USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 968 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 Single : A 31 SER OG : rot 180:sc= -0.282 USER MOD Single : A 37 HIS : no HE2:sc= -5.4! C(o=-5.4!,f=-6.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.013) USER MOD Single : A 47 ASN : amide:sc= -0.0721 K(o=-0.072,f=-1.4) USER MOD Single : A 48 GLN : amide:sc= -4.91! C(o=-4.9!,f=-4.7!) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.209 (180deg=-1.19!) USER MOD Single : B 23 SER OG : rot 180:sc= -0.0157 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -7.62! C(o=-7.6!,f=-11!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2) USER MOD Single : B 47 ASN : amide:sc= 0.591 K(o=0.59,f=-0.68) USER MOD Single : B 48 GLN : amide:sc= -5.98! C(o=-6!,f=-6.4!) USER MOD Single : B 50 LYS NZ :NH3+ 171:sc= -1.11 (180deg=-1.49) USER MOD Single : C 23 SER OG : rot -55:sc= 0.747 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.75! C(o=-8.7!,f=-13!) USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.015) USER MOD Single : C 47 ASN : amide:sc= -2.88! C(o=-2.9!,f=-3.1!) USER MOD Single : C 48 GLN : amide:sc= -1.33! C(o=-1.3!,f=-7.4!) USER MOD Single : C 50 LYS NZ :NH3+ -108:sc= -2.88! (180deg=-7.18!) USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-11!) USER MOD Single : D 42 THR OG1 : rot -87:sc= 0.913 USER MOD Single : D 45 HIS : no HD1:sc= -0.895 K(o=-0.9,f=-1.5) USER MOD Single : D 47 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.45) USER MOD Single : D 48 GLN :FLIP amide:sc= -5.5! C(o=-14!,f=-5.5!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 24 79.229 1.988 4.484 1.00 0.00 N ATOM 12 CA ASP A 24 80.379 2.365 3.674 1.00 0.00 C ATOM 13 C ASP A 24 80.111 2.126 2.190 1.00 0.00 C ATOM 14 O ASP A 24 80.937 1.537 1.492 1.00 0.00 O ATOM 15 CB ASP A 24 81.604 1.560 4.107 1.00 0.00 C ATOM 16 CG ASP A 24 81.710 1.554 5.628 1.00 0.00 C ATOM 17 OD1 ASP A 24 81.628 2.623 6.212 1.00 0.00 O ATOM 18 OD2 ASP A 24 81.870 0.481 6.188 1.00 0.00 O ATOM 0 HA ASP A 24 80.564 3.429 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 24 81.529 0.538 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 24 82.506 1.992 3.673 1.00 0.00 H new ATOM 23 N PRO A 25 78.987 2.576 1.695 1.00 0.00 N ATOM 24 CA PRO A 25 78.619 2.414 0.254 1.00 0.00 C ATOM 25 C PRO A 25 79.462 3.316 -0.650 1.00 0.00 C ATOM 26 O PRO A 25 79.534 3.110 -1.861 1.00 0.00 O ATOM 27 CB PRO A 25 77.141 2.826 0.220 1.00 0.00 C ATOM 28 CG PRO A 25 76.998 3.794 1.348 1.00 0.00 C ATOM 29 CD PRO A 25 77.937 3.291 2.445 1.00 0.00 C ATOM 0 HA PRO A 25 78.793 1.402 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.879 3.285 -0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.486 1.965 0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 25 77.267 4.803 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.968 3.834 1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 25 78.350 4.114 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 25 77.422 2.631 3.143 1.00 0.00 H new ATOM 37 N LEU A 26 80.093 4.288 -0.054 1.00 0.00 N ATOM 38 CA LEU A 26 80.943 5.209 -0.803 1.00 0.00 C ATOM 39 C LEU A 26 82.246 4.527 -1.222 1.00 0.00 C ATOM 40 O LEU A 26 82.644 4.582 -2.385 1.00 0.00 O ATOM 41 CB LEU A 26 81.255 6.456 0.041 1.00 0.00 C ATOM 42 CG LEU A 26 79.980 6.948 0.787 1.00 0.00 C ATOM 43 CD1 LEU A 26 79.990 6.446 2.243 1.00 0.00 C ATOM 44 CD2 LEU A 26 79.921 8.492 0.783 1.00 0.00 C ATOM 0 H LEU A 26 80.044 4.474 0.948 1.00 0.00 H new ATOM 0 HA LEU A 26 80.404 5.512 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.039 6.226 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 26 81.636 7.250 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 26 79.105 6.551 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 26 79.094 6.796 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 26 80.011 5.356 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 26 80.873 6.830 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 26 79.025 8.823 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 80.803 8.891 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.893 8.852 -0.245 1.00 0.00 H new ATOM 56 N VAL A 27 82.897 3.913 -0.271 1.00 0.00 N ATOM 57 CA VAL A 27 84.168 3.236 -0.521 1.00 0.00 C ATOM 58 C VAL A 27 83.994 2.055 -1.459 1.00 0.00 C ATOM 59 O VAL A 27 84.844 1.795 -2.311 1.00 0.00 O ATOM 60 CB VAL A 27 84.756 2.737 0.804 1.00 0.00 C ATOM 61 CG1 VAL A 27 86.075 2.005 0.541 1.00 0.00 C ATOM 62 CG2 VAL A 27 85.012 3.925 1.734 1.00 0.00 C ATOM 0 H VAL A 27 82.576 3.860 0.696 1.00 0.00 H new ATOM 0 HA VAL A 27 84.842 3.954 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 27 84.049 2.053 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 27 86.490 1.652 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 27 85.894 1.155 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.781 2.687 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.430 3.567 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.715 4.611 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 27 84.073 4.444 1.928 1.00 0.00 H new ATOM 72 N VAL A 28 82.928 1.339 -1.281 1.00 0.00 N ATOM 73 CA VAL A 28 82.673 0.166 -2.098 1.00 0.00 C ATOM 74 C VAL A 28 82.309 0.524 -3.546 1.00 0.00 C ATOM 75 O VAL A 28 82.664 -0.210 -4.466 1.00 0.00 O ATOM 76 CB VAL A 28 81.564 -0.685 -1.440 1.00 0.00 C ATOM 77 CG1 VAL A 28 80.176 -0.231 -1.905 1.00 0.00 C ATOM 78 CG2 VAL A 28 81.763 -2.163 -1.798 1.00 0.00 C ATOM 0 H VAL A 28 82.213 1.536 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 28 83.595 -0.414 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 28 81.629 -0.554 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 28 79.413 -0.846 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 28 80.024 0.813 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 28 80.102 -0.337 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 28 80.979 -2.759 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 28 81.716 -2.285 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.736 -2.497 -1.437 1.00 0.00 H new ATOM 88 N ALA A 29 81.582 1.597 -3.755 1.00 0.00 N ATOM 89 CA ALA A 29 81.165 1.954 -5.112 1.00 0.00 C ATOM 90 C ALA A 29 82.347 2.191 -6.049 1.00 0.00 C ATOM 91 O ALA A 29 82.409 1.583 -7.119 1.00 0.00 O ATOM 92 CB ALA A 29 80.303 3.214 -5.066 1.00 0.00 C ATOM 0 H ALA A 29 81.266 2.235 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 29 80.598 1.110 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 29 79.993 3.480 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 29 79.421 3.029 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 29 80.879 4.033 -4.636 1.00 0.00 H new ATOM 98 N ALA A 30 83.267 3.049 -5.689 1.00 0.00 N ATOM 99 CA ALA A 30 84.392 3.298 -6.567 1.00 0.00 C ATOM 100 C ALA A 30 85.155 2.000 -6.794 1.00 0.00 C ATOM 101 O ALA A 30 85.433 1.610 -7.928 1.00 0.00 O ATOM 102 CB ALA A 30 85.304 4.307 -5.914 1.00 0.00 C ATOM 0 H ALA A 30 83.266 3.578 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 30 84.038 3.681 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 30 86.156 4.503 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.757 5.234 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 30 85.659 3.914 -4.961 1.00 0.00 H new ATOM 108 N SER A 31 85.464 1.352 -5.712 1.00 0.00 N ATOM 109 CA SER A 31 86.181 0.086 -5.769 1.00 0.00 C ATOM 110 C SER A 31 85.501 -0.861 -6.762 1.00 0.00 C ATOM 111 O SER A 31 86.152 -1.433 -7.636 1.00 0.00 O ATOM 112 CB SER A 31 86.191 -0.548 -4.381 1.00 0.00 C ATOM 113 OG SER A 31 86.903 -1.777 -4.427 1.00 0.00 O ATOM 0 H SER A 31 85.236 1.669 -4.770 1.00 0.00 H new ATOM 0 HA SER A 31 87.204 0.267 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.657 0.128 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 31 85.170 -0.719 -4.040 1.00 0.00 H new ATOM 0 HG SER A 31 86.911 -2.184 -3.536 1.00 0.00 H new ATOM 119 N ILE A 32 