USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 786 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 38 MET CE :methyl 155:sc= -13.6! (180deg=-14.2!) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -8.76! C(o=-27!,f=-22!) USER MOD Set 2.1: A 27 GLN : amide:sc= -1.31 K(o=-2.4,f=-4.3) USER MOD Set 2.2: A 31 GLN :FLIP amide:sc= -0.527 F(o=-5.2!,f=-2.4) USER MOD Set 2.3: A 105 MET CE :methyl -124:sc= -0.547 (180deg=0) USER MOD Set 3.1: A 16 GLN :FLIP amide:sc= -6.55! C(o=-17!,f=-16!) USER MOD Set 3.2: A 19 GLN : amide:sc= -9.12! C(o=-16!,f=-17!) USER MOD Single : A 1 SER N :NH3+ 142:sc= 0.0294 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -1.65 USER MOD Single : A 23 THR OG1 : rot -176:sc= 0.228 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -76:sc= 0.472 USER MOD Single : A 36 SER OG : rot -19:sc= 0.0865 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.521 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc=-0.00751 (180deg=-0.151) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 54 GLN : amide:sc= -13.6! C(o=-14!,f=-16!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.139 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= -0.611 (180deg=-0.851) USER MOD Single : A 71 GLN :FLIP amide:sc= -5.64! C(o=-6.9!,f=-5.6!) USER MOD Single : A 72 SER OG : rot 3:sc= 0.128 USER MOD Single : A 78 THR OG1 : rot -160:sc= 0.41 USER MOD Single : A 80 SER OG : rot 140:sc= -2.56! USER MOD Single : A 82 THR OG1 : rot -92:sc= 0.13 USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= -0.0238 (180deg=-0.207) USER MOD Single : A 84 SER OG : rot 135:sc= -0.354! USER MOD Single : A 86 MET CE :methyl 171:sc= -2.24 (180deg=-2.6) USER MOD Single : A 91 ASN :FLIP amide:sc= -4.08! C(o=-5.5!,f=-4.1!) USER MOD Single : A 96 LYS NZ :NH3+ 139:sc= 0.0502 (180deg=-4.26!) USER MOD Single : A 103 GLN : amide:sc= -4.68! C(o=-4.7!,f=-4.8!) USER MOD Single : A 107 HIS : no HD1:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 108 SER OG : rot -87:sc= 0.537 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.637 -9.816 -8.347 1.00 0.00 N ATOM 2 CA SER A 1 2.157 -8.412 -8.280 1.00 0.00 C ATOM 3 C SER A 1 3.167 -7.523 -7.564 1.00 0.00 C ATOM 4 O SER A 1 3.874 -7.973 -6.663 1.00 0.00 O ATOM 5 CB SER A 1 0.809 -8.349 -7.558 1.00 0.00 C ATOM 6 OG SER A 1 -0.178 -9.090 -8.254 1.00 0.00 O ATOM 0 H1 SER A 1 1.835 -10.464 -8.211 1.00 0.00 H new ATOM 0 H2 SER A 1 3.070 -9.991 -9.276 1.00 0.00 H new ATOM 0 H3 SER A 1 3.343 -9.978 -7.600 1.00 0.00 H new ATOM 0 HA SER A 1 2.037 -8.047 -9.300 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.916 -8.741 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.491 -7.311 -7.466 1.00 0.00 H new ATOM 0 HG SER A 1 -1.029 -9.035 -7.771 1.00 0.00 H new ATOM 14 N ILE A 2 3.247 -6.267 -8.001 1.00 0.00 N ATOM 15 CA ILE A 2 4.160 -5.288 -7.415 1.00 0.00 C ATOM 16 C ILE A 2 5.577 -5.476 -7.939 1.00 0.00 C ATOM 17 O ILE A 2 6.144 -4.551 -8.509 1.00 0.00 O ATOM 18 CB ILE A 2 4.104 -5.296 -5.850 1.00 0.00 C ATOM 19 CG1 ILE A 2 3.274 -4.122 -5.371 1.00 0.00 C ATOM 20 CG2 ILE A 2 5.481 -5.259 -5.183 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.860 -4.234 -3.938 1.00 0.00 C ATOM 0 H ILE A 2 2.683 -5.901 -8.768 1.00 0.00 H new ATOM 0 HA ILE A 2 3.826 -4.299 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 2 3.648 -6.242 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.845 -3.203 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.383 -4.038 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.361 -5.267 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.058 -6.131 -5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.006 -4.352 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.269 -3.361 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.262 -5.135 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.747 -4.288 -3.306 1.00 0.00 H new ATOM 33 N THR A 3 6.121 -6.678 -7.765 1.00 0.00 N ATOM 34 CA THR A 3 7.483 -7.019 -8.189 1.00 0.00 C ATOM 35 C THR A 3 8.407 -5.795 -8.395 1.00 0.00 C ATOM 36 O THR A 3 8.495 -4.952 -7.517 1.00 0.00 O ATOM 37 CB THR A 3 7.454 -7.934 -9.432 1.00 0.00 C ATOM 38 OG1 THR A 3 6.730 -7.304 -10.495 1.00 0.00 O ATOM 39 CG2 THR A 3 6.811 -9.273 -9.091 1.00 0.00 C ATOM 0 H THR A 3 5.627 -7.452 -7.322 1.00 0.00 H new ATOM 0 HA THR A 3 7.930 -7.569 -7.361 1.00 0.00 H new ATOM 0 HB THR A 3 8.480 -8.108 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.720 -7.893 -11.278 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.798 -9.907 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.385 -9.762 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.790 -9.109 -8.747 1.00 0.00 H new ATOM 47 N ASP A 4 9.041 -5.671 -9.567 1.00 0.00 N ATOM 48 CA ASP A 4 9.995 -4.591 -9.839 1.00 0.00 C ATOM 49 C ASP A 4 11.340 -4.947 -9.209 1.00 0.00 C ATOM 50 O ASP A 4 12.209 -5.494 -9.889 1.00 0.00 O ATOM 51 CB ASP A 4 9.503 -3.220 -9.358 1.00 0.00 C ATOM 52 CG ASP A 4 8.185 -2.827 -10.000 1.00 0.00 C ATOM 53 OD1 ASP A 4 8.123 -2.787 -11.248 1.00 0.00 O ATOM 54 OD2 ASP A 4 7.220 -2.553 -9.260 1.00 0.00 O ATOM 0 H ASP A 4 8.908 -6.313 -10.349 1.00 0.00 H new ATOM 0 HA ASP A 4 10.102 -4.501 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.387 -3.237 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.256 -2.465 -9.586 1.00 0.00 H new ATOM 59 N ILE A 5 11.527 -4.658 -7.915 1.00 0.00 N ATOM 60 CA ILE A 5 12.782 -5.031 -7.262 1.00 0.00 C ATOM 61 C ILE A 5 12.562 -5.465 -5.809 1.00 0.00 C ATOM 62 O ILE A 5 12.647 -4.663 -4.888 1.00 0.00 O ATOM 63 CB ILE A 5 13.737 -3.823 -7.259 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.850 -3.228 -8.654 1.00 0.00 C ATOM 65 CG2 ILE A 5 15.103 -4.192 -6.716 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.827 -2.147 -8.930 1.00 0.00 C ATOM 0 H ILE A 5 10.849 -4.183 -7.319 1.00 0.00 H new ATOM 0 HA ILE A 5 13.204 -5.867 -7.819 1.00 0.00 H new ATOM 0 HB ILE A 5 13.316 -3.069 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.850 -2.814 -8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.736 -4.023 -9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.749 -3.314 -6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 5 15.002 -4.553 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.541 -4.975 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.964 -1.766 -9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.824 -2.562 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.955 -1.334 -8.216 1.00 0.00 H new ATOM 78 N LEU A 6 12.288 -6.751 -5.630 1.00 0.00 N ATOM 79 CA LEU A 6 12.111 -7.327 -4.305 1.00 0.00 C ATOM 80 C LEU A 6 11.869 -8.842 -4.338 1.00 0.00 C ATOM 81 O LEU A 6 11.644 -9.416 -5.403 1.00 0.00 O ATOM 82 CB LEU A 6 11.057 -6.575 -3.520 1.00 0.00 C ATOM 83 CG LEU A 6 9.704 -6.364 -4.172 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.757 -5.315 -5.265 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.186 -7.672 -4.697 1.00 0.00 C ATOM 0 H LEU A 6 12.183 -7.419 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 6 13.054 -7.205 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.897 -7.105 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.463 -5.596 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 6 9.016 -5.988 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.766 -5.197 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.082 -4.365 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.461 -5.628 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.214 -7.517 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.884 -8.070 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.084 -8.380 -3.874 1.00 0.00 H new ATOM 97 N SER A 7 11.917 -9.485 -3.166 1.00 0.00 N ATOM 98 CA SER A 7 11.693 -10.933 -3.073 1.00 0.00 C ATOM 99 C SER A 7 10.235 -11.282 -3.365 1.00 0.00 C ATOM 100 O SER A 7 9.327 -10.882 -2.637 1.00 0.00 O ATOM 101 CB SER A 7 12.056 -11.449 -1.681 1.00 0.00 C ATOM 102 OG SER A 7 13.348 -11.014 -1.291 1.00 0.00 O ATOM 0 H SER A 7 12.108 -9.030 -2.273 1.00 0.00 H new ATOM 0 HA SER A 7 12.332 -11.409 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.319 -11.100 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.019 -12.538 -1.674 1.00 0.00 H new ATOM 0 HG SER A 7 13.553 -11.358 -0.396 1.00 0.00 H new ATOM 108 N ALA A 8 10.029 -12.034 -4.441 1.00 0.00 N ATOM 109 CA ALA A 8 8.694 -12.443 -4.869 1.00 0.00 C ATOM 110 C ALA A 8 7.988 -13.349 -3.859 1.00 0.00 C ATOM 111 O ALA A 8 6.823 -13.130 -3.530 1.00 0.00 O ATOM 112 CB ALA A 8 8.770 -13.129 -6.224 1.00 0.00 C ATOM 0 H ALA A 8 10.780 -12.377 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 8 8.096 -11.535 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.770 -13.431 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.186 -12.439 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.408 -14.009 -6.151 1.00 0.00 H new ATOM 118 N GLU A 9 8.688 -14.378 -3.379 1.00 0.00 N ATOM 119 CA GLU A 9 8.093 -15.333 -2.447 1.00 0.00 C ATOM 120 C GLU A 9 7.683 -14.671 -1.143 1.00 0.00 C ATOM 121 O GLU A 9 6.537 -14.792 -0.707 1.00 0.00 O ATOM 122 CB GLU A 9 9.085 -16.455 -2.161 1.00 0.00 C ATOM 123 CG GLU A 9 9.393 -17.301 -3.375 1.00 0.00 C ATOM 124 CD GLU A 9 8.182 -18.057 -3.883 1.00 0.00 C ATOM 125 OE1 GLU A 9 7.824 -19.085 -3.271 1.00 0.00 O ATOM 126 OE2 GLU A 9 7.589 -17.621 -4.892 1.00 0.00 O ATOM 0 H GLU A 9 9.661 -14.570 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 9 7.194 -15.737 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.012 -16.024 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.685 -17.093 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.777 -16.662 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.182 -18.011 -3.127 1.00 0.00 H new ATOM 133 N ASP A 10 8.619 -13.974 -0.520 1.00 0.00 N ATOM 134 CA ASP A 10 8.332 -13.278 0.721 1.00 0.00 C ATOM 135 C ASP A 10 7.153 -12.348 0.567 1.00 0.00 C ATOM 136 O ASP A 10 6.462 -12.061 1.538 1.00 0.00 O ATOM 137 CB ASP A 10 9.563 -12.498 1.180 1.00 0.00 C ATOM 138 CG ASP A 10 10.669 -13.403 1.686 1.00 0.00 C ATOM 139 OD1 ASP A 10 10.550 -13.907 2.824 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.655 -13.606 0.948 1.00 0.00 O ATOM 0 H ASP A 10 9.579 -13.876 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 10 8.076 -14.022 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.939 -11.899 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.276 -11.804 1.970 1.00 0.00 H new ATOM 145 N ILE A 11 6.889 -11.916 -0.652 1.00 0.00 N ATOM 146 CA ILE A 11 5.783 -11.012 -0.883 1.00 0.00 C ATOM 147 C ILE A 11 4.464 -11.737 -0.623 1.00 0.00 C ATOM 148 O ILE A 11 3.578 -11.214 0.054 1.00 0.00 O ATOM 149 CB ILE A 11 5.867 -10.419 -2.313 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.544 -9.046 -2.248 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.508 -10.326 -3.012 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.573 -8.312 -3.568 1.00 0.00 C ATOM 0 H ILE A 11 7.418 -12.173 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 11 5.836 -10.173 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 11 6.462 -11.103 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.025 -8.431 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.566 -9.173 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.639 -9.903 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.073 -11.322 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.843 -9.687 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.068 -7.350 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.119 -8.905 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.553 -8.151 -3.917 1.00 0.00 H new ATOM 164 N ALA A 12 4.341 -12.942 -1.165 1.00 0.00 N ATOM 165 CA ALA A 12 3.136 -13.725 -0.969 1.00 0.00 C ATOM 166 C ALA A 12 2.905 -13.942 0.506 1.00 0.00 C ATOM 167 O ALA A 12 1.826 -13.668 1.012 1.00 0.00 O ATOM 168 CB ALA A 12 3.239 -15.061 -1.676 1.00 0.00 C ATOM 0 H ALA A 12 5.055 -13.392 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 12 2.295 -13.177 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.323 -15.630 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.381 -14.897 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.087 -15.618 -1.279 1.00 0.00 H new ATOM 174 N ALA A 13 3.931 -14.418 1.196 1.00 0.00 N ATOM 175 CA ALA A 13 3.818 -14.647 2.629 1.00 0.00 C ATOM 176 C ALA A 13 3.597 -13.325 3.342 1.00 0.00 C ATOM 177 O ALA A 13 2.658 -13.163 4.122 1.00 0.00 O ATOM 178 CB ALA A 13 5.060 -15.338 3.163 1.00 0.00 C ATOM 0 H ALA A 13 4.839 -14.650 0.794 1.00 0.00 H