYR A 107 5.605 -3.292 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 107 5.905 -4.243 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.690 -2.057 -2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.441 -2.480 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.729 -3.711 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.760 -2.353 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.880 -4.006 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.916 -2.641 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 107 12.962 -3.246 -3.957 1.00 0.00 H new ATOM 1666 N HIS A 108 8.033 -5.311 -0.509 1.00 0.00 N ATOM 1667 CA HIS A 108 8.934 -6.404 -0.167 1.00 0.00 C ATOM 1668 C HIS A 108 8.232 -7.752 -0.309 1.00 0.00 C ATOM 1669 O HIS A 108 8.629 -8.587 -1.121 1.00 0.00 O ATOM 1670 CB HIS A 108 9.456 -6.236 1.261 1.00 0.00 C ATOM 1671 CG HIS A 108 10.611 -5.287 1.368 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.874 -5.583 0.903 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.686 -4.040 1.890 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.677 -4.561 1.136 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.981 -3.611 1.734 1.00 0.00 N ATOM 0 H HIS A 108 8.000 -4.560 0.181 1.00 0.00 H new ATOM 0 HA HIS A 108 9.776 -6.378 -0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.645 -5.881 1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.759 -7.210 1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.878 -3.486 2.344 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.725 -4.510 0.881 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.346 -2.706 2.031 1.00 0.00 H new ATOM 1684 N TYR A 109 7.189 -7.956 0.488 1.00 0.00 N ATOM 1685 CA TYR A 109 6.434 -9.203 0.453 1.00 0.00 C ATOM 1686 C TYR A 109 6.303 -9.721 -0.976 1.00 0.00 C ATOM 1687 O TYR A 109 6.934 -10.710 -1.351 1.00 0.00 O ATOM 1688 CB TYR A 109 5.046 -9.000 1.063 1.00 0.00 C ATOM 1689 CG TYR A 109 4.084 -10.129 0.768 1.00 0.00 C ATOM 1690 CD1 TYR A 109 4.010 -11.239 1.600 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.250 -10.084 -0.342 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.133 -12.274 1.333 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.368 -11.113 -0.614 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.315 -12.205 0.225 1.00 0.00 C ATOM 1695 OH TYR A 109 1.438 -13.233 -0.042 1.00 0.00 O ATOM 0 H TYR A 109 6.847 -7.275 1.166 1.00 0.00 H new ATOM 0 HA TYR A 109 6.977 -9.944 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.145 -8.891 2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.625 -8.068 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.648 -11.294 2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.291 -9.231 -1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.089 -13.131 1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.724 -11.061 -1.479 1.00 0.00 H new ATOM 0 HH TYR A 109 0.934 -13.029 -0.857 1.00 0.00 H new ATOM 1705 N PHE A 110 5.479 -9.045 -1.770 1.00 0.00 N ATOM 1706 CA PHE A 110 5.263 -9.437 -3.158 1.00 0.00 C ATOM 1707 C PHE A 110 6.593 -9.638 -3.880 1.00 0.00 C ATOM 1708 O PHE A 110 6.750 -10.571 -4.667 1.00 0.00 O ATOM 1709 CB PHE A 110 4.431 -8.378 -3.885 1.00 0.00 C ATOM 1710 CG PHE A 110 2.951 -8.620 -3.805 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.375 -9.697 -4.461 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.135 -7.772 -3.074 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.013 -9.921 -4.389 1.00 0.00 C ATOM 1714 CE2 PHE A 110 0.773 -7.992 -2.997 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.212 -9.069 -3.656 1.00 0.00 C ATOM 0 H PHE A 110 4.950 -8.224 -1.476 