84.214 -1.033 -6.604 1.00 0.00 N ATOM 120 CA ILE A 32 83.447 -1.931 -7.470 1.00 0.00 C ATOM 121 C ILE A 32 83.747 -1.660 -8.948 1.00 0.00 C ATOM 122 O ILE A 32 84.047 -2.590 -9.698 1.00 0.00 O ATOM 123 CB ILE A 32 81.938 -1.769 -7.174 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.569 -2.591 -5.932 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.090 -2.254 -8.357 1.00 0.00 C ATOM 126 CD1 ILE A 32 80.178 -2.185 -5.442 1.00 0.00 C ATOM 0 H ILE A 32 83.661 -0.567 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 32 83.742 -2.959 -7.261 1.00 0.00 H new ATOM 0 HB ILE A 32 81.736 -0.711 -7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.586 -3.655 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 32 82.305 -2.429 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.033 -2.129 -8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.336 -1.671 -9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.298 -3.307 -8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.918 -2.770 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 32 80.177 -1.125 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.447 -2.370 -6.229 1.00 0.00 H new ATOM 138 N ILE A 33 83.681 -0.425 -9.360 1.00 0.00 N ATOM 139 CA ILE A 33 83.968 -0.105 -10.756 1.00 0.00 C ATOM 140 C ILE A 33 85.421 -0.467 -11.068 1.00 0.00 C ATOM 141 O ILE A 33 85.727 -1.022 -12.123 1.00 0.00 O ATOM 142 CB ILE A 33 83.721 1.387 -11.037 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.217 1.683 -10.962 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.233 1.735 -12.439 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.978 3.199 -11.016 1.00 0.00 C ATOM 0 H ILE A 33 83.437 0.373 -8.773 1.00 0.00 H new ATOM 0 HA ILE A 33 83.301 -0.683 -11.396 1.00 0.00 H new ATOM 0 HB ILE A 33 84.249 1.985 -10.294 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.700 1.195 -11.788 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.803 1.274 -10.041 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.058 2.792 -12.638 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.301 1.527 -12.498 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.704 1.134 -13.179 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.908 3.401 -10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.480 3.677 -10.175 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.376 3.597 -11.949 1.00 0.00 H new ATOM 157 N GLY A 34 86.292 -0.127 -10.160 1.00 0.00 N ATOM 158 CA GLY A 34 87.717 -0.387 -10.333 1.00 0.00 C ATOM 159 C GLY A 34 87.988 -1.830 -10.767 1.00 0.00 C ATOM 160 O GLY A 34 88.730 -2.065 -11.720 1.00 0.00 O ATOM 0 H GLY A 34 86.051 0.334 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.123 0.298 -11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.239 -0.186 -9.397 1.00 0.00 H new ATOM 164 N ILE A 35 87.404 -2.775 -10.082 1.00 0.00 N ATOM 165 CA ILE A 35 87.610 -4.185 -10.420 1.00 0.00 C ATOM 166 C ILE A 35 86.946 -4.531 -11.751 1.00 0.00 C ATOM 167 O ILE A 35 87.428 -5.386 -12.494 1.00 0.00 O ATOM 168 CB ILE A 35 87.035 -5.080 -9.320 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.663 -4.703 -7.976 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.351 -6.545 -9.635 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.959 -5.466 -6.852 1.00 0.00 C ATOM 0 H ILE A 35 86.783 -2.612 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 35 88.683 -4.356 -10.508 1.00 0.00 H new ATOM 0 HB ILE A 35 85.955 -4.943 -9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.727 -4.940 -7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.577 -3.629 -7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.941 -7.182 -8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.906 -6.816 -10.592 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.431 -6.681 -9.686 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.406 -5.198 -5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.900 -5.207 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 35 87.068 -6.538 -7.016 1.00 0.00 H new ATOM 183 N LEU A 36 85.852 -3.883 -12.028 1.00 0.00 N ATOM 184 CA LEU A 36 85.107 -4.129 -13.260 1.00 0.00 C ATOM 185 C LEU A 36 85.953 -3.820 -14.496 1.00 0.00 C ATOM 186 O LEU A 36 85.777 -4.438 -15.547 1.00 0.00 O ATOM 187 CB LEU A 36 83.854 -3.242 -13.274 1.00 0.00 C ATOM 188 CG LEU A 36 82.905 -3.655 -14.420 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.995 -4.803 -13.966 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.033 -2.459 -14.822 1.00 0.00 C ATOM 0 H LEU A 36 85.442 -3.172 -11.422 1.00 0.00 H new ATOM 0 HA LEU A 36 84.832 -5.183 -13.289 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.335 -3.322 -12.319 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.143 -2.198 -13.393 1.00 0.00 H new ATOM 0 HG LEU A 36 83.504 -3.982 -15.270 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.331 -5.085 -14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.605 -5.660 -13.682 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.402 -4.480 -13.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.364 -2.752 -15.631 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.445 -2.133 -13.964 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.670 -1.640 -15.157 1.00 0.00 H new ATOM 202 N HIS A 37 86.836 -2.870 -14.376 1.00 0.00 N ATOM 203 CA HIS A 37 87.682 -2.477 -15.502 1.00 0.00 C ATOM 204 C HIS A 37 88.754 -3.528 -15.830 1.00 0.00 C ATOM 205 O HIS A 37 89.185 -3.639 -16.976 1.00 0.00 O ATOM 206 CB HIS A 37 88.314 -1.090 -15.217 1.00 0.00 C ATOM 207 CG HIS A 37 89.700 -1.213 -14.624 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.734 -1.871 -15.274 1.00 0.00 N ATOM 209 CD2 HIS A 37 90.238 -0.745 -13.451 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.826 -1.784 -14.494 1.00 0.00 C ATOM 211 NE2 HIS A 37 91.579 -1.107 -13.371 1.00 0.00 N ATOM 0 H HIS A 37 87.000 -2.345 -13.517 1.00 0.00 H new ATOM 0 HA HIS A 37 87.052 -2.407 -16.388 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.365 -0.517 -16.143 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.674 -0.533 -14.532 1.00 0.00 H new ATOM 0 HD1 HIS A 37 90.676 -2.337 -16.180 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.701 -0.181 -12.703 1.00 0.00 H new ATOM 0 HE1 HIS A 37 92.786 -2.210 -14.746 1.00 0.00 H new ATOM 220 N PHE A 38 89.205 -4.252 -14.840 1.00 0.00 N ATOM 221 CA PHE A 38 90.260 -5.243 -15.062 1.00 0.00 C ATOM 222 C PHE A 38 89.859 -6.284 -16.112 1.00 0.00 C ATOM 223 O PHE A 38 90.617 -6.546 -17.047 1.00 0.00 O ATOM 224 CB PHE A 38 90.610 -5.949 -13.748 1.00 0.00 C ATOM 225 CG PHE A 38 91.683 -6.982 -14.006 1.00 0.00 C ATOM 226 CD1 PHE A 38 93.032 -6.605 -14.025 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.328 -8.319 -14.232 1.00 0.00 C ATOM 228 CE1 PHE A 38 94.024 -7.562 -14.270 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.321 -9.275 -14.476 1.00 0.00 C ATOM 230 CZ PHE A 38 93.668 -8.897 -14.496 1.00 0.00 C ATOM 0 H PHE A 38 88.872 -4.187 -13.878 1.00 0.00 H new ATOM 0 HA PHE A 38 91.132 -4.707 -15.437 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.957 -5.223 -13.013 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.723 -6.426 -13.331 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.307 -5.575 -13.851 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.288 -8.612 -14.218 1.00 0.00 H new ATOM 0 HE1 PHE A 38 95.064 -7.270 -14.285 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.047 -10.305 -14.649 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.433 -9.635 -14.686 1.00 0.00 H new ATOM 240 N ILE A 39 88.707 -6.877 -15.956 1.00 0.00 N ATOM 241 CA ILE A 39 88.257 -7.895 -16.905 1.00 0.00 C ATOM 242 C ILE A 39 88.299 -7.355 -18.335 1.00 0.00 C ATOM 243 O ILE A 39 88.534 -8.102 -19.283 1.00 0.00 O ATOM 244 CB ILE A 39 86.828 -8.350 -16.565 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.822 -9.120 -15.233 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.307 -9.275 -17.671 1.00 0.00 C ATOM 247 CD1 ILE A 39 87.014 -8.162 -14.050 1.00 0.00 C ATOM 0 H ILE A 39 88.058 -6.685 -15.193 1.00 0.00 H new ATOM 0 HA ILE A 39 88.931 -8.749 -16.831 1.00 0.00 H new ATOM 0 HB ILE A 39 86.190 -7.470 -16.481 1.00 0.00 H new ATOM 0 HG12 ILE A 39 85.880 -9.657 -15.123 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.617 -9.866 -15.235 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.294 -9.597 -17.429 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.300 -8.739 -18.620 1.00 0.00 H new ATOM 0 HG23 ILE A 39 86.956 -10.147 -17.751 1.00 0.00 H new ATOM 0 HD11 ILE A 39 87.006 -8.728 -13.119 1.00 0.00 H new ATOM 0 HD12 ILE A 39 87.968 -7.644 -14.152 1.00 0.00 H new ATOM 0 HD13 ILE A 39 86.204 -7.432 -14.038 1.00 0.00 H new ATOM 259 N ALA A 40 88.091 -6.079 -18.474 1.00 0.00 N ATOM 260 CA ALA A 40 88.130 -5.449 -19.790 1.00 0.00 C ATOM 261 C ALA A 40 89.566 -5.340 -20.300 1.00 0.00 C ATOM 262 O ALA A 40 89.810 -5.299 -21.503 1.00 0.00 O ATOM 263 CB ALA A 40 87.483 -4.064 -19.736 1.00 0.00 C ATOM 0 H ALA A 40 87.892 -5.442 -17.702 1.00 0.00 H new ATOM 0 HA ALA A 40 87.567 -6.075 -20.482 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.520 -3.607 -20.725 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.445 -4.160 -19.419 1.00 0.00 H new ATOM 0 HB3 ALA A 40 88.023 -3.438 -19.026 1.00 0.00 H new ATOM 269 N TRP A 41 90.489 -5.235 -19.387 1.00 0.00 N ATOM 270 CA TRP A 41 91.896 -5.071 -19.724 1.00 0.00 C ATOM 271 C TRP A 41 92.449 -6.225 -20.561 1.00 0.00 C ATOM 272 O TRP A 41 93.091 -6.003 -21.588 1.00 0.00 O ATOM 273 CB TRP A 41 92.680 -4.980 -18.416 1.00 0.00 C ATOM 274 CG TRP A 41 94.050 -4.470 -18.685 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.998 -5.128 -19.385 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.641 -3.211 -18.266 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.134 -4.340 -19.441 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.961 -3.148 -18.759 1.00 0.00 C ATOM 279 CE3 TRP A 41 94.159 -2.124 -17.512 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.776 -2.044 -18.517 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.981 -1.014 -17.263 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.287 -0.975 -17.766 1.00 0.00 C ATOM 0 H TRP A 41 90.299 -5.259 -18.385 1.00 0.00 H new ATOM 0 HA TRP A 41 91.998 -4.169 -20.327 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.166 -4.318 -17.719 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.733 -5.961 -17.944 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.888 -6.107 -19.828 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.992 -4.605 -19.925 1.00 0.00 H new ATOM 0 HE3 TRP A 41 93.152 -2.144 -17.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.782 -2.016 -18.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.604 -0.186 -16.681 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.915 -0.118 -17.573 1.00 0.00 H new ATOM 293 N THR A 42 92.241 -7.420 -20.104 1.00 0.00 N ATOM 294 CA THR A 42 92.763 -8.602 -20.789 1.00 0.00 C ATOM 295 C THR A 42 92.446 -8.608 -22.288 1.00 0.00 C ATOM 296 O THR A 42 93.320 -8.908 -23.099 1.00 0.00 O ATOM 297 CB THR A 42 92.195 -9.868 -20.144 1.00 0.00 C ATOM 298 OG1 THR A 42 92.224 -10.932 -21.087 1.00 0.00 O ATOM 299 CG2 THR A 42 90.757 -9.610 -19.707 1.00 0.00 C ATOM 0 H THR A 42 91.712 -7.622 -19.256 1.00 0.00 H new ATOM 0 HA THR A 42 93.848 -8.575 -20.686 1.00 0.00 H new ATOM 0 HB THR A 42 92.795 -10.138 -19.275 1.00 0.00 H new ATOM 0 HG1 THR A 42 91.862 -11.744 -20.675 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.349 -10.510 -19.247 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.737 -8.793 -18.986 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.155 -9.342 -20.575 1.00 0.00 H new ATOM 307 N ILE A 43 91.225 -8.315 -22.655 1.00 0.00 N ATOM 308 CA ILE A 43 90.867 -8.339 -24.074 1.00 0.00 C ATOM 309 C ILE A 43 91.630 -7.272 -24.867 1.00 0.00 C ATOM 310 O ILE A 43 92.107 -7.540 -25.969 1.00 0.00 O ATOM 311 CB ILE A 43 89.352 -8.170 -24.263 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.843 -6.973 -23.460 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.636 -9.434 -23.779 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.405 -6.654 -23.875 1.00 0.00 C ATOM 0 H ILE A 43 90.469 -8.061 -22.019 1.00 0.00 H new ATOM 0 HA ILE A 43 91.156 -9.315 -24.464 1.00 0.00 H new ATOM 0 HB ILE A 43 89.148 -8.003 -25.321 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.885 -7.193 -22.393 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.483 -6.108 -23.632 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.561 -9.317 -23.912 1.00 0.00 H new ATOM 0 HG22 ILE A 43 88.982 -10.292 -24.356 1.00 0.00 H new ATOM 0 HG23 ILE A 43 88.856 -9.595 -22.724 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.042 -5.800 -23.302 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.377 -6.416 -24.938 1.00 0.00 H new ATOM 0 HD13 ILE A 43 86.770 -7.518 -23.680 1.00 0.00 H new ATOM 326 N GLY A 44 91.739 -6.089 -24.324 1.00 0.00 N ATOM 327 CA GLY A 44 92.443 -5.003 -25.008 1.00 0.00 C ATOM 328 C GLY A 44 93.940 -5.288 -25.131 1.00 0.00 C ATOM 329 O GLY A 44 94.579 -4.903 -26.109 1.00 0.00 O ATOM 0 H GLY A 44 91.355 -5.839 -23.413 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.017 -4.862 -26.001 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.294 -4.072 -24.462 1.00 0.00 H new ATOM 333 N HIS A 45 94.481 -5.944 -24.142 1.00 0.00 N ATOM 334 CA HIS A 45 95.901 -6.270 -24.127 1.00 0.00 C ATOM 335 C HIS A 45 96.337 -6.918 -25.443 1.00 0.00 C ATOM 336 O HIS A 45 97.507 -6.846 -25.819 1.00 0.00 O ATOM 337 CB HIS A 45 96.200 -7.200 -22.954 1.00 0.00 C ATOM 338 CG HIS A 45 97.689 -7.284 -22.743 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.381 -8.481 -22.830 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.630 -6.326 -22.443 1.00 0.00 C ATOM 341 CE1 HIS A 45 99.678 -8.217 -22.586 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.884 -6.920 -22.345 1.00 0.00 N ATOM 0 H HIS A 45 93.965 -6.270 -23.325 1.00 0.00 H new ATOM 0 HA HIS A 45 96.466 -5.345 -24.011 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.715 -6.830 -22.051 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.794 -8.192 -23.151 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.426 -5.274 -22.305 1.00 0.00 H new ATOM 0 HE1 HIS A 45 100.458 -8.964 -22.585 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.771 -6.463 -22.134 1.00 0.00 H new ATOM 351 N LEU A 46 95.424 -7.583 -26.098 1.00 0.00 N ATOM 352 CA LEU A 46 95.744 -8.289 -27.339 1.00 0.00 C ATOM 353 C LEU A 46 96.609 -7.426 -28.262 1.00 0.00 C ATOM 354 O LEU A 46 97.405 -7.952 -29.038 1.00 0.00 O ATOM 355 CB LEU A 46 94.430 -8.703 -28.051 1.00 0.00 C ATOM 356 CG LEU A 46 93.931 -7.580 -29.005 1.00 0.00 C ATOM 357 CD1 LEU A 46 94.672 -7.640 -30.372 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.409 -7.711 -29.232 1.00 0.00 C ATOM 0 H LEU A 46 94.450 -7.659 -25.805 1.00 0.00 H new ATOM 0 HA LEU A 46 96.319 -9.182 -27.094 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.593 -9.620 -28.618 1.00 0.00 H new ATOM 0 HB3 LEU A 46 93.663 -8.920 -27.308 1.00 0.00 H new ATOM 0 HG LEU A 46 94.145 -6.619 -28.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.305 -6.844 -31.020 1.00 0.00 H new ATOM 0 HD12 LEU A 46 95.742 -7.512 -30.212 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.489 -8.606 -30.