new ATOM 0 HA ALA A 13 2.964 -15.299 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.954 -15.499 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.186 -16.298 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.933 -14.713 2.975 1.00 0.00 H new ATOM 184 N ALA A 14 4.488 -12.380 3.057 1.00 0.00 N ATOM 185 CA ALA A 14 4.402 -11.048 3.642 1.00 0.00 C ATOM 186 C ALA A 14 2.982 -10.512 3.518 1.00 0.00 C ATOM 187 O ALA A 14 2.447 -9.914 4.452 1.00 0.00 O ATOM 188 CB ALA A 14 5.381 -10.102 2.959 1.00 0.00 C ATOM 0 H ALA A 14 5.277 -12.513 2.425 1.00 0.00 H new ATOM 0 HA ALA A 14 4.664 -11.115 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.304 -9.112 3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.397 -10.478 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.144 -10.038 1.897 1.00 0.00 H new ATOM 194 N LEU A 15 2.377 -10.732 2.358 1.00 0.00 N ATOM 195 CA LEU A 15 1.009 -10.304 2.123 1.00 0.00 C ATOM 196 C LEU A 15 0.029 -11.240 2.821 1.00 0.00 C ATOM 197 O LEU A 15 -0.742 -10.827 3.679 1.00 0.00 O ATOM 198 CB LEU A 15 0.707 -10.273 0.622 1.00 0.00 C ATOM 199 CG LEU A 15 -0.585 -9.546 0.215 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.747 -9.559 -1.297 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.805 -10.166 0.881 1.00 0.00 C ATOM 0 H LEU A 15 2.814 -11.205 1.567 1.00 0.00 H new ATOM 0 HA LEU A 15 0.894 -9.300 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.545 -9.798 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.653 -11.300 0.260 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.506 -8.513 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.666 -9.040 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.103 -9.056 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.794 -10.590 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.701 -9.628 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.889 -11.212 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.700 -10.103 1.964 1.00 0.00 H new ATOM 213 N GLN A 16 0.106 -12.519 2.459 1.00 0.00 N ATOM 214 CA GLN A 16 -0.792 -13.560 2.956 1.00 0.00 C ATOM 215 C GLN A 16 -0.654 -13.861 4.447 1.00 0.00 C ATOM 216 O GLN A 16 -1.419 -14.663 4.982 1.00 0.00 O ATOM 217 CB GLN A 16 -0.507 -14.845 2.190 1.00 0.00 C ATOM 218 CG GLN A 16 -1.091 -14.897 0.785 1.00 0.00 C ATOM 219 CD GLN A 16 -1.624 -13.576 0.254 1.00 0.00 C ATOM 220 OE1 GLN A 16 -0.800 -12.861 -0.499 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -2.774 -13.213 0.505 1.00 0.00 N flip ATOM 0 H GLN A 16 0.805 -12.867 1.802 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.805 -13.187 2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.573 -14.980 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.899 -15.686 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.322 -15.260 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.900 -15.628 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.376 -13.793 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.124 -12.332 0.129 1.00 0.00 H new ATOM 230 N GLU A 17 0.299 -13.242 5.128 1.00 0.00 N ATOM 231 CA GLU A 17 0.519 -13.572 6.531 1.00 0.00 C ATOM 232 C GLU A 17 -0.670 -13.220 7.421 1.00 0.00 C ATOM 233 O GLU A 17 -1.406 -14.103 7.862 1.00 0.00 O ATOM 234 CB GLU A 17 1.772 -12.846 7.035 1.00 0.00 C ATOM 235 CG GLU A 17 1.986 -12.939 8.536 1.00 0.00 C ATOM 236 CD GLU A 17 3.206 -12.164 8.997 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.324 -12.714 8.919 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.042 -11.006 9.435 1.00 0.00 O ATOM 0 H GLU A 17 0.918 -12.527 4.746 1.00 0.00 H new ATOM 0 HA GLU A 17 0.650 -14.653 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.645 -13.258 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.707 -11.795 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.103 -12.560 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.095 -13.986 8.820 1.00 0.00 H new ATOM 245 N CYS A 18 -0.854 -11.938 7.682 1.00 0.00 N ATOM 246 CA CYS A 18 -1.936 -11.457 8.534 1.00 0.00 C ATOM 247 C CYS A 18 -3.044 -10.767 7.746 1.00 0.00 C ATOM 248 O CYS A 18 -4.001 -10.274 8.338 1.00 0.00 O ATOM 249 CB CYS A 18 -1.373 -10.503 9.582 1.00 0.00 C ATOM 250 SG CYS A 18 -2.494 -10.175 10.961 1.00 0.00 S ATOM 0 H CYS A 18 -0.259 -11.197 7.311 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.383 -12.327 9.015 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.444 -10.918 9.974 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.122 -9.558 9.100 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.926 -9.357 11.797 1.00 0.00 H new ATOM 256 N GLN A 19 -2.934 -10.755 6.421 1.00 0.00 N ATOM 257 CA GLN A 19 -3.880 -10.013 5.587 1.00 0.00 C ATOM 258 C GLN A 19 -5.326 -10.204 6.029 1.00 0.00 C ATOM 259 O GLN A 19 -5.738 -11.276 6.472 1.00 0.00 O ATOM 260 CB GLN A 19 -3.739 -10.446 4.132 1.00 0.00 C ATOM 261 CG GLN A 19 -4.755 -9.809 3.196 1.00 0.00 C ATOM 262 CD GLN A 19 -4.647 -10.344 1.779 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.305 -11.509 1.574 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.929 -9.499 0.790 1.00 0.00 N ATOM 0 H GLN A 19 -2.206 -11.246 5.903 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.638 -8.956 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.736 -10.198 3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.837 -11.530 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.760 -9.992 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.610 -8.729 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.209 -8.541 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.865 -9.809 -0.180 1.00 0.00 H new ATOM 273 N ASP A 20 -6.077 -9.116 5.890 1.00 0.00 N ATOM 274 CA ASP A 20 -7.481 -9.066 6.276 1.00 0.00 C ATOM 275 C ASP A 20 -7.995 -7.633 6.172 1.00 0.00 C ATOM 276 O ASP A 20 -7.232 -6.718 5.859 1.00 0.00 O ATOM 277 CB ASP A 20 -7.654 -9.592 7.701 1.00 0.00 C ATOM 278 CG ASP A 20 -8.457 -10.877 7.755 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.072 -11.847 7.069 1.00 0.00 O ATOM 280 OD2 ASP A 20 -9.469 -10.916 8.486 1.00 0.00 O ATOM 0 H ASP A 20 -5.726 -8.240 5.504 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.059 -9.697 5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.672 -9.763 8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.149 -8.833 8.307 1.00 0.00 H new ATOM 285 N PRO A 21 -9.292 -7.413 6.434 1.00 0.00 N ATOM 286 CA PRO A 21 -9.891 -6.084 6.376 1.00 0.00 C ATOM 287 C PRO A 21 -9.642 -5.263 7.638 1.00 0.00 C ATOM 288 O PRO A 21 -10.576 -4.690 8.195 1.00 0.00 O ATOM 289 CB PRO A 21 -11.370 -6.405 6.238 1.00 0.00 C ATOM 290 CG PRO A 21 -11.545 -7.657 7.009 1.00 0.00 C ATOM 291 CD PRO A 21 -10.287 -8.442 6.786 1.00 0.00 C ATOM 0 HA PRO A 21 -9.476 -5.478 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.990 -5.602 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.653 -6.538 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.695 -7.448 8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.419 -8.210 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.995 -8.993 7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.407 -9.173 5.986 1.00 0.00 H new ATOM 299 N ASP A 22 -8.378 -5.199 8.073 1.00 0.00 N ATOM 300 CA ASP A 22 -8.005 -4.442 9.288 1.00 0.00 C ATOM 301 C ASP A 22 -6.637 -4.840 9.875 1.00 0.00 C ATOM 302 O ASP A 22 -6.227 -4.281 10.893 1.00 0.00 O ATOM 303 CB ASP A 22 -9.058 -4.625 10.389 1.00 0.00 C ATOM 304 CG ASP A 22 -9.451 -6.077 10.577 1.00 0.00 C ATOM 305 OD1 ASP A 22 -8.748 -6.790 11.323 1.00 0.00 O ATOM 306 OD2 ASP A 22 -10.463 -6.500 9.980 1.00 0.00 O ATOM 0 H ASP A 22 -7.595 -5.658 7.608 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.946 -3.403 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.669 -4.232 11.329 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.944 -4.041 10.141 1.00 0.00 H new ATOM 311 N THR A 23 -5.928 -5.785 9.262 1.00 0.00 N ATOM 312 CA THR A 23 -4.641 -6.225 9.788 1.00 0.00 C ATOM 313 C THR A 23 -3.448 -5.490 9.184 1.00 0.00 C ATOM 314 O THR A 23 -2.558 -5.076 9.918 1.00 0.00 O ATOM 315 CB THR A 23 -4.456 -7.717 9.517 1.00 0.00 C ATOM 316 OG1 THR A 23 -4.508 -7.954 8.105 1.00 0.00 O ATOM 317 CG2 THR A 23 -5.532 -8.530 10.213 1.00 0.00 C ATOM 0 H THR A 23 -6.221 -6.257 8.407 1.00 0.00 H new ATOM 0 HA THR A 23 -4.664 -6.004 10.855 1.00 0.00 H new ATOM 0 HB THR A 23 -3.486 -8.025 9.908 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.447 -8.917 7.932 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.379 -9.589 10.005 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.478 -8.360 11.288 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.512 -8.226 9.846 1.00 0.00 H new ATOM 325 N PHE A 24 -3.475 -5.308 7.857 1.00 0.00 N ATOM 326 CA PHE A 24 -2.390 -4.658 7.085 1.00 0.00 C ATOM 327 C PHE A 24 -2.124 -5.413 5.789 1.00 0.00 C ATOM 328 O PHE A 24 -1.156 -6.165 5.692 1.00 0.00 O ATOM 329 CB PHE A 24 -1.054 -4.558 7.846 1.00 0.00 C ATOM 330 CG PHE A 24 -0.866 -3.269 8.604 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.904 -2.048 7.943 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.635 -3.276 9.971 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.721 -0.865 8.634 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.453 -2.095 10.665 1.00 0.00 C ATOM 335 CZ PHE A 24 -0.495 -0.889 9.996 1.00 0.00 C ATOM 0 H PHE A 24 -4.257 -5.609 7.276 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.750 -3.647 6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.985 -5.391 8.546 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.235 -4.670 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.078 -2.023 6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.597 -4.217 10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.755 0.078 8.109 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.278 -2.116 11.731 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.351 0.035 10.537 1.00 0.00 H new ATOM 345 N GLU A 25 -2.981 -5.220 4.801 1.00 0.00 N ATOM 346 CA GLU A 25 -2.805 -5.868 3.508 1.00 0.00 C ATOM 347 C GLU A 25 -1.694 -5.187 2.695 1.00 0.00 C ATOM 348 O GLU A 25 -0.842 -5.859 2.114 1.00 0.00 O ATOM 349 CB GLU A 25 -4.132 -5.860 2.733 1.00 0.00 C ATOM 350 CG GLU A 25 -3.970 -6.007 1.231 1.00 0.00 C ATOM 351 CD GLU A 25 -3.195 -7.246 0.837 1.00 0.00 C ATOM 352 OE1 GLU A 25 -2.347 -7.693 1.635 1.00 0.00 O ATOM 353 OE2 GLU A 25 -3.434 -7.767 -0.272 1.00 0.00 O ATOM 0 H GLU A 25 -3.804 -4.622 4.867 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.503 -6.902 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.761 -6.670 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.658 -4.928 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.956 -6.039 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.461 -5.127 0.838 1.00 0.00 H new ATOM 360 N PRO A 26 -1.685 -3.848 2.649 1.00 0.00 N ATOM 361 CA PRO A 26 -0.697 -3.104 1.882 1.00 0.00 C ATOM 362 C PRO A 26 0.678 -2.992 2.537 1.00 0.00 C ATOM 363 O PRO A 26 1.663 -3.543 2.051 1.00 0.00 O ATOM 364 CB PRO A 26 -1.298 -1.716 1.751 1.00 0.00 C ATOM 365 CG PRO A 26 -2.436 -1.629 2.698 1.00 0.00 C ATOM 366 CD PRO A 26 -2.636 -2.968 3.333 1.00 0.00 C ATOM 0 HA PRO A 26 -0.508 -3.620 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.553 -0.953 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.635 -1.540 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.236 -0.876 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.341 -1.321 2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.442 -2.931 4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.661 -3.317 3.207 1.00 0.00 H new ATOM 374 N GLN A 27 0.726 -2.264 3.640 1.00 0.00 N ATOM 375 CA GLN A 27 1.959 -1.992 4.354 1.00 0.00 C ATOM 376 C GLN A 27 2.706 -3.254 4.830 1.00 0.00 C ATOM 377 O GLN A 27 3.937 -3.273 4.828 1.00 0.00 O ATOM 378 CB GLN A 27 1.622 -1.026 5.499 1.00 0.00 C ATOM 379 CG GLN A 27 2.412 -1.215 6.775 1.00 0.00 C ATOM 380 CD GLN A 27 2.540 0.070 7.575 1.00 0.00 C ATOM 381 OE1 GLN A 27 3.526 0.277 8.281 1.00 0.00 O ATOM 382 NE2 GLN A 27 1.537 0.944 7.472 1.00 0.00 N ATOM 0 H GLN A 27 -0.098 -1.842 4.068 1.00 0.00 H new ATOM 0 HA GLN A 27 2.672 -1.533 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.777 -0.006 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.562 -1.125 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.928 -1.975 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.407 -1.588 6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.737 0.734 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.570 