USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 924 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: B 11 LYS NZ :NH3+ -176:sc= -0.642 (180deg=-0.732) USER MOD Set 1.2: B 19 TYR OH : rot -131:sc= 0.258 USER MOD Set 2.1: A 58 MET CE :methyl -166:sc= -2.74 (180deg=-3.44) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 57 HIS : no HD1:sc= 0.38 K(o=0.78,f=-0.55) USER MOD Set 3.2: A 61 SER OG : rot 119:sc= 0.4 USER MOD Set 4.1: A 20 GLN :FLIP amide:sc= -0.695 F(o=-4.5!,f=-0.65) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= 0.0401 F(o=-4,f=-0.65) USER MOD Set 5.1: A 8 THR OG1 : rot 150:sc= 0 USER MOD Set 5.2: A 11 MET CE :methyl -110:sc= -2.25 (180deg=-6.01!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.000387 X(o=-0.00039,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.2!) USER MOD Single : A 23 MET CE :methyl -139:sc= -5.63! (180deg=-11.1!) USER MOD Single : A 33 GLN : amide:sc= -3.21! C(o=-3.2!,f=-3.4!) USER MOD Single : A 35 MET CE :methyl -156:sc= -6.99! (180deg=-8.55!) USER MOD Single : A 36 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.7!) USER MOD Single : A 38 THR OG1 : rot -140:sc= 0.0073 USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= 0.217 (180deg=0.0212) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 46 MET CE :methyl -144:sc= -0.495 (180deg=-2.86!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= -0.175 (180deg=-1.18!) USER MOD Single : A 77 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.7!) USER MOD Single : A 79 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.11) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc=-0.00216 K(o=-0.0022,f=-1.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.06) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00348 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00887 USER MOD Single : B 1 VAL N :NH3+ 176:sc= -0.478 (180deg=-0.481) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 170:sc= 0.0247 USER MOD Single : B 5 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.6!) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.429 F(o=-3.2!,f=-0.43) USER MOD Single : B 9 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.0888 K(o=-0.089,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.115 -19.560 -11.237 1.00 0.00 N ATOM 2 CA GLY A 1 -4.941 -20.255 -11.835 1.00 0.00 C ATOM 3 C GLY A 1 -3.688 -19.396 -11.821 1.00 0.00 C ATOM 4 O GLY A 1 -2.885 -19.487 -10.893 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.944 -20.187 -11.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.906 -19.314 -10.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.316 -18.692 -11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.751 -21.178 -11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.174 -20.536 -12.862 1.00 0.00 H new ATOM 10 N PRO A 2 -3.493 -18.544 -12.846 1.00 0.00 N ATOM 11 CA PRO A 2 -2.315 -17.670 -12.934 1.00 0.00 C ATOM 12 C PRO A 2 -2.173 -16.767 -11.712 1.00 0.00 C ATOM 13 O PRO A 2 -1.160 -16.807 -11.015 1.00 0.00 O ATOM 14 CB PRO A 2 -2.578 -16.833 -14.189 1.00 0.00 C ATOM 15 CG PRO A 2 -3.541 -17.637 -14.993 1.00 0.00 C ATOM 16 CD PRO A 2 -4.396 -18.370 -13.998 1.00 0.00 C ATOM 0 HA PRO A 2 -1.388 -18.242 -12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.994 -15.858 -13.934 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.657 -16.651 -14.743 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.148 -16.995 -15.632 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.017 -18.334 -15.647 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.284 -17.798 -13.731 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.739 -19.328 -14.389 1.00 0.00 H new ATOM 24 N LEU A 3 -3.194 -15.955 -11.461 1.00 0.00 N ATOM 25 CA LEU A 3 -3.184 -15.041 -10.325 1.00 0.00 C ATOM 26 C LEU A 3 -3.497 -15.779 -9.028 1.00 0.00 C ATOM 27 O LEU A 3 -4.570 -16.363 -8.878 1.00 0.00 O ATOM 28 CB LEU A 3 -4.198 -13.916 -10.541 1.00 0.00 C ATOM 29 CG LEU A 3 -3.590 -12.527 -10.745 1.00 0.00 C ATOM 30 CD1 LEU A 3 -3.752 -12.081 -12.191 1.00 0.00 C ATOM 31 CD2 LEU A 3 -4.231 -11.521 -9.801 1.00 0.00 C ATOM 0 H LEU A 3 -4.040 -15.911 -12.030 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.185 -14.612 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.809 -14.160 -11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.867 -13.880 -9.681 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.525 -12.581 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.314 -11.091 -12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.247 -12.788 -12.849 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.812 -12.044 -12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.786 -10.539 -9.960 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.302 -11.470 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.064 -11.832 -8.770 1.00 0.00 H new ATOM 43 N GLY A 4 -2.551 -15.750 -8.094 1.00 0.00 N ATOM 44 CA GLY A 4 -2.743 -16.420 -6.821 1.00 0.00 C ATOM 45 C GLY A 4 -3.218 -15.478 -5.734 1.00 0.00 C ATOM 46 O GLY A 4 -3.827 -15.906 -4.754 1.00 0.00 O ATOM 0 H GLY A 4 -1.655 -15.274 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.469 -17.224 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.805 -16.882 -6.512 1.00 0.00 H new ATOM 50 N SER A 5 -2.939 -14.189 -5.909 1.00 0.00 N ATOM 51 CA SER A 5 -3.344 -13.182 -4.935 1.00 0.00 C ATOM 52 C SER A 5 -4.740 -12.649 -5.251 1.00 0.00 C ATOM 53 O SER A 5 -5.085 -12.449 -6.415 1.00 0.00 O ATOM 54 CB SER A 5 -2.340 -12.026 -4.915 1.00 0.00 C ATOM 55 OG SER A 5 -1.164 -12.360 -5.632 1.00 0.00 O ATOM 0 H SER A 5 -2.435 -13.819 -6.715 1.00 0.00 H new ATOM 0 HA SER A 5 -3.366 -13.653 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.795 -11.137 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.084 -11.780 -3.884 1.00 0.00 H new ATOM 0 HG SER A 5 -0.540 -11.605 -5.606 1.00 0.00 H new ATOM 61 N PRO A 6 -5.565 -12.411 -4.213 1.00 0.00 N ATOM 62 CA PRO A 6 -6.931 -11.903 -4.391 1.00 0.00 C ATOM 63 C PRO A 6 -6.956 -10.548 -5.092 1.00 0.00 C ATOM 64 O PRO A 6 -6.056 -9.727 -4.910 1.00 0.00 O ATOM 65 CB PRO A 6 -7.463 -11.773 -2.959 1.00 0.00 C ATOM 66 CG PRO A 6 -6.587 -12.656 -2.137 1.00 0.00 C ATOM 67 CD PRO A 6 -5.238 -12.624 -2.794 1.00 0.00 C ATOM 0 HA PRO A 6 -7.529 -12.564 -5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.417 -10.740 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.506 -12.084 -2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.529 -12.300 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.980 -13.672 -2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.616 -11.821 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.693 -13.555 -2.641 1.00 0.00 H new ATOM 75 N LEU A 7 -7.992 -10.322 -5.893 1.00 0.00 N ATOM 76 CA LEU A 7 -8.139 -9.064 -6.620 1.00 0.00 C ATOM 77 C LEU A 7 -8.849 -8.022 -5.762 1.00 0.00 C ATOM 78 O LEU A 7 -9.948 -8.261 -5.262 1.00 0.00 O ATOM 79 CB LEU A 7 -8.919 -9.291 -7.917 1.00 0.00 C ATOM 80 CG LEU A 7 -8.127 -9.034 -9.199 1.00 0.00 C ATOM 81 CD1 LEU A 7 -7.872 -10.340 -9.937 1.00 0.00 C ATOM 82 CD2 LEU A 7 -8.865 -8.049 -10.093 1.00 0.00 C ATOM 0 H LEU A 7 -8.743 -10.993 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.143 -8.692 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.281 -10.319 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.797 -8.644 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.165 -8.598 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.307 -10.139 -10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.302 -11.014 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.824 -10.804 -10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.287 -7.878 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.841 -8.457 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.997 -7.105 -9.564 1.00 0.00 H new ATOM 94 N THR A 8 -8.234 -6.850 -5.633 1.00 0.00 N ATOM 95 CA THR A 8 -8.804 -5.773 -4.833 1.00 0.00 C ATOM 96 C THR A 8 -9.742 -4.922 -5.676 1.00 0.00 C ATOM 97 O THR A 8 -10.709 -4.359 -5.163 1.00 0.00 O ATOM 98 CB THR A 8 -7.694 -4.904 -4.239 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.241 -3.899 -3.401 1.00 0.00 O ATOM 100 CG2 THR A 8 -6.842 -4.218 -5.285 1.00 0.00 C ATOM 0 H THR A 8 -7.342 -6.623 -6.072 1.00 0.00 H new ATOM 0 HA THR A 8 -9.375 -6.217 -4.017 1.00 0.00 H new ATOM 0 HB THR A 8 -7.061 -5.589 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.602 -3.681 -2.691 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.075 -3.619 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.367 -4.969 -5.917 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.470 -3.572 -5.899 1.00 0.00 H new ATOM 108 N ALA A 9 -9.467 -4.846 -6.975 1.00 0.00 N ATOM 109 CA ALA A 9 -10.333 -4.114 -7.887 1.00 0.00 C ATOM 110 C ALA A 9 -11.732 -4.711 -7.845 1.00 0.00 C ATOM 111 O ALA A 9 -12.733 -3.991 -7.844 1.00 0.00 O ATOM 112 CB ALA A 9 -9.777 -4.148 -9.302 1.00 0.00 C ATOM 0 H ALA A 9 -8.656 -5.280 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.380 -3.071 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.440 -3.595 -9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.787 -3.692 -9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.705 -5.182 -9.640 1.00 0.00 H new ATOM 118 N SER A 10 -11.787 -6.037 -7.766 1.00 0.00 N ATOM 119 CA SER A 10 -13.052 -6.746 -7.658 1.00 0.00 C ATOM 120 C SER A 10 -13.672 -6.487 -6.293 1.00 0.00 C ATOM 121 O SER A 10 -14.892 -6.384 -6.164 1.00 0.00 O ATOM 122 CB SER A 10 -12.844 -8.246 -7.871 1.00 0.00 C ATOM 123 OG SER A 10 -13.971 -8.985 -7.433 1.00 0.00 O ATOM 0 H SER A 10 -10.966 -6.642 -7.775 1.00 0.00 H new ATOM 0 HA SER A 10 -13.728 -6.381 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.663 -8.445 -8.927 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.957 -8.574 -7.329 1.00 0.00 H new ATOM 0 HG SER A 10 -13.813 -9.941 -7.582 1.00 0.00 H new ATOM 129 N MET A 11 -12.819 -6.338 -5.278 1.00 0.00 N ATOM 130 CA MET A 11 -13.294 -6.037 -3.933 1.00 0.00 C ATOM 131 C MET A 11 -13.966 -4.674 -3.915 1.00 0.00 C ATOM 132 O MET A 11 -14.975 -4.481 -3.244 1.00 0.00 O ATOM 133 CB MET A 11 -12.143 -6.050 -2.925 1.00 0.00 C ATOM 134 CG MET A 11 -11.352 -7.345 -2.915 1.00 0.00 C ATOM 135 SD MET A 11 -10.890 -7.866 -1.252 1.00 0.00 S ATOM 136 CE MET A 11 -9.599 -6.684 -0.871 1.00 0.00 C ATOM 0 H MET A 11 -11.806 -6.420 -5.363 1.00 0.00 H new ATOM 0 HA MET A 11 -14.012 -6.807 -3.649 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.467 -5.224 -3.148 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.544 -5.873 -1.927 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.943 -8.130 -3.386 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.451 -7.220 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.635 -7.192 -0.849 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.582 -5.906 -1.634 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.794 -6.234 0.102 1.00 0.00 H new ATOM 146 N LEU A 12 -13.413 -3.742 -4.687 1.00 0.00 N ATOM 147 CA LEU A 12 -13.964 -2.397 -4.781 1.00 0.00 C ATOM 148 C LEU A 12 -15.449 -2.459 -5.109 1.00 0.00 C ATOM 149 O LEU A 12 -16.278 -1.864 -4.421 1.00 0.00 O ATOM 150 CB LEU A 12 -13.226 -1.607 -5.866 1.00 0.00 C ATOM 151 CG LEU A 12 -12.238 -0.544 -5.369 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.364 -1.087 -4.245 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.375 -0.052 -6.522 1.00 0.00 C ATOM 0 H LEU A 12 -12.581 -3.896 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.835 -1.896 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.684 -2.312 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.967 -1.118 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.811 0.294 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.674 -0.311 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.994 -1.393 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.798 -1.945 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.677 0.702 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.818 -0.889 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.011 0.384 -7.292 1.00 0.00 H new ATOM 165 N ALA A 13 -15.773 -3.204 -6.161 1.00 0.00 N ATOM 166 CA ALA A 13 -17.156 -3.378 -6.583 1.00 0.00 C ATOM 167 C ALA A 13 -17.964 -4.152 -5.543 1.00 0.00 C ATOM 168 O ALA A 13 -19.168 -3.944 -5.402 1.00 0.00 O ATOM 169 CB ALA A 13 -17.206 -4.087 -7.927 1.00 0.00 C ATOM 0 H ALA A 13 -15.093 -3.698 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.605 -2.390 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.244 -4.212 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.677 -3.493 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.733 -5.065 -7.840 1.00 0.00 H new ATOM 175 N SER A 14 -17.299 -5.065 -4.838 1.00 0.00 N ATOM 176 CA SER A 14 -17.969 -5.897 -3.843 1.00 0.00 C ATOM 177 C SER A 14 -17.716 -5.403 -2.420 1.00 0.00 C ATOM 178 O SER A 14 -17.826 -6.170 -1.463 1.00 0.00 O ATOM 179 CB SER A 14 -17.504 -7.349 -3.975 1.00 0.00 C ATOM 180 OG SER A 14 -18.605 -8.224 -4.149 1.00 0.00 O ATOM 0 H SER A 14 -16.300 -5.246 -4.937 1.00 0.00 H new ATOM 0 HA SER A 14 -19.041 -5.833 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.825 -7.441 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.944 -7.637 -3.085 1.00 0.00 H new ATOM 0 HG SER A 14 -18.281 -9.145 -4.233 1.00 0.00 H new ATOM 186 N ALA A 15 -17.391 -4.122 -2.280 1.00 0.00 N ATOM 187 CA ALA A 15 -17.137 -3.545 -0.962 1.00 0.00 C ATOM 188 C ALA A 15 -17.768 -2.161 -0.832 1.00 0.00 C ATOM 189 O ALA A 15 -17.406 -1.237 -1.561 1.00 0.00 O ATOM 190 CB ALA A 15 -15.644 -3.470 -0.689 1.00 0.00 C ATOM 0 H ALA A 15 -17.297 -3.467 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.597 -4.198 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.476 -3.038 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.217 -4.472 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.167 -2.846 -1.445 1.00 0.00 H new ATOM 196 N PRO A 16 -18.713 -1.991 0.114 1.00 0.00 N ATOM 197 CA PRO A 16 -19.376 -0.702 0.344 1.00 0.00 C ATOM 198 C PRO A 16 -18.371 0.417 0.618 1.00 0.00 C ATOM 199 O PRO A 16 -17.185 0.154 0.817 1.00 0.00 O ATOM 200 CB PRO A 16 -20.245 -0.961 1.581 1.00 0.00 C ATOM 201 CG PRO A 16 -20.458 -2.434 1.597 1.00 0.00 C ATOM 202 CD PRO A 16 -19.202 -3.035 1.033 1.00 0.00 C ATOM 0 HA PRO A 16 -19.945 -0.372 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.748 -0.624 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -21.192 -0.425 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -20.642 -2.792 2.610 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.326 -2.710 0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.475 -3.256 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.402 -3.970 0.510 1.00 0.00 H new ATOM 210 N PRO A 17 -18.824 1.686 0.621 1.00 0.00 N ATOM 211 CA PRO A 17 -17.943 2.833 0.872 1.00 0.00 C ATOM 212 C PRO A 17 -17.255 2.748 2.231 1.00 0.00 C ATOM 213 O PRO A 17 -16.114 3.183 2.388 1.00 0.00 O ATOM 214 CB PRO A 17 -18.887 4.041 0.822 1.00 0.00 C ATOM 215 CG PRO A 17 -20.256 3.476 1.000 1.00 0.00 C ATOM 216 CD PRO A 17 -20.216 2.104 0.392 1.00 0.00 C ATOM 0 HA PRO A 17 -17.133 2.885 0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.651 4.757 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.800 4.570 -0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.525 3.428 2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.003 4.100 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.925 1.429 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.463 2.125 -0.670 1.00 0.00 H new ATOM 224 N GLN A 18 -17.956 2.182 3.210 1.00 0.00 N ATOM 225 CA GLN A 18 -17.413 2.036 4.557 1.00 0.00 C ATOM 226 C GLN A 18 -16.352 0.940 4.604 1.00 0.00 C ATOM 227 O GLN A 18 -15.655 0.778 5.607 1.00 0.00 O ATOM 228 CB GLN A 18 -18.533 1.717 5.549 1.00 0.00 C ATOM 229 CG GLN A 18 -19.457 2.892 5.822 1.00 0.00 C ATOM 230 CD GLN A 18 -19.661 3.139 7.304 1.00 0.00 C ATOM 231 OE1 GLN A 18 -19.390 4.230 7.806 1.00 0.00 O ATOM 232 NE2 GLN A 18 -20.142 2.124 8.013 1.00 0.00 N ATOM 0 H GLN A 18 -18.902 1.817 3.095 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.946 2.981 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.122 0.884 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.091 1.387 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.044 3.789 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.423 2.707 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -20.353 1.237 7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.301 2.232 9.015 1.00 0.00 H new ATOM 241 N GLU A 19 -16.239 0.187 3.514 1.00 0.00 N ATOM 242 CA GLU A 19 -15.273 -0.902 3.427 1.00 0.00 C ATOM 243 C GLU A 19 -13.937 -0.408 2.879 1.00 0.00 C ATOM 244 O GLU A 19 -13.064 -1.206 2.539 1.00 0.00 O ATOM 245 CB GLU A 19 -15.823 -2.016 2.534 1.00 0.00 C ATOM 246 CG GLU A 19 -15.310 -3.400 2.895 1.00 0.00 C ATOM 247 CD GLU A 19 -15.832 -3.887 4.233 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.062 -4.057 4.364 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.009 -4.100 5.149 1.00 0.00 O ATOM 0 H GLU A 19 -16.807 0.312 2.676 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.106 -1.291 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.911 -2.014 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.562 -1.801 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.602 -4.106 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.220 -3.384 2.919 1.00 0.00 H new ATOM 256 N GLN A 20 -13.785 0.911 2.799 1.00 0.00 N ATOM 257 CA GLN A 20 -12.557 1.519 2.291 1.00 0.00 C ATOM 258 C GLN A 20 -11.326 0.970 3.008 1.00 0.00 C ATOM 259 O GLN A 20 -10.434 0.399 2.382 1.00 0.00 O ATOM 260 CB GLN A 20 -12.612 3.040 2.455 1.00 0.00 C ATOM 261 CG GLN A 20 -13.270 3.494 3.749 1.00 0.00 C ATOM 262 CD GLN A 20 -12.431 4.502 4.508 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.470 4.010 5.281 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.643 5.710 4.400 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.500 1.582 3.080 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.477 1.270 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.598 3.437 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.155 3.468 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.242 3.933 3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.451 2.627 4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.393 6.044 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.069 6.377 4.916 1.00 0.00 H new ATOM 273 N LYS A 21 -11.297 1.127 4.323 1.00 0.00 N ATOM 274 CA LYS A 21 -10.160 0.681 5.121 1.00 0.00 C ATOM 275 C LYS A 21 -9.871 -0.802 4.905 1.00 0.00 C ATOM 276 O LYS A 21 -8.769 -1.271 5.179 1.00 0.00 O ATOM 277 CB LYS A 21 -10.414 0.944 6.609 1.00 0.00 C ATOM 278 CG LYS A 21 -11.886 1.060 6.978 1.00 0.00 C ATOM 279 CD LYS A 21 -12.616 -0.261 6.796 1.00 0.00 C ATOM 280 CE LYS A 21 -12.656 -1.060 8.088 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.025 -1.103 8.674 1.00 0.00 N ATOM 0 H LYS A 21 -12.047 1.560 4.862 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.289 1.250 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.967 0.138 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.905 1.864 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.977 1.387 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.357 1.824 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.633 -0.071 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.122 -0.847 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.311 -2.076 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.967 -0.620 8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.009 -1.657 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.345 -0.135 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.678 -1.547 7.997 1.00 0.00 H new ATOM 295 N GLN A 22 -10.871 -1.542 4.443 1.00 0.00 N ATOM 296 CA GLN A 22 -10.706 -2.968 4.193 1.00 0.00 C ATOM 297 C GLN A 22 -9.865 -3.228 2.943 1.00 0.00 C ATOM 298 O GLN A 22 -8.681 -3.555 3.032 1.00 0.00 O ATOM 299 CB GLN A 22 -12.069 -3.647 4.054 1.00 0.00 C ATOM 300 CG GLN A 22 -11.977 -5.129 3.730 1.00 0.00 C ATOM 301 CD GLN A 22 -11.898 -5.996 4.973 1.00 0.00 C ATOM 302 OE1 GLN A 22 -12.139 -5.529 6.086 1.00 0.00 O ATOM 303 NE2 GLN A 22 -11.557 -7.266 4.787 1.00 0.00 N ATOM 0 H GLN A 22 -11.802 -1.180 4.234 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.179 -3.391 5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.626 -3.520 4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.637 -3.146 3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.846 -5.423 3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.098 -5.308 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.366 -7.610 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.486 -7.897 5.585 1.00 0.00 H new ATOM 312 N MET A 23 -10.505 -3.125 1.781 1.00 0.00 N ATOM 313 CA MET A 23 -9.852 -3.414 0.505 1.00 0.00 C ATOM 314 C MET A 23 -8.794 -2.374 0.127 1.00 0.00 C ATOM 315 O MET A 23 -7.626 -2.489 0.500 1.00 0.00 O ATOM 316 CB MET A 23 -10.890 -3.522 -0.624 1.00 0.00 C ATOM 317 CG MET A 23 -12.263 -2.968 -0.271 1.00 0.00 C ATOM 318 SD MET A 23 -12.308 -1.165 -0.281 1.00 0.00 S ATOM 319 CE MET A 23 -13.585 -0.857 -1.496 1.00 0.00 C ATOM 0 H MET A 23 -11.481 -2.842 1.696 1.00 0.00 H new ATOM 0 HA MET A 23 -9.342 -4.369 0.634 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.513 -2.994 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 23 -10.996 -4.570 -0.905 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.998 -3.350 -0.980 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.554 -3.329 0.715 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.289 -0.022 -2.131 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.726 -1.747 -2.109 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.519 -0.614 -0.989 1.00 0.00 H new ATOM 329 N LEU A 24 -9.212 -1.397 -0.673 1.00 0.00 N ATOM 330 CA LEU A 24 -8.318 -0.382 -1.224 1.00 0.00 C ATOM 331 C LEU A 24 -7.604 0.451 -0.164 1.00 0.00 C ATOM 332 O LEU A 24 -6.833 1.350 -0.503 1.00 0.00 O ATOM 333 CB LEU A 24 -9.131 0.541 -2.151 1.00 0.00 C ATOM 334 CG LEU A 24 -9.681 1.836 -1.531 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.620 2.526 -2.506 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.394 1.567 -0.223 1.00 0.00 C ATOM 0 H LEU A 24 -10.185 -1.286 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.535 -0.907 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.501 0.811 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.971 -0.030 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.835 2.491 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.003 3.442 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.080 2.770 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.452 1.862 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.769 2.505 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.228 0.887 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.699 1.115 0.484 1.00 0.00 H new ATOM 348 N GLY A 25 -7.880 0.196 1.109 1.00 0.00 N ATOM 349 CA GLY A 25 -7.315 1.042 2.137 1.00 0.00 C ATOM 350 C GLY A 25 -7.889 2.428 1.985 1.00 0.00 C ATOM 351 O GLY A 25 -9.101 2.613 2.076 1.00 0.00 O ATOM 0 H GLY A 25 -8.472 -0.565 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.545 0.643 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.229 1.070 2.050 1.00 0.00 H new ATOM 355 N GLU A 26 -7.040 3.395 1.699 1.00 0.00 N ATOM 356 CA GLU A 26 -7.524 4.704 1.316 1.00 0.00 C ATOM 357 C GLU A 26 -8.009 4.613 -0.128 1.00 0.00 C ATOM 358 O GLU A 26 -9.204 4.690 -0.416 1.00 0.00 O ATOM 359 CB GLU A 26 -6.421 5.755 1.458 1.00 0.00 C ATOM 360 CG GLU A 26 -6.566 6.621 2.698 1.00 0.00 C ATOM 361 CD GLU A 26 -6.397 5.835 3.982 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.238 5.556 4.358 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.421 5.497 4.612 1.00 0.00 O ATOM 0 H GLU A 26 -6.025 3.301 1.724 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.341 5.011 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.454 5.254 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.423 6.395 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.826 7.421 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.548 7.094 2.693 1.00 0.00 H new ATOM 370 N ARG A 27 -7.044 4.399 -1.015 1.00 0.00 N ATOM 371 CA ARG A 27 -7.279 4.191 -2.437 1.00 0.00 C ATOM 372 C ARG A 27 -6.056 3.494 -3.021 1.00 0.00 C ATOM 373 O ARG A 27 -5.918 3.335 -4.231 1.00 0.00 O ATOM 374 CB ARG A 27 -7.507 5.533 -3.144 1.00 0.00 C ATOM 375 CG ARG A 27 -7.928 5.415 -4.605 1.00 0.00 C ATOM 376 CD ARG A 27 -8.815 4.204 -4.847 1.00 0.00 C ATOM 377 NE ARG A 27 -9.199 4.075 -6.251 1.00 0.00 N ATOM 378 CZ ARG A 27 -10.296 3.444 -6.663 1.00 0.00 C ATOM 379 NH1 ARG A 27 -11.124 2.903 -5.783 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.571 3.369 -7.958 1.00 0.00 N ATOM 0 H ARG A 27 -6.057 4.365 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.169 3.579 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.272 6.089 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.589 6.118 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.459 6.319 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.040 5.345 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.291 3.302 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.712 4.283 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.591 4.493 -6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.922 2.969 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.964 2.420 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.942 3.795 -8.638 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.412 2.885 -8.274 1.00 0.00 H new ATOM 394 N LEU A 28 -5.159 3.112 -2.120 1.00 0.00 N ATOM 395 CA LEU A 28 -3.856 2.566 -2.473 1.00 0.00 C ATOM 396 C LEU A 28 -3.916 1.300 -3.322 1.00 0.00 C ATOM 397 O LEU A 28 -3.636 1.341 -4.520 1.00 0.00 O ATOM 398 CB LEU A 28 -3.072 2.296 -1.190 1.00 0.00 C ATOM 399 CG LEU A 28 -2.249 3.485 -0.688 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.699 3.904 0.703 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.769 3.148 -0.692 1.00 0.00 C ATOM 0 H LEU A 28 -5.318 3.173 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.359 3.312 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.770 1.998 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.403 1.452 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.413 4.323 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.100 4.750 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.750 4.191 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.570 3.071 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.200 4.005 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.589 2.293 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.454 2.904 -1.707 1.00 0.00 H new ATOM 413 N PHE A 29 -4.195 0.173 -2.676 1.00 0.00 N ATOM 414 CA PHE A 29 -4.185 -1.138 -3.332 1.00 0.00 C ATOM 415 C PHE A 29 -4.621 -1.094 -4.809 1.00 0.00 C ATOM 416 O PHE A 29 -3.931 -1.649 -5.662 1.00 0.00 O ATOM 417 CB PHE A 29 -5.043 -2.134 -2.545 1.00 0.00 C ATOM 418 CG PHE A 29 -4.372 -3.464 -2.324 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.648 -4.073 -3.339 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.466 -4.105 -1.098 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.030 -5.291 -3.134 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.848 -5.324 -0.889 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.136 -5.920 -1.910 1.00 0.00 C ATOM 0 H PHE A 29 -4.434 0.138 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.147 -1.471 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.296 -1.699 -1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.981 -2.293 -3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.567 -3.589 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.028 -3.647 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.464 -5.751 -3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.922 -5.810 0.073 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.662 -6.878 -1.751 1.00 0.00 H new ATOM 433 N PRO A 30 -5.753 -0.438 -5.150 1.00 0.00 N ATOM 434 CA PRO A 30 -6.250 -0.391 -6.538 1.00 0.00 C ATOM 435 C PRO A 30 -5.306 0.324 -7.509 1.00 0.00 C ATOM 436 O PRO A 30 -5.120 -0.130 -8.640 1.00 0.00 O ATOM 437 CB PRO A 30 -7.578 0.363 -6.433 1.00 0.00 C ATOM 438 CG PRO A 30 -7.513 1.086 -5.135 1.00 0.00 C ATOM 439 CD PRO A 30 -6.675 0.235 -4.225 1.00 0.00 C ATOM 0 HA PRO A 30 -6.343 -1.398 -6.946 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.704 1.057 -7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.424 -0.324 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.071 2.074 -5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.510 1.234 -4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.140 0.837 -3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.282 -0.480 -3.670 1.00 0.00 H new ATOM 447 N LEU A 31 -4.681 1.420 -7.074 1.00 0.00 N ATOM 448 CA LEU A 31 -3.766 2.143 -7.962 1.00 0.00 C ATOM 449 C LEU A 31 -2.513 1.318 -8.178 1.00 0.00 C ATOM 450 O LEU A 31 -2.052 1.143 -9.308 1.00 0.00 O ATOM 451 CB LEU A 31 -3.376 3.511 -7.394 1.00 0.00 C ATOM 452 CG LEU A 31 -4.268 4.035 -6.280 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.425 4.548 -5.125 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.191 5.124 -6.801 1.00 0.00 C ATOM 0 H LEU A 31 -4.786 1.818 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.284 2.307 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.354 3.452 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.376 4.236 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.886 3.214 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.078 4.920 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.810 3.737 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.782 5.356 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.821 5.486 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.596 5.948 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.819 4.720 -7.595 1.00 0.00 H new ATOM 466 N ILE A 32 -1.984 0.777 -7.092 1.00 0.00 N ATOM 467 CA ILE A 32 -0.820 -0.075 -7.181 1.00 0.00 C ATOM 468 C ILE A 32 -1.214 -1.421 -7.766 1.00 0.00 C ATOM 469 O ILE A 32 -0.360 -2.214 -8.145 1.00 0.00 O ATOM 470 CB ILE A 32 -0.147 -0.296 -5.816 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.589 0.779 -4.816 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.364 -0.292 -5.980 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.075 0.671 -3.462 1.00 0.00 C ATOM 0 H ILE A 32 -2.343 0.914 -6.147 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.102 0.429 -7.827 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.454 -1.265 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.375 1.762 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.669 0.717 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.836 -0.449 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.658 -1.091 -6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.683 0.667 -6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.291 1.467 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.160 -0.296 -3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.155 0.765 -3.578 1.00 0.00 H new ATOM 485 N GLN A 33 -2.520 -1.680 -7.825 1.00 0.00 N ATOM 486 CA GLN A 33 -3.016 -2.912 -8.421 1.00 0.00 C ATOM 487 C GLN A 33 -2.622 -2.938 -9.888 1.00 0.00 C ATOM 488 O GLN A 33 -2.220 -3.972 -10.422 1.00 0.00 O ATOM 489 CB GLN A 33 -4.532 -3.027 -8.266 1.00 0.00 C ATOM 490 CG GLN A 33 -5.130 -4.232 -8.974 1.00 0.00 C ATOM 491 CD GLN A 33 -5.125 -5.479 -8.111 1.00 0.00 C ATOM 492 OE1 GLN A 33 -6.169 -6.086 -7.873 1.00 0.00 O ATOM 493 NE2 GLN A 33 -3.946 -5.869 -7.639 1.00 0.00 N ATOM 0 H GLN A 33 -3.245 -1.057 -7.470 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.573 -3.765 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.777 -3.082 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.998 -2.121 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.154 -4.004 -9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.570 -4.426 -9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.106 -5.335 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.881 -6.702 -7.054 1.00 0.00 H new ATOM 502 N ALA A 34 -2.683 -1.772 -10.520 1.00 0.00 N ATOM 503 CA ALA A 34 -2.225 -1.632 -11.893 1.00 0.00 C ATOM 504 C ALA A 34 -0.705 -1.746 -11.918 1.00 0.00 C ATOM 505 O ALA A 34 -0.114 -2.227 -12.886 1.00 0.00 O ATOM 506 CB ALA A 34 -2.678 -0.305 -12.481 1.00 0.00 C ATOM 0 H ALA A 34 -3.044 -0.914 -10.104 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.659 -2.424 -12.504 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.324 -0.222 -13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.767 -0.254 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.269 0.514 -11.889 1.00 0.00 H new ATOM 512 N MET A 35 -0.090 -1.344 -10.806 1.00 0.00 N ATOM 513 CA MET A 35 1.358 -1.424 -10.634 1.00 0.00 C ATOM 514 C MET A 35 1.719 -2.646 -9.799 1.00 0.00 C ATOM 515 O MET A 35 2.753 -2.677 -9.130 1.00 0.00 O ATOM 516 CB MET A 35 1.867 -0.158 -9.949 1.00 0.00 C ATOM 517 CG MET A 35 1.272 1.110 -10.532 1.00 0.00 C ATOM 518 SD MET A 35 1.809 2.602 -9.681 1.00 0.00 S ATOM 519 CE MET A 35 0.245 3.455 -9.513 1.00 0.00 C ATOM 0 H MET A 35 -0.581 -0.955 -10.001 1.00 0.00 H new ATOM 0 HA MET A 35 1.827 -1.515 -11.614 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.633 -0.207 -8.886 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.953 -0.116 -10.035 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.546 1.181 -11.585 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.185 1.046 -10.489 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.423 4.526 -9.412 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.367 3.271 -10.396 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.276 3.089 -8.628 1.00 0.00 H new ATOM 529 N HIS A 36 0.841 -3.647 -9.835 1.00 0.00 N ATOM 530 CA HIS A 36 1.017 -4.861 -9.048 1.00 0.00 C ATOM 531 C HIS A 36 2.252 -5.676 -9.460 1.00 0.00 C ATOM 532 O HIS A 36 2.841 -6.335 -8.604 1.00 0.00 O ATOM 533 CB HIS A 36 -0.248 -5.725 -9.108 1.00 0.00 C ATOM 534 CG HIS A 36 -0.189 -6.847 -10.099 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.466 -8.023 -9.817 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.723 -6.927 -11.343 1.00 0.00 C ATOM 537 CE1 HIS A 36 0.323 -8.784 -10.887 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.389 -8.162 -11.836 1.00 0.00 N ATOM 0 H HIS A 36 -0.004 -3.638 -10.406 1.00 0.00 H new ATOM 0 HA HIS A 36 1.189 -4.544 -8.019 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.435 -6.141 -8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.097 -5.087 -9.351 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.299 -6.166 -11.847 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.728 -9.780 -10.984 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.636 -8.536 -12.752 1.00 0.00 H new ATOM 546 N PRO A 37 2.670 -5.665 -10.758 1.00 0.00 N ATOM 547 CA PRO A 37 3.857 -6.400 -11.206 1.00 0.00 C ATOM 548 C PRO A 37 4.937 -6.451 -10.132 1.00 0.00 C ATOM 549 O PRO A 37 5.623 -7.462 -9.973 1.00 0.00 O ATOM 550 CB PRO A 37 4.315 -5.579 -12.404 1.00 0.00 C ATOM 551 CG PRO A 37 3.047 -5.085 -13.014 1.00 0.00 C ATOM 552 CD PRO A 37 2.053 -4.931 -11.885 1.00 0.00 C ATOM 0 HA PRO A 37 3.650 -7.445 -11.438 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.958 -4.754 -12.099 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.886 -6.185 -13.107 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.207 -4.134 -13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.678 -5.787 -13.762 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.891 -3.882 -11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.082 -5.349 -12.149 1.00 0.00 H new ATOM 560 N THR A 38 5.043 -5.372 -9.363 1.00 0.00 N ATOM 561 CA THR A 38 5.962 -5.322 -8.237 1.00 0.00 C ATOM 562 C THR A 38 5.360 -6.088 -7.061 1.00 0.00 C ATOM 563 O THR A 38 5.535 -7.301 -6.952 1.00 0.00 O ATOM 564 CB THR A 38 6.251 -3.870 -7.845 1.00 0.00 C ATOM 565 OG1 THR A 38 6.107 -3.012 -8.964 1.00 0.00 O ATOM 566 CG2 THR A 38 7.642 -3.665 -7.285 1.00 0.00 C ATOM 0 H THR A 38 4.501 -4.519 -9.502 1.00 0.00 H new ATOM 0 HA THR A 38 6.906 -5.787 -8.521 1.00 0.00 H new ATOM 0 HB THR A 38 5.526 -3.631 -7.067 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.816 -2.335 -8.951 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.780 -2.615 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.768 -4.277 -6.392 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.381 -3.956 -8.031 1.00 0.00 H new ATOM 574 N LEU A 39 4.617 -5.384 -6.206 1.00 0.00 N ATOM 575 CA LEU A 39 3.940 -6.020 -5.078 1.00 0.00 C ATOM 576 C LEU A 39 2.999 -5.042 -4.371 1.00 0.00 C ATOM 577 O LEU A 39 3.223 -4.683 -3.215 1.00 0.00 O ATOM 578 CB LEU A 39 4.956 -6.584 -4.083 1.00 0.00 C ATOM 579 CG LEU A 39 4.630 -7.977 -3.530 1.00 0.00 C ATOM 580 CD1 LEU A 39 3.290 -7.968 -2.808 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.630 -9.012 -4.645 1.00 0.00 C ATOM 0 H LEU A 39 4.470 -4.377 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 39 3.343 -6.842 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.931 -6.623 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.044 -5.891 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 39 5.404 -8.248 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.077 -8.965 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.328 -7.260 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.504 -7.672 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.397 -9.993 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.880 -8.745 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.613 -9.041 -5.114 1.00 0.00 H new ATOM 593 N ALA A 40 1.934 -4.638 -5.066 1.00 0.00 N ATOM 594 CA ALA A 40 0.949 -3.709 -4.509 1.00 0.00 C ATOM 595 C ALA A 40 0.534 -4.100 -3.090 1.00 0.00 C ATOM 596 O ALA A 40 0.159 -3.246 -2.287 1.00 0.00 O ATOM 597 CB ALA A 40 -0.277 -3.648 -5.411 1.00 0.00 C ATOM 0 H ALA A 40 1.731 -4.941 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 40 1.416 -2.725 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.005 -2.955 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.018 -3.306 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.723 -4.640 -5.487 1.00 0.00 H new ATOM 603 N GLY A 41 0.595 -5.396 -2.797 1.00 0.00 N ATOM 604 CA GLY A 41 0.193 -5.896 -1.492 1.00 0.00 C ATOM 605 C GLY A 41 0.827 -5.157 -0.327 1.00 0.00 C ATOM 606 O GLY A 41 0.122 -4.581 0.501 1.00 0.00 O ATOM 0 H GLY A 41 0.918 -6.114 -3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.891 -5.827 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.452 -6.953 -1.423 1.00 0.00 H new ATOM 610 N LYS A 42 2.150 -5.210 -0.235 1.00 0.00 N ATOM 611 CA LYS A 42 2.859 -4.585 0.877 1.00 0.00 C ATOM 612 C LYS A 42 2.913 -3.069 0.740 1.00 0.00 C ATOM 613 O LYS A 42 2.900 -2.349 1.739 1.00 0.00 O ATOM 614 CB LYS A 42 4.281 -5.144 0.994 1.00 0.00 C ATOM 615 CG LYS A 42 5.024 -4.687 2.244 1.00 0.00 C ATOM 616 CD LYS A 42 4.116 -4.649 3.465 1.00 0.00 C ATOM 617 CE LYS A 42 4.677 -3.738 4.546 1.00 0.00 C ATOM 618 NZ LYS A 42 5.753 -4.403 5.332 1.00 0.00 N ATOM 0 H LYS A 42 2.752 -5.677 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 42 2.301 -4.821 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.234 -6.233 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.852 -4.845 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.860 -5.360 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.444 -3.696 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.125 -4.302 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.996 -5.657 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.071 -2.831 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.873 -3.433 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.465 -3.698 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.343 -4.838 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.204 -5.138 4.751 1.00 0.00 H new ATOM 632 N ILE A 43 2.997 -2.587 -0.493 1.00 0.00 N ATOM 633 CA ILE A 43 3.083 -1.153 -0.745 1.00 0.00 C ATOM 634 C ILE A 43 1.932 -0.400 -0.082 1.00 0.00 C ATOM 635 O ILE A 43 2.160 0.498 0.730 1.00 0.00 O ATOM 636 CB ILE A 43 3.101 -0.839 -2.250 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.130 -1.720 -2.962 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.414 0.631 -2.474 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.026 -1.675 -4.470 1.00 0.00 C ATOM 0 H ILE A 43 3.007 -3.166 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 43 4.024 -0.817 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 43 2.116 -1.052 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.131 -1.407 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.007 -2.750 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.424 0.842 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.652 1.243 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.390 0.864 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.786 -2.323 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.038 -2.017 -4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.179 -0.652 -4.815 1.00 0.00 H new ATOM 651 N THR A 44 0.697 -0.769 -0.421 1.00 0.00 N ATOM 652 CA THR A 44 -0.475 -0.134 0.166 1.00 0.00 C ATOM 653 C THR A 44 -0.373 -0.126 1.686 1.00 0.00 C ATOM 654 O THR A 44 -0.605 0.896 2.329 1.00 0.00 O ATOM 655 CB THR A 44 -1.751 -0.861 -0.269 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.899 -0.217 0.254 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.801 -2.305 0.174 1.00 0.00 C ATOM 0 H THR A 44 0.486 -1.503 -1.097 1.00 0.00 H new ATOM 0 HA THR A 44 -0.519 0.896 -0.188 1.00 0.00 H new ATOM 0 HB THR A 44 -1.739 -0.831 -1.359 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.703 -0.696 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.731 -2.758 -0.168 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.956 -2.846 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.752 -2.354 1.262 1.00 0.00 H new ATOM 665 N GLY A 45 0.013 -1.270 2.244 1.00 0.00 N ATOM 666 CA GLY A 45 0.139 -1.400 3.684 1.00 0.00 C ATOM 667 C GLY A 45 0.945 -0.284 4.318 1.00 0.00 C ATOM 668 O GLY A 45 0.413 0.495 5.104 1.00 0.00 O ATOM 0 H GLY A 45 0.242 -2.114 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.856 -1.418 4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.609 -2.356 3.916 1.00 0.00 H new ATOM 672 N MET A 46 2.229 -0.207 3.984 1.00 0.00 N ATOM 673 CA MET A 46 3.109 0.807 4.561 1.00 0.00 C ATOM 674 C MET A 46 2.568 2.218 4.342 1.00 0.00 C ATOM 675 O MET A 46 2.535 3.027 5.270 1.00 0.00 O ATOM 676 CB MET A 46 4.522 0.696 3.979 1.00 0.00 C ATOM 677 CG MET A 46 4.568 0.150 2.560 1.00 0.00 C ATOM 678 SD MET A 46 5.748 -1.201 2.372 1.00 0.00 S ATOM 679 CE MET A 46 7.267 -0.400 2.883 1.00 0.00 C ATOM 0 H MET A 46 2.684 -0.832 3.319 1.00 0.00 H new ATOM 0 HA MET A 46 3.149 0.623 5.635 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.988 1.681 3.993 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.120 0.052 4.624 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.575 -0.198 2.277 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.831 0.955 1.874 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.096 -0.774 2.282 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.175 0.677 2.744 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.456 -0.615 3.935 1.00 0.00 H new ATOM 689 N LEU A 47 2.162 2.517 3.113 1.00 0.00 N ATOM 690 CA LEU A 47 1.652 3.845 2.782 1.00 0.00 C ATOM 691 C LEU A 47 0.195 4.012 3.210 1.00 0.00 C ATOM 692 O LEU A 47 -0.433 5.026 2.904 1.00 0.00 O ATOM 693 CB LEU A 47 1.780 4.113 1.278 1.00 0.00 C ATOM 694 CG LEU A 47 3.203 4.369 0.767 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.882 5.462 1.582 1.00 0.00 C ATOM 696 CD2 LEU A 47 4.025 3.088 0.797 1.00 0.00 C ATOM 0 H LEU A 47 2.175 1.862 2.331 1.00 0.00 H new ATOM 0 HA LEU A 47 2.255 4.568 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.368 3.260 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.163 4.976 1.028 1.00 0.00 H new ATOM 0 HG LEU A 47 3.136 4.708 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.890 5.626 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.309 6.385 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.934 5.157 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.031 3.293 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.080 2.715 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.553 2.338 0.162 1.00 0.00 H new ATOM 708 N LEU A 48 -0.342 3.021 3.919 1.00 0.00 N ATOM 709 CA LEU A 48 -1.728 3.084 4.379 1.00 0.00 C ATOM 710 C LEU A 48 -1.908 4.201 5.404 1.00 0.00 C ATOM 711 O LEU A 48 -3.028 4.531 5.791 1.00 0.00 O ATOM 712 CB LEU A 48 -2.175 1.737 4.960 1.00 0.00 C ATOM 713 CG LEU A 48 -3.543 1.245 4.480 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.582 2.348 4.578 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.448 0.734 3.053 1.00 0.00 C ATOM 0 H LEU A 48 0.156 2.172 4.186 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.359 3.306 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.427 0.985 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.196 1.816 6.047 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.856 0.426 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.545 1.973 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.671 2.673 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.277 3.191 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.428 0.387 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.110 1.539 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.738 -0.091 3.009 1.00 0.00 H new ATOM 727 N GLU A 49 -0.796 4.810 5.807 1.00 0.00 N ATOM 728 CA GLU A 49 -0.835 5.925 6.747 1.00 0.00 C ATOM 729 C GLU A 49 -1.161 7.223 6.015 1.00 0.00 C ATOM 730 O GLU A 49 -0.950 8.317 6.540 1.00 0.00 O ATOM 731 CB GLU A 49 0.507 6.057 7.473 1.00 0.00 C ATOM 732 CG GLU A 49 0.869 4.841 8.308 1.00 0.00 C ATOM 733 CD GLU A 49 1.131 5.187 9.763 1.00 0.00 C ATOM 734 OE1 GLU A 49 0.645 6.243 10.219 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.817 4.398 10.447 1.00 0.00 O ATOM 0 H GLU A 49 0.141 4.551 5.498 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.615 5.729 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.293 6.229 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.476 6.935 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.060 4.113 8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.755 4.366 7.886 1.00 0.00 H new ATOM 742 N ILE A 50 -1.682 7.088 4.797 1.00 0.00 N ATOM 743 CA ILE A 50 -2.027 8.239 3.973 1.00 0.00 C ATOM 744 C ILE A 50 -3.406 8.787 4.342 1.00 0.00 C ATOM 745 O ILE A 50 -4.207 8.102 4.978 1.00 0.00 O ATOM 746 CB ILE A 50 -1.977 7.875 2.470 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.274 8.975 1.677 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.368 7.623 1.905 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.785 8.514 0.322 1.00 0.00 C ATOM 0 H ILE A 50 -1.874 6.187 4.359 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.288 9.017 4.165 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.408 6.950 2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.959 9.812 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.427 9.346 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.291 7.370 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.835 6.797 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.976 8.521 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.295 9.343 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.075 7.697 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.631 8.170 -0.273 1.00 0.00 H new ATOM 761 N ASP A 51 -3.662 10.035 3.959 1.00 0.00 N ATOM 762 CA ASP A 51 -4.928 10.692 4.268 1.00 0.00 C ATOM 763 C ASP A 51 -6.080 10.111 3.457 1.00 0.00 C ATOM 764 O ASP A 51 -5.875 9.541 2.386 1.00 0.00 O ATOM 765 CB ASP A 51 -4.821 12.189 3.984 1.00 0.00 C ATOM 766 CG ASP A 51 -4.135 12.946 5.105 1.00 0.00 C ATOM 767 OD1 ASP A 51 -2.890 12.895 5.180 1.00 0.00 O ATOM 768 OD2 ASP A 51 -4.844 13.587 5.908 1.00 0.00 O ATOM 0 H ASP A 51 -3.007 10.613 3.432 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.134 10.523 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.269 12.341 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.819 12.599 3.831 1.00 0.00 H new ATOM 773 N ASN A 52 -7.298 10.300 3.960 1.00 0.00 N ATOM 774 CA ASN A 52 -8.494 9.846 3.261 1.00 0.00 C ATOM 775 C ASN A 52 -8.955 10.915 2.276 1.00 0.00 C ATOM 776 O ASN A 52 -9.543 10.611 1.239 1.00 0.00 O ATOM 777 CB ASN A 52 -9.611 9.524 4.256 1.00 0.00 C ATOM 778 CG ASN A 52 -9.580 8.076 4.710 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.248 7.204 3.961 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.965 7.745 5.724 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.481 10.765 4.849 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.254 8.936 2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.520 10.176 5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.576 9.738 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.466 8.447 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.955 6.768 6.018 1.00 0.00 H new ATOM 787 N SER A 53 -8.665 12.170 2.599 1.00 0.00 N ATOM 788 CA SER A 53 -8.995 13.275 1.712 1.00 0.00 C ATOM 789 C SER A 53 -8.041 13.277 0.525 1.00 0.00 C ATOM 790 O SER A 53 -8.415 13.622 -0.599 1.00 0.00 O ATOM 791 CB SER A 53 -8.907 14.607 2.462 1.00 0.00 C ATOM 792 OG SER A 53 -8.361 15.623 1.640 1.00 0.00 O ATOM 0 H SER A 53 -8.204 12.446 3.466 1.00 0.00 H new ATOM 0 HA SER A 53 -10.017 13.150 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.900 14.903 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.290 14.486 3.353 1.00 0.00 H new ATOM 0 HG SER A 53 -8.318 16.463 2.143 1.00 0.00 H new ATOM 798 N GLU A 54 -6.809 12.846 0.785 1.00 0.00 N ATOM 799 CA GLU A 54 -5.787 12.771 -0.247 1.00 0.00 C ATOM 800 C GLU A 54 -6.032 11.571 -1.158 1.00 0.00 C ATOM 801 O GLU A 54 -5.671 11.591 -2.335 1.00 0.00 O ATOM 802 CB GLU A 54 -4.395 12.685 0.395 1.00 0.00 C ATOM 803 CG GLU A 54 -3.857 11.270 0.529 1.00 0.00 C ATOM 804 CD GLU A 54 -2.915 10.899 -0.598 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.973 11.676 -0.863 1.00 0.00 O ATOM 806 OE2 GLU A 54 -3.118 9.832 -1.215 1.00 0.00 O ATOM 0 H GLU A 54 -6.497 12.543 1.707 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.837 13.675 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.696 13.273 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.434 13.142 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.336 11.171 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.691 10.568 0.548 1.00 0.00 H new ATOM 813 N LEU A 55 -6.655 10.530 -0.609 1.00 0.00 N ATOM 814 CA LEU A 55 -6.955 9.330 -1.378 1.00 0.00 C ATOM 815 C LEU A 55 -7.864 9.667 -2.552 1.00 0.00 C ATOM 816 O LEU A 55 -7.608 9.266 -3.688 1.00 0.00 O ATOM 817 CB LEU A 55 -7.590 8.260 -0.472 1.00 0.00 C ATOM 818 CG LEU A 55 -9.123 8.267 -0.361 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.768 7.544 -1.535 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.559 7.627 0.947 1.00 0.00 C ATOM 0 H LEU A 55 -6.960 10.496 0.364 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.025 8.925 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.280 7.280 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.176 8.374 0.530 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.454 9.305 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.852 7.567 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.487 8.037 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.428 6.509 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.647 7.639 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.204 6.597 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.139 8.186 1.783 1.00 0.00 H new ATOM 832 N LEU A 56 -8.913 10.428 -2.269 1.00 0.00 N ATOM 833 CA LEU A 56 -9.863 10.837 -3.292 1.00 0.00 C ATOM 834 C LEU A 56 -9.155 11.602 -4.405 1.00 0.00 C ATOM 835 O LEU A 56 -9.401 11.364 -5.587 1.00 0.00 O ATOM 836 CB LEU A 56 -10.964 11.699 -2.674 1.00 0.00 C ATOM 837 CG LEU A 56 -11.934 12.339 -3.671 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.745 11.269 -4.388 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.852 13.325 -2.965 1.00 0.00 C ATOM 0 H LEU A 56 -9.127 10.775 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.315 9.943 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.537 11.084 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.497 12.491 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.353 12.885 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.429 11.742 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.072 10.603 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.316 10.695 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.534 13.770 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.426 12.804 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.255 14.109 -2.500 1.00 0.00 H new ATOM 851 N HIS A 57 -8.260 12.507 -4.018 1.00 0.00 N ATOM 852 CA HIS A 57 -7.502 13.291 -4.988 1.00 0.00 C ATOM 853 C HIS A 57 -6.689 12.378 -5.901 1.00 0.00 C ATOM 854 O HIS A 57 -6.614 12.602 -7.109 1.00 0.00 O ATOM 855 CB HIS A 57 -6.574 14.274 -4.270 1.00 0.00 C ATOM 856 CG HIS A 57 -6.497 15.618 -4.926 1.00 0.00 C ATOM 857 ND1 HIS A 57 -6.169 15.751 -6.254 1.00 0.00 N ATOM 858 CD2 HIS A 57 -6.708 16.848 -4.396 1.00 0.00 C ATOM 859 CE1 HIS A 57 -6.189 17.048 -6.504 1.00 0.00 C ATOM 860 NE2 HIS A 57 -6.511 17.751 -5.409 1.00 0.00 N ATOM 0 H HIS A 57 -8.043 12.715 -3.043 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.209 13.853 -5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.917 14.400 -3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.573 13.845 -4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.979 17.073 -3.375 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.973 17.486 -7.467 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.594 18.765 -5.342 1.00 0.00 H new ATOM 868 N MET A 58 -6.088 11.346 -5.317 1.00 0.00 N ATOM 869 CA MET A 58 -5.298 10.382 -6.078 1.00 0.00 C ATOM 870 C MET A 58 -6.170 9.681 -7.112 1.00 0.00 C ATOM 871 O MET A 58 -5.745 9.442 -8.241 1.00 0.00 O ATOM 872 CB MET A 58 -4.668 9.357 -5.133 1.00 0.00 C ATOM 873 CG MET A 58 -3.559 9.919 -4.248 1.00 0.00 C ATOM 874 SD MET A 58 -3.433 11.724 -4.301 1.00 0.00 S ATOM 875 CE MET A 58 -2.234 11.959 -5.612 1.00 0.00 C ATOM 0 H MET A 58 -6.133 11.155 -4.316 1.00 0.00 H new ATOM 0 HA MET A 58 -4.503 10.915 -6.600 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.448 8.939 -4.497 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.264 8.535 -5.724 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.733 9.606 -3.219 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.606 9.488 -4.556 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.871 12.987 -5.593 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.397 11.276 -5.467 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.704 11.758 -6.575 1.00 0.00 H new ATOM 885 N LEU A 59 -7.402 9.382 -6.724 1.00 0.00 N ATOM 886 CA LEU A 59 -8.351 8.740 -7.621 1.00 0.00 C ATOM 887 C LEU A 59 -8.747 9.692 -8.743 1.00 0.00 C ATOM 888 O LEU A 59 -9.224 9.266 -9.796 1.00 0.00 O ATOM 889 CB LEU A 59 -9.593 8.300 -6.840 1.00 0.00 C ATOM 890 CG LEU A 59 -10.680 7.607 -7.665 1.00 0.00 C ATOM 891 CD1 LEU A 59 -11.307 6.472 -6.871 1.00 0.00 C ATOM 892 CD2 LEU A 59 -11.743 8.606 -8.094 1.00 0.00 C ATOM 0 H LEU A 59 -7.768 9.575 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.879 7.862 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.280 7.624 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.029 9.177 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.219 7.190 -8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.078 5.990 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.540 5.742 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.753 6.869 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.507 8.095 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.200 9.052 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.284 9.388 -8.700 1.00 0.00 H new ATOM 904 N GLU A 60 -8.542 10.985 -8.510 1.00 0.00 N ATOM 905 CA GLU A 60 -8.891 12.002 -9.493 1.00 0.00 C ATOM 906 C GLU A 60 -7.645 12.590 -10.156 1.00 0.00 C ATOM 907 O GLU A 60 -7.748 13.432 -11.048 1.00 0.00 O ATOM 908 CB GLU A 60 -9.714 13.113 -8.826 1.00 0.00 C ATOM 909 CG GLU A 60 -8.887 14.296 -8.344 1.00 0.00 C ATOM 910 CD GLU A 60 -9.734 15.523 -8.061 1.00 0.00 C ATOM 911 OE1 GLU A 60 -10.798 15.376 -7.422 1.00 0.00 O ATOM 912 OE2 GLU A 60 -9.334 16.629 -8.480 1.00 0.00 O ATOM 0 H GLU A 60 -8.136 11.352 -7.649 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.489 11.529 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.462 13.471 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.254 12.691 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.349 14.014 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.138 14.542 -9.097 1.00 0.00 H new ATOM 919 N SER A 61 -6.472 12.144 -9.715 1.00 0.00 N ATOM 920 CA SER A 61 -5.215 12.649 -10.253 1.00 0.00 C ATOM 921 C SER A 61 -4.364 11.519 -10.823 1.00 0.00 C ATOM 922 O SER A 61 -3.529 10.955 -10.124 1.00 0.00 O ATOM 923 CB SER A 61 -4.431 13.383 -9.162 1.00 0.00 C ATOM 924 OG SER A 61 -4.968 14.670 -8.922 1.00 0.00 O ATOM 0 H SER A 61 -6.367 11.436 -8.988 1.00 0.00 H new ATOM 0 HA SER A 61 -5.452 13.342 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.452 12.800 -8.241 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.386 13.472 -9.459 1.00 0.00 H new ATOM 0 HG SER A 61 -5.274 14.729 -7.993 1.00 0.00 H new ATOM 930 N PRO A 62 -4.552 11.181 -12.109 1.00 0.00 N ATOM 931 CA PRO A 62 -3.772 10.126 -12.758 1.00 0.00 C ATOM 932 C PRO A 62 -2.286 10.464 -12.792 1.00 0.00 C ATOM 933 O PRO A 62 -1.433 9.578 -12.739 1.00 0.00 O ATOM 934 CB PRO A 62 -4.344 10.068 -14.179 1.00 0.00 C ATOM 935 CG PRO A 62 -5.006 11.389 -14.383 1.00 0.00 C ATOM 936 CD PRO A 62 -5.513 11.808 -13.033 1.00 0.00 C ATOM 0 HA PRO A 62 -3.844 9.177 -12.227 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.557 9.903 -14.915 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.056 9.249 -14.285 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.303 12.121 -14.781 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.823 11.310 -15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.527 12.893 -12.926 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.530 11.457 -12.857 1.00 0.00 H new ATOM 944 N GLU A 63 -1.986 11.756 -12.889 1.00 0.00 N ATOM 945 CA GLU A 63 -0.607 12.226 -12.935 1.00 0.00 C ATOM 946 C GLU A 63 0.032 12.242 -11.549 1.00 0.00 C ATOM 947 O GLU A 63 1.140 11.740 -11.364 1.00 0.00 O ATOM 948 CB GLU A 63 -0.547 13.626 -13.549 1.00 0.00 C ATOM 949 CG GLU A 63 -0.847 13.653 -15.038 1.00 0.00 C ATOM 950 CD GLU A 63 0.100 14.553 -15.808 1.00 0.00 C ATOM 951 OE1 GLU A 63 0.255 15.727 -15.413 1.00 0.00 O ATOM 952 OE2 GLU A 63 0.687 14.082 -16.805 1.00 0.00 O ATOM 0 H GLU A 63 -2.684 12.498 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.044 11.530 -13.556 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.258 14.271 -13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.445 14.045 -13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.784 12.640 -15.436 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.871 13.993 -15.192 1.00 0.00 H new ATOM 959 N SER A 64 -0.654 12.850 -10.585 1.00 0.00 N ATOM 960 CA SER A 64 -0.130 12.964 -9.227 1.00 0.00 C ATOM 961 C SER A 64 -0.087 11.610 -8.532 1.00 0.00 C ATOM 962 O SER A 64 0.939 11.211 -7.980 1.00 0.00 O ATOM 963 CB SER A 64 -0.992 13.924 -8.405 1.00 0.00 C ATOM 964 OG SER A 64 -0.245 14.507 -7.352 1.00 0.00 O ATOM 0 H SER A 64 -1.573 13.271 -10.719 1.00 0.00 H new ATOM 0 HA SER A 64 0.887 13.350 -9.299 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.387 14.707 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.848 13.388 -7.994 1.00 0.00 H new ATOM 0 HG SER A 64 -0.818 15.117 -6.843 1.00 0.00 H new ATOM 970 N LEU A 65 -1.221 10.927 -8.543 1.00 0.00 N ATOM 971 CA LEU A 65 -1.356 9.637 -7.883 1.00 0.00 C ATOM 972 C LEU A 65 -0.351 8.624 -8.419 1.00 0.00 C ATOM 973 O LEU A 65 0.501 8.145 -7.673 1.00 0.00 O ATOM 974 CB LEU A 65 -2.799 9.138 -8.048 1.00 0.00 C ATOM 975 CG LEU A 65 -3.088 7.657 -7.752 1.00 0.00 C ATOM 976 CD1 LEU A 65 -3.039 6.844 -9.032 1.00 0.00 C ATOM 977 CD2 LEU A 65 -2.156 7.076 -6.699 1.00 0.00 C ATOM 0 H LEU A 65 -2.070 11.249 -9.007 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.138 9.757 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.437 9.739 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.107 9.340 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.094 7.602 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.245 5.798 -8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.787 7.219 -9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.049 6.930 -9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.406 6.029 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.125 7.152 -7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.269 7.631 -5.767 1.00 0.00 H new ATOM 989 N ARG A 66 -0.467 8.269 -9.692 1.00 0.00 N ATOM 990 CA ARG A 66 0.419 7.267 -10.270 1.00 0.00 C ATOM 991 C ARG A 66 1.882 7.597 -9.990 1.00 0.00 C ATOM 992 O ARG A 66 2.697 6.699 -9.776 1.00 0.00 O ATOM 993 CB ARG A 66 0.190 7.133 -11.774 1.00 0.00 C ATOM 994 CG ARG A 66 0.184 5.687 -12.247 1.00 0.00 C ATOM 995 CD ARG A 66 -1.124 5.336 -12.936 1.00 0.00 C ATOM 996 NE ARG A 66 -0.923 4.435 -14.068 1.00 0.00 N ATOM 997 CZ ARG A 66 -0.709 3.127 -13.943 1.00 0.00 C ATOM 998 NH1 ARG A 66 -0.670 2.569 -12.741 1.00 0.00 N ATOM 999 NH2 ARG A 66 -0.535 2.377 -15.024 1.00 0.00 N ATOM 0 H ARG A 66 -1.157 8.654 -10.337 1.00 0.00 H new ATOM 0 HA ARG A 66 0.184 6.313 -9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.760 7.599 -12.034 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.969 7.680 -12.305 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.014 5.524 -12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.339 5.023 -11.396 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.798 4.870 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.608 6.249 -13.282 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.948 4.831 -15.008 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.804 3.142 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.506 1.566 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.565 2.803 -15.950 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.371 1.375 -14.928 1.00 0.00 H new ATOM 1013 N SER A 67 2.207 8.886 -9.977 1.00 0.00 N ATOM 1014 CA SER A 67 3.568 9.325 -9.687 1.00 0.00 C ATOM 1015 C SER A 67 3.904 9.074 -8.222 1.00 0.00 C ATOM 1016 O SER A 67 5.034 8.721 -7.884 1.00 0.00 O ATOM 1017 CB SER A 67 3.736 10.809 -10.014 1.00 0.00 C ATOM 1018 OG SER A 67 4.951 11.046 -10.703 1.00 0.00 O ATOM 0 H SER A 67 1.549 9.643 -10.163 1.00 0.00 H new ATOM 0 HA SER A 67 4.253 8.751 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.897 11.147 -10.623 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.717 11.392 -9.093 1.00 0.00 H new ATOM 0 HG SER A 67 5.033 12.002 -10.902 1.00 0.00 H new ATOM 1024 N LYS A 68 2.911 9.256 -7.358 1.00 0.00 N ATOM 1025 CA LYS A 68 3.084 9.032 -5.932 1.00 0.00 C ATOM 1026 C LYS A 68 3.333 7.555 -5.655 1.00 0.00 C ATOM 1027 O LYS A 68 4.349 7.183 -5.068 1.00 0.00 O ATOM 1028 CB LYS A 68 1.846 9.506 -5.167 1.00 0.00 C ATOM 1029 CG LYS A 68 1.920 9.227 -3.677 1.00 0.00 C ATOM 1030 CD LYS A 68 0.565 8.843 -3.106 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.301 10.065 -2.841 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.495 11.221 -2.339 1.00 0.00 N ATOM 0 H LYS A 68 1.974 9.560 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 68 3.948 9.604 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.718 10.577 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.963 9.016 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.633 8.423 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.295 10.110 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.053 8.178 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.705 8.288 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.814 10.351 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.070 9.812 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.133 11.887 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.225 10.880 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.950 11.704 -3.140 1.00 0.00 H new ATOM 1046 N VAL A 69 2.404 6.718 -6.100 1.00 0.00 N ATOM 1047 CA VAL A 69 2.522 5.278 -5.924 1.00 0.00 C ATOM 1048 C VAL A 69 3.722 4.741 -6.701 1.00 0.00 C ATOM 1049 O VAL A 69 4.261 3.683 -6.379 1.00 0.00 O ATOM 1050 CB VAL A 69 1.231 4.555 -6.359 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.445 3.055 -6.461 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.104 4.862 -5.386 1.00 0.00 C ATOM 0 H VAL A 69 1.558 7.014 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 69 2.676 5.081 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 69 0.957 4.922 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.516 2.575 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.222 2.848 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.750 2.664 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.802 4.346 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.383 4.524 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.078 5.937 -5.368 1.00 0.00 H new ATOM 1062 N ASP A 70 4.168 5.499 -7.700 1.00 0.00 N ATOM 1063 CA ASP A 70 5.351 5.116 -8.461 1.00 0.00 C ATOM 1064 C ASP A 70 6.523 4.936 -7.507 1.00 0.00 C ATOM 1065 O ASP A 70 7.208 3.912 -7.522 1.00 0.00 O ATOM 1066 CB ASP A 70 5.683 6.174 -9.514 1.00 0.00 C ATOM 1067 CG ASP A 70 6.842 5.763 -10.400 1.00 0.00 C ATOM 1068 OD1 ASP A 70 6.619 4.972 -11.340 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.974 6.233 -10.155 1.00 0.00 O ATOM 0 H ASP A 70 3.733 6.372 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 70 5.154 4.177 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.804 6.356 -10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.924 7.114 -9.017 1.00 0.00 H new ATOM 1074 N GLU A 71 6.711 5.920 -6.634 1.00 0.00 N ATOM 1075 CA GLU A 71 7.745 5.842 -5.617 1.00 0.00 C ATOM 1076 C GLU A 71 7.383 4.774 -4.597 1.00 0.00 C ATOM 1077 O GLU A 71 8.252 4.183 -3.960 1.00 0.00 O ATOM 1078 CB GLU A 71 7.911 7.191 -4.915 1.00 0.00 C ATOM 1079 CG GLU A 71 9.145 7.265 -4.034 1.00 0.00 C ATOM 1080 CD GLU A 71 10.087 8.379 -4.444 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.449 8.443 -5.638 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.464 9.190 -3.570 1.00 0.00 O ATOM 0 H GLU A 71 6.160 6.778 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 71 8.688 5.581 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.962 7.979 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.028 7.387 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.839 7.415 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.674 6.313 -4.075 1.00 0.00 H new ATOM 1089 N ALA A 72 6.081 4.532 -4.457 1.00 0.00 N ATOM 1090 CA ALA A 72 5.581 3.535 -3.520 1.00 0.00 C ATOM 1091 C ALA A 72 6.114 2.147 -3.860 1.00 0.00 C ATOM 1092 O ALA A 72 6.592 1.433 -2.980 1.00 0.00 O ATOM 1093 CB ALA A 72 4.064 3.548 -3.497 1.00 0.00 C ATOM 0 H ALA A 72 5.353 5.016 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 72 5.941 3.789 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.704 2.798 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.713 4.533 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.683 3.322 -4.493 1.00 0.00 H new ATOM 1099 N VAL A 73 6.054 1.769 -5.136 1.00 0.00 N ATOM 1100 CA VAL A 73 6.594 0.480 -5.555 1.00 0.00 C ATOM 1101 C VAL A 73 8.088 0.438 -5.260 1.00 0.00 C ATOM 1102 O VAL A 73 8.651 -0.618 -4.970 1.00 0.00 O ATOM 1103 CB VAL A 73 6.355 0.191 -7.054 1.00 0.00 C ATOM 1104 CG1 VAL A 73 4.917 0.499 -7.451 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.339 0.962 -7.920 1.00 0.00 C ATOM 0 H VAL A 73 5.644 2.327 -5.885 1.00 0.00 H new ATOM 0 HA VAL A 73 6.069 -0.291 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 73 6.524 -0.873 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.779 0.286 -8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.237 -0.120 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.705 1.551 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.150 0.741 -8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.217 2.031 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.357 0.667 -7.665 1.00 0.00 H new ATOM 1115 N ALA A 74 8.711 1.614 -5.297 1.00 0.00 N ATOM 1116 CA ALA A 74 10.135 1.737 -5.021 1.00 0.00 C ATOM 1117 C ALA A 74 10.433 1.493 -3.543 1.00 0.00 C ATOM 1118 O ALA A 74 11.526 1.050 -3.188 1.00 0.00 O ATOM 1119 CB ALA A 74 10.641 3.108 -5.444 1.00 0.00 C ATOM 0 H ALA A 74 8.248 2.496 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 74 10.657 0.976 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.707 3.184 