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 92.071 -6.920 -29.901 1.00 0.00 H new ATOM 0 HD22 LEU A 46 92.190 -8.681 -29.678 1.00 0.00 H new ATOM 0 HD23 LEU A 46 91.890 -7.625 -28.277 1.00 0.00 H new ATOM 370 N ASN A 47 96.466 -6.134 -28.174 1.00 0.00 N ATOM 371 CA ASN A 47 97.270 -5.252 -29.016 1.00 0.00 C ATOM 372 C ASN A 47 98.760 -5.466 -28.728 1.00 0.00 C ATOM 373 O ASN A 47 99.556 -5.673 -29.643 1.00 0.00 O ATOM 374 CB ASN A 47 96.904 -3.791 -28.749 1.00 0.00 C ATOM 375 CG ASN A 47 95.401 -3.588 -28.913 1.00 0.00 C ATOM 376 OD1 ASN A 47 94.745 -4.351 -29.622 1.00 0.00 O ATOM 377 ND2 ASN A 47 94.813 -2.598 -28.297 1.00 0.00 N ATOM 0 H ASN A 47 95.817 -5.661 -27.545 1.00 0.00 H new ATOM 0 HA ASN A 47 97.067 -5.487 -30.061 1.00 0.00 H new ATOM 0 HB2 ASN A 47 97.209 -3.510 -27.741 1.00 0.00 H new ATOM 0 HB3 ASN A 47 97.444 -3.141 -29.438 1.00 0.00 H new ATOM 0 HD21 ASN A 47 93.809 -2.456 -28.403 1.00 0.00 H new ATOM 0 HD22 ASN A 47 95.358 -1.967 -27.710 1.00 0.00 H new ATOM 384 N GLN A 48 99.119 -5.406 -27.470 1.00 0.00 N ATOM 385 CA GLN A 48 100.510 -5.584 -27.064 1.00 0.00 C ATOM 386 C GLN A 48 101.088 -6.877 -27.632 1.00 0.00 C ATOM 387 O GLN A 48 102.092 -6.854 -28.343 1.00 0.00 O ATOM 388 CB GLN A 48 100.611 -5.599 -25.535 1.00 0.00 C ATOM 389 CG GLN A 48 102.080 -5.510 -25.102 1.00 0.00 C ATOM 390 CD GLN A 48 102.765 -6.862 -25.275 1.00 0.00 C ATOM 391 OE1 GLN A 48 102.665 -7.726 -24.403 1.00 0.00 O ATOM 392 NE2 GLN A 48 103.461 -7.099 -26.354 1.00 0.00 N ATOM 0 H GLN A 48 98.473 -5.235 -26.700 1.00 0.00 H new ATOM 0 HA GLN A 48 101.088 -4.748 -27.459 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.050 -4.763 -25.118 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.163 -6.512 -25.142 1.00 0.00 H new ATOM 0 HG2 GLN A 48 102.596 -4.755 -25.695 1.00 0.00 H new ATOM 0 HG3 GLN A 48 102.141 -5.194 -24.061 1.00 0.00 H new ATOM 0 HE21 GLN A 48 103.543 -6.383 -27.076 1.00 0.00 H new ATOM 0 HE22 GLN A 48 103.923 -8.000 -26.475 1.00 0.00 H new ATOM 401 N ILE A 49 100.468 -7.984 -27.323 1.00 0.00 N ATOM 402 CA ILE A 49 100.948 -9.272 -27.815 1.00 0.00 C ATOM 403 C ILE A 49 101.216 -9.199 -29.314 1.00 0.00 C ATOM 404 O ILE A 49 102.294 -9.572 -29.781 1.00 0.00 O ATOM 405 CB ILE A 49 99.908 -10.362 -27.538 1.00 0.00 C ATOM 406 CG1 ILE A 49 99.483 -10.321 -26.063 1.00 0.00 C ATOM 407 CG2 ILE A 49 100.503 -11.734 -27.864 1.00 0.00 C ATOM 408 CD1 ILE A 49 100.711 -10.373 -25.149 1.00 0.00 C ATOM 0 H ILE A 49 99.634 -8.033 -26.738 1.00 0.00 H new ATOM 0 HA ILE A 49 101.875 -9.516 -27.296 1.00 0.00 H new ATOM 0 HB ILE A 49 99.033 -10.187 -28.165 1.00 0.00 H new ATOM 0 HG12 ILE A 49 98.915 -9.412 -25.867 1.00 0.00 H new ATOM 0 HG13 ILE A 49 98.824 -11.161 -25.845 1.00 0.00 H new ATOM 0 HG21 ILE A 49 99.762 -12.508 -27.666 1.00 0.00 H new ATOM 0 HG22 ILE A 49 100.790 -11.766 -28.915 1.00 0.00 H new ATOM 0 HG23 ILE A 49 101.382 -11.906 -27.243 1.00 0.00 H new ATOM 0 HD11 ILE A 49 100.391 -10.343 -24.107 1.00 0.00 H new ATOM 0 HD12 ILE A 49 101.263 -11.295 -25.333 1.00 0.00 H new ATOM 0 HD13 ILE A 49 101.355 -9.518 -25.355 1.00 0.00 H new ATOM 420 N LYS A 50 100.249 -8.727 -30.049 1.00 0.00 N ATOM 421 CA LYS A 50 100.391 -8.610 -31.496 1.00 0.00 C ATOM 422 C LYS A 50 101.486 -7.599 -31.841 1.00 0.00 C ATOM 423 O LYS A 50 102.569 -7.973 -32.291 1.00 0.00 O ATOM 424 CB LYS A 50 99.049 -8.182 -32.119 1.00 0.00 C ATOM 425 CG LYS A 50 98.934 -8.708 -33.556 1.00 0.00 C ATOM 426 CD LYS A 50 100.045 -8.106 -34.422 1.00 0.00 C ATOM 427 CE LYS A 50 99.720 -8.332 -35.900 1.00 0.00 C ATOM 428 NZ LYS A 50 98.422 -7.679 -36.231 1.00 0.00 N ATOM 0 H LYS A 50 99.350 -8.414 -29.683 1.00 0.00 H new ATOM 0 HA LYS A 50 100.676 -9.579 -31.905 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.224 -8.564 -31.518 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.969 -7.095 -32.115 1.00 0.00 H new ATOM 0 HG2 LYS A 50 99.006 -9.796 -33.561 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.959 -8.451 -33.970 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.141 -7.039 -34.219 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.002 -8.565 -34.175 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.514 -7.923 -36.524 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.666 -9.400 -36.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.441 -7.349 -37.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.648 -8.363 -36.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.270 -6.868 -35.597 1.00 0.00 H new ATOM 442 N ARG A 51 101.200 -6.341 -31.632 1.00 0.00 N ATOM 443 CA ARG A 51 102.166 -5.285 -31.925 1.00 0.00 C ATOM 444 C ARG A 51 103.185 -5.165 -30.797 1.00 0.00 C ATOM 445 O ARG A 51 102.855 -4.737 -29.691 1.00 0.00 O ATOM 446 CB ARG A 51 101.439 -3.949 -32.103 1.00 0.00 C ATOM 447 CG ARG A 51 102.387 -2.931 -32.742 1.00 0.00 C ATOM 448 CD ARG A 51 101.635 -1.622 -32.991 1.00 0.00 C ATOM 449 NE ARG A 51 102.460 -0.706 -33.770 1.00 0.00 N ATOM 450 CZ ARG A 51 101.989 0.438 -34.185 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.760 0.779 -33.907 1.00 0.00 N ATOM 452 NH2 ARG A 51 102.747 1.243 -34.881 1.00 0.00 N ATOM 0 H ARG A 51 100.309 -6.010 -31.260 1.00 0.00 H new ATOM 0 HA ARG A 51 102.689 -5.540 -32.847 1.00 0.00 H new ATOM 0 HB2 ARG A 51 100.557 -4.084 -32.730 1.00 0.00 H new ATOM 0 HB3 ARG A 51 101.091 -3.581 -31.138 1.00 0.00 H new ATOM 0 HG2 ARG A 51 103.242 -2.754 -32.089 1.00 0.00 H new ATOM 0 HG3 ARG A 51 102.779 -3.322 -33.681 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.704 -1.824 -33.521 1.00 0.00 H new ATOM 0 HD3 ARG A 51 101.367 -1.162 -32.040 1.00 0.00 H new ATOM 0 HE ARG A 51 103.421 -0.964 -33.994 1.00 0.00 H new ATOM 0 HH11 ARG A 51 100.167 0.151 -33.365 1.00 0.00 H new ATOM 0 HH12 ARG A 51 100.393 1.673 -34.232 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.707 0.977 -35.100 1.00 0.00 H new ATOM 0 HH22 ARG A 51 102.379 2.137 -35.205 1.00 0.00 H new ATOM 466 N GLY A 52 104.404 -5.539 -31.079 1.00 0.00 N ATOM 467 CA GLY A 52 105.465 -5.470 -30.081 1.00 0.00 C ATOM 468 C GLY A 52 105.797 -4.022 -29.738 1.00 0.00 C ATOM 0 H GLY A 52 104.698 -5.896 -31.988 1.00 0.00 H new ATOM 0 HA2 GLY A 52 105.157 -6.000 -29.180 1.00 0.00 H new ATOM 0 HA3 GLY A 52 106.356 -5.972 -30.457 1.00 0.00 H new ATOM 473 N SER B 23 84.041 17.620 5.165 1.00 0.00 N ATOM 474 CA SER B 23 83.455 18.571 4.179 1.00 0.00 C ATOM 475 C SER B 23 84.193 18.442 2.850 1.00 0.00 C ATOM 476 O SER B 23 84.352 19.422 2.121 1.00 0.00 O ATOM 477 CB SER B 23 83.586 19.999 4.714 1.00 0.00 C ATOM 478 OG SER B 23 84.937 20.423 4.596 1.00 0.00 O ATOM 0 HA SER B 23 82.401 18.341 4.025 1.00 0.00 H new ATOM 0 HB2 SER B 23 82.932 20.670 4.156 1.00 0.00 H new ATOM 0 HB3 SER B 23 83.270 20.039 5.756 1.00 0.00 H new ATOM 0 HG SER B 23 85.024 21.338 4.936 1.00 0.00 H new ATOM 483 N ASP B 24 84.636 17.250 2.546 1.00 0.00 N ATOM 484 CA ASP B 24 85.357 16.999 1.302 1.00 0.00 C ATOM 485 C ASP B 24 85.163 15.553 0.867 1.00 0.00 C ATOM 486 O ASP B 24 86.063 14.729 1.019 1.00 0.00 O ATOM 487 CB ASP B 24 86.851 17.272 1.502 1.00 0.00 C ATOM 488 CG ASP B 24 87.078 18.747 1.811 1.00 0.00 C ATOM 489 OD1 ASP B 24 86.620 19.572 1.037 1.00 0.00 O ATOM 490 OD2 ASP B 24 87.705 19.031 2.818 1.00 0.00 O ATOM 0 H ASP B 24 84.515 16.428 3.138 1.00 0.00 H new ATOM 0 HA ASP B 24 84.966 17.662 0.531 1.00 0.00 H new ATOM 0 HB2 ASP B 24 87.235 16.659 2.317 1.00 0.00 H new ATOM 0 HB3 ASP B 24 87.403 16.991 0.605 1.00 0.00 H new ATOM 495 N PRO B 25 84.008 15.235 0.335 1.00 0.00 N ATOM 496 CA PRO B 25 83.686 13.851 -0.130 1.00 0.00 C ATOM 497 C PRO B 25 84.801 13.264 -0.996 1.00 0.00 C ATOM 498 O PRO B 25 84.711 13.245 -2.222 1.00 0.00 O ATOM 499 CB PRO B 25 82.386 14.037 -0.925 1.00 0.00 C ATOM 500 CG PRO B 25 81.737 15.238 -0.315 1.00 0.00 C ATOM 501 CD PRO B 25 82.881 16.158 0.121 1.00 0.00 C ATOM 0 HA PRO B 25 83.582 13.145 0.694 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.589 14.192 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.745 13.159 -0.848 1.00 0.00 H new ATOM 0 HG2 PRO B 25 81.086 15.737 -1.033 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.116 14.957 0.536 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.111 16.901 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO B 25 82.632 16.704 1.031 1.00 0.00 H new ATOM 509 N LEU B 26 85.828 12.792 -0.349 1.00 0.00 N ATOM 510 CA LEU B 26 86.972 12.200 -1.039 1.00 0.00 C ATOM 511 C