1.822 7.990 1.00 0.00 H new ATOM 391 N LYS A 28 1.988 -4.294 5.236 1.00 0.00 N ATOM 392 CA LYS A 28 2.649 -5.516 5.709 1.00 0.00 C ATOM 393 C LYS A 28 3.383 -6.193 4.560 1.00 0.00 C ATOM 394 O LYS A 28 4.510 -6.667 4.708 1.00 0.00 O ATOM 395 CB LYS A 28 1.631 -6.486 6.306 1.00 0.00 C ATOM 396 CG LYS A 28 2.252 -7.750 6.864 1.00 0.00 C ATOM 397 CD LYS A 28 2.404 -7.679 8.374 1.00 0.00 C ATOM 398 CE LYS A 28 3.175 -6.441 8.801 1.00 0.00 C ATOM 399 NZ LYS A 28 3.333 -6.368 10.280 1.00 0.00 N ATOM 0 H LYS A 28 0.969 -4.323 5.250 1.00 0.00 H new ATOM 0 HA LYS A 28 3.364 -5.237 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.082 -5.980 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.905 -6.756 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.633 -8.607 6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.228 -7.909 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.418 -7.673 8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.920 -8.571 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.158 -6.445 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.656 -5.550 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.864 -5.510 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.395 -6.338 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.850 -7.205 10.616 1.00 0.00 H new ATOM 413 N PHE A 29 2.723 -6.222 3.418 1.00 0.00 N ATOM 414 CA PHE A 29 3.266 -6.812 2.205 1.00 0.00 C ATOM 415 C PHE A 29 4.660 -6.277 1.928 1.00 0.00 C ATOM 416 O PHE A 29 5.600 -7.025 1.689 1.00 0.00 O ATOM 417 CB PHE A 29 2.325 -6.439 1.047 1.00 0.00 C ATOM 418 CG PHE A 29 2.747 -6.866 -0.338 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.953 -6.465 -0.900 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.898 -7.649 -1.094 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.293 -6.844 -2.184 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.233 -8.034 -2.375 1.00 0.00 C ATOM 423 CZ PHE A 29 3.430 -7.629 -2.921 1.00 0.00 C ATOM 0 H PHE A 29 1.787 -5.834 3.303 1.00 0.00 H new ATOM 0 HA PHE A 29 3.339 -7.894 2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.346 -6.872 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.201 -5.356 1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.632 -5.851 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.954 -7.966 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.233 -6.526 -2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.558 -8.652 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.694 -7.925 -3.926 1.00 0.00 H new ATOM 433 N PHE A 30 4.764 -4.966 1.983 1.00 0.00 N ATOM 434 CA PHE A 30 6.002 -4.262 1.679 1.00 0.00 C ATOM 435 C PHE A 30 7.099 -4.532 2.697 1.00 0.00 C ATOM 436 O PHE A 30 8.161 -5.044 2.362 1.00 0.00 O ATOM 437 CB PHE A 30 5.715 -2.765 1.600 1.00 0.00 C ATOM 438 CG PHE A 30 4.410 -2.472 0.926 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.024 -3.202 -0.183 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.556 -1.503 1.419 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.810 -2.972 -0.789 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.340 -1.263 0.811 1.00 0.00 C ATOM 443 CZ PHE A 30 1.969 -2.003 -0.294 1.00 0.00 C ATOM 0 H PHE A 30 3.992 -4.352 2.240 1.00 0.00 H new ATOM 0 HA PHE A 30 6.369 -4.632 0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.704 -2.346 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.521 -2.271 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.683 -3.961 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.843 -0.929 2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.518 -3.552 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.682 -0.499 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.017 -1.821 -0.770 1.00 0.00 H new ATOM 453 N GLN A 31 6.804 -4.240 3.948 1.00 0.00 N ATOM 454 CA GLN A 31 7.763 -4.365 5.019 1.00 0.00 C ATOM 455 C GLN A 31 8.389 -5.742 5.120 1.00 0.00 C ATOM 456 O GLN A 31 9.587 -5.909 4.894 1.00 0.00 O ATOM 457 CB GLN A 31 7.057 -4.042 6.329 1.00 0.00 C ATOM 458 CG GLN A 31 6.458 -2.650 6.380 1.00 0.00 C ATOM 459 CD GLN A 31 7.476 -1.606 6.777 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.364 -1.285 5.852 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 7.487 -1.123 7.910 1.00 0.00 N flip ATOM 0 H GLN A 31 5.887 -3.908 4.248 1.00 0.00 H new ATOM 0 HA GLN A 31 8.577 -3.671 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.265 -4.773 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.767 -4.151 7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.044 -2.398 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.631 -2.638 7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.780 -1.402 8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.203 -0.444 8.168 1.00 0.00 H new ATOM 470 N THR A 32 7.583 -6.718 5.460 1.00 0.00 N ATOM 471 CA THR A 32 8.070 -8.075 5.636 1.00 0.00 C ATOM 472 C THR A 32 8.951 -8.532 4.475 1.00 0.00 C ATOM 473 O THR A 32 10.115 -8.885 4.667 1.00 0.00 O ATOM 474 CB THR A 32 6.899 -9.063 5.807 1.00 0.00 C ATOM 475 OG1 THR A 32 6.125 -8.706 6.957 1.00 0.00 O ATOM 476 CG2 THR A 32 7.401 -10.493 5.955 1.00 0.00 C ATOM 0 H THR A 32 6.583 -6.603 5.622 1.00 0.00 H new ATOM 0 HA THR A 32 8.678 -8.068 6.540 1.00 0.00 H new ATOM 0 HB THR A 32 6.278 -9.008 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.382 -9.336 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.552 -11.166 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.965 -10.774 5.066 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.045 -10.564 6.831 1.00 0.00 H new ATOM 484 N SER A 33 8.389 -8.521 3.275 1.00 0.00 N ATOM 485 CA SER A 33 9.093 -8.986 2.092 1.00 0.00 C ATOM 486 C SER A 33 10.058 -7.982 1.475 1.00 0.00 C ATOM 487 O SER A 33 11.260 -8.232 1.394 1.00 0.00 O ATOM 488 CB SER A 33 8.082 -9.411 1.033 1.00 0.00 C ATOM 489 OG SER A 33 7.281 -8.323 0.622 1.00 0.00 O ATOM 0 H SER A 33 7.440 -8.192 3.096 1.00 0.00 H new ATOM 0 HA SER A 33 9.706 -9.821 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.607 -9.825 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.447 -10.203 1.430 1.00 0.00 H new ATOM 0 HG SER A 33 6.616 -8.126 1.315 1.00 0.00 H new ATOM 495 N GLY A 34 9.524 -6.848 1.044 1.00 0.00 N ATOM 496 CA GLY A 34 10.347 -5.921 0.303 1.00 0.00 C ATOM 497 C GLY A 34 10.925 -4.712 1.027 1.00 0.00 C ATOM 498 O GLY A 34 12.136 -4.643 1.241 1.00 0.00 O ATOM 0 H GLY A 34 8.557 -6.559 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.181 -6.483 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.756 -5.552 -0.535 1.00 0.00 H new ATOM 502 N LEU A 35 10.061 -3.784 1.442 1.00 0.00 N ATOM 503 CA LEU A 35 10.488 -2.503 2.032 1.00 0.00 C ATOM 504 C LEU A 35 11.732 -2.595 2.916 1.00 0.00 C ATOM 505 O LEU A 35 12.577 -1.701 2.879 1.00 0.00 O ATOM 506 CB LEU A 35 9.341 -1.865 2.801 1.00 0.00 C ATOM 507 CG LEU A 35 8.866 -0.521 2.239 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.734 -0.578 0.717 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.542 -0.119 2.870 1.00 0.00 C ATOM 0 H LEU A 35 9.049 -3.893 1.381 1.00 0.00 H new ATOM 0 HA LEU A 35 10.772 -1.873 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.499 -2.557 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.650 -1.722 3.836 1.00 0.00 H new ATOM 0 HG LEU A 35 9.615 0.231 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.395 0.389 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.702 -0.818 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.011 -1.346 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.219 0.838 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.791 -0.879 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.666 -0.028 3.949 1.00 0.00 H new ATOM 521 N SER A 36 11.824 -3.643 3.718 1.00 0.00 N ATOM 522 CA SER A 36 12.973 -3.845 4.618 1.00 0.00 C ATOM 523 C SER A 36 14.308 -3.311 4.057 1.00 0.00 C ATOM 524 O SER A 36 15.172 -2.893 4.828 1.00 0.00 O ATOM 525 CB SER A 36 13.119 -5.330 4.945 1.00 0.00 C ATOM 526 OG SER A 36 13.320 -6.094 3.768 1.00 0.00 O ATOM 0 H SER A 36 11.118 -4.377 3.772 1.00 0.00 H new ATOM 0 HA SER A 36 12.759 -3.267 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.959 -5.475 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.226 -5.681 5.462 1.00 0.00 H new ATOM 0 HG SER A 36 13.027 -5.577 2.989 1.00 0.00 H new ATOM 532 N LYS A 37 14.486 -3.320 2.733 1.00 0.00 N ATOM 533 CA LYS A 37 15.741 -2.825 2.135 1.00 0.00 C ATOM 534 C LYS A 37 15.526 -1.945 0.887 1.00 0.00 C ATOM 535 O LYS A 37 16.413 -1.187 0.494 1.00 0.00 O ATOM 536 CB LYS A 37 16.637 -3.998 1.776 1.00 0.00 C ATOM 537 CG LYS A 37 16.017 -4.938 0.774 1.00 0.00 C ATOM 538 CD LYS A 37 17.011 -5.992 0.343 1.00 0.00 C ATOM 539 CE LYS A 37 16.949 -7.223 1.234 1.00 0.00 C ATOM 540 NZ LYS A 37 17.908 -8.275 0.798 1.00 0.00 N ATOM 0 H LYS A 37 13.796 -3.656 2.062 1.00 0.00 H new ATOM 0 HA LYS A 37 16.212 -2.193 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.577 -3.619 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.878 -4.553 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.140 -5.415 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.675 -4.377 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.811 -6.280 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.018 -5.575 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.167 -6.937 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.937 -7.628 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.834 -9.096 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.685 -8.567 -0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.877 -7.898 0.832 1.00 0.00 H new ATOM 554 N MET A 38 14.354 -2.056 0.282 1.00 0.00 N ATOM 555 CA MET A 38 13.999 -1.311 -0.933 1.00 0.00 C ATOM 556 C MET A 38 14.505 0.123 -0.950 1.00 0.00 C ATOM 557 O MET A 38 14.324 0.869 0.012 1.00 0.00 O ATOM 558 CB MET A 38 12.480 -1.262 -1.088 1.00 0.00 C ATOM 559 CG MET A 38 11.807 -2.588 -0.835 1.00 0.00 C ATOM 560 SD MET A 38 10.055 -2.580 -1.251 1.00 0.00 S ATOM 561 CE MET A 38 9.976 -3.992 -2.336 1.00 0.00 C ATOM 0 H MET A 38 13.611 -2.669 0.617 1.00 0.00 H new ATOM 0 HA MET A 38 14.480 -1.847 -1.751 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.076 -0.521 -0.398 1.00 0.00 H new ATOM 0 HB3 MET A 38 12.236 -0.926 -2.096 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.309 -3.361 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 38 11.924 -2.854 0.216 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.964 -4.398 -2.332 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.241 -3.688 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.674 -4.755 -1.992 1.00 0.00 H new ATOM 571 N SER A 39 15.143 0.503 -2.055 1.00 0.00 N ATOM 572 CA SER A 39 15.604 1.865 -2.234 1.00 0.00 C ATOM 573 C SER A 39 14.421 2.730 -2.645 1.00 0.00 C ATOM 574 O SER A 39 13.317 2.220 -2.835 1.00 0.00 O ATOM 575 CB SER A 39 16.705 1.941 -3.290 1.00 0.00 C ATOM 576 OG SER A 39 16.855 3.265 -3.775 1.00 0.00 O ATOM 0 H SER A 39 15.349 -0.119 -2.837 1.00 0.00 H new ATOM 0 HA SER A 39 16.024 2.226 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.647 1.598 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.467 1.272 -4.117 1.00 0.00 H new ATOM 0 HG SER A 39 17.567 3.288 -4.448 1.00 0.00 H new ATOM 582 N ALA A 40 14.640 4.025 -2.794 1.00 0.00 N ATOM 583 CA ALA A 40 13.557 4.923 -3.183 1.00 0.00 C ATOM 584 C ALA A 40 12.987 4.568 -4.562 1.00 0.00 C ATOM 585 O ALA A 40 11.773 4.551 -4.757 1.00 0.00 O ATOM 586 CB ALA A 40 14.007 6.376 -3.146 1.00 0.00 C ATOM 0 H ALA A 40 15.544 4.477 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 40 12.758 4.793 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.179 7.021 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.325 6.633 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.840 6.517 -3.835 1.00 0.00 H new ATOM 592 N SER A 41 13.872 4.277 -5.516 1.00 0.00 N ATOM 593 CA SER A 41 13.468 3.961 -6.885 1.00 0.00 C ATOM 594 C SER A 41 12.366 2.910 -6.951 1.00 0.00 C ATOM 595 O SER A 41 11.285 3.173 -7.475 1.00 0.00 O ATOM 596 CB SER A 41 14.678 3.482 -7.687 1.00 0.00 C ATOM 597 OG SER A 41 15.664 4.497 -7.778 1.00 0.00 O ATOM 0 H SER A 41 14.880 4.254 -5.363 1.00 0.00 H new ATOM 0 HA SER A 41 13.066 4.878 -7.315 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.105 2.597 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.362 3.187 -8.688 1.00 0.00 H new ATOM 0 HG SER A 41 16.428 4.165 -8.294 1.00 0.00 H new ATOM 603 N GLN A 42 12.636 1.725 -6.422 1.00 0.00 N ATOM 604 CA GLN A 