1.00 0.00 H new ATOM 0 HA PHE A 110 4.721 -10.382 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.654 -7.399 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.730 -8.349 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.997 -10.368 -5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.569 -6.928 -2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.576 -10.762 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.148 -7.324 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.852 -9.244 -3.598 1.00 0.00 H new ATOM 1725 N SER A 111 7.548 -8.755 -3.604 1.00 0.00 N ATOM 1726 CA SER A 111 8.863 -8.832 -4.229 1.00 0.00 C ATOM 1727 C SER A 111 9.498 -10.200 -3.994 1.00 0.00 C ATOM 1728 O SER A 111 9.950 -10.856 -4.931 1.00 0.00 O ATOM 1729 CB SER A 111 9.777 -7.733 -3.682 1.00 0.00 C ATOM 1730 OG SER A 111 10.940 -7.593 -4.479 1.00 0.00 O ATOM 0 H SER A 111 7.435 -7.979 -2.952 1.00 0.00 H new ATOM 0 HA SER A 111 8.736 -8.689 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.236 -6.787 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.061 -7.969 -2.657 1.00 0.00 H new ATOM 0 HG SER A 111 11.506 -6.884 -4.110 1.00 0.00 H new ATOM 1736 N LYS A 112 9.527 -10.623 -2.735 1.00 0.00 N ATOM 1737 CA LYS A 112 10.102 -11.912 -2.373 1.00 0.00 C ATOM 1738 C LYS A 112 9.640 -13.004 -3.333 1.00 0.00 C ATOM 1739 O LYS A 112 10.456 -13.684 -3.955 1.00 0.00 O ATOM 1740 CB LYS A 112 9.717 -12.283 -0.940 1.00 0.00 C ATOM 1741 CG LYS A 112 10.361 -11.397 0.112 1.00 0.00 C ATOM 1742 CD LYS A 112 10.585 -12.147 1.414 1.00 0.00 C ATOM 1743 CE LYS A 112 11.896 -12.916 1.395 1.00 0.00 C ATOM 1744 NZ LYS A 112 12.026 -13.819 2.573 1.00 0.00 N ATOM 0 H LYS A 112 9.158 -10.090 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 112 11.187 -11.828 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.633 -12.225 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.000 -13.319 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.314 -11.022 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.727 -10.530 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.587 -11.442 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.759 -12.838 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.960 -13.503 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.729 -12.213 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.933 -14.326 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.991 -13.257 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.245 -14.506 2.572 1.00 0.00 H new ATOM 1758 N MET A 113 8.326 -13.164 -3.451 1.00 0.00 N ATOM 1759 CA MET A 113 7.755 -14.170 -4.338 1.00 0.00 C ATOM 1760 C MET A 113 8.446 -14.151 -5.698 1.00 0.00 C ATOM 1761 O MET A 113 8.984 -13.126 -6.118 1.00 0.00 O ATOM 1762 CB MET A 113 6.253 -13.936 -4.512 1.00 0.00 C ATOM 1763 CG MET A 113 5.446 -14.208 -3.253 1.00 0.00 C ATOM 1764 SD MET A 113 3.679 -14.349 -3.577 1.00 0.00 S ATOM 1765 CE MET A 113 3.137 -12.676 -3.234 1.00 0.00 C ATOM 0 H MET A 113 7.637 -12.610 -2.943 1.00 0.00 H new ATOM 0 HA MET A 113 7.912 -15.149 -3.884 1.00 0.00 H new ATOM 0 HB2 MET A 113 6.088 -12.905 -4.824 1.00 0.00 H new ATOM 0 HB3 MET A 113 5.885 -14.575 -5.315 1.00 0.00 H new ATOM 0 HG2 MET A 113 5.801 -15.129 -2.791 1.00 0.00 H new ATOM 0 HG3 MET A 113 5.617 -13.405 -2.536 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.116 -12.695 -2.852 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.795 -12.226 -2.490 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.170 -12.088 -4.151 1.00 0.00 H new ATOM 1775 N LYS A 114 8.426 -15.289 -6.383 1.00 0.00 N ATOM 1776 CA LYS A 114 9.049 -15.404 -7.697 1.00 0.00 