LEU B 26 86.584 10.857 -1.653 1.00 0.00 C ATOM 512 O LEU B 26 86.842 10.600 -2.827 1.00 0.00 O ATOM 513 CB LEU B 26 88.111 12.015 -0.008 1.00 0.00 C ATOM 514 CG LEU B 26 89.458 12.503 -0.558 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.497 12.463 0.563 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.903 11.592 -1.705 1.00 0.00 C ATOM 0 H LEU B 26 85.910 12.800 0.668 1.00 0.00 H new ATOM 0 HA LEU B 26 87.302 12.852 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.870 12.563 0.903 1.00 0.00 H new ATOM 0 HB3 LEU B 26 88.189 10.962 0.264 1.00 0.00 H new ATOM 0 HG LEU B 26 89.358 13.523 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU B 26 91.458 12.808 0.181 1.00 0.00 H new ATOM 0 HD12 LEU B 26 90.177 13.111 1.379 1.00 0.00 H new ATOM 0 HD13 LEU B 26 90.598 11.441 0.929 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.860 11.939 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.010 10.571 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.157 11.616 -2.499 1.00 0.00 H new ATOM 528 N VAL B 27 85.993 10.015 -0.856 1.00 0.00 N ATOM 529 CA VAL B 27 85.598 8.700 -1.325 1.00 0.00 C ATOM 530 C VAL B 27 84.680 8.792 -2.538 1.00 0.00 C ATOM 531 O VAL B 27 84.873 8.078 -3.522 1.00 0.00 O ATOM 532 CB VAL B 27 84.879 7.934 -0.219 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.528 6.546 -0.739 1.00 0.00 C ATOM 534 CG2 VAL B 27 85.791 7.805 1.001 1.00 0.00 C ATOM 0 H VAL B 27 85.770 10.206 0.121 1.00 0.00 H new ATOM 0 HA VAL B 27 86.508 8.173 -1.611 1.00 0.00 H new ATOM 0 HB VAL B 27 83.974 8.467 0.071 1.00 0.00 H new ATOM 0 HG11 VAL B 27 84.013 5.985 0.041 1.00 0.00 H new ATOM 0 HG12 VAL B 27 83.879 6.637 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.441 6.021 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL B 27 85.272 7.257 1.787 1.00 0.00 H new ATOM 0 HG22 VAL B 27 86.698 7.268 0.722 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.055 8.798 1.365 1.00 0.00 H new ATOM 544 N VAL B 28 83.702 9.657 -2.480 1.00 0.00 N ATOM 545 CA VAL B 28 82.770 9.832 -3.587 1.00 0.00 C ATOM 546 C VAL B 28 83.447 10.496 -4.778 1.00 0.00 C ATOM 547 O VAL B 28 83.008 10.345 -5.919 1.00 0.00 O ATOM 548 CB VAL B 28 81.591 10.696 -3.138 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.606 10.857 -4.298 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.886 10.024 -1.962 1.00 0.00 C ATOM 0 H VAL B 28 83.521 10.260 -1.677 1.00 0.00 H new ATOM 0 HA VAL B 28 82.419 8.845 -3.890 1.00 0.00 H new ATOM 0 HB VAL B 28 81.955 11.676 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.765 11.473 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL B 28 81.108 11.336 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.242 9.877 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.045 10.640 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.522 9.043 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL B 28 81.587 9.909 -1.135 1.00 0.00 H new ATOM 560 N ALA B 29 84.488 11.234 -4.512 1.00 0.00 N ATOM 561 CA ALA B 29 85.203 11.934 -5.571 1.00 0.00 C ATOM 562 C ALA B 29 85.809 10.961 -6.575 1.00 0.00 C ATOM 563 O ALA B 29 85.827 11.239 -7.772 1.00 0.00 O ATOM 564 CB ALA B 29 86.310 12.810 -4.982 1.00 0.00 C ATOM 0 H ALA B 29 84.869 11.374 -3.576 1.00 0.00 H new ATOM 0 HA ALA B 29 84.479 12.561 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.833 13.325 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.872 13.544 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA B 29 87.014 12.186 -4.433 1.00 0.00 H new ATOM 570 N ALA B 30 86.295 9.839 -6.114 1.00 0.00 N ATOM 571 CA ALA B 30 86.866 8.882 -7.042 1.00 0.00 C ATOM 572 C ALA B 30 85.763 8.197 -7.851 1.00 0.00 C ATOM 573 O ALA B 30 85.867 8.052 -9.068 1.00 0.00 O ATOM 574 CB ALA B 30 87.690 7.865 -6.296 1.00 0.00 C ATOM 0 H ALA B 30 86.311 9.564 -5.132 1.00 0.00 H new ATOM 0 HA ALA B 30 87.517 9.413 -7.737 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.114 7.151 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.495 8.370 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.057 7.337 -5.582 1.00 0.00 H new ATOM 580 N SER B 31 84.756 7.732 -7.158 1.00 0.00 N ATOM 581 CA SER B 31 83.665 6.995 -7.791 1.00 0.00 C ATOM 582 C SER B 31 83.161 7.663 -9.071 1.00 0.00 C ATOM 583 O SER B 31 83.035 6.993 -10.096 1.00 0.00 O ATOM 584 CB SER B 31 82.497 6.889 -6.812 1.00 0.00 C ATOM 585 OG SER B 31 81.369 6.346 -7.485 1.00 0.00 O ATOM 0 H SER B 31 84.658 7.846 -6.149 1.00 0.00 H new ATOM 0 HA SER B 31 84.056 6.013 -8.058 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.771 6.256 -5.968 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.256 7.872 -6.408 1.00 0.00 H new ATOM 0 HG SER B 31 80.618 6.275 -6.860 1.00 0.00 H new ATOM 591 N ILE B 32 82.851 8.931 -9.037 1.00 0.00 N ATOM 592 CA ILE B 32 82.339 9.590 -10.243 1.00 0.00 C ATOM 593 C ILE B 32 83.287 9.402 -11.429 1.00 0.00 C ATOM 594 O ILE B 32 82.850 9.354 -12.578 1.00 0.00 O ATOM 595 CB ILE B 32 82.114 11.082 -9.971 1.00 0.00 C ATOM 596 CG1 ILE B 32 81.757 11.811 -11.270 1.00 0.00 C ATOM 597 CG2 ILE B 32 83.381 11.684 -9.382 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.274 13.227 -10.942 1.00 0.00 C ATOM 0 H ILE B 32 82.935 9.530 -8.216 1.00 0.00 H new ATOM 0 HA ILE B 32 81.388 9.126 -10.503 1.00 0.00 H new ATOM 0 HB ILE B 32 81.290 11.194 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE B 32 82.626 11.854 -11.926 1.00 0.00 H new ATOM 0 HG13 ILE B 32 80.980 11.265 -11.805 1.00 0.00 H new ATOM 0 HG21 ILE B 32 83.224 12.745 -9.188 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.625 11.177 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE B 32 84.203 11.562 -10.087 1.00 0.00 H new ATOM 0 HD11 ILE B 32 81.019 13.748 -11.865 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.394 13.172 -10.302 1.00 0.00 H new ATOM 0 HD13 ILE B 32 82.065 13.771 -10.425 1.00 0.00 H new ATOM 610 N ILE B 33 84.554 9.264 -11.151 1.00 0.00 N ATOM 611 CA ILE B 33 85.558 9.038 -12.190 1.00 0.00 C ATOM 612 C ILE B 33 85.463 7.612 -12.738 1.00 0.00 C ATOM 613 O ILE B 33 85.881 7.327 -13.860 1.00 0.00 O ATOM 614 CB ILE B 33 86.961 9.282 -11.628 1.00 0.00 C ATOM 615 CG1 ILE B 33 86.983 10.619 -10.882 1.00 0.00 C ATOM 616 CG2 ILE B 33 87.970 9.329 -12.779 1.00 0.00 C ATOM 617 CD1 ILE B 33 88.390 10.891 -10.347 1.00 0.00 C ATOM 0 H ILE B 33 84.933 9.303 -10.205 1.00 0.00 H new ATOM 0 HA ILE B 33 85.368 9.737 -13.004 1.00 0.00 H new ATOM 0 HB ILE B 33 87.224 8.475 -10.944 1.00 0.00 H new ATOM 0 HG12 ILE B 33 86.676 11.424 -11.550 1.00 0.00 H new ATOM 0 HG13 ILE B 33 86.269 10.598 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE B 33 88.969 9.503 -12.380 1.00 0.00 H new ATOM 0 HG22 ILE B 33 87.954 8.381 -13.316 1.00 0.00 H new ATOM 0 HG23 ILE B 33 87.706 10.137 -13.461 1.00 0.00 H new ATOM 0 HD11 ILE B 33 88.400 11.843 -9.817 1.00 0.00 H new ATOM 0 HD12 ILE B 33 88.680 10.093 -9.664 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.094 10.931 -11.178 1.00 0.00 H new ATOM 629 N GLY B 34 84.938 6.737 -11.925 1.00 0.00 N ATOM 630 CA GLY B 34 84.807 5.329 -12.297 1.00 0.00 C ATOM 631 C GLY B 34 84.059 5.146 -13.618 1.00 0.00 C ATOM 632 O GLY B 34 84.543 4.466 -14.523 1.00 0.00 O ATOM 0 H GLY B 34 84.588 6.962 -10.994 1.00 0.00 H new ATOM 0 HA2 GLY B 34 85.798 4.883 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.281 4.794 -11.507 1.00 0.00 H new ATOM 636 N ILE B 35 82.902 5.739 -13.724 1.00 0.00 N ATOM 637 CA ILE B 35 82.105 5.626 -14.944 1.00 0.00 C ATOM 638 C ILE B 35 82.739 6.418 -16.094 1.00 0.00 C ATOM 639 O ILE B 35 82.699 5.989 -17.247 1.00 0.00 O ATOM 640 CB ILE B 35 80.664 6.089 -14.665 1.00 0.00 C ATOM 641 CG1 ILE B 35 79.944 6.434 -15.980 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.689 7.309 -13.749 1.00 0.00 C ATOM 643 CD1 ILE B 35 78.432 6.467 -15.747 1.00 0.00 C ATOM 0 H ILE B 35 82.479 6.307 -12.990 1.00 0.00 H new ATOM 0 HA ILE B 35 82.079 4.582 -15.255 1.00 0.00 H new