42 11.644 0.649 -6.458 1.00 0.00 C ATOM 605 C GLN A 42 10.392 1.052 -5.694 1.00 0.00 C ATOM 606 O GLN A 42 9.284 0.644 -6.034 1.00 0.00 O ATOM 607 CB GLN A 42 12.217 -0.646 -5.892 1.00 0.00 C ATOM 608 CG GLN A 42 12.634 -0.525 -4.454 1.00 0.00 C ATOM 609 CD GLN A 42 13.455 -1.713 -4.011 1.00 0.00 C ATOM 610 OE1 GLN A 42 12.797 -2.693 -3.410 1.00 0.00 O flip ATOM 611 NE2 GLN A 42 14.672 -1.744 -4.194 1.00 0.00 N flip ATOM 0 H GLN A 42 13.517 1.482 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 42 11.377 0.474 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.472 -1.437 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.077 -0.948 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.213 0.389 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.749 -0.439 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.137 -0.966 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.215 -2.548 -3.878 1.00 0.00 H new ATOM 620 N VAL A 43 10.576 1.886 -4.681 1.00 0.00 N ATOM 621 CA VAL A 43 9.449 2.348 -3.884 1.00 0.00 C ATOM 622 C VAL A 43 8.449 3.053 -4.790 1.00 0.00 C ATOM 623 O VAL A 43 7.241 2.857 -4.667 1.00 0.00 O ATOM 624 CB VAL A 43 9.868 3.307 -2.753 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.659 3.779 -1.974 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.862 2.641 -1.818 1.00 0.00 C ATOM 0 H VAL A 43 11.483 2.253 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 43 9.004 1.470 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 43 10.348 4.172 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.978 4.455 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.976 4.302 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.150 2.920 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.142 3.338 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.407 1.755 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.751 2.351 -2.378 1.00 0.00 H new ATOM 636 N LYS A 44 8.958 3.878 -5.703 1.00 0.00 N ATOM 637 CA LYS A 44 8.101 4.581 -6.651 1.00 0.00 C ATOM 638 C LYS A 44 7.209 3.574 -7.357 1.00 0.00 C ATOM 639 O LYS A 44 6.032 3.829 -7.612 1.00 0.00 O ATOM 640 CB LYS A 44 8.941 5.339 -7.679 1.00 0.00 C ATOM 641 CG LYS A 44 9.472 6.672 -7.179 1.00 0.00 C ATOM 642 CD LYS A 44 10.967 6.798 -7.416 1.00 0.00 C ATOM 643 CE LYS A 44 11.320 6.579 -8.878 1.00 0.00 C ATOM 644 NZ LYS A 44 10.565 7.495 -9.776 1.00 0.00 N ATOM 0 H LYS A 44 9.954 4.074 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 44 7.490 5.303 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.782 4.714 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.338 5.511 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.952 7.485 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.261 6.773 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.304 7.786 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.497 6.071 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.390 6.732 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.107 5.546 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.974 7.460 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.569 7.200 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.624 8.467 -9.410 1.00 0.00 H new ATOM 658 N ASP A 45 7.795 2.424 -7.669 1.00 0.00 N ATOM 659 CA ASP A 45 7.073 1.346 -8.315 1.00 0.00 C ATOM 660 C ASP A 45 6.093 0.741 -7.324 1.00 0.00 C ATOM 661 O ASP A 45 4.909 0.586 -7.613 1.00 0.00 O ATOM 662 CB ASP A 45 8.051 0.281 -8.805 1.00 0.00 C ATOM 663 CG ASP A 45 8.053 0.147 -10.314 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.139 -0.512 -10.854 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.967 0.703 -10.959 1.00 0.00 O ATOM 0 H ASP A 45 8.776 2.218 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 45 6.527 1.735 -9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.056 0.530 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.792 -0.679 -8.358 1.00 0.00 H new ATOM 670 N ILE A 46 6.606 0.401 -6.145 1.00 0.00 N ATOM 671 CA ILE A 46 5.793 -0.158 -5.081 1.00 0.00 C ATOM 672 C ILE A 46 4.550 0.711 -4.858 1.00 0.00 C ATOM 673 O ILE A 46 3.429 0.208 -4.836 1.00 0.00 O ATOM 674 CB ILE A 46 6.654 -0.317 -3.802 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.391 -1.657 -3.840 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.836 -0.200 -2.524 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.024 -1.989 -5.179 1.00 0.00 C ATOM 0 H ILE A 46 7.592 0.506 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 46 5.437 -1.150 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 46 7.373 0.502 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.169 -1.651 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.691 -2.450 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.491 -0.319 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.360 0.780 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.071 -0.976 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.525 -2.955 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.251 -2.031 -5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.752 -1.220 -5.438 1.00 0.00 H new ATOM 689 N PHE A 47 4.764 2.016 -4.676 1.00 0.00 N ATOM 690 CA PHE A 47 3.667 2.978 -4.508 1.00 0.00 C ATOM 691 C PHE A 47 2.498 2.639 -5.429 1.00 0.00 C ATOM 692 O PHE A 47 1.330 2.735 -5.054 1.00 0.00 O ATOM 693 CB PHE A 47 4.194 4.389 -4.836 1.00 0.00 C ATOM 694 CG PHE A 47 3.164 5.352 -5.386 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.134 5.831 -4.592 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.228 5.755 -6.710 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.188 6.697 -5.113 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.289 6.622 -7.233 1.00 0.00 C ATOM 699 CZ PHE A 47 1.266 7.093 -6.433 1.00 0.00 C ATOM 0 H PHE A 47 5.693 2.435 -4.641 1.00 0.00 H new ATOM 0 HA PHE A 47 3.310 2.936 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.622 4.819 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.004 4.297 -5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.069 5.526 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.023 5.386 -7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.388 7.063 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.354 6.931 -8.266 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.529 7.770 -6.839 1.00 0.00 H new ATOM 709 N ARG A 48 2.849 2.245 -6.633 1.00 0.00 N ATOM 710 CA ARG A 48 1.861 1.916 -7.650 1.00 0.00 C ATOM 711 C ARG A 48 0.855 0.890 -7.142 1.00 0.00 C ATOM 712 O ARG A 48 -0.269 0.825 -7.638 1.00 0.00 O ATOM 713 CB ARG A 48 2.545 1.424 -8.922 1.00 0.00 C ATOM 714 CG ARG A 48 3.568 2.414 -9.455 1.00 0.00 C ATOM 715 CD ARG A 48 2.988 3.820 -9.540 1.00 0.00 C ATOM 716 NE ARG A 48 3.958 4.784 -10.056 1.00 0.00 N ATOM 717 CZ ARG A 48 4.126 5.051 -11.349 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.423 4.401 -12.268 1.00 0.00 N ATOM 719 NH2 ARG A 48 5.010 5.965 -11.726 1.00 0.00 N ATOM 0 H ARG A 48 3.817 2.143 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 48 1.309 2.826 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.036 0.472 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.791 1.238 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.444 2.419 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.904 2.097 -10.442 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.109 3.811 -10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.655 4.135 -8.551 1.00 0.00 H new ATOM 0 HE ARG A 48 4.542 5.282 -9.384 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.748 3.691 -11.985 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.558 4.612 -13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.560 6.462 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.140 6.171 -12.717 1.00 0.00 H new ATOM 733 N PHE A 49 1.250 0.086 -6.152 1.00 0.00 N ATOM 734 CA PHE A 49 0.357 -0.905 -5.587 1.00 0.00 C ATOM 735 C PHE A 49 -0.989 -0.257 -5.233 1.00 0.00 C ATOM 736 O PHE A 49 -2.046 -0.726 -5.654 1.00 0.00 O ATOM 737 CB PHE A 49 1.017 -1.551 -4.354 1.00 0.00 C ATOM 738 CG PHE A 49 0.648 -0.908 -3.047 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.586 -1.165 -2.475 1.00 0.00 C ATOM 740 CD2 PHE A 49 1.506 -0.019 -2.422 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.958 -0.553 -1.305 1.00 0.00 C ATOM 742 CE2 PHE A 49 1.140 0.595 -1.239 1.00 0.00 C ATOM 743 CZ PHE A 49 -0.094 0.328 -0.680 1.00 0.00 C ATOM 0 H PHE A 49 2.180 0.108 -5.733 1.00 0.00 H new ATOM 0 HA PHE A 49 0.165 -1.689 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.740 -2.605 -4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.100 -1.510 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.264 -1.855 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.468 0.196 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.926 -0.759 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.817 1.282 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.384 0.806 0.244 1.00 0.00 H new ATOM 753 N ILE A 50 -0.933 0.826 -4.451 1.00 0.00 N ATOM 754 CA ILE A 50 -2.147 1.536 -4.059 1.00 0.00 C ATOM 755 C ILE A 50 -2.789 2.132 -5.312 1.00 0.00 C ATOM 756 O ILE A 50 -2.493 1.677 -6.417 1.00 0.00 O ATOM 757 CB ILE A 50 -1.926 2.639 -2.963 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.457 3.079 -2.823 1.00 0.00 C ATOM 759 CG2 ILE A 50 -2.458 2.173 -1.619 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.208 3.998 -1.636 1.00 0.00 C ATOM 0 H ILE A 50 -0.069 1.224 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.810 0.809 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.485 3.512 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.171 2.194 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.150 3.588 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.295 2.951 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.525 1.967 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.936 1.265 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.848 4.267 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.810 4.901 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.483 3.485 -0.715 1.00 0.00 H new ATOM 772 N ASP A 51 -3.658 3.131 -5.179 1.00 0.00 N ATOM 773 CA ASP A 51 -4.285 3.711 -6.351 1.00 0.00 C ATOM 774 C ASP A 51 -3.220 4.279 -7.296 1.00 0.00 C ATOM 775 O ASP A 51 -2.027 4.231 -6.999 1.00 0.00 O ATOM 776 CB ASP A 51 -5.287 4.790 -5.933 1.00 0.00 C ATOM 777 CG ASP A 51 -6.445 4.909 -6.901 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.204 5.245 -8.079 1.00 0.00 O ATOM 779 OD2 ASP A 51 -7.595 4.671 -6.478 1.00 0.00 O ATOM 0 H ASP A 51 -3.936 3.545 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.829 2.933 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.670 4.560 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.775 5.750 -5.863 1.00 0.00 H new ATOM 784 N ASN A 52 -3.659 4.812 -8.429 1.00 0.00 N ATOM 785 CA ASN A 52 -2.741 5.363 -9.430 1.00 0.00 C ATOM 786 C ASN A 52 -2.316 6.789 -9.093 1.00 0.00 C ATOM 787 O ASN A 52 -1.145 7.149 -9.226 1.00 0.00 O ATOM 788 CB ASN A 52 -3.389 5.337 -10.814 1.00 0.00 C ATOM 789 CG ASN A 52 -2.461 5.857 -11.894 1.00 0.00 C ATOM 790 OD1 ASN A 52 -1.243 5.694 -11.811 1.00 0.00 O ATOM 791 ND2 ASN A 52 -3.031 6.491 -12.913 1.00 0.00 N ATOM 0 H ASN A 52 -4.645 4.877 -8.682 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.849 4.737 -9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.686 4.316 -11.054 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.298 5.939 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.455 6.865 -13.667 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.044 6.603 -12.941 1.00 0.00 H new ATOM 798 N ASP A 53 -3.272 7.589 -8.657 1.00 0.00 N ATOM 799 CA ASP A 53 -3.020 8.984 -8.313 1.00 0.00 C ATOM 800 C ASP A 53 -4.320 9.631 -7.869 1.00 0.00 C ATOM 801 O ASP A 53 -4.351 10.419 -6.924 1.00 0.00 O ATOM 802 CB ASP A 53 -2.433 9.731 -9.511 1.00 0.00 C ATOM 803 CG ASP A 53 -2.049 11.158 -9.177 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.076 11.349 -8.418 1.00 0.00 O ATOM 805 OD2 ASP A 53 -2.719 12.085 -9.677 1.00 0.00 O ATOM 0 H ASP A 53 -4.241 7.296 -8.531 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.297 9.031 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.554 9.197 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.160 9.735 -10.324 1.00 0.00 H new ATOM 810 N GLN A 54 -5.393 9.264 -8.563 1.00 0.00 N ATOM 811 CA GLN A 54 -6.728 9.739 -8.260 1.00 0.00 C ATOM 812 C GLN A 54 -6.868 11.238 -8.479 1.00 0.00 C ATOM 813 O GLN A 54 -7.657 11.683 -9.312 