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.474 3.244 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.105 3.880 -4.892 1.00 0.00 H new ATOM 1125 N VAL A 75 9.463 1.790 -2.679 1.00 0.00 N ATOM 1126 CA VAL A 75 9.641 1.585 -1.242 1.00 0.00 C ATOM 1127 C VAL A 75 9.675 0.095 -0.913 1.00 0.00 C ATOM 1128 O VAL A 75 10.426 -0.341 -0.041 1.00 0.00 O ATOM 1129 CB VAL A 75 8.537 2.285 -0.405 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.056 3.550 -1.096 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.366 1.351 -0.125 1.00 0.00 C ATOM 0 H VAL A 75 8.554 2.170 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 75 10.595 2.038 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 75 8.979 2.559 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.283 4.023 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.892 4.238 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.647 3.297 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.614 1.877 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.927 1.025 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.719 0.482 0.431 1.00 0.00 H new ATOM 1141 N LEU A 76 8.865 -0.681 -1.628 1.00 0.00 N ATOM 1142 CA LEU A 76 8.794 -2.119 -1.419 1.00 0.00 C ATOM 1143 C LEU A 76 10.055 -2.811 -1.925 1.00 0.00 C ATOM 1144 O LEU A 76 10.682 -3.582 -1.200 1.00 0.00 O ATOM 1145 CB LEU A 76 7.571 -2.694 -2.129 1.00 0.00 C ATOM 1146 CG LEU A 76 7.616 -4.201 -2.366 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.489 -4.885 -1.614 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.542 -4.508 -3.853 1.00 0.00 C ATOM 0 H LEU A 76 8.246 -0.333 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 76 8.709 -2.299 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.684 -2.460 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.458 -2.193 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 76 8.563 -4.587 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.533 -5.960 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.592 -4.689 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.532 -4.498 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.575 -5.587 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.611 -4.113 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.386 -4.044 -4.363 1.00 0.00 H new ATOM 1160 N GLN A 77 10.394 -2.563 -3.186 1.00 0.00 N ATOM 1161 CA GLN A 77 11.578 -3.164 -3.790 1.00 0.00 C ATOM 1162 C GLN A 77 12.800 -2.907 -2.923 1.00 0.00 C ATOM 1163 O GLN A 77 13.651 -3.778 -2.744 1.00 0.00 O ATOM 1164 CB GLN A 77 11.795 -2.611 -5.198 1.00 0.00 C ATOM 1165 CG GLN A 77 11.959 -1.102 -5.254 1.00 0.00 C ATOM 1166 CD GLN A 77 13.413 -0.672 -5.268 1.00 0.00 C ATOM 1167 OE1 GLN A 77 13.816 0.223 -4.524 1.00 0.00 O ATOM 1168 NE2 GLN A 77 14.209 -1.306 -6.121 1.00 0.00 N ATOM 0 H GLN A 77 9.867 -1.951 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 77 11.425 -4.241 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.681 -3.078 -5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.949 -2.897 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.463 -0.719 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.460 -0.654 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.833 -2.042 -6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.197 -1.057 -6.178 1.00 0.00 H new ATOM 1177 N ALA A 78 12.850 -1.712 -2.351 1.00 0.00 N ATOM 1178 CA ALA A 78 13.943 -1.329 -1.465 1.00 0.00 C ATOM 1179 C ALA A 78 13.733 -1.904 -0.067 1.00 0.00 C ATOM 1180 O ALA A 78 14.683 -2.055 0.703 1.00 0.00 O ATOM 1181 CB ALA A 78 14.066 0.185 -1.403 1.00 0.00 C ATOM 0 H ALA A 78 12.144 -0.988 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 78 14.870 -1.739 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.886 0.457 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.264 0.575 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.136 0.610 -1.025 1.00 0.00 H new ATOM 1187 N HIS A 79 12.481 -2.228 0.253 1.00 0.00 N ATOM 1188 CA HIS A 79 12.140 -2.787 1.559 1.00 0.00 C ATOM 1189 C HIS A 79 12.662 -4.213 1.700 1.00 0.00 C ATOM 1190 O HIS A 79 13.388 -4.527 2.643 1.00 0.00 O ATOM 1191 CB HIS A 79 10.621 -2.766 1.768 1.00 0.00 C ATOM 1192 CG HIS A 79 10.206 -3.068 3.175 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.811 -2.458 4.249 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.248 -3.914 3.628 1.00 0.00 C ATOM 1195 CE1 HIS A 79 10.213 -2.942 5.324 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.262 -3.827 4.996 1.00 0.00 N ATOM 0 H HIS A 79 11.686 -2.113 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 79 12.615 -2.170 2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.237 -1.785 1.487 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.160 -3.492 1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.600 -4.535 3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.459 -2.660 6.337 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.662 -4.339 5.642 1.00 0.00 H new ATOM 1204 N GLN A 80 12.287 -5.073 0.757 1.00 0.00 N ATOM 1205 CA GLN A 80 12.704 -6.471 0.782 1.00 0.00 C ATOM 1206 C GLN A 80 14.204 -6.609 0.544 1.00 0.00 C ATOM 1207 O GLN A 80 14.755 -7.708 0.622 1.00 0.00 O ATOM 1208 CB GLN A 80 11.936 -7.270 -0.275 1.00 0.00 C ATOM 1209 CG GLN A 80 10.441 -6.990 -0.280 1.00 0.00 C ATOM 1210 CD GLN A 80 9.689 -7.860 -1.269 1.00 0.00 C ATOM 1211 OE1 GLN A 80 8.943 -8.759 -0.881 1.00 0.00 O ATOM 1212 NE2 GLN A 80 9.881 -7.593 -2.556 1.00 0.00 N ATOM 0 H GLN A 80 11.694 -4.825 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 80 12.479 -6.868 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.344 -7.041 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.098 -8.334 -0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.041 -7.154 0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.272 -5.941 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.509 -6.838 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.401 -8.143 -3.268 1.00 0.00 H new ATOM 1221 N ALA A 81 14.862 -5.490 0.253 1.00 0.00 N ATOM 1222 CA ALA A 81 16.298 -5.491 0.002 1.00 0.00 C ATOM 1223 C ALA A 81 17.085 -5.729 1.289 1.00 0.00 C ATOM 1224 O ALA A 81 17.755 -6.750 1.437 1.00 0.00 O ATOM 1225 CB ALA A 81 16.722 -4.181 -0.643 1.00 0.00 C ATOM 0 H ALA A 81 14.423 -4.572 0.185 1.00 0.00 H new ATOM 0 HA ALA A 81 16.519 -6.310 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.797 -4.196 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.196 -4.054 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.478 -3.352 0.022 1.00 0.00 H new ATOM 1231 N LYS A 82 17.002 -4.777 2.213 1.00 0.00 N ATOM 1232 CA LYS A 82 17.712 -4.879 3.483 1.00 0.00 C ATOM 1233 C LYS A 82 16.967 -5.778 4.466 1.00 0.00 C ATOM 1234 O LYS A 82 17.451 -6.041 5.567 1.00 0.00 O ATOM 1235 CB LYS A 82 17.902 -3.489 4.096 1.00 0.00 C ATOM 1236 CG LYS A 82 16.602 -2.726 4.289 1.00 0.00 C ATOM 1237 CD LYS A 82 16.834 -1.225 4.304 1.00 0.00 C ATOM 1238 CE LYS A 82 16.723 -0.630 2.910 1.00 0.00 C ATOM 1239 NZ LYS A 82 17.956 0.108 2.523 1.00 0.00 N ATOM 0 H LYS A 82 16.450 -3.926 2.106 1.00 0.00 H new ATOM 0 HA LYS A 82 18.687 -5.324 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.400 -3.591 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.564 -2.906 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.908 -2.980 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.135 -3.032 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.107 -0.750 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.821 -1.013 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.535 -1.426 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.868 0.045 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.841 0.499 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.122 0.883 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.768 -0.542 2.536 1.00 0.00 H new ATOM 1253 N GLU A 83 15.787 -6.243 4.067 1.00 0.00 N ATOM 1254 CA GLU A 83 14.979 -7.107 4.921 1.00 0.00 C ATOM 1255 C GLU A 83 15.401 -8.565 4.783 1.00 0.00 C ATOM 1256 O GLU A 83 15.601 -9.260 5.780 1.00 0.00 O ATOM 1257 CB GLU A 83 13.497 -6.959 4.575 1.00 0.00 C ATOM 1258 CG GLU A 83 12.587 -6.934 5.794 1.00 0.00 C ATOM 1259 CD GLU A 83 11.672 -8.141 5.862 1.00 0.00 C ATOM 1260 OE1 GLU A 83 11.144 -8.546 4.805 1.00 0.00 O ATOM 1261 OE2 GLU A 83 11.484 -8.681 6.973 1.00 0.00 O ATOM 0 H GLU A 83 15.370 -6.036 3.159 1.00 0.00 H new ATOM 0 HA GLU A 83 15.138 -6.800 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.355 -6.040 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.200 -7.783 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.196 -6.893 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.984 -6.026 5.775 1.00 0.00 H new ATOM 1268 N ALA A 84 15.534 -9.025 3.543 1.00 0.00 N ATOM 1269 CA ALA A 84 15.932 -10.402 3.276 1.00 0.00 C ATOM 1270 C ALA A 84 17.408 -10.621 3.594 1.00 0.00 C ATOM 1271 O ALA A 84 17.918 -11.736 3.483 1.00 0.00 O ATOM 1272 CB ALA A 84 15.643 -10.764 1.827 1.00 0.00 C ATOM 0 H ALA A 84 15.372 -8.464 2.707 1.00 0.00 H new ATOM 0 HA ALA A 84 15.348 -11.054 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.945 -11.795 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.576 -10.658 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 84 16.200 -10.099 1.168 1.00 0.00 H new ATOM 1278 N ALA A 85 18.087 -9.550 3.992 1.00 0.00 N ATOM 1279 CA ALA A 85 19.504 -9.623 4.328 1.00 0.00 C ATOM 1280 C ALA A 85 19.732 -10.518 5.542 1.00 0.00 C ATOM 1281 O ALA A 85 20.637 -11.352 5.549 1.00 0.00 O ATOM 1282 CB ALA A 85 20.058 -8.230 4.583 1.00 0.00 C ATOM 0 H ALA A 85 17.678 -8.621 4.090 1.00 0.00 H new ATOM 0 HA ALA A 85 20.033 -10.061 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.117 -8.300 4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.936 -7.620 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.519 -7.770 5.412 1.00 0.00 H new ATOM 1288 N GLN A 86 18.905 -10.337 6.568 1.00 0.00 N ATOM 1289 CA GLN A 86 19.012 -11.131 7.787 1.00 0.00 C ATOM 1290 C GLN A 86 18.177 -12.402 7.682 1.00 0.00 C ATOM 1291 O GLN A 86 16.952 -12.363 7.805 1.00 0.00 O ATOM 1292 CB GLN A 86 18.564 -10.312 9.000 1.00 0.00 C ATOM 1293 CG GLN A 86 17.354 -9.432 8.731 1.00 0.00 C ATOM 1294 CD GLN A 86 17.062 -8.475 9.871 1.00 0.00 C ATOM 1295 OE1 GLN A 86 17.867 -8.322 10.791 1.00 0.00 O ATOM 1296 NE2 GLN A 86 15.906 -7.825 9.816 1.00 0.00 N ATOM 0 H GLN A 86 18.154 -9.647 6.579 1.00 0.00 H new ATOM 0 HA GLN A 86 20.057 -11.412 7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.333 -10.991 9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.392 -9.685 9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 86 17.520 -8.862 7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 86 16.482 -10.063 8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 86 15.269 -7.982 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 86 15.655 -7.168 10.555 1.00 0.00 H new ATOM 1305 N LYS A 87 18.846 -13.526 7.451 1.00 0.00 N ATOM 1306 CA LYS A 87 18.166 -14.809 7.325 1.00 0.00 C ATOM 1307 C LYS A 87 18.135 -15.542 8.663 1.00 0.00 C ATOM 1308 O LYS A 87 18.056 -16.770 8.708 1.00 0.00 O ATOM 1309 CB LYS A 87 18.860 -15.675 6.272 1.00 0.00 C ATOM 1310 CG LYS A 87 18.975 -15.005 4.913 1.00 0.00 C ATOM 1311 CD LYS A 87 19.357 -16.001 3.831 1.00 0.00 C ATOM 1312 CE LYS A 87 20.794 -15.805 3.375 1.00 0.00 C ATOM 1313 NZ LYS A 87 20.919 -14.694 2.391 1.00 0.00 N ATOM 0 H LYS A 87 19.860 -13.574 7.347 1.00 0.00 H new ATOM 0 HA LYS A 87 17.139 -14.619 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 87 19.858 -15.933 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.309 -16.609 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.026 -14.534 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 87 19.722 -14.212 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.229 -17.016 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.686 -15.890 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 87 21.424 -15.596 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 87 21.162 -16.729 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.914 -14.593 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.338 -14.904 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.592 -13.807 2.825 1.00 0.00 H new ATOM 1327 N ALA A 88 18.197 -14.780 9.751 1.00 0.00 N ATOM 1328 CA ALA A 88 18.178 -15.354 11.090 1.00 0.00 C ATOM 1329 C ALA A 88 16.749 -15.538 11.590 1.00 0.00 C ATOM 1330 O ALA A 88 16.320 -14.875 12.535 1.00 0.00 O ATOM 1331 CB ALA A 88 18.971 -14.479 12.050 1.00 0.00 C ATOM 0 H ALA A 88 18.261 -13.762 9.730 1.00 0.00 H new ATOM 0 HA ALA A 88 18.645 -16.338 11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 88 18.949 -14.919 13.047 1.00 0.00 H new ATOM 0 HB2 ALA A 88 20.004 -14.407 11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 88 18.530 -13.483 12.084 1.00 0.00 H new ATOM 1337 N VAL A 89 16.015 -16.444 10.950 1.00 0.00 N ATOM 1338 CA VAL A 89 14.635 -16.718 11.333 1.00 0.00 C ATOM 1339 C VAL A 89 14.542 -18.005 12.155 1.00 0.00 C ATOM 1340 O VAL A 89 14.291 -19.087 11.621 1.00 0.00 O ATOM 1341 CB VAL A 89 13.713 -16.810 10.096 1.00 0.00 C ATOM 1342 CG1 VAL A 89 14.288 -17.766 9.061 1.00 0.00 C ATOM 1343 CG2 VAL A 89 12.305 -17.225 10.500 1.00 0.00 C ATOM 0 H VAL A 89 16.353 -17.000 10.165 1.00 0.00 H new ATOM 0 HA VAL A 89 14.297 -15.884 11.948 1.00 0.00 H new ATOM 0 HB VAL A 89 13.655 -15.821 9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.621 -17.814 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 89 15.268 -17.411 8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.387 -18.759 9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.674 -17.283 9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.338 -18.200 10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.893 -16.489 11.191 1.00 0.00 H new ATOM 1353 N ASN A 90 14.767 -17.881 13.459 1.00 0.00 N ATOM 1354 CA ASN A 90 