ATOM 0 HB ILE B 35 80.121 5.279 -14.177 1.00 0.00 H new ATOM 0 HG12 ILE B 35 80.286 7.401 -16.350 1.00 0.00 H new ATOM 0 HG13 ILE B 35 80.188 5.696 -16.744 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.668 7.637 -13.552 1.00 0.00 H new ATOM 0 HG22 ILE B 35 81.175 7.048 -12.809 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.242 8.115 -14.231 1.00 0.00 H new ATOM 0 HD11 ILE B 35 77.925 6.712 -16.681 1.00 0.00 H new ATOM 0 HD12 ILE B 35 78.096 5.491 -15.397 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.196 7.222 -14.997 1.00 0.00 H new ATOM 655 N LEU B 36 83.310 7.550 -15.780 1.00 0.00 N ATOM 656 CA LEU B 36 83.947 8.386 -16.798 1.00 0.00 C ATOM 657 C LEU B 36 84.937 7.559 -17.620 1.00 0.00 C ATOM 658 O LEU B 36 84.925 7.582 -18.850 1.00 0.00 O ATOM 659 CB LEU B 36 84.692 9.539 -16.111 1.00 0.00 C ATOM 660 CG LEU B 36 85.104 10.609 -17.144 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.947 11.590 -17.375 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.321 11.388 -16.625 1.00 0.00 C ATOM 0 H LEU B 36 83.354 7.926 -14.833 1.00 0.00 H new ATOM 0 HA LEU B 36 83.181 8.783 -17.464 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.055 9.988 -15.348 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.577 9.156 -15.603 1.00 0.00 H new ATOM 0 HG LEU B 36 85.354 10.113 -18.082 1.00 0.00 H new ATOM 0 HD11 LEU B 36 84.247 12.341 -18.105 1.00 0.00 H new ATOM 0 HD12 LEU B 36 83.079 11.047 -17.749 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.692 12.079 -16.435 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.609 12.143 -17.357 1.00 0.00 H new ATOM 0 HD22 LEU B 36 86.067 11.874 -15.683 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.152 10.701 -16.466 1.00 0.00 H new ATOM 674 N HIS B 37 85.782 6.860 -16.925 1.00 0.00 N ATOM 675 CA HIS B 37 86.789 6.033 -17.583 1.00 0.00 C ATOM 676 C HIS B 37 86.137 4.855 -18.312 1.00 0.00 C ATOM 677 O HIS B 37 86.668 4.360 -19.306 1.00 0.00 O ATOM 678 CB HIS B 37 87.847 5.546 -16.578 1.00 0.00 C ATOM 679 CG HIS B 37 87.346 4.381 -15.762 1.00 0.00 C ATOM 680 ND1 HIS B 37 86.774 3.253 -16.332 1.00 0.00 N ATOM 681 CD2 HIS B 37 87.359 4.148 -14.409 1.00 0.00 C ATOM 682 CE1 HIS B 37 86.474 2.402 -15.334 1.00 0.00 C ATOM 683 NE2 HIS B 37 86.811 2.898 -14.142 1.00 0.00 N ATOM 0 H HIS B 37 85.807 6.835 -15.906 1.00 0.00 H new ATOM 0 HA HIS B 37 87.296 6.648 -18.327 1.00 0.00 H new ATOM 0 HB2 HIS B 37 88.750 5.254 -17.113 1.00 0.00 H new ATOM 0 HB3 HIS B 37 88.122 6.365 -15.913 1.00 0.00 H new ATOM 0 HD2 HIS B 37 87.738 4.832 -13.664 1.00 0.00 H new ATOM 0 HE1 HIS B 37 86.016 1.435 -15.480 1.00 0.00 H new ATOM 0 HE2 HIS B 37 86.692 2.455 -13.231 1.00 0.00 H new ATOM 692 N PHE B 38 85.015 4.412 -17.811 1.00 0.00 N ATOM 693 CA PHE B 38 84.306 3.280 -18.409 1.00 0.00 C ATOM 694 C PHE B 38 83.722 3.612 -19.787 1.00 0.00 C ATOM 695 O PHE B 38 83.776 2.788 -20.697 1.00 0.00 O ATOM 696 CB PHE B 38 83.176 2.818 -17.484 1.00 0.00 C ATOM 697 CG PHE B 38 82.586 1.531 -18.018 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.664 1.570 -19.073 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.964 0.300 -17.465 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.123 0.380 -19.575 1.00 0.00 C ATOM 701 CE2 PHE B 38 82.420 -0.890 -17.967 1.00 0.00 C ATOM 702 CZ PHE B 38 81.502 -0.849 -19.022 1.00 0.00 C ATOM 0 H PHE B 38 84.560 4.809 -16.989 1.00 0.00 H new ATOM 0 HA PHE B 38 85.039 2.484 -18.540 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.557 2.665 -16.474 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.405 3.586 -17.421 1.00 0.00 H new ATOM 0 HD1 PHE B 38 81.371 2.518 -19.499 1.00 0.00 H new ATOM 0 HD2 PHE B 38 83.674 0.268 -16.652 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.413 0.410 -20.389 1.00 0.00 H new ATOM 0 HE2 PHE B 38 82.709 -1.839 -17.540 1.00 0.00 H new ATOM 0 HZ PHE B 38 81.085 -1.767 -19.410 1.00 0.00 H new ATOM 712 N ILE B 39 83.141 4.774 -19.936 1.00 0.00 N ATOM 713 CA ILE B 39 82.529 5.139 -21.217 1.00 0.00 C ATOM 714 C ILE B 39 83.572 5.328 -22.317 1.00 0.00 C ATOM 715 O ILE B 39 83.352 4.925 -23.455 1.00 0.00 O ATOM 716 CB ILE B 39 81.689 6.412 -21.068 1.00 0.00 C ATOM 717 CG1 ILE B 39 82.501 7.497 -20.360 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.438 6.103 -20.244 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.723 8.813 -20.385 1.00 0.00 C ATOM 0 H ILE B 39 83.071 5.484 -19.207 1.00 0.00 H new ATOM 0 HA ILE B 39 81.882 4.312 -21.511 1.00 0.00 H new ATOM 0 HB ILE B 39 81.403 6.766 -22.058 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.704 7.201 -19.331 1.00 0.00 H new ATOM 0 HG13 ILE B 39 83.466 7.623 -20.851 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.840 7.008 -20.137 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.850 5.337 -20.749 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.732 5.744 -19.258 1.00 0.00 H new ATOM 0 HD11 ILE B 39 82.301 9.587 -19.880 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.543 9.110 -21.418 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.769 8.682 -19.874 1.00 0.00 H new ATOM 731 N ALA B 40 84.683 5.921 -21.993 1.00 0.00 N ATOM 732 CA ALA B 40 85.732 6.128 -22.987 1.00 0.00 C ATOM 733 C ALA B 40 86.392 4.798 -23.346 1.00 0.00 C ATOM 734 O ALA B 40 86.913 4.623 -24.444 1.00 0.00 O ATOM 735 CB ALA B 40 86.788 7.094 -22.446 1.00 0.00 C ATOM 0 H ALA B 40 84.899 6.273 -21.060 1.00 0.00 H new ATOM 0 HA ALA B 40 85.280 6.555 -23.882 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.565 7.241 -23.196 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.321 8.052 -22.215 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.231 6.679 -21.541 1.00 0.00 H new ATOM 741 N TRP B 41 86.384 3.898 -22.403 1.00 0.00 N ATOM 742 CA TRP B 41 87.000 2.587 -22.564 1.00 0.00 C ATOM 743 C TRP B 41 86.545 1.875 -23.835 1.00 0.00 C ATOM 744 O TRP B 41 87.370 1.393 -24.611 1.00 0.00 O ATOM 745 CB TRP B 41 86.612 1.740 -21.353 1.00 0.00 C ATOM 746 CG TRP B 41 87.398 0.474 -21.311 1.00 0.00 C ATOM 747 CD1 TRP B 41 87.333 -0.524 -22.226 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.341 0.033 -20.294 1.00 0.00 C ATOM 749 NE1 TRP B 41 88.194 -1.532 -21.846 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.833 -1.237 -20.660 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.818 0.610 -19.101 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.760 -1.911 -19.877 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.753 -0.074 -18.307 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.222 -1.337 -18.697 1.00 0.00 C ATOM 0 H TRP B 41 85.950 4.043 -21.491 1.00 0.00 H new ATOM 0 HA TRP B 41 88.079 2.721 -22.642 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.782 2.308 -20.438 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.547 1.510 -21.392 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.709 -0.529 -23.108 1.00 0.00 H new ATOM 0 HE1 TRP B 41 88.340 -2.390 -22.377 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.463 1.583 -18.795 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 90.123 -2.881 -20.184 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.112 0.374 -17.392 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.939 -1.862 -18.083 1.00 0.00 H new ATOM 765 N THR B 42 85.260 1.776 -24.026 1.00 0.00 N ATOM 766 CA THR B 42 84.733 1.076 -25.194 1.00 0.00 C ATOM 767 C THR B 42 85.387 1.568 -26.485 1.00 0.00 C ATOM 768 O THR B 42 85.580 0.794 -27.421 1.00 0.00 O ATOM 769 CB THR B 42 83.214 1.263 -25.286 1.00 0.00 C ATOM 770 OG1 THR B 42 82.805 1.131 -26.640 1.00 0.00 O ATOM 771 CG2 THR B 42 82.838 2.647 -24.772 1.00 0.00 C ATOM 0 H THR B 42 84.552 2.163 -23.402 1.00 0.00 H new ATOM 0 HA THR B 42 84.964 0.018 -25.074 1.00 0.00 H new ATOM 0 HB THR B 42 82.716 0.506 -24.680 1.00 0.00 H new ATOM 0 HG1 THR B 42 81.834 1.249 -26.701 1.00 0.00 H new ATOM 0 HG21 THR B 42 81.758 2.779 -24.838 1.00 0.00 H new ATOM 0 HG22 THR B 42 83.153 2.747 -23.733 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.334 3.407 -25.376 1.00 0.00 H new ATOM 779 N ILE B 43 85.681 2.837 -26.553 1.00 0.00 N ATOM 780 CA ILE B 43 86.264 3.413 -27.764 1.00 0.00 C ATOM 781 C ILE B 43 87.446 2.579 -28.280 1.00 0.00 C ATOM 782 O ILE B 43 87.624 2.441 -29.489 1.00 0.00 O ATOM 783 CB ILE B 43 86.692 4.877 -27.482 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.576 5.725 -28.760 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.139 4.940 -26.969 1.00 0.00 C ATOM 786 CD1 ILE B 43 86.852 7.193 -28.427 1.00 0.00 C ATOM 0 H ILE B 43 85.532 3.502 -25.794 1.00 0.00 H new ATOM 0 HA ILE B 43 85.509 3.405 -28.550 1.00 0.00 H new ATOM 0 HB ILE B 43 86.026 5.274 -26.716 1.00 0.00 H new ATOM 0 HG12 ILE B 43 87.285 5.372 -29.509 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.580 5.620 -29.189 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.413 5.978 -26.779 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.223 4.368 -26.045 1.00 0.00 H new ATOM 0 HG23 ILE B 43 88.809 4.519 -27.718 1.00 0.00 H new ATOM 0 HD11 ILE B 43 86.770 7.793 -29.333 1.00 0.00 H new ATOM 0 HD12 ILE B 43 86.126 7.542 -27.693 1.00 0.00 H new ATOM 0 HD13 ILE B 43 87.857 7.290 -28.017 1.00 0.00 H new ATOM 798 N GLY B 44 88.227 2.031 -27.389 1.00 0.00 N ATOM 799 CA GLY B 44 89.370 1.212 -27.800 1.00 0.00 C ATOM 800 C GLY B 44 88.894 0.022 -28.628 1.00 0.00 C ATOM 801 O GLY B 44 89.490 -0.328 -29.646 1.00 0.00 O ATOM 0 H GLY B 44 88.108 2.126 -26.380 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.068 1.814 -28.382 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.910 0.860 -26.921 1.00 0.00 H new ATOM 805 N HIS B 45 87.881 -0.625 -28.129 1.00 0.00 N ATOM 806 CA HIS B 45 87.342 -1.839 -28.727 1.00 0.00 C ATOM 807 C HIS B 45 87.266 -1.780 -30.248 1.00 0.00 C ATOM 808 O HIS B 45 87.277 -2.827 -30.891 1.00 0.00 O ATOM 809 CB HIS B 45 85.955 -2.119 -28.156 1.00 0.00 C ATOM 810 CG HIS B 45 85.426 -3.401 -28.735 1.00 0.00 C ATOM 811 ND1 HIS B 45 84.748 -3.447 -29.944 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.472 -4.696 -28.282 1.00 0.00 C ATOM 813 CE1 HIS B 45 84.417 -4.731 -30.174 1.00 0.00 C ATOM 814 NE2 HIS B 45 84.834 -5.534 -29.192 1.00 0.00 N ATOM 0 H HIS B 45 87.391 -0.331 -27.284 1.00 0.00 H new ATOM 0 HA HIS B 45 88.032 -2.645 -28.477 1.00 0.00 H new ATOM 0 HB2 HIS B 45 86.005 -2.191 -27.070 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.280 -1.296 -28.390 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.933 -5.016 -27.359 1.00 0.00 H new ATOM 0 HE1 HIS B 45 83.879 -5.071 -31.047 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.711 -6.544 -29.123 1.00 0.00 H new ATOM 823 N LEU B 46 87.219 -0.613 -30.836 1.00 0.00 N ATOM 824 CA LEU B 46 87.186 -0.559 -32.303 1.00 0.00 C ATOM 825 C LEU B 46 88.315 -1.475 -32.831 1.00 0.00 C ATOM 826 O LEU B 46 88.106 -2.332 -33.689 1.00 0.00 O ATOM 827 CB LEU B 46 87.324 0.909 -32.807 1.00 0.00 C ATOM 828 CG LEU B 46 88.775 1.448 -32.676 1.00 0.00 C ATOM 829 CD1 LEU B 46 89.624 1.068 -33.919 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.748 2.985 -32.530 1.00 0.00 C ATOM 0 H LEU B 46 87.203 0.288 -30.359 1.00 0.00 H new ATOM 0 HA LEU B 46 86.229 -0.915 -32.683 1.00 0.00 H new ATOM 0 HB2 LEU B 46 87.013 0.963 -33.850 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.649 1.550 -32.240 1.00 0.00 H new ATOM 0 HG LEU B 46 89.227 0.997 -31.793 1.00 0.00 H new ATOM 0 HD11 LEU B 46 90.635 1.457 -33.802 1.00 0.00 H new ATOM 0 HD12 LEU B 46 89.662 -0.017 -34.016 1.00 0.00 H new ATOM 0 HD13 LEU B 46 89.172 1.497 -34.813 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.767 3.360 -32.438 1.00 0.00 H new ATOM 0 HD22 LEU B 46 88.277 3.426 -33.409 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.180 3.256 -31.640 1.00 0.00 H new ATOM 842 N ASN B 47 89.476 -1.255 -32.293 1.00 0.00 N ATOM 843 CA ASN B 47 90.674 -2.012 -32.657 1.00 0.00 C ATOM 844 C ASN B 47 90.404 -3.527 -32.639 1.00 0.00 C ATOM 845 O ASN B 47 90.780 -4.239 -33.571 1.00 0.00 O ATOM 846 CB ASN B 47 91.805 -1.688 -31.680 1.00 0.00 C ATOM 847 CG ASN B 47 92.093 -0.191 -31.689 1.00 0.00 C ATOM 848 OD1 ASN B 47 92.726 0.314 -32.616 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.660 0.554 -30.709 1.00 0.00 N ATOM 0 H ASN B 47 89.638 -0.543 -31.581 1.00 0.00 H new ATOM 0 HA ASN B 47 90.960 -1.725 -33.669 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.530 -2.007 -30.675 1.00 0.00 H new ATOM 0 HB3 ASN B 47 92.703 -2.241 -31.955 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.846 1.557 -30.710 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.136 0.133 -29.942 1.00 0.00 H new ATOM 856 N GLN B 48 89.775 -4.007 -31.594 1.00 0.00 N ATOM 857 CA GLN B 48 89.478 -5.439 -31.468 1.00 0.00 C ATOM 858 C GLN B 48 88.982 -6.046 -32.786 1.00 0.00 C ATOM 859 O GLN B 48 89.781 -6.388 -33.658 1.00 0.00 O ATOM 860 CB GLN B 48 88.418 -5.667 -30.384 1.00 0.00 C ATOM 861 CG GLN B 48 88.936 -5.179 -29.027 1.00 0.00 C ATOM 862 CD GLN B 48 89.845 -6.223 -28.387 1.00 0.00 C ATOM 863 OE1 GLN B 48 90.847 -5.869 -27.768 1.00 0.00 O ATOM 864 NE2 GLN B 48 89.552 -7.493 -28.492 1.00 0.00 N ATOM 0 H GLN B 48 89.453 -3.438 -30.811 1.00 0.00 H new ATOM 0 HA GLN B 48 90.410 -5.933 -31.195 1.00 0.00 H new ATOM 0 HB2 GLN B 48 87.502 -5.137 -30.644 1.00 0.00 H new ATOM 0 HB3 GLN B 48 88.168 -6.726 -30.327 1.00 0.00 H new ATOM 0 HG2 GLN B 48 89.482 -4.245 -29.156 1.00 0.00 H new ATOM 0 HG3 GLN B 48 88.095 -4.968 -28.366 1.00 0.00 H new ATOM 0 HE21 GLN B 48 88.720 -7.784 -29.006 1.00 0.00 H new ATOM 0 HE22 GLN B 48 90.155 -8.193 -28.060 1.00 0.00 H new ATOM 873 N ILE B 49 87.683 -6.205 -32.898 1.00 0.00 N ATOM 874 CA ILE B 49 87.070 -6.809 -34.086 1.00 0.00 C ATOM 875 C ILE B 49 87.827 -6.459 -35.367 1.00 0.00 C ATOM 876 O ILE B 49 88.332 -7.349 -36.051 1.00 0.00 O ATOM 877 CB ILE B 49 85.605 -6.372 -34.201 1.00 0.00 C ATOM 878 CG1 ILE B 49 84.984 -7.007 -35.451 1.00 0.00 C ATOM 879 CG2 ILE B 49 85.505 -4.840 -34.288 1.00 0.00 C ATOM 880 CD1 ILE B 49 83.466 -6.827 -35.416 1.00 0.00 C ATOM 0 H ILE B 49 87.015 -5.925 -32.180 1.00 0.00 H new ATOM 0 HA ILE B 49 87.120 -7.891 -33.965 1.00 0.00 H new ATOM 0 HB ILE B 49 85.064 -6.703 -33.314 1.00 0.00 H new ATOM 0 HG12 ILE B 49 85.395 -6.545 -36.349 1.00 0.00 H new ATOM 0 HG13 ILE B 49 85.234 -8.067 -35.495 1.00 0.00 H new ATOM 0 HG21 ILE B 49 84.458 -4.548 -34.369 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.937 -4.396 -33.391 1.00 0.00 H new ATOM 0 HG23 ILE B 49 86.049 -4.489 -35.165 1.00 0.00 H new ATOM 0 HD11 ILE B 49 83.025 -7.279 -36.305 1.00 0.00 H new ATOM 0 HD12 ILE B 49 83.063 -7.310 -34.526 1.00 0.00 H new ATOM 0 HD13 ILE B 49 83.226 -5.764 -35.392 1.00 0.00 H new ATOM 892 N LYS B 50 87.896 -5.193 -35.693 1.00 0.00 N ATOM 893 CA LYS B 50 88.594 -4.758 -36.906 1.00 0.00 C ATOM 894 C LYS B 50 89.886 -5.549 -37.102 1.00 0.00 C ATOM 895 O LYS B 50 90.140 -6.084 -38.181 1.00 0.00 O ATOM 896 CB LYS B 50 88.914 -3.260 -36.814 1.00 0.00 C ATOM 897 CG LYS B 50 87.633 -2.429 -37.039 1.00 0.00 C ATOM 898 CD LYS B 50 87.388 -2.208 -38.551 1.00 0.00 C ATOM 899 CE LYS B 50 88.035 -0.895 -39.010 1.00 0.00 C ATOM 900 NZ LYS B 50 89.509 -0.963 -38.803 1.00 0.00 N ATOM 0 H LYS B 50 87.483 -4.437 -35.146 1.00 0.00 H new ATOM 0 HA LYS B 50 87.943 -4.940 -37.761 1.00 0.00 H new ATOM 0 HB2 LYS B 50 89.339 -3.030 -35.837 1.00 0.00 H new ATOM 0 HB3 LYS B 50 89.665 -2.994 -37.558 1.00 0.00 H new ATOM 0 HG2 LYS B 50 86.778 -2.941 -36.597 1.00 0.00 H new ATOM 0 HG3 LYS B 50 87.724 -1.467 -36.535 1.00 0.00 H new ATOM 0 HD2 LYS B 50 87.800 -3.042 -39.119 1.00 0.00 H new ATOM 0 HD3 LYS B 50 86.317 -2.183 -38.753 1.00 0.00 H new ATOM 0 HE2 LYS B 50 87.814 -0.718 -40.062 1.00 0.00 H new ATOM 0 HE3 LYS B 50 87.618 -0.058 -38.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 89.961 -0.141 -39.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 89.717 -0.959 -37.