1.00 0.00 O ATOM 814 CB GLN A 54 -7.066 9.353 -6.826 1.00 0.00 C ATOM 815 CG GLN A 54 -6.575 7.949 -6.471 1.00 0.00 C ATOM 816 CD GLN A 54 -6.819 7.548 -5.032 1.00 0.00 C ATOM 817 OE1 GLN A 54 -7.059 6.378 -4.739 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.733 8.504 -4.123 1.00 0.00 N ATOM 0 H GLN A 54 -5.354 8.624 -9.356 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.434 9.269 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.619 10.075 -6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.145 9.405 -6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.067 7.229 -7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.506 7.888 -6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.532 9.462 -4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.868 8.283 -3.136 1.00 0.00 H new ATOM 827 N SER A 55 -6.104 12.011 -7.728 1.00 0.00 N ATOM 828 CA SER A 55 -6.146 13.462 -7.841 1.00 0.00 C ATOM 829 C SER A 55 -4.812 14.074 -7.437 1.00 0.00 C ATOM 830 O SER A 55 -4.767 15.150 -6.841 1.00 0.00 O ATOM 831 CB SER A 55 -7.261 14.032 -6.964 1.00 0.00 C ATOM 832 OG SER A 55 -8.499 13.399 -7.237 1.00 0.00 O ATOM 0 H SER A 55 -5.446 11.660 -7.032 1.00 0.00 H new ATOM 0 HA SER A 55 -6.346 13.714 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.005 13.899 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.351 15.104 -7.137 1.00 0.00 H new ATOM 0 HG SER A 55 -9.195 13.780 -6.662 1.00 0.00 H new ATOM 838 N GLY A 56 -3.728 13.381 -7.761 1.00 0.00 N ATOM 839 CA GLY A 56 -2.410 13.875 -7.411 1.00 0.00 C ATOM 840 C GLY A 56 -1.838 13.163 -6.203 1.00 0.00 C ATOM 841 O GLY A 56 -0.626 13.162 -5.986 1.00 0.00 O ATOM 0 H GLY A 56 -3.737 12.490 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.738 13.746 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.466 14.945 -7.208 1.00 0.00 H new ATOM 845 N TYR A 57 -2.718 12.555 -5.416 1.00 0.00 N ATOM 846 CA TYR A 57 -2.315 11.837 -4.215 1.00 0.00 C ATOM 847 C TYR A 57 -3.412 10.866 -3.808 1.00 0.00 C ATOM 848 O TYR A 57 -4.538 10.950 -4.296 1.00 0.00 O ATOM 849 CB TYR A 57 -2.034 12.802 -3.052 1.00 0.00 C ATOM 850 CG TYR A 57 -1.951 14.252 -3.452 1.00 0.00 C ATOM 851 CD1 TYR A 57 -0.762 14.821 -3.890 1.00 0.00 C ATOM 852 CD2 TYR A 57 -3.076 15.041 -3.396 1.00 0.00 C ATOM 853 CE1 TYR A 57 -0.708 16.151 -4.262 1.00 0.00 C ATOM 854 CE2 TYR A 57 -3.039 16.372 -3.766 1.00 0.00 C ATOM 855 CZ TYR A 57 -1.849 16.923 -4.198 1.00 0.00 C ATOM 856 OH TYR A 57 -1.801 18.247 -4.568 1.00 0.00 O ATOM 0 H TYR A 57 -3.723 12.546 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.397 11.294 -4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.819 12.688 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.096 12.515 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.132 14.217 -3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.007 14.612 -3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.222 16.583 -4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.933 16.976 -3.718 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.689 18.648 -4.465 1.00 0.00 H new ATOM 866 N LEU A 58 -3.082 9.949 -2.915 1.00 0.00 N ATOM 867 CA LEU A 58 -4.049 8.970 -2.452 1.00 0.00 C ATOM 868 C LEU A 58 -4.558 9.361 -1.075 1.00 0.00 C ATOM 869 O LEU A 58 -3.823 9.969 -0.308 1.00 0.00 O ATOM 870 CB LEU A 58 -3.410 7.584 -2.443 1.00 0.00 C ATOM 871 CG LEU A 58 -2.566 7.287 -3.686 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.943 5.902 -3.614 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.411 7.438 -4.933 1.00 0.00 C ATOM 0 H LEU A 58 -2.155 9.862 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.903 8.943 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.782 7.489 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.195 6.832 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.749 8.008 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.351 5.722 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.301 5.837 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.731 5.152 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.803 7.225 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.247 6.740 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.792 8.458 -4.993 1.00 0.00 H new ATOM 885 N ASP A 59 -5.804 9.011 -0.745 1.00 0.00 N ATOM 886 CA ASP A 59 -6.357 9.389 0.547 1.00 0.00 C ATOM 887 C ASP A 59 -7.291 8.325 1.088 1.00 0.00 C ATOM 888 O ASP A 59 -7.959 7.605 0.344 1.00 0.00 O ATOM 889 CB ASP A 59 -7.097 10.715 0.433 1.00 0.00 C ATOM 890 CG ASP A 59 -7.485 11.280 1.785 1.00 0.00 C ATOM 891 OD1 ASP A 59 -6.664 12.009 2.383 1.00 0.00 O ATOM 892 OD2 ASP A 59 -8.609 10.994 2.247 1.00 0.00 O ATOM 0 H ASP A 59 -6.434 8.477 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.526 9.494 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.468 11.435 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.994 10.576 -0.170 1.00 0.00 H new ATOM 897 N GLY A 60 -7.348 8.287 2.412 1.00 0.00 N ATOM 898 CA GLY A 60 -8.114 7.284 3.139 1.00 0.00 C ATOM 899 C GLY A 60 -9.462 6.971 2.530 1.00 0.00 C ATOM 900 O GLY A 60 -9.977 5.865 2.693 1.00 0.00 O ATOM 0 H GLY A 60 -6.863 8.953 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.530 6.365 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.262 7.628 4.163 1.00 0.00 H new ATOM 904 N ASP A 61 -10.038 7.940 1.840 1.00 0.00 N ATOM 905 CA ASP A 61 -11.335 7.756 1.211 1.00 0.00 C ATOM 906 C ASP A 61 -11.208 6.843 0.002 1.00 0.00 C ATOM 907 O ASP A 61 -11.942 5.865 -0.149 1.00 0.00 O ATOM 908 CB ASP A 61 -11.899 9.105 0.771 1.00 0.00 C ATOM 909 CG ASP A 61 -12.001 10.094 1.916 1.00 0.00 C ATOM 910 OD1 ASP A 61 -13.039 10.090 2.610 1.00 0.00 O ATOM 911 OD2 ASP A 61 -11.044 10.870 2.117 1.00 0.00 O ATOM 0 H ASP A 61 -9.628 8.863 1.701 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.010 7.300 1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.264 9.523 -0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.887 8.957 0.334 1.00 0.00 H new ATOM 916 N GLU A 62 -10.258 7.191 -0.850 1.00 0.00 N ATOM 917 CA GLU A 62 -9.999 6.470 -2.088 1.00 0.00 C ATOM 918 C GLU A 62 -9.211 5.179 -1.876 1.00 0.00 C ATOM 919 O GLU A 62 -9.348 4.221 -2.635 1.00 0.00 O ATOM 920 CB GLU A 62 -9.232 7.372 -3.034 1.00 0.00 C ATOM 921 CG GLU A 62 -9.987 8.626 -3.427 1.00 0.00 C ATOM 922 CD GLU A 62 -11.258 8.328 -4.198 1.00 0.00 C ATOM 923 OE1 GLU A 62 -11.179 8.173 -5.435 1.00 0.00 O ATOM 924 OE2 GLU A 62 -12.331 8.248 -3.564 1.00 0.00 O ATOM 0 H GLU A 62 -9.639 7.988 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.966 6.189 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.290 7.658 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.983 6.811 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.236 9.191 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.340 9.260 -4.033 1.00 0.00 H new ATOM 931 N LEU A 63 -8.389 5.169 -0.839 1.00 0.00 N ATOM 932 CA LEU A 63 -7.517 4.039 -0.543 1.00 0.00 C ATOM 933 C LEU A 63 -8.181 2.678 -0.757 1.00 0.00 C ATOM 934 O LEU A 63 -7.511 1.726 -1.143 1.00 0.00 O ATOM 935 CB LEU A 63 -6.998 4.159 0.889 1.00 0.00 C ATOM 936 CG LEU A 63 -5.983 5.281 1.097 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.368 5.238 2.488 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.915 5.259 0.010 1.00 0.00 C ATOM 0 H LEU A 63 -8.306 5.942 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.690 4.082 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.844 4.321 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.541 3.213 1.178 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.519 6.227 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.652 6.053 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.153 5.345 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.858 4.285 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.205 6.068 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.390 4.304 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.385 5.389 -0.965 1.00 0.00 H new ATOM 950 N LYS A 64 -9.480 2.561 -0.509 1.00 0.00 N ATOM 951 CA LYS A 64 -10.163 1.284 -0.696 1.00 0.00 C ATOM 952 C LYS A 64 -10.113 0.798 -2.141 1.00 0.00 C ATOM 953 O LYS A 64 -10.217 -0.402 -2.399 1.00 0.00 O ATOM 954 CB LYS A 64 -11.628 1.433 -0.298 1.00 0.00 C ATOM 955 CG LYS A 64 -11.852 1.966 1.104 1.00 0.00 C ATOM 956 CD LYS A 64 -13.310 2.338 1.317 1.00 0.00 C ATOM 957 CE LYS A 64 -13.637 3.694 0.712 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.075 4.046 0.884 1.00 0.00 N ATOM 0 H LYS A 64 -10.076 3.322 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.649 0.553 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.117 2.100 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.115 0.462 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.554 1.214 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.222 2.840 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.949 1.576 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.530 2.353 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.017 4.459 1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.389 3.688 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.258 4.977 0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.666 3.329 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.306 4.077 1.898 1.00 0.00 H new ATOM 972 N TYR A 65 -9.956 1.718 -3.077 1.00 0.00 N ATOM 973 CA TYR A 65 -9.920 1.352 -4.494 1.00 0.00 C ATOM 974 C TYR A 65 -8.595 0.699 -4.896 1.00 0.00 C ATOM 975 O TYR A 65 -8.488 0.125 -5.978 1.00 0.00 O ATOM 976 CB TYR A 65 -10.204 2.573 -5.370 1.00 0.00 C ATOM 977 CG TYR A 65 -11.401 3.377 -4.906 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.419 2.781 -4.171 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.509 4.732 -5.195 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.510 3.509 -3.739 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.598 5.468 -4.768 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.595 4.852 -4.040 1.00 0.00 C ATOM 983 OH TYR A 65 -14.680 5.583 -3.613 1.00 0.00 O ATOM 0 H TYR A 65 -9.852 2.715 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.702 0.610 -4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.324 3.217 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.371 2.245 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.356 1.729 -3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.729 5.218 -5.763 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.292 3.029 -3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.668 6.520 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.585 6.513 -3.908 1.00 0.00 H new ATOM 993 N PHE A 66 -7.588 0.786 -4.028 1.00 0.00 N ATOM 994 CA PHE A 66 -6.277 0.193 -4.306 1.00 0.00 C ATOM 995 C PHE A 66 -6.432 -1.251 -4.808 1.00 0.00 C ATOM 996 O PHE A 66 -5.882 -1.627 -5.843 1.00 0.00 O ATOM 997 CB PHE A 66 -5.400 0.276 -3.030 1.00 0.00 C ATOM 998 CG PHE A 66 -4.819 -1.028 -2.538 1.00 0.00 C ATOM 999 CD1 PHE A 66 -3.973 -1.786 -3.333 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.144 -1.493 -1.283 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.461 -2.984 -2.871 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.642 -2.689 -0.813 1.00 0.00 C ATOM 1003 CZ PHE A 66 -3.797 -3.437 -1.608 1.00 0.00 C ATOM 0 H PHE A 66 -7.653 1.260 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.780 0.750 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.579 0.967 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.000 0.709 -2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.712 -1.438 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.803 -0.911 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.799 -3.566 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.909 -3.039 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.399 -4.373 -1.245 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.182 -2.042 -4.054 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.428 -3.432 -4.416 1.00 0.00 C ATOM 1015 C LEU A 67 -8.249 -3.478 -5.689 1.00 0.00 C ATOM 1016 O LEU A 67 -8.104 -4.379 -6.515 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.183 -4.163 -3.309 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.311 -4.783 -2.214 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.172 -5.530 -1.206 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.272 -5.712 -2.822 1.00 0.00 C ATOM 0 H LEU A 67 -7.631 -1.746 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.467 -3.924 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.877 -3.463 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.782 -4.953 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.790 -3.980 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.536 -5.964 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.878 -4.838 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.720 -6.324 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.661 -6.144 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.773 -6.510 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.635 -5.149 -3.504 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.116 -2.488 -5.830 1.00 0.00 N ATOM 1033 CA GLN A 68 -9.976 -2.382 -6.987 1.00 0.00 C ATOM 1034 C GLN A 68 -9.160 -2.079 -8.239 1.00 0.00 C ATOM 1035 O GLN A 68 -9.448 -2.593 -9.312 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.045 -1.326 -6.730 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.074 -1.793 -5.717 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.381 -1.035 -5.799 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.413 0.143 -6.153 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.470 -1.718 -5.471 1.00 0.00 N ATOM 0 H GLN A 68 -9.240 -1.741 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.476 -3.335 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.572 -0.412 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.544 -1.080 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.268 -2.855 -5.869 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.661 -1.685 -4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.393 -2.694 -5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.384 -1.268 -5.506 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.153 -1.231 -8.117 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.299 -0.938 -9.249 1.00 0.00 C ATOM 1051 C LYS A 69 -6.582 -2.189 -9.719 1.00 0.00 C ATOM 1052 O LYS A 69 -6.604 -2.550 -10.896 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.260 0.096 -8.825 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.874 1.372 -8.271 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.289 1.575 -8.784 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.795 2.976 -8.602 1.00 0.00 C ATOM 1057 NZ LYS A 69 -7.983 3.975 -9.351 1.00 0.00 N ATOM 0 H LYS A 69 -7.911 -0.740 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.913 -0.557 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.608 -0.343 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.634 0.344 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.883 1.330 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.258 2.226 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.324 1.319 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.957 0.886 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.831 3.031 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.787 3.227 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.411 4.917 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.015 3.991 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.955 3.715 -10.358 1.00 0.00 H new ATOM 1071 N PHE A 70 -5.950 -2.834 -8.758 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.173 -4.037 -8.984 1.00 0.00 C ATOM 1073 C PHE A 70 -5.997 -5.193 -9.577 1.00 0.00 C ATOM 1074 O PHE A 70 -5.470 -5.974 -10.368 1.00 0.00 O ATOM 1075 CB PHE A 70 -4.487 -4.407 -7.657 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.489 -5.869 -7.288 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -3.924 -6.820 -8.123 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.067 -6.282 -6.100 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -3.936 -8.158 -7.775 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.083 -7.615 -5.746 1.00 0.00 C ATOM 1081 CZ PHE A 70 -4.516 -8.556 -6.585 1.00 0.00 C ATOM 0 H PHE A 70 -5.962 -2.532 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.419 -3.842 -9.746 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.452 -4.067 -7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.972 -3.851 -6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.470 -6.513 -9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.511 -5.551 -5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.493 -8.891 -8.432 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.537 -7.923 -4.816 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.526 -9.601 -6.311 1.00 0.00 H new ATOM 1091 N GLN A 71 -7.273 -5.316 -9.212 1.00 0.00 N ATOM 1092 CA GLN A 71 -8.084 -6.414 -9.746 1.00 0.00 C ATOM 1093 C GLN A 71 -9.581 -6.132 -9.685 1.00 0.00 C ATOM 1094 O GLN A 71 -10.355 -7.035 -9.381 1.00 0.00 O ATOM 1095 CB GLN A 71 -7.785 -7.687 -8.964 1.00 0.00 C ATOM 1096 CG GLN A 71 -8.191 -7.581 -7.509 1.00 0.00 C ATOM 1097 CD GLN A 71 -9.430 -8.392 -7.188 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.277 -7.860 -6.312 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -9.636 -9.476 -7.736 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.758 -4.691 -8.568 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.818 -6.527 -10.797 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.309 -8.524 -9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.719 -7.906 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.367 -7.919 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.372 -6.535 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.959 -9.847 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.484 -10.002 -7.523 1.00 0.00 H new ATOM 1108 N SER A 72 -9.958 -4.900 -10.057 1.00 0.00 N ATOM 1109 CA SER A 72 -11.355 -4.405 -10.056 1.00 0.00 C ATOM 1110 C SER A 72 -12.374 -5.374 -9.460 1.00 0.00 C ATOM 1111 O SER A 72 -13.383 -5.693 -10.089 1.00 0.00 O ATOM 1112 CB SER A 72 -11.779 -4.057 -11.477 1.00 0.00 C ATOM 1113 OG SER A 72 -11.090 -2.915 -11.953 1.00 0.00 O ATOM 0 H SER A 72 -9.289 -4.199 -10.375 1.00 0.00 H new ATOM 0 HA SER A 72 -11.351 -3.526 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.583 -4.903 -12.135 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.853 -3.874 -11.504 1.00 0.00 H new ATOM 0 HG SER A 72 -10.448 -2.615 -11.276 1.00 0.00 H new ATOM 1119 N ASP A 73 -12.104 -5.833 -8.252 1.00 0.00 N ATOM 1120 CA ASP A 73 -13.006 -6.747 -7.567 1.00 0.00 C ATOM 1121 C ASP A 73 -12.829 -6.686 -6.052 1.00 0.00 C ATOM 1122 O ASP A 73 -13.312 -7.562 -5.333 1.00 0.00 O ATOM 1123 CB ASP A 73 -12.777 -8.174 -8.061 1.00 0.00 C ATOM 1124 CG ASP A 73 -13.221 -8.371 -9.497 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -12.414 -8.103 -10.411 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -14.378 -8.794 -9.707 1.00 0.00 O ATOM 0 H ASP A 73 -11.267 -5.589 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.027 -6.440 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.718 -8.419 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.318 -8.868 -7.418 1.00 0.00 H new ATOM 1131 N ALA A 74 -12.138 -5.658 -5.565 1.00 0.00 N ATOM 1132 CA ALA A 74 -11.907 -5.507 -4.144 1.00 0.00 C ATOM 1133 C ALA A 74 -13.207 -5.406 -3.376 1.00 0.00 C ATOM 1134 O ALA A 74 -14.167 -4.789 -3.837 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.087 -4.259 -3.882 1.00 0.00 C ATOM 0 H ALA A 74 -11.731 -4.920 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.369 -6.392 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.918 -4.153 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.128 -4.339 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.624 -3.386 -4.253 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.237 -6.014 -2.203 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.411 -5.924 -1.358 1.00 0.00 C ATOM 1143 C ARG A 75 -14.411 -4.577 -0.624 1.00 0.00 C ATOM 1144 O ARG A 75 -15.343 -4.263 0.115 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.469 -7.086 -0.356 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.141 -7.415 0.322 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.588 -6.228 1.096 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.356 -6.558 1.807 1.00 0.00 N ATOM 1149 CZ ARG A 75 -11.308 -7.364 2.862 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -12.420 -7.915 3.328 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -10.148 -7.619 3.453 1.00 0.00 N ATOM 0 H ARG A 75 -12.472 -6.568 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.298 -5.992 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.204 -6.848 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.827 -7.976 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.279 -8.258 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.417 -7.726 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.399 -5.404 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.336 -5.882 1.810 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.484 -6.147 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.314 -7.720 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.382 -8.534 4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.291 -7.196 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.113 -8.238 4.263 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.327 -3.807 -0.832 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.127 -2.498 -0.231 1.00 0.00 C ATOM 1167 C GLU A 76 -12.335 -2.658 1.052 1.00 0.00 C ATOM 1168 O GLU A 76 -12.555 -3.600 1.814 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.447 -1.766 0.022 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.340 -1.738 -1.204 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.310 -0.573 -1.199 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -15.928 0.520 -1.667 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.453 -0.752 -0.728 1.00 0.00 O ATOM 0 H GLU A 76 -12.557 -4.093 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.567 -1.880 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.976 -2.251 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.237 -0.744 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.719 -1.684 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.901 -2.671 -1.261 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.412 -1.739 1.294 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.564 -1.790 2.481 1.00 0.00 C ATOM 1182 C LEU A 77 -11.291 -1.376 3.770 1.00 0.00 C ATOM 1183 O LEU A 77 -10.650 -0.958 4.729 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.336 -0.909 2.258 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.321 -1.457 1.254 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.010 -0.715 1.382 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -8.112 -2.951 1.433 1.00 0.00 C ATOM 0 H LEU A 77 -11.229 -0.944 0.682 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.269 -2.830 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.668 0.072 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.835 -0.761 3.215 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.719 -1.300 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.295 -1.113 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.171 0.345 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.618 -0.841 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.385 -3.307 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.743 -3.149 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.058 -3.471 1.285 1.00 0.00 H new ATOM 1199 N THR A 78 -12.617 -1.522 3.796 1.00 0.00 N ATOM 1200 CA THR A 78 -13.433 -1.170 4.950 1.00 0.00 C ATOM 1201 C THR A 78 -12.939 0.083 5.666 1.00 0.00 C ATOM 1202 O THR A 78 -12.073 0.809 5.180 1.00 0.00 O ATOM 1203 CB THR A 78 -13.485 -2.330 5.963 1.00 0.00 C ATOM 1204 OG1 THR A 78 -12.214 -2.474 6.609 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.854 -3.637 5.275 1.00 0.00 C ATOM 0 H THR A 78 -13.154 -1.890 3.011 1.00 0.00 H new ATOM 0 HA THR A 78 -14.430 -0.967 4.558 1.00 0.00 H new ATOM 0 HB THR A 78 -14.249 -2.098 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.143 -3.372 6.995 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.884 -4.440 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.833 -3.538 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.109 -3.870 4.514 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.568 0.371 6.786 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.172 1.498 7.604 1.00 0.00 C ATOM 1215 C GLU A 79 -11.796 1.224 8.202 1.00 0.00 C ATOM 1216 O GLU A 79 -10.911 2.080 8.204 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.192 1.737 8.714 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.592 2.032 8.200 