14.712 -19.027 14.358 1.00 0.00 C ATOM 1355 C ASN A 90 13.429 -19.012 15.182 1.00 0.00 C ATOM 1356 O ASN A 90 13.294 -19.756 16.154 1.00 0.00 O ATOM 1357 CB ASN A 90 15.927 -19.032 15.289 1.00 0.00 C ATOM 1358 CG ASN A 90 17.023 -18.095 14.818 1.00 0.00 C ATOM 1359 OD1 ASN A 90 17.842 -18.454 13.971 1.00 0.00 O ATOM 1360 ND2 ASN A 90 17.042 -16.885 15.365 1.00 0.00 N ATOM 0 H ASN A 90 14.989 -16.997 13.917 1.00 0.00 H new ATOM 0 HA ASN A 90 14.723 -19.932 13.751 1.00 0.00 H new ATOM 0 HB2 ASN A 90 15.613 -18.744 16.292 1.00 0.00 H new ATOM 0 HB3 ASN A 90 16.324 -20.045 15.358 1.00 0.00 H new ATOM 0 HD21 ASN A 90 17.755 -16.211 15.087 1.00 0.00 H new ATOM 0 HD22 ASN A 90 16.344 -16.630 16.063 1.00 0.00 H new ATOM 1367 N SER A 91 12.489 -18.158 14.789 1.00 0.00 N ATOM 1368 CA SER A 91 11.218 -18.041 15.495 1.00 0.00 C ATOM 1369 C SER A 91 10.188 -19.015 14.933 1.00 0.00 C ATOM 1370 O SER A 91 9.048 -19.064 15.397 1.00 0.00 O ATOM 1371 CB SER A 91 10.689 -16.608 15.397 1.00 0.00 C ATOM 1372 OG SER A 91 10.578 -16.015 16.679 1.00 0.00 O ATOM 0 H SER A 91 12.584 -17.537 13.985 1.00 0.00 H new ATOM 0 HA SER A 91 11.389 -18.289 16.542 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.357 -16.013 14.774 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.715 -16.610 14.908 1.00 0.00 H new ATOM 0 HG SER A 91 10.240 -15.100 16.588 1.00 0.00 H new ATOM 1378 N ALA A 92 10.597 -19.792 13.935 1.00 0.00 N ATOM 1379 CA ALA A 92 9.710 -20.767 13.310 1.00 0.00 C ATOM 1380 C ALA A 92 9.536 -21.998 14.196 1.00 0.00 C ATOM 1381 O ALA A 92 9.919 -21.991 15.366 1.00 0.00 O ATOM 1382 CB ALA A 92 10.243 -21.165 11.942 1.00 0.00 C ATOM 0 H ALA A 92 11.538 -19.765 13.542 1.00 0.00 H new ATOM 0 HA ALA A 92 8.731 -20.304 13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.571 -21.893 11.487 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.306 -20.283 11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.234 -21.605 12.052 1.00 0.00 H new ATOM 1388 N THR A 93 8.956 -23.054 13.630 1.00 0.00 N ATOM 1389 CA THR A 93 8.733 -24.291 14.369 1.00 0.00 C ATOM 1390 C THR A 93 9.579 -25.427 13.802 1.00 0.00 C ATOM 1391 O THR A 93 10.496 -25.196 13.014 1.00 0.00 O ATOM 1392 CB THR A 93 7.252 -24.674 14.327 1.00 0.00 C ATOM 1393 OG1 THR A 93 6.686 -24.349 13.069 1.00 0.00 O ATOM 1394 CG2 THR A 93 6.426 -23.990 15.394 1.00 0.00 C ATOM 0 H THR A 93 8.633 -23.076 12.663 1.00 0.00 H new ATOM 0 HA THR A 93 9.030 -24.124 15.404 1.00 0.00 H new ATOM 0 HB THR A 93 7.226 -25.749 14.506 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.739 -24.603 13.061 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.386 -24.306 15.307 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.807 -24.261 16.379 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.489 -22.909 15.266 1.00 0.00 H new ATOM 1402 N GLY A 94 9.264 -26.654 14.209 1.00 0.00 N ATOM 1403 CA GLY A 94 10.007 -27.808 13.737 1.00 0.00 C ATOM 1404 C GLY A 94 9.623 -28.212 12.328 1.00 0.00 C ATOM 1405 O GLY A 94 10.078 -27.608 11.357 1.00 0.00 O ATOM 0 H GLY A 94 8.507 -26.869 14.858 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.074 -27.587 13.770 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.835 -28.647 14.411 1.00 0.00 H new ATOM 1409 N VAL A 95 8.787 -29.241 12.216 1.00 0.00 N ATOM 1410 CA VAL A 95 8.346 -29.733 10.915 1.00 0.00 C ATOM 1411 C VAL A 95 7.164 -28.920 10.389 1.00 0.00 C ATOM 1412 O VAL A 95 6.056 -29.011 10.918 1.00 0.00 O ATOM 1413 CB VAL A 95 7.943 -31.218 10.982 1.00 0.00 C ATOM 1414 CG1 VAL A 95 7.906 -31.825 9.589 1.00 0.00 C ATOM 1415 CG2 VAL A 95 8.894 -31.993 11.884 1.00 0.00 C ATOM 0 H VAL A 95 8.402 -29.750 13.011 1.00 0.00 H new ATOM 0 HA VAL A 95 9.190 -29.624 10.234 1.00 0.00 H new ATOM 0 HB VAL A 95 6.942 -31.283 11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.619 -32.874 9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.180 -31.289 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.892 -31.747 9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.592 -33.040 11.918 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.908 -31.921 11.491 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.864 -31.574 12.890 1.00 0.00 H new ATOM 1425 N PRO A 96 7.381 -28.118 9.330 1.00 0.00 N ATOM 1426 CA PRO A 96 6.334 -27.284 8.736 1.00 0.00 C ATOM 1427 C PRO A 96 5.358 -28.098 7.890 1.00 0.00 C ATOM 1428 O PRO A 96 5.386 -28.037 6.661 1.00 0.00 O ATOM 1429 CB PRO A 96 7.106 -26.290 7.851 1.00 0.00 C ATOM 1430 CG PRO A 96 8.556 -26.530 8.130 1.00 0.00 C ATOM 1431 CD PRO A 96 8.661 -27.937 8.637 1.00 0.00 C ATOM 0 HA PRO A 96 5.724 -26.802 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.880 -26.449 6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.828 -25.262 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.153 -26.397 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.932 -25.822 8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.788 -28.653 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 96 9.509 -28.064 9.310 1.00 0.00 H new ATOM 1439 N THR A 97 4.495 -28.859 8.556 1.00 0.00 N ATOM 1440 CA THR A 97 3.509 -29.680 7.865 1.00 0.00 C ATOM 1441 C THR A 97 2.128 -29.036 7.926 1.00 0.00 C ATOM 1442 O THR A 97 1.399 -29.197 8.905 1.00 0.00 O ATOM 1443 CB THR A 97 3.459 -31.080 8.479 1.00 0.00 C ATOM 1444 OG1 THR A 97 3.725 -31.027 9.870 1.00 0.00 O ATOM 1445 CG2 THR A 97 4.447 -32.043 7.858 1.00 0.00 C ATOM 0 H THR A 97 4.459 -28.924 9.573 1.00 0.00 H new ATOM 0 HA THR A 97 3.808 -29.760 6.820 1.00 0.00 H new ATOM 0 HB THR A 97 2.451 -31.445 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.687 -31.932 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.358 -33.017 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.236 -32.145 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.460 -31.663 7.992 1.00 0.00 H new ATOM 1453 N VAL A 98 1.777 -28.299 6.876 1.00 0.00 N ATOM 1454 CA VAL A 98 0.487 -27.623 6.812 1.00 0.00 C ATOM 1455 C VAL A 98 -0.235 -27.934 5.505 1.00 0.00 C ATOM 1456 O VAL A 98 0.452 -28.295 4.526 1.00 0.00 O ATOM 1457 CB VAL A 98 0.644 -26.096 6.946 1.00 0.00 C ATOM 1458 CG1 VAL A 98 0.792 -25.701 8.407 1.00 0.00 C ATOM 1459 CG2 VAL A 98 1.830 -25.606 6.130 1.00 0.00 C ATOM 1460 OXT VAL A 98 -1.483 -27.972 5.519 1.00 0.00 O ATOM 0 H VAL A 98 2.369 -28.155 6.058 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.104 -27.996 7.648 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.256 -25.621 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.902 -24.619 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.093 -26.015 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.674 -26.185 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.924 -24.525 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.741 -26.087 6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.676 -25.854 5.080 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 18.647 2.821 9.254 1.00 0.00 N ATOM 1472 CA VAL B 1 18.114 2.916 7.869 1.00 0.00 C ATOM 1473 C VAL B 1 16.968 3.919 7.795 1.00 0.00 C ATOM 1474 O VAL B 1 16.433 4.342 8.821 1.00 0.00 O ATOM 1475 CB VAL B 1 17.619 1.548 7.363 1.00 0.00 C ATOM 1476 CG1 VAL B 1 18.778 0.571 7.247 1.00 0.00 C ATOM 1477 CG2 VAL B 1 16.538 0.998 8.281 1.00 0.00 C ATOM 0 H1 VAL B 1 19.380 2.084 9.294 1.00 0.00 H new ATOM 0 H2 VAL B 1 19.059 3.735 9.531 1.00 0.00 H new ATOM 0 H3 VAL B 1 17.875 2.578 9.907 1.00 0.00 H new ATOM 0 HA VAL B 1 18.933 3.253 7.234 1.00 0.00 H new ATOM 0 HB VAL B 1 17.187 1.682 6.371 1.00 0.00 H new ATOM 0 HG11 VAL B 1 18.409 -0.390 6.888 1.00 0.00 H new ATOM 0 HG12 VAL B 1 19.515 0.962 6.545 1.00 0.00 H new ATOM 0 HG13 VAL B 1 19.242 0.439 8.224 1.00 0.00 H new ATOM 0 HG21 VAL B 1 16.201 0.031 7.907 1.00 0.00 H new ATOM 0 HG22 VAL B 1 16.941 0.878 9.287 1.00 0.00 H new ATOM 0 HG23 VAL B 1 15.696 1.690 8.308 1.00 0.00 H new ATOM 1489 N VAL B 2 16.591 4.293 6.576 1.00 0.00 N ATOM 1490 CA VAL B 2 15.504 5.244 6.374 1.00 0.00 C ATOM 1491 C VAL B 2 14.188 4.528 6.108 1.00 0.00 C ATOM 1492 O VAL B 2 14.166 3.426 5.560 1.00 0.00 O ATOM 1493 CB VAL B 2 15.793 6.200 5.199 1.00 0.00 C ATOM 1494 CG1 VAL B 2 15.820 5.439 3.882 1.00 0.00 C ATOM 1495 CG2 VAL B 2 14.759 7.316 5.152 1.00 0.00 C ATOM 0 H VAL B 2 17.021 3.953 5.716 1.00 0.00 H new ATOM 0 HA VAL B 2 15.426 5.823 7.294 1.00 0.00 H new ATOM 0 HB VAL B 2 16.775 6.647 5.355 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.025 6.132 3.066 1.00 0.00 H new ATOM 0 HG12 VAL B 2 16.600 4.678 3.917 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.854 4.961 3.718 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.979 7.981 4.317 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.766 6.886 5.022 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.791 7.881 6.084 1.00 0.00 H new ATOM 1505 N LYS B 3 13.090 5.173 6.482 1.00 0.00 N ATOM 1506 CA LYS B 3 11.766 4.621 6.248 1.00 0.00 C ATOM 1507 C LYS B 3 11.371 4.811 4.786 1.00 0.00 C ATOM 1508 O LYS B 3 12.213 4.722 3.892 1.00 0.00 O ATOM 1509 CB LYS B 3 10.744 5.289 7.172 1.00 0.00 C ATOM 1510 CG LYS B 3 10.927 4.932 8.638 1.00 0.00 C ATOM 1511 CD LYS B 3 9.777 5.448 9.486 1.00 0.00 C ATOM 1512 CE LYS B 3 9.955 5.087 10.951 1.00 0.00 C ATOM 1513 NZ LYS B 3 9.032 3.996 11.371 1.00 0.00 N ATOM 0 H LYS B 3 13.093 6.080 6.949 1.00 0.00 H new ATOM 0 HA LYS B 3 11.783 3.553 6.468 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.816 6.371 7.058 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.740 5.001 6.859 1.00 0.00 H new ATOM 0 HG2 LYS B 3 11.001 3.850 8.743 1.00 0.00 H new ATOM 0 HG3 LYS B 3 11.865 5.352 9.001 1.00 0.00 H new ATOM 0 HD2 LYS B 3 9.706 6.531 9.384 1.00 0.00 H new ATOM 0 HD3 LYS B 3 8.839 5.031 9.120 1.00 0.00 H new ATOM 0 HE2 LYS B 3 10.986 4.778 11.126 1.00 0.00 H new ATOM 0 HE3 LYS B 3 9.778 5.969 11.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.185 3.780 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.048 4.300 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.218 3.146 10.802 1.00 0.00 H new ATOM 1527 N SER B 4 10.096 5.087 4.548 1.00 0.00 N ATOM 1528 CA SER B 4 9.599 5.290 3.193 1.00 0.00 C ATOM 1529 C SER B 4 9.921 6.693 2.692 1.00 0.00 C ATOM 1530 O SER B 4 10.571 7.477 3.385 1.00 0.00 O ATOM 1531 CB SER B 4 8.091 5.055 3.156 1.00 0.00 C ATOM 1532 OG SER B 4 7.638 4.835 1.832 1.00 0.00 O ATOM 0 H SER B 4 9.386 5.176 5.275 1.00 0.00 H new ATOM 0 HA SER B 4 10.095 4.576 2.536 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.839 4.195 3.777 1.00 0.00 H new ATOM 0 HB3 SER B 4 7.576 5.916 3.581 1.00 0.00 H new ATOM 0 HG SER B 4 6.707 4.530 1.851 1.00 0.00 H new ATOM 1538 N ASN B 5 9.459 7.005 1.485 1.00 0.00 N ATOM 1539 CA ASN B 5 9.691 8.317 0.891 1.00 0.00 C ATOM 1540 C ASN B 5 8.431 9.171 0.962 1.00 0.00 C ATOM 1541 O ASN B 5 8.471 10.319 1.405 1.00 0.00 O ATOM 1542 CB ASN B 5 10.143 8.170 -0.563 1.00 0.00 C ATOM 1543 CG ASN B 5 11.610 7.802 -0.679 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.414 8.126 0.194 1.00 0.00 O ATOM 1545 ND2 ASN B 5 11.964 7.121 -1.762 1.00 0.00 N ATOM 0 H ASN B 5 8.921 6.366 0.899 1.00 0.00 H new ATOM 0 HA ASN B 5 10.479 8.813 1.458 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.540 7.405 -1.052 1.00 0.00 H new ATOM 0 HB3 ASN B 5 9.963 9.105 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN B 5 12.937 6.845 -1.896 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.263 6.874 -2.461 1.00 0.00 H new ATOM 1552 N LEU B 6 7.310 8.600 0.532 1.00 0.00 N ATOM 1553 CA LEU B 6 6.033 9.303 0.564 1.00 0.00 C ATOM 1554 C LEU B 6 5.595 9.548 2.005 1.00 0.00 C ATOM 1555 O LEU B 6 5.599 10.684 2.480 1.00 0.00 O ATOM 1556 CB LEU B 6 4.965 8.503 -0.186 1.00 0.00 C ATOM 1557 CG LEU B 6 5.373 8.029 -1.583 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.573 6.797 -1.979 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.186 9.141 -2.602 1.00 0.00 C ATOM 0 H LEU B 6 7.261 7.653 0.157 1.00 0.00 H new ATOM 0 HA LEU B 6 6.157 10.267 0.070 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.698 7.632 0.413 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.068 9.117 -0.274 1.00 0.00 H new ATOM 0 HG LEU B 6 6.430 7.762 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.874 6.472 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.760 5.996 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.510 7.039 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.482 8.784 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.139 9.442 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.804 9.996 -2.325 1.00 0.00 H new ATOM 1571 N ASN B 7 5.241 8.472 2.702 1.00 0.00 N ATOM 1572 CA ASN B 7 4.821 8.567 4.095 1.00 0.00 C ATOM 1573 C ASN B 7 5.994 8.315 5.037 1.00 0.00 C ATOM 1574 O ASN B 7 6.688 7.304 4.915 1.00 0.00 O ATOM 1575 CB ASN B 7 3.714 7.557 4.391 1.00 0.00 C ATOM 1576 CG ASN B 7 2.641 8.123 5.300 1.00 0.00 C ATOM 1577 OD1 ASN B 7 2.859 8.022 6.606 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.627 8.646 4.834 1.00 0.00 N flip ATOM 0 H ASN B 7 5.237 7.525 2.324 1.00 0.00 H new ATOM 0 HA ASN B 7 4.445 9.577 4.258 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.260 7.236 3.454 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.149 6.671 4.855 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.501 8.702 3.823 1.00 0.00 H new ATOM 0 HD22 ASN B 7 0.914 9.023 5.459 1.00 0.00 H new ATOM 1585 N PRO B 8 6.215 9.210 6.014 1.00 0.00 N ATOM 1586 CA PRO B 8 7.308 9.072 6.975 1.00 0.00 C ATOM 1587 C PRO B 8 7.010 8.028 8.046 1.00 0.00 C ATOM 1588 O PRO B 8 7.853 7.737 8.894 1.00 0.00 O ATOM 1589 CB PRO B 8 7.424 10.469 7.611 1.00 0.00 C ATOM 1590 CG PRO B 8 6.490 11.349 6.841 1.00 0.00 C ATOM 1591 CD PRO B 8 5.456 10.443 6.243 1.00 0.00 C ATOM 0 HA PRO B 8 8.225 8.737 6.491 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.154 10.441 8.667 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.447 10.841 7.554 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.028 