C ATOM 1777 C LYS A 114 10.546 -15.118 -7.616 1.00 0.00 C ATOM 1778 O LYS A 114 11.088 -14.366 -8.425 1.00 0.00 O ATOM 1779 CB LYS A 114 8.387 -14.438 -8.683 1.00 0.00 C ATOM 1780 CG LYS A 114 7.023 -14.899 -9.163 1.00 0.00 C ATOM 1781 CD LYS A 114 6.647 -14.249 -10.484 1.00 0.00 C ATOM 1782 CE LYS A 114 5.147 -14.311 -10.728 1.00 0.00 C ATOM 1783 NZ LYS A 114 4.823 -14.362 -12.181 1.00 0.00 N ATOM 0 H LYS A 114 7.985 -16.146 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 114 8.911 -16.426 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.285 -13.462 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.041 -14.307 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.024 -15.983 -9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.271 -14.658 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.974 -13.209 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.170 -14.749 -11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.735 -15.190 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.670 -13.439 -10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.791 -14.403 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.194 -13.511 -12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.257 -15.207 -12.604 1.00 0.00 H new ATOM 1797 N ALA A 115 11.206 -15.724 -6.635 1.00 0.00 N ATOM 1798 CA ALA A 115 12.640 -15.538 -6.452 1.00 0.00 C ATOM 1799 C ALA A 115 13.195 -16.522 -5.428 1.00 0.00 C ATOM 1800 O ALA A 115 12.651 -16.667 -4.333 1.00 0.00 O ATOM 1801 CB ALA A 115 12.936 -14.108 -6.025 1.00 0.00 C ATOM 0 H ALA A 115 10.771 -16.348 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 115 13.131 -15.731 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 115 14.011 -13.983 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 115 12.583 -13.419 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 115 12.427 -13.896 -5.085 1.00 0.00 H new ATOM 1807 N LEU A 116 14.280 -17.197 -5.790 1.00 0.00 N ATOM 1808 CA LEU A 116 14.909 -18.170 -4.904 1.00 0.00 C ATOM 1809 C LEU A 116 15.429 -17.495 -3.638 1.00 0.00 C ATOM 1810 O LEU A 116 16.177 -16.521 -3.705 1.00 0.00 O ATOM 1811 CB LEU A 116 16.056 -18.881 -5.624 1.00 0.00 C ATOM 1812 CG LEU A 116 15.660 -20.051 -6.523 1.00 0.00 C ATOM 1813 CD1 LEU A 116 15.020 -21.161 -5.704 1.00 0.00 C ATOM 1814 CD2 LEU A 116 14.715 -19.585 -7.621 1.00 0.00 C ATOM 0 H LEU A 116 14.743 -17.088 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 116 14.156 -18.906 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.589 -18.148 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.758 -19.246 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 116 16.562 -20.445 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.745 -21.986 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.728 -21.515 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.128 -20.779 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.444 -20.432 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.815 -19.164 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.208 -18.825 -8.227 1.00 0.00 H new ATOM 1826 N ALA A 117 15.030 -18.023 -2.485 1.00 0.00 N ATOM 1827 CA ALA A 117 15.459 -17.475 -1.204 1.00 0.00 C ATOM 1828 C ALA A 117 15.393 -18.531 -0.106 1.00 0.00 C ATOM 1829 O ALA A 117 14.477 -19.352 -0.075 1.00 0.00 O ATOM 1830 CB ALA A 117 14.607 -16.270 -0.834 1.00 0.00 C ATOM 0 H ALA A 117 14.410 -18.830 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 117 16.497 -17.155 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.938 -15.871 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.709 -15.503 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 