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.591 2.247 9.319 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.706 3.394 9.800 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -17.258 1.269 9.716 1.00 0.00 O ATOM 0 H GLU A 79 -14.358 -0.161 7.152 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.128 2.394 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.228 0.859 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.857 2.571 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.563 2.920 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.927 1.205 7.573 1.00 0.00 H new ATOM 1228 N SER A 80 -11.647 0.001 8.705 1.00 0.00 N ATOM 1229 CA SER A 80 -10.423 -0.449 9.358 1.00 0.00 C ATOM 1230 C SER A 80 -9.244 -0.686 8.409 1.00 0.00 C ATOM 1231 O SER A 80 -8.163 -0.139 8.628 1.00 0.00 O ATOM 1232 CB SER A 80 -10.702 -1.725 10.146 1.00 0.00 C ATOM 1233 OG SER A 80 -9.596 -2.074 10.959 1.00 0.00 O ATOM 0 H SER A 80 -12.378 -0.710 8.670 1.00 0.00 H new ATOM 0 HA SER A 80 -10.121 0.366 10.016 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.586 -1.586 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.923 -2.541 9.457 1.00 0.00 H new ATOM 0 HG SER A 80 -9.917 -2.397 11.827 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.430 -1.492 7.358 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.324 -1.815 6.452 1.00 0.00 C ATOM 1241 C GLU A 81 -7.667 -0.577 5.855 1.00 0.00 C ATOM 1242 O GLU A 81 -6.441 -0.511 5.774 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.798 -2.740 5.326 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.851 -3.895 5.052 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.427 -3.438 4.804 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.668 -3.298 5.787 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.070 -3.218 3.628 1.00 0.00 O ATOM 0 H GLU A 81 -10.321 -1.926 7.117 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.573 -2.325 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.780 -3.138 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.920 -2.156 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.866 -4.580 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.206 -4.452 4.185 1.00 0.00 H new ATOM 1254 N THR A 82 -8.455 0.408 5.434 1.00 0.00 N ATOM 1255 CA THR A 82 -7.874 1.613 4.871 1.00 0.00 C ATOM 1256 C THR A 82 -6.918 2.258 5.869 1.00 0.00 C ATOM 1257 O THR A 82 -6.056 3.051 5.489 1.00 0.00 O ATOM 1258 CB THR A 82 -8.941 2.635 4.458 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.781 2.955 5.573 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.784 2.104 3.309 1.00 0.00 C ATOM 0 H THR A 82 -9.474 0.394 5.472 1.00 0.00 H new ATOM 0 HA THR A 82 -7.330 1.313 3.975 1.00 0.00 H new ATOM 0 HB THR A 82 -8.432 3.539 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.564 2.366 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.533 2.846 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.143 1.901 2.451 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.281 1.184 3.617 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.071 1.914 7.149 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.191 2.442 8.175 1.00 0.00 C ATOM 1270 C LYS A 83 -4.756 2.075 7.820 1.00 0.00 C ATOM 1271 O LYS A 83 -3.829 2.858 8.019 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.564 1.872 9.545 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.795 2.498 10.695 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.186 1.877 12.026 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.463 2.542 13.186 1.00 0.00 C ATOM 1276 NZ LYS A 83 -3.983 2.450 13.043 1.00 0.00 N ATOM 0 H LYS A 83 -7.791 1.278 7.491 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.293 3.526 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.631 2.017 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.385 0.797 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.725 2.369 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.987 3.571 10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.263 1.967 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.954 0.812 12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.758 3.590 13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.767 2.072 14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.538 2.527 13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.732 1.536 12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.644 3.222 12.434 1.00 0.00 H new ATOM 1290 N SER A 84 -4.595 0.866 7.286 1.00 0.00 N ATOM 1291 CA SER A 84 -3.307 0.365 6.869 1.00 0.00 C ATOM 1292 C SER A 84 -2.659 1.324 5.879 1.00 0.00 C ATOM 1293 O SER A 84 -1.535 1.782 6.083 1.00 0.00 O ATOM 1294 CB SER A 84 -3.505 -1.003 6.234 1.00 0.00 C ATOM 1295 OG SER A 84 -3.999 -1.937 7.178 1.00 0.00 O ATOM 0 H SER A 84 -5.363 0.212 7.134 1.00 0.00 H new ATOM 0 HA SER A 84 -2.646 0.279 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.201 -0.922 5.399 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.559 -1.359 5.827 1.00 0.00 H new ATOM 0 HG SER A 84 -4.726 -2.456 6.775 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.382 1.625 4.805 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.913 2.544 3.797 1.00 0.00 C ATOM 1303 C LEU A 85 -2.728 3.927 4.408 1.00 0.00 C ATOM 1304 O LEU A 85 -1.783 4.643 4.085 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.925 2.555 2.653 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.924 1.288 1.811 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.816 1.447 0.595 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.513 0.947 1.392 1.00 0.00 C ATOM 0 H LEU A 85 -4.306 1.235 4.617 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.945 2.233 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.923 2.703 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.718 3.408 2.007 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.320 0.471 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.799 0.528 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.837 1.653 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.454 2.274 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.522 0.039 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.099 1.767 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.898 0.789 2.278 1.00 0.00 H new ATOM 1320 N MET A 86 -3.631 4.279 5.310 1.00 0.00 N ATOM 1321 CA MET A 86 -3.551 5.553 6.005 1.00 0.00 C ATOM 1322 C MET A 86 -2.230 5.615 6.766 1.00 0.00 C ATOM 1323 O MET A 86 -1.465 6.570 6.642 1.00 0.00 O ATOM 1324 CB MET A 86 -4.728 5.697 6.969 1.00 0.00 C ATOM 1325 CG MET A 86 -6.078 5.641 6.277 1.00 0.00 C ATOM 1326 SD MET A 86 -6.951 7.214 6.353 1.00 0.00 S ATOM 1327 CE MET A 86 -5.720 8.295 5.634 1.00 0.00 C ATOM 0 H MET A 86 -4.427 3.700 5.577 1.00 0.00 H new ATOM 0 HA MET A 86 -3.596 6.371 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.677 4.905 7.716 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.639 6.644 7.502 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.938 5.356 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.689 4.866 6.740 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.157 9.278 5.459 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.876 8.390 6.317 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.377 7.877 4.688 1.00 0.00 H new ATOM 1337 N ASP A 87 -1.976 4.557 7.535 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.750 4.407 8.323 1.00 0.00 C ATOM 1339 C ASP A 87 0.474 4.130 7.439 1.00 0.00 C ATOM 1340 O ASP A 87 1.597 4.041 7.935 1.00 0.00 O ATOM 1341 CB ASP A 87 -0.921 3.259 9.307 1.00 0.00 C ATOM 1342 CG ASP A 87 -1.884 3.596 10.430 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.094 3.734 10.154 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -1.428 3.720 11.586 1.00 0.00 O ATOM 0 H ASP A 87 -2.620 3.772 7.630 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.579 5.346 8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.282 2.379 8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.049 3.000 9.730 1.00 0.00 H new ATOM 1349 N ALA A 88 0.250 3.997 6.137 1.00 0.00 N ATOM 1350 CA ALA A 88 1.312 3.681 5.192 1.00 0.00 C ATOM 1351 C ALA A 88 2.291 4.836 4.969 1.00 0.00 C ATOM 1352 O ALA A 88 3.449 4.604 4.623 1.00 0.00 O ATOM 1353 CB ALA A 88 0.695 3.250 3.880 1.00 0.00 C ATOM 0 H ALA A 88 -0.669 4.105 5.709 1.00 0.00 H new ATOM 0 HA ALA A 88 1.900 2.870 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.485 3.012 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.074 2.369 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.081 4.059 3.484 1.00 0.00 H new ATOM 1359 N ALA A 89 1.843 6.079 5.155 1.00 0.00 N ATOM 1360 CA ALA A 89 2.726 7.228 4.947 1.00 0.00 C ATOM 1361 C ALA A 89 2.235 8.479 5.677 1.00 0.00 C ATOM 1362 O ALA A 89 2.648 8.751 6.804 1.00 0.00 O ATOM 1363 CB ALA A 89 2.886 7.512 3.455 1.00 0.00 C ATOM 0 H ALA A 89 0.893 6.314 5.444 1.00 0.00 H new ATOM 0 HA ALA A 89 3.696 6.969 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.545 8.369 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.316 6.640 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.911 7.730 3.020 1.00 0.00 H new ATOM 1369 N ASP A 90 1.354 9.236 5.030 1.00 0.00 N ATOM 1370 CA ASP A 90 0.829 10.461 5.620 1.00 0.00 C ATOM 1371 C ASP A 90 -0.381 10.134 6.485 1.00 0.00 C ATOM 1372 O ASP A 90 -1.520 10.377 6.094 1.00 0.00 O ATOM 1373 CB ASP A 90 0.461 11.466 4.534 1.00 0.00 C ATOM 1374 CG ASP A 90 0.769 12.888 4.950 1.00 0.00 C ATOM 1375 OD1 ASP A 90 0.159 13.363 5.928 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.628 13.523 4.306 1.00 0.00 O ATOM 0 H ASP A 90 0.990 9.023 4.101 1.00 0.00 H new ATOM 0 HA ASP A 90 1.599 10.912 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.007 11.229 3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.601 11.378 4.303 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.120 9.579 7.659 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.190 9.165 8.571 1.00 0.00 C ATOM 1383 C ASN A 91 -1.474 10.186 9.668 1.00 0.00 C ATOM 1384 O ASN A 91 -2.611 10.629 9.837 1.00 0.00 O ATOM 1385 CB ASN A 91 -0.873 7.804 9.219 1.00 0.00 C ATOM 1386 CG ASN A 91 0.591 7.411 9.116 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.953 6.766 8.011 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.385 7.687 10.015 1.00 0.00 N flip ATOM 0 H ASN A 91 0.822 9.402 8.008 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.084 9.084 7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.160 7.835 10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.482 7.034 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.062 8.183 10.846 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.366 7.419 9.929 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.440 10.553 10.409 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.583 11.467 11.530 1.00 0.00 C ATOM 1397 C ASP A 92 -0.827 12.914 11.114 1.00 0.00 C ATOM 1398 O ASP A 92 -1.266 13.721 11.934 1.00 0.00 O ATOM 1399 CB ASP A 92 0.670 11.393 12.396 1.00 0.00 C ATOM 1400 CG ASP A 92 1.879 12.017 11.727 1.00 0.00 C ATOM 1401 OD1 ASP A 92 2.505 11.342 10.883 1.00 0.00 O ATOM 1402 OD2 ASP A 92 2.200 13.181 12.048 1.00 0.00 O ATOM 0 H ASP A 92 0.514 10.229 10.252 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.467 11.151 12.084 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.483 11.898 13.344 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.886 10.350 12.628 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.554 13.262 9.863 1.00 0.00 N ATOM 1408 CA GLY A 93 -0.754 14.639 9.449 1.00 0.00 C ATOM 1409 C GLY A 93 -1.877 14.844 8.444 1.00 0.00 C ATOM 1410 O GLY A 93 -3.018 15.109 8.822 1.00 0.00 O ATOM 0 H GLY A 93 -0.205 12.632 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.961 15.243 10.332 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.174 15.013 9.017 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.548 14.718 7.162 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.514 14.941 6.087 1.00 0.00 C ATOM 1416 C ASP A 94 -3.532 13.810 5.961 1.00 0.00 C ATOM 1417 O ASP A 94 -4.738 14.044 6.028 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.783 15.126 4.757 1.00 0.00 C ATOM 1419 CG ASP A 94 -0.775 16.257 4.804 1.00 0.00 C ATOM 1420 OD1 ASP A 94 0.395 15.995 5.155 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -1.154 17.404 4.490 1.00 0.00 O ATOM 0 H ASP A 94 -0.615 14.461 6.839 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.067 15.845 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.273 