12.090 7.493 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.023 11.897 6.064 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.616 10.284 6.919 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.048 10.847 5.317 1.00 0.00 H new ATOM 1599 N ASN B 9 5.797 7.484 8.013 1.00 0.00 N ATOM 1600 CA ASN B 9 5.385 6.474 8.984 1.00 0.00 C ATOM 1601 C ASN B 9 4.926 5.198 8.284 1.00 0.00 C ATOM 1602 O ASN B 9 3.866 4.658 8.593 1.00 0.00 O ATOM 1603 CB ASN B 9 4.262 7.020 9.868 1.00 0.00 C ATOM 1604 CG ASN B 9 4.661 8.288 10.596 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.829 8.483 10.934 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.690 9.161 10.841 1.00 0.00 N ATOM 0 H ASN B 9 5.083 7.725 7.326 1.00 0.00 H new ATOM 0 HA ASN B 9 6.245 6.231 9.608 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.384 7.219 9.253 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.976 6.261 10.596 1.00 0.00 H new ATOM 0 HD21 ASN B 9 3.899 10.033 11.327 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.736 8.959 10.543 1.00 0.00 H new ATOM 1613 N ALA B 10 5.735 4.723 7.343 1.00 0.00 N ATOM 1614 CA ALA B 10 5.411 3.518 6.587 1.00 0.00 C ATOM 1615 C ALA B 10 5.148 2.329 7.509 1.00 0.00 C ATOM 1616 O ALA B 10 6.079 1.652 7.944 1.00 0.00 O ATOM 1617 CB ALA B 10 6.533 3.192 5.614 1.00 0.00 C ATOM 0 H ALA B 10 6.622 5.155 7.085 1.00 0.00 H new ATOM 0 HA ALA B 10 4.496 3.712 6.027 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.280 2.291 5.056 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.667 4.023 4.921 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.458 3.028 6.167 1.00 0.00 H new ATOM 1623 N LYS B 11 3.873 2.069 7.784 1.00 0.00 N ATOM 1624 CA LYS B 11 3.482 0.952 8.631 1.00 0.00 C ATOM 1625 C LYS B 11 2.531 0.027 7.872 1.00 0.00 C ATOM 1626 O LYS B 11 1.603 0.491 7.215 1.00 0.00 O ATOM 1627 CB LYS B 11 2.847 1.475 9.926 1.00 0.00 C ATOM 1628 CG LYS B 11 1.496 0.866 10.258 1.00 0.00 C ATOM 1629 CD LYS B 11 1.596 -0.114 11.417 1.00 0.00 C ATOM 1630 CE LYS B 11 1.402 0.580 12.756 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.266 1.786 12.890 1.00 0.00 N ATOM 0 H LYS B 11 3.092 2.621 7.430 1.00 0.00 H new ATOM 0 HA LYS B 11 4.365 0.373 8.901 1.00 0.00 H new ATOM 0 HB2 LYS B 11 3.530 1.284 10.753 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.734 2.556 9.849 1.00 0.00 H new ATOM 0 HG2 LYS B 11 0.791 1.658 10.510 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.101 0.354 9.380 1.00 0.00 H new ATOM 0 HD2 LYS B 11 0.845 -0.895 11.299 1.00 0.00 H new ATOM 0 HD3 LYS B 11 2.570 -0.603 11.398 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.357 0.869 12.867 1.00 0.00 H new ATOM 0 HE3 LYS B 11 1.627 -0.118 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.153 2.190 13.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.260 1.519 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.989 2.493 12.179 1.00 0.00 H new ATOM 1645 N GLU B 12 2.784 -1.277 7.956 1.00 0.00 N ATOM 1646 CA GLU B 12 1.989 -2.279 7.243 1.00 0.00 C ATOM 1647 C GLU B 12 0.483 -2.085 7.440 1.00 0.00 C ATOM 1648 O GLU B 12 0.046 -1.279 8.262 1.00 0.00 O ATOM 1649 CB GLU B 12 2.387 -3.682 7.709 1.00 0.00 C ATOM 1650 CG GLU B 12 2.198 -4.756 6.650 1.00 0.00 C ATOM 1651 CD GLU B 12 3.064 -5.978 6.895 1.00 0.00 C ATOM 1652 OE1 GLU B 12 4.092 -5.849 7.593 1.00 0.00 O ATOM 1653 OE2 GLU B 12 2.712 -7.064 6.388 1.00 0.00 O ATOM 0 H GLU B 12 3.541 -1.669 8.516 1.00 0.00 H new ATOM 0 HA GLU B 12 2.198 -2.157 6.180 1.00 0.00 H new ATOM 0 HB2 GLU B 12 3.432 -3.669 8.018 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.798 -3.944 8.588 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.151 -5.057 6.626 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.433 -4.340 5.670 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.301 -2.876 6.706 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.758 -2.828 6.795 1.00 0.00 C ATOM 1662 C PHE B 13 -2.234 -3.744 7.911 1.00 0.00 C ATOM 1663 O PHE B 13 -2.698 -4.858 7.669 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.380 -3.267 5.466 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.654 -2.549 5.093 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.379 -1.835 6.037 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.140 -2.613 3.792 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.550 -1.191 5.690 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.313 -1.972 3.443 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.013 -1.254 4.390 1.00 0.00 C ATOM 0 H PHE B 13 0.054 -3.562 6.039 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.067 -1.805 7.011 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.649 -3.116 4.672 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.583 -4.337 5.512 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.023 -1.783 7.055 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.594 -3.170 3.045 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.104 -0.638 6.435 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.681 -2.033 2.430 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.923 -0.741 4.115 1.00 0.00 H new ATOM 1680 N VAL B 14 -2.083 -3.268 9.136 1.00 0.00 N ATOM 1681 CA VAL B 14 -2.418 -4.060 10.314 1.00 0.00 C ATOM 1682 C VAL B 14 -3.671 -3.555 11.052 1.00 0.00 C ATOM 1683 O VAL B 14 -4.443 -4.366 11.564 1.00 0.00 O ATOM 1684 CB VAL B 14 -1.219 -4.141 11.291 1.00 0.00 C ATOM 1685 CG1 VAL B 14 0.073 -3.774 10.577 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -1.421 -3.264 12.520 1.00 0.00 C ATOM 0 H VAL B 14 -1.730 -2.334 9.344 1.00 0.00 H new ATOM 0 HA VAL B 14 -2.650 -5.059 9.945 1.00 0.00 H new ATOM 0 HB VAL B 14 -1.151 -5.172 11.639 1.00 0.00 H new ATOM 0 HG11 VAL B 14 0.906 -3.836 11.277 1.00 0.00 H new ATOM 0 HG12 VAL B 14 0.241 -4.465 9.751 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -0.001 -2.758 10.190 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -0.555 -3.353 13.177 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -1.537 -2.225 12.211 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -2.315 -3.586 13.053 1.00 0.00 H new ATOM 1696 N PRO B 15 -3.895 -2.222 11.154 1.00 0.00 N ATOM 1697 CA PRO B 15 -5.060 -1.682 11.867 1.00 0.00 C ATOM 1698 C PRO B 15 -6.377 -2.249 11.349 1.00 0.00 C ATOM 1699 O PRO B 15 -7.245 -2.637 12.130 1.00 0.00 O ATOM 1700 CB PRO B 15 -4.990 -0.170 11.609 1.00 0.00 C ATOM 1701 CG PRO B 15 -4.025 -0.007 10.484 1.00 0.00 C ATOM 1702 CD PRO B 15 -3.057 -1.144 10.606 1.00 0.00 C ATOM 0 HA PRO B 15 -5.033 -1.943 12.925 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -5.970 0.230 11.348 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -4.653 0.365 12.497 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -4.538 -0.032 9.523 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -3.511 0.952 10.546 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -2.627 -1.415 9.642 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -2.226 -0.900 11.268 1.00 0.00 H new ATOM 1710 N GLY B 16 -6.521 -2.291 10.029 1.00 0.00 N ATOM 1711 CA GLY B 16 -7.741 -2.804 9.433 1.00 0.00 C ATOM 1712 C GLY B 16 -8.829 -1.752 9.357 1.00 0.00 C ATOM 1713 O GLY B 16 -9.706 -1.817 8.496 1.00 0.00 O ATOM 0 H GLY B 16 -5.816 -1.979 9.361 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -7.526 -3.174 8.431 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -8.099 -3.653 10.016 1.00 0.00 H new ATOM 1717 N VAL B 17 -8.766 -0.776 10.258 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.743 0.306 10.289 1.00 0.00 C ATOM 1719 C VAL B 17 -9.225 1.515 9.511 1.00 0.00 C ATOM 1720 O VAL B 17 -8.164 1.449 8.891 1.00 0.00 O ATOM 1721 CB VAL B 17 -10.080 0.711 11.742 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -9.049 1.685 12.294 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -11.482 1.300 11.825 1.00 0.00 C ATOM 0 H VAL B 17 -8.046 -0.713 10.978 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.657 -0.053 9.816 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.050 -0.188 12.357 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -9.312 1.952 13.317 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.064 1.218 12.283 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.031 2.584 11.678 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -11.699 1.578 12.856 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -11.544 2.184 11.190 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -12.208 0.560 11.488 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.981 2.611 9.536 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.592 3.823 8.823 1.00 0.00 C ATOM 1735 C LYS B 18 -8.247 4.339 9.323 1.00 0.00 C ATOM 1736 O LYS B 18 -8.185 5.134 10.260 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.660 4.905 8.992 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.987 4.558 8.339 1.00 0.00 C ATOM 1739 CD LYS B 18 -13.156 5.182 9.083 1.00 0.00 C ATOM 1740 CE LYS B 18 -14.450 4.435 8.813 1.00 0.00 C ATOM 1741 NZ LYS B 18 -15.301 4.336 10.031 1.00 0.00 N ATOM 0 H LYS B 18 -10.864 2.683 10.041 1.00 0.00 H new ATOM 0 HA LYS B 18 -9.498 3.578 7.765 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.823 5.080 10.055 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.289 5.839 8.569 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.986 4.904 7.305 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -12.108 3.475 8.312 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.950 5.180 10.153 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -13.266 6.224 8.781 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -15.004 4.943 8.024 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -14.221 3.434 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -16.174 3.819 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.783 3.829 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -15.541 5.291 10.365 1.00 0.00 H new ATOM 1755 N TYR B 19 -7.174 3.871 8.695 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.827 4.275 9.077 1.00 0.00 C ATOM 1757 C TYR B 19 -5.429 5.572 8.384 1.00 0.00 C ATOM 1758 O TYR B 19 -5.413 5.653 7.155 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.827 3.165 8.739 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.574 3.188 9.590 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.605 3.646 10.903 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.366 2.725 9.087 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.465 3.659 11.681 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.221 2.731 9.862 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.276 3.201 11.157 1.00 0.00 C ATOM 1766 OH TYR B 19 -0.138 3.210 11.931 1.00 0.00 O ATOM 0 H TYR B 19 -7.212 3.211 7.918 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.815 4.448 10.153 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.318 2.199 8.858 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.544 3.252 7.690 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.537 3.997 11.321 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.320 2.354 8.074 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.505 4.026 12.696 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.288 2.369 9.455 1.00 0.00 H new ATOM 0 HH TYR B 19 0.598 3.616 11.426 1.00 0.00 H new ATOM 1776 N GLY B 20 -5.113 6.588 9.181 1.00 0.00 N ATOM 1777 CA GLY B 20 -4.730 7.875 8.630 1.00 0.00 C ATOM 1778 C GLY B 20 -5.923 8.786 8.418 1.00 0.00 C ATOM 1779 O GLY B 20 -5.928 9.611 7.503 1.00 0.00 O ATOM 0 H GLY B 20 -5.115 6.543 10.200 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.020 8.359 9.301 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.218 7.723 7.680 1.00 0.00 H new ATOM 1783 N ASN B 21 -6.935 8.633 9.264 1.00 0.00 N ATOM 1784 CA ASN B 21 -8.143 9.443 9.170 1.00 0.00 C ATOM 1785 C ASN B 21 -8.053 10.663 10.081 1.00 0.00 C ATOM 1786 O ASN B 21 -7.233 10.702 10.999 1.00 0.00 O ATOM 1787 CB ASN B 21 -9.369 8.605 9.538 1.00 0.00 C ATOM 1788 CG ASN B 21 -10.666 9.238 9.073 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -10.682 10.026 8.127 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -11.763 8.891 9.735 1.00 0.00 N ATOM 0 H ASN B 21 -6.942 7.953 10.025 1.00 0.00 H new ATOM 0 HA ASN B 21 -8.242 9.789 8.141 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -9.273 7.613 9.096 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -9.402 8.470 10.619 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.666 9.281 9.466 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -11.703 8.234 10.513 1.00 0.00 H new ATOM 1797 N ILE B 22 -8.896 11.656 9.821 1.00 0.00 N ATOM 1798 CA ILE B 22 -8.910 12.877 10.618 1.00 0.00 C ATOM 1799 C ILE B 22 -10.292 13.126 11.215 1.00 0.00 C ATOM 1800 O ILE B 22 -10.361 13.604 12.366 1.00 0.00 O ATOM 1801 CB ILE B 22 -8.485 14.101 9.781 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -8.435 15.357 10.656 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -9.433 14.303 8.608 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -7.113 15.545 11.365 1.00 0.00 C ATOM 1805 OXT ILE B 22 -11.295 12.830 10.529 1.00 0.00 O ATOM 0 H ILE B 22 -9.579 11.639 9.064 1.00 0.00 H new ATOM 0 HA ILE B 22 -8.192 12.739 11.426 1.00 0.00 H new ATOM 0 HB ILE B 22 -7.486 13.917 9.385 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -8.633 16.231 10.035 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -9.232 15.306 11.398 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -9.117 15.171 8.030 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -9.418 13.418 7.972 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -10.444 14.465 8.981 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -7.149 16.453 11.966 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -6.922 14.689 12.012 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -6.314 15.628 10.629 1.00 0.00 H new TER 1817 ILE B 22