117 13.562 -16.572 -0.760 1.00 0.00 H new ATOM 1836 N VAL A 118 16.371 -18.503 0.794 1.00 0.00 N ATOM 1837 CA VAL A 118 16.424 -19.457 1.894 1.00 0.00 C ATOM 1838 C VAL A 118 15.057 -19.613 2.553 1.00 0.00 C ATOM 1839 O VAL A 118 14.403 -18.626 2.889 1.00 0.00 O ATOM 1840 CB VAL A 118 17.449 -19.028 2.960 1.00 0.00 C ATOM 1841 CG1 VAL A 118 17.457 -20.013 4.121 1.00 0.00 C ATOM 1842 CG2 VAL A 118 18.835 -18.903 2.347 1.00 0.00 C ATOM 0 H VAL A 118 17.137 -17.830 0.782 1.00 0.00 H new ATOM 0 HA VAL A 118 16.731 -20.413 1.469 1.00 0.00 H new ATOM 0 HB VAL A 118 17.158 -18.051 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.187 -19.693 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.467 -20.047 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.722 -21.005 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.546 -18.599 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.137 -19.865 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.816 -18.156 1.554 1.00 0.00 H new ATOM 1852 N GLU A 119 14.632 -20.860 2.734 1.00 0.00 N ATOM 1853 CA GLU A 119 13.342 -21.144 3.353 1.00 0.00 C ATOM 1854 C GLU A 119 13.472 -22.252 4.394 1.00 0.00 C ATOM 1855 O GLU A 119 13.947 -23.346 4.097 1.00 0.00 O ATOM 1856 CB GLU A 119 12.320 -21.547 2.289 1.00 0.00 C ATOM 1857 CG GLU A 119 10.887 -21.206 2.662 1.00 0.00 C ATOM 1858 CD GLU A 119 10.620 -19.713 2.651 1.00 0.00 C ATOM 1859 OE1 GLU A 119 10.434 -19.151 1.552 1.00 0.00 O ATOM 1860 OE2 GLU A 119 10.596 -19.107 3.743 1.00 0.00 O ATOM 0 H GLU A 119 15.161 -21.688 2.461 1.00 0.00 H new ATOM 0 HA GLU A 119 12.999 -20.238 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.570 -21.052 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.395 -22.620 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.208 -21.698 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.670 -21.603 3.654 1.00 0.00 H new ATOM 1867 N GLY A 120 13.044 -21.957 5.619 1.00 0.00 N ATOM 1868 CA GLY A 120 13.120 -22.937 6.687 1.00 0.00 C ATOM 1869 C GLY A 120 12.884 -22.324 8.053 1.00 0.00 C ATOM 1870 O GLY A 120 13.806 -21.788 8.668 1.00 0.00 O ATOM 0 H GLY A 120 12.646 -21.058 5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 120 12.382 -23.720 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 120 14.100 -23.413 6.670 1.00 0.00 H new ATOM 1874 N LYS A 121 11.646 -22.403 8.529 1.00 0.00 N ATOM 1875 CA LYS A 121 11.291 -21.851 9.831 1.00 0.00 C ATOM 1876 C LYS A 121 10.760 -22.941 10.757 1.00 0.00 C ATOM 1877 O LYS A 121 11.217 -23.084 11.890 1.00 0.00 O ATOM 1878 CB LYS A 121 10.243 -20.747 9.672 1.00 0.00 C ATOM 1879 CG LYS A 121 10.838 -19.381 9.378 1.00 0.00 C ATOM 1880 CD LYS A 121 9.781 -18.405 8.889 1.00 0.00 C ATOM 1881 CE LYS A 121 8.890 -17.933 10.028 1.00 0.00 C ATOM 1882 NZ LYS A 121 7.717 -17.162 9.532 1.00 0.00 N ATOM 0 H LYS A 121 10.872 -22.844 8.033 1.00 0.00 H new ATOM 0 HA LYS A 121 12.191 -21.427 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 121 9.561 -21.018 8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 121 9.650 -20.687 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 121 11.309 -18.987 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.620 -19.478 8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 121 10.265 -17.546 8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.171 -18.882 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.543 -18.795 10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.471 -17.312 10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.135 -16.858 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.047 -16.326 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.148 -17.762 8.901 1.00 0.00 H new ATOM 1896 N SER A 122 9.791 -23.708 10.266 1.00 0.00 N ATOM 1897 CA SER A 122 9.196 -24.783 11.050 1.00 0.00 C ATOM 1898 C SER A 122 10.250 -25.812 11.449 1.00 0.00 C ATOM 1899 O SER A 122 11.209 -26.052 10.716 1.00 0.00 O ATOM 1900 CB SER A 122 8.078 -25.463 10.256 1.00 0.00 C ATOM 1901 OG SER A 122 7.210 -26.185 11.114 1.00 0.00 O ATOM 0 H SER A 122 9.402 -23.604 9.329 1.00 0.00 H new ATOM 0 HA SER A 122 8.776 -24.348 11.957 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.510 -24.713 9.706 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.511 -26.139 9.518 1.00 0.00 H new ATOM 0 HG SER A 122 6.503 -26.609 10.583 1.00 0.00 H new ATOM 1907 N GLY A 123 10.064 -26.419 12.618 1.00 0.00 N ATOM 1908 CA GLY A 123 11.006 -27.414 13.095 1.00 0.00 C ATOM 1909 C GLY A 123 11.926 -26.873 14.171 1.00 0.00 C ATOM 1910 O GLY A 123 13.048 -26.445 13.900 1.00 0.00 O ATOM 0 H GLY A 123 9.278 -26.239 13.242 1.00 0.00 H new ATOM 0 HA2 GLY A 123 10.458 -28.270 13.487 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.604 -27.775 12.258 1.00 0.00 H new ATOM 1914 N PRO A 124 11.449 -26.886 15.424 1.00 0.00 N ATOM 1915 CA PRO A 124 12.220 -26.395 16.571 1.00 0.00 C ATOM 1916 C PRO A 124 13.401 -27.300 16.906 1.00 0.00 C ATOM 1917 O PRO A 124 13.225 -28.388 17.454 1.00 0.00 O ATOM 1918 CB PRO A 124 11.202 -26.400 17.712 1.00 0.00 C ATOM 1919 CG PRO A 124 10.199 -27.429 17.321 1.00 0.00 C ATOM 1920 CD PRO A 124 10.120 -27.381 15.820 1.00 0.00 C ATOM 0 HA PRO A 124 12.658 -25.416 16.378 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.674 -26.649 18.662 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.738 -25.421 17.833 1.00 0.00 H new ATOM 0 HG2 PRO A 124 10.501 -28.418 17.664 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.228 -27.218 17.770 1.00 0.00 H new ATOM 0 HD2 PRO A 124 9.915 -28.364 15.397 1.00 0.00 H new ATOM 0 HD3 PRO A 124 9.326 -26.716 15.480 1.00 0.00 H new ATOM 1928 N SER A 125 14.604 -26.844 16.573 1.00 0.00 N ATOM 1929 CA SER A 125 15.813 -27.615 16.836 1.00 0.00 C ATOM 1930 C SER A 125 16.004 -27.833 18.334 1.00 0.00 C ATOM 1931 O SER A 125 15.401 -27.141 19.154 1.00 0.00 O ATOM 1932 CB SER A 125 17.035 -26.901 16.252 1.00 0.00 C ATOM 1933 OG SER A 125 17.114 -27.090 14.850 1.00 0.00 O ATOM 0 H SER A 125 14.767 -25.945 16.121 1.00 0.00 H new ATOM 0 HA SER A 125 15.706 -28.588 16.357 1.00 0.00 H new ATOM 0 HB2 SER A 125 16.979 -25.836 16.476 1.00 0.00 H new ATOM 0 HB3 SER A 125 17.941 -27.279 16.725 1.00 0.00 H new ATOM 0 HG SER A 125 17.902 -26.623 14.501 1.00 0.00 H new ATOM 1939 N SER A 126 16.848 -28.799 18.682 1.00 0.00 N ATOM 1940 CA SER A 126 17.116 -29.111 20.082 1.00 0.00 C ATOM 1941 C SER A 126 17.660 -27.890 20.816 1.00 0.00 C ATOM 1942 O SER A 126 17.181 -27.534 21.892 1.00 0.00 O ATOM 1943 CB SER A 126 18.111 -30.269 20.185 1.00 0.00 C ATOM 1944 OG SER A 126 19.346 -29.935 19.575 1.00 0.00 O ATOM 0 H SER A 126 17.358 -29.379 18.015 1.00 0.00 H new ATOM 0 HA SER A 126 16.177 -29.405 20.551 1.00 0.00 H new ATOM 0 HB2 SER A 126 18.275 -30.520 21.233 1.00 0.00 H new ATOM 0 HB3 SER A 126 17.693 -31.155 19.707 1.00 0.00 H new ATOM 0 HG SER A 126 19.965 -30.690 19.655 1.00 0.00 H new ATOM 1950 N GLY A 127 18.666 -27.251 20.226 1.00 0.00 N ATOM 1951 CA GLY A 127 19.258 -26.076 20.837 1.00 0.00 C ATOM 1952 C GLY A 127 20.757 -26.213 21.021 1.00 0.00 C ATOM 1953 O GLY A 127 21.519 -25.317 20.656 1.00 0.00 O ATOM 0 H GLY A 127 19.081 -27.526 19.336 1.00 0.00 H new ATOM 0 HA2 GLY A 127 19.049 -25.204 20.218 1.00 0.00 H new ATOM 0 HA3 GLY A 127 18.790 -25.899 21.806 1.00 0.00 H new TER 1957 GLY A 127