14.199 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.511 15.324 3.970 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.046 12.588 5.778 1.00 0.00 N ATOM 1427 CA GLY A 95 -3.942 11.456 5.620 1.00 0.00 C ATOM 1428 C GLY A 95 -3.945 10.910 4.201 1.00 0.00 C ATOM 1429 O GLY A 95 -4.810 10.113 3.840 1.00 0.00 O ATOM 0 H GLY A 95 -2.053 12.360 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.648 10.665 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.954 11.757 5.892 1.00 0.00 H new ATOM 1433 N LYS A 96 -2.973 11.336 3.394 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.877 10.890 2.007 1.00 0.00 C ATOM 1435 C LYS A 96 -1.642 9.996 1.803 1.00 0.00 C ATOM 1436 O LYS A 96 -0.682 10.072 2.568 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.850 12.129 1.072 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.522 12.396 0.363 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.396 12.655 1.348 1.00 0.00 C ATOM 1440 CE LYS A 96 0.509 13.774 0.855 1.00 0.00 C ATOM 1441 NZ LYS A 96 1.306 14.377 1.958 1.00 0.00 N ATOM 0 H LYS A 96 -2.242 11.989 3.678 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.750 10.286 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.626 12.008 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.111 13.010 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.267 11.541 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.630 13.255 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.812 12.920 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.187 11.745 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.183 13.385 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.096 14.547 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.276 14.557 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.869 15.274 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.331 13.723 2.766 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.671 9.151 0.770 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.537 8.278 0.478 1.00 0.00 C ATOM 1457 C ILE A 97 -0.062 8.420 -0.960 1.00 0.00 C ATOM 1458 O ILE A 97 -0.658 7.860 -1.879 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.866 6.796 0.686 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.527 6.562 2.033 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.407 5.973 0.570 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.662 6.939 3.214 1.00 0.00 C ATOM 0 H ILE A 97 -2.459 9.054 0.129 1.00 0.00 H new ATOM 0 HA ILE A 97 0.239 8.594 1.175 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.571 6.485 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.453 7.135 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.799 5.510 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.173 4.919 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.842 6.113 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.120 6.297 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.204 6.743 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.254 6.348 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.411 7.998 3.158 1.00 0.00 H new ATOM 1474 N GLY A 98 1.014 9.160 -1.149 1.00 0.00 N ATOM 1475 CA GLY A 98 1.589 9.325 -2.465 1.00 0.00 C ATOM 1476 C GLY A 98 2.945 8.659 -2.564 1.00 0.00 C ATOM 1477 O GLY A 98 3.509 8.248 -1.557 1.00 0.00 O ATOM 0 H GLY A 98 1.506 9.656 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.918 8.901 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.686 10.387 -2.690 1.00 0.00 H new ATOM 1481 N ALA A 99 3.464 8.540 -3.773 1.00 0.00 N ATOM 1482 CA ALA A 99 4.764 7.911 -3.963 1.00 0.00 C ATOM 1483 C ALA A 99 5.809 8.581 -3.073 1.00 0.00 C ATOM 1484 O ALA A 99 6.565 7.910 -2.375 1.00 0.00 O ATOM 1485 CB ALA A 99 5.181 7.977 -5.422 1.00 0.00 C ATOM 0 H ALA A 99 3.015 8.865 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 99 4.688 6.861 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.155 7.502 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.444 7.457 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.244 9.019 -5.736 1.00 0.00 H new ATOM 1491 N ASP A 100 5.818 9.912 -3.089 1.00 0.00 N ATOM 1492 CA ASP A 100 6.754 10.691 -2.280 1.00 0.00 C ATOM 1493 C ASP A 100 6.538 10.410 -0.799 1.00 0.00 C ATOM 1494 O ASP A 100 7.478 10.095 -0.068 1.00 0.00 O ATOM 1495 CB ASP A 100 6.579 12.184 -2.556 1.00 0.00 C ATOM 1496 CG ASP A 100 7.558 13.037 -1.773 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.669 13.288 -2.286 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.214 13.454 -0.648 1.00 0.00 O ATOM 0 H ASP A 100 5.185 10.476 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 100 7.768 10.397 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.710 12.371 -3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.561 12.480 -2.303 1.00 0.00 H new ATOM 1503 N GLU A 101 5.290 10.530 -0.369 1.00 0.00 N ATOM 1504 CA GLU A 101 4.920 10.272 1.014 1.00 0.00 C ATOM 1505 C GLU A 101 5.299 8.847 1.370 1.00 0.00 C ATOM 1506 O GLU A 101 5.977 8.598 2.367 1.00 0.00 O ATOM 1507 CB GLU A 101 3.407 10.484 1.184 1.00 0.00 C ATOM 1508 CG GLU A 101 3.007 11.731 1.964 1.00 0.00 C ATOM 1509 CD GLU A 101 4.005 12.872 1.857 1.00 0.00 C ATOM 1510 OE1 GLU A 101 3.936 13.630 0.866 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.854 13.007 2.763 1.00 0.00 O ATOM 0 H GLU A 101 4.510 10.807 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 101 5.447 10.957 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.950 10.532 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.989 9.612 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.037 12.075 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.884 11.467 3.014 1.00 0.00 H new ATOM 1518 N PHE A 102 4.853 7.913 0.544 1.00 0.00 N ATOM 1519 CA PHE A 102 5.176 6.514 0.739 1.00 0.00 C ATOM 1520 C PHE A 102 6.692 6.338 0.850 1.00 0.00 C ATOM 1521 O PHE A 102 7.171 5.568 1.683 1.00 0.00 O ATOM 1522 CB PHE A 102 4.603 5.659 -0.397 1.00 0.00 C ATOM 1523 CG PHE A 102 4.846 4.196 -0.179 1.00 0.00 C ATOM 1524 CD1 PHE A 102 6.127 3.685 -0.240 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.799 3.336 0.113 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.367 2.349 -0.018 1.00 0.00 C ATOM 1527 CE2 PHE A 102 4.032 1.992 0.335 1.00 0.00 C ATOM 1528 CZ PHE A 102 5.320 1.498 0.269 1.00 0.00 C ATOM 0 H PHE A 102 4.266 8.102 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 102 4.720 6.175 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.531 5.840 -0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.053 5.964 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.953 4.344 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.791 3.720 0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.376 1.966 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.209 1.330 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.507 0.448 0.442 1.00 0.00 H new ATOM 1538 N GLN A 103 7.450 7.054 0.010 1.00 0.00 N ATOM 1539 CA GLN A 103 8.911 6.975 0.057 1.00 0.00 C ATOM 1540 C GLN A 103 9.409 7.306 1.457 1.00 0.00 C ATOM 1541 O GLN A 103 10.415 6.766 1.916 1.00 0.00 O ATOM 1542 CB GLN A 103 9.567 7.928 -0.953 1.00 0.00 C ATOM 1543 CG GLN A 103 9.345 7.551 -2.403 1.00 0.00 C ATOM 1544 CD GLN A 103 10.616 7.611 -3.221 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.510 8.410 -2.943 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.698 6.769 -4.243 1.00 0.00 N ATOM 0 H GLN A 103 7.080 7.686 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 103 9.190 5.955 -0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.181 8.934 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.639 7.962 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.932 6.543 -2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.604 8.221 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.931 6.124 -4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.528 6.766 -4.836 1.00 0.00 H new ATOM 1555 N GLU A 104 8.692 8.201 2.130 1.00 0.00 N ATOM 1556 CA GLU A 104 9.062 8.611 3.481 1.00 0.00 C ATOM 1557 C GLU A 104 9.022 7.425 4.443 1.00 0.00 C ATOM 1558 O GLU A 104 9.897 7.276 5.297 1.00 0.00 O ATOM 1559 CB GLU A 104 8.129 9.719 3.976 1.00 0.00 C ATOM 1560 CG GLU A 104 8.065 10.921 3.047 1.00 0.00 C ATOM 1561 CD GLU A 104 9.420 11.565 2.829 1.00 0.00 C ATOM 1562 OE1 GLU A 104 10.180 11.072 1.969 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.720 12.564 3.518 1.00 0.00 O ATOM 0 H GLU A 104 7.855 8.655 1.764 1.00 0.00 H new ATOM 0 HA GLU A 104 10.082 8.994 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.126 9.310 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.460 10.049 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.656 10.610 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.379 11.659 3.462 1.00 0.00 H new ATOM 1570 N MET A 105 8.002 6.586 4.295 1.00 0.00 N ATOM 1571 CA MET A 105 7.837 5.415 5.151 1.00 0.00 C ATOM 1572 C MET A 105 9.033 4.471 5.054 1.00 0.00 C ATOM 1573 O MET A 105 9.641 4.119 6.064 1.00 0.00 O ATOM 1574 CB MET A 105 6.560 4.670 4.780 1.00 0.00 C ATOM 1575 CG MET A 105 5.950 3.906 5.941 1.00 0.00 C ATOM 1576 SD MET A 105 7.021 2.586 6.543 1.00 0.00 S ATOM 1577 CE MET A 105 5.945 1.810 7.744 1.00 0.00 C ATOM 0 H MET A 105 7.275 6.695 3.588 1.00 0.00 H new ATOM 0 HA MET A 105 7.769 5.766 6.181 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.829 5.384 4.400 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.777 3.974 3.970 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.740 4.598 6.756 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.996 3.481 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.438 1.791 8.716 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.016 2.376 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.724 0.790 7.429 1.00 0.00 H new ATOM 1587 N VAL A 106 9.368 4.062 3.835 1.00 0.00 N ATOM 1588 CA VAL A 106 10.488 3.157 3.618 1.00 0.00 C ATOM 1589 C VAL A 106 11.788 3.768 4.130 1.00 0.00 C ATOM 1590 O VAL A 106 12.705 3.057 4.541 1.00 0.00 O ATOM 1591 CB VAL A 106 10.654 2.813 2.127 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.825 4.081 1.309 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.829 1.870 1.916 1.00 0.00 C ATOM 0 H VAL A 106 8.880 4.343 2.984 1.00 0.00 H new ATOM 0 HA VAL A 106 10.269 2.244 4.171 1.00 0.00 H new ATOM 0 HB VAL A 106 9.752 2.304 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.941 3.822 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.947 4.715 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.710 4.618 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.926 1.641 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.744 2.344 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.660 0.948 2.472 1.00 0.00 H new ATOM 1603 N HIS A 107 11.854 5.093 4.103 1.00 0.00 N ATOM 1604 CA HIS A 107 13.039 5.811 4.558 1.00 0.00 C ATOM 1605 C HIS A 107 13.064 5.941 6.079 1.00 0.00 C ATOM 1606 O HIS A 107 14.128 5.894 6.696 1.00 0.00 O ATOM 1607 CB HIS A 107 13.097 7.198 3.916 1.00 0.00 C ATOM 1608 CG HIS A 107 14.296 7.997 4.327 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.465 8.035 3.596 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.502 8.794 5.403 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.337 8.819 4.205 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.778 9.291 5.303 1.00 0.00 N ATOM 0 H HIS A 107 11.100 5.694 3.770 1.00 0.00 H new ATOM 0 HA HIS A 107 13.913 5.235 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.098 7.088 2.832 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.195 7.750 4.180 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.794 9.000 6.192 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.338 9.037 3.862 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.222 9.923 5.970 1.00 0.00 H new ATOM 1621 N SER A 108 11.890 6.103 6.682 1.00 0.00 N ATOM 1622 CA SER A 108 11.794 6.245 8.132 1.00 0.00 C ATOM 1623 C SER A 108 12.540 5.118 8.838 1.00 0.00 C ATOM 1624 O SER A 108 11.911 4.075 9.115 1.00 0.00 O ATOM 1625 CB SER A 108 10.333 6.260 8.577 1.00 0.00 C ATOM 1626 OG SER A 108 9.699 5.022 8.308 1.00 0.00 O ATOM 1627 OXT SER A 108 13.748 5.286 9.107 1.00 0.00 O ATOM 0 H SER A 108 10.996 6.139 6.193 1.00 0.00 H new ATOM 0 HA SER A 108 12.255 7.194 8.406 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.278 6.474 9.644 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.803 7.062 8.063 1.00 0.00 H new ATOM 0 HG SER A 108 9.345 5.027 7.394 1.00 0.00 H new TER 1633 SER A 108