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 89.879 -1.837 -39.229 1.00 0.00 H new ATOM 914 N ARG B 51 90.677 -5.626 -36.067 1.00 0.00 N ATOM 915 CA ARG B 51 91.931 -6.365 -36.133 1.00 0.00 C ATOM 916 C ARG B 51 91.662 -7.866 -36.205 1.00 0.00 C ATOM 917 O ARG B 51 92.343 -8.595 -36.927 1.00 0.00 O ATOM 918 CB ARG B 51 92.785 -6.055 -34.903 1.00 0.00 C ATOM 919 CG ARG B 51 93.348 -4.637 -35.017 1.00 0.00 C ATOM 920 CD ARG B 51 94.140 -4.297 -33.754 1.00 0.00 C ATOM 921 NE ARG B 51 94.724 -2.966 -33.869 1.00 0.00 N ATOM 922 CZ ARG B 51 95.750 -2.745 -34.646 1.00 0.00 C ATOM 923 NH1 ARG B 51 96.268 -3.724 -35.335 1.00 0.00 N ATOM 924 NH2 ARG B 51 96.256 -1.545 -34.732 1.00 0.00 N ATOM 0 H ARG B 51 90.486 -5.191 -35.165 1.00 0.00 H new ATOM 0 HA ARG B 51 92.467 -6.059 -37.032 1.00 0.00 H new ATOM 0 HB2 ARG B 51 92.185 -6.148 -33.998 1.00 0.00 H new ATOM 0 HB3 ARG B 51 93.599 -6.775 -34.821 1.00 0.00 H new ATOM 0 HG2 ARG B 51 93.991 -4.560 -35.894 1.00 0.00 H new ATOM 0 HG3 ARG B 51 92.536 -3.922 -35.153 1.00 0.00 H new ATOM 0 HD2 ARG B 51 93.486 -4.341 -32.883 1.00 0.00 H new ATOM 0 HD3 ARG B 51 94.927 -5.035 -33.600 1.00 0.00 H new ATOM 0 HE ARG B 51 94.325 -2.195 -33.334 1.00 0.00 H new ATOM 0 HH11 ARG B 51 95.872 -4.661 -35.267 1.00 0.00 H new ATOM 0 HH12 ARG B 51 97.069 -3.552 -35.942 1.00 0.00 H new ATOM 0 HH21 ARG B 51 95.850 -0.780 -34.192 1.00 0.00 H new ATOM 0 HH22 ARG B 51 97.057 -1.372 -35.339 1.00 0.00 H new ATOM 938 N GLY B 52 90.683 -8.311 -35.465 1.00 0.00 N ATOM 939 CA GLY B 52 90.331 -9.726 -35.449 1.00 0.00 C ATOM 940 C GLY B 52 89.106 -9.973 -34.576 1.00 0.00 C ATOM 0 H GLY B 52 90.108 -7.723 -34.861 1.00 0.00 H new ATOM 0 HA2 GLY B 52 90.133 -10.067 -36.465 1.00 0.00 H new ATOM 0 HA3 GLY B 52 91.172 -10.310 -35.075 1.00 0.00 H new ATOM 945 N SER C 23 94.787 10.205 9.986 1.00 0.00 N ATOM 946 CA SER C 23 93.762 11.025 9.280 1.00 0.00 C ATOM 947 C SER C 23 93.328 10.306 8.007 1.00 0.00 C ATOM 948 O SER C 23 93.201 10.921 6.949 1.00 0.00 O ATOM 949 CB SER C 23 94.358 12.390 8.932 1.00 0.00 C ATOM 950 OG SER C 23 93.360 13.196 8.322 1.00 0.00 O ATOM 0 HA SER C 23 92.894 11.166 9.924 1.00 0.00 H new ATOM 0 HB2 SER C 23 94.734 12.876 9.832 1.00 0.00 H new ATOM 0 HB3 SER C 23 95.206 12.268 8.258 1.00 0.00 H new ATOM 0 HG SER C 23 92.982 12.722 7.552 1.00 0.00 H new ATOM 955 N ASP C 24 93.101 9.021 8.119 1.00 0.00 N ATOM 956 CA ASP C 24 92.674 8.218 6.981 1.00 0.00 C ATOM 957 C ASP C 24 93.443 8.605 5.725 1.00 0.00 C ATOM 958 O ASP C 24 92.848 8.925 4.696 1.00 0.00 O ATOM 959 CB ASP C 24 91.173 8.402 6.744 1.00 0.00 C ATOM 960 CG ASP C 24 90.858 9.870 6.473 1.00 0.00 C ATOM 961 OD1 ASP C 24 90.899 10.261 5.319 1.00 0.00 O ATOM 962 OD2 ASP C 24 90.582 10.580 7.426 1.00 0.00 O ATOM 0 H ASP C 24 93.203 8.498 8.989 1.00 0.00 H new ATOM 0 HA ASP C 24 92.880 7.171 7.205 1.00 0.00 H new ATOM 0 HB2 ASP C 24 90.853 7.792 5.899 1.00 0.00 H new ATOM 0 HB3 ASP C 24 90.615 8.058 7.615 1.00 0.00 H new ATOM 967 N PRO C 25 94.748 8.574 5.787 1.00 0.00 N ATOM 968 CA PRO C 25 95.602 8.923 4.620 1.00 0.00 C ATOM 969 C PRO C 25 95.394 7.922 3.489 1.00 0.00 C ATOM 970 O PRO C 25 95.743 8.178 2.337 1.00 0.00 O ATOM 971 CB PRO C 25 97.038 8.873 5.177 1.00 0.00 C ATOM 972 CG PRO C 25 96.956 8.006 6.396 1.00 0.00 C ATOM 973 CD PRO C 25 95.549 8.201 6.965 1.00 0.00 C ATOM 0 HA PRO C 25 95.368 9.898 4.193 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.730 8.458 4.444 1.00 0.00 H new ATOM 0 HB3 PRO C 25 97.399 9.871 5.427 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.132 6.961 6.143 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.714 8.289 7.127 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.175 7.290 7.432 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.529 8.980 7.727 1.00 0.00 H new ATOM 981 N LEU C 26 94.855 6.787 3.834 1.00 0.00 N ATOM 982 CA LEU C 26 94.621 5.733 2.847 1.00 0.00 C ATOM 983 C LEU C 26 93.626 6.182 1.772 1.00 0.00 C ATOM 984 O LEU C 26 93.822 5.912 0.586 1.00 0.00 O ATOM 985 CB LEU C 26 94.078 4.477 3.551 1.00 0.00 C ATOM 986 CG LEU C 26 95.223 3.711 4.220 1.00 0.00 C ATOM 987 CD1 LEU C 26 95.994 4.649 5.151 1.00 0.00 C ATOM 988 CD2 LEU C 26 94.645 2.549 5.033 1.00 0.00 C ATOM 0 H LEU C 26 94.565 6.554 4.784 1.00 0.00 H new ATOM 0 HA LEU C 26 95.571 5.510 2.361 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.336 4.761 4.297 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.574 3.835 2.828 1.00 0.00 H new ATOM 0 HG LEU C 26 95.898 3.326 3.456 1.00 0.00 H new ATOM 0 HD11 LEU C 26 96.808 4.102 5.626 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.402 5.479 4.574 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.321 5.035 5.917 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.456 2.000 5.511 1.00 0.00 H new ATOM 0 HD22 LEU C 26 93.971 2.939 5.796 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.095 1.880 4.371 1.00 0.00 H new ATOM 1000 N VAL C 27 92.569 6.827 2.183 1.00 0.00 N ATOM 1001 CA VAL C 27 91.537 7.274 1.248 1.00 0.00 C ATOM 1002 C VAL C 27 92.048 8.331 0.269 1.00 0.00 C ATOM 1003 O VAL C 27 91.773 8.258 -0.929 1.00 0.00 O ATOM 1004 CB VAL C 27 90.354 7.864 2.026 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.251 8.292 1.051 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.796 6.818 2.991 1.00 0.00 C ATOM 0 H VAL C 27 92.387 7.062 3.159 1.00 0.00 H new ATOM 0 HA VAL C 27 91.232 6.399 0.673 1.00 0.00 H new ATOM 0 HB VAL C 27 90.698 8.732 2.589 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.414 8.710 1.610 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.642 9.045 0.366 1.00 0.00 H new ATOM 0 HG13 VAL C 27 88.912 7.426 0.483 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.956 7.242 3.541 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.459 5.947 2.429 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.575 6.518 3.692 1.00 0.00 H new ATOM 1016 N VAL C 28 92.760 9.302 0.769 1.00 0.00 N ATOM 1017 CA VAL C 28 93.273 10.371 -0.088 1.00 0.00 C ATOM 1018 C VAL C 28 94.414 9.904 -0.982 1.00 0.00 C ATOM 1019 O VAL C 28 94.480 10.278 -2.149 1.00 0.00 O ATOM 1020 CB VAL C 28 93.736 11.572 0.749 1.00 0.00 C ATOM 1021 CG1 VAL C 28 94.993 11.204 1.534 1.00 0.00 C ATOM 1022 CG2 VAL C 28 94.043 12.756 -0.179 1.00 0.00 C ATOM 0 H VAL C 28 93.005 9.389 1.755 1.00 0.00 H new ATOM 0 HA VAL C 28 92.446 10.672 -0.731 1.00 0.00 H new ATOM 0 HB VAL C 28 92.945 11.848 1.446 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.316 12.060 2.126 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.776 10.366 2.197 1.00 0.00 H new ATOM 0 HG13 VAL C 28 95.785 10.922 0.841 1.00 0.00 H new ATOM 0 HG21 VAL C 28 94.372 13.608 0.415 1.00 0.00 H new ATOM 0 HG22 VAL C 28 94.831 12.476 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL C 28 93.145 13.026 -0.734 1.00 0.00 H new ATOM 1032 N ALA C 29 95.313 9.131 -0.440 1.00 0.00 N ATOM 1033 CA ALA C 29 96.466 8.664 -1.198 1.00 0.00 C ATOM 1034 C ALA C 29 96.106 7.637 -2.266 1.00 0.00 C ATOM 1035 O ALA C 29 96.814 7.516 -3.266 1.00 0.00 O ATOM 1036 CB ALA C 29 97.490 8.050 -0.243 1.00 0.00 C ATOM 0 H ALA C 29 95.279 8.804 0.526 1.00 0.00 H new ATOM 0 HA ALA C 29 96.878 9.533 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.353 7.701 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.810 8.801 0.479 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.038 7.210 0.284 1.00 0.00 H new ATOM 1042 N ALA C 30 95.053 6.892 -2.066 1.00 0.00 N ATOM 1043 CA ALA C 30 94.688 5.883 -3.038 1.00 0.00 C ATOM 1044 C ALA C 30 94.135 6.514 -4.313 1.00 0.00 C ATOM 1045 O ALA C 30 94.484 6.093 -5.416 1.00 0.00 O ATOM 1046 CB ALA C 30 93.686 4.923 -2.416 1.00 0.00 C ATOM 0 H ALA C 30 94.438 6.957 -1.255 1.00 0.00 H new ATOM 0 HA ALA C 30 95.581 5.327 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.410 4.162 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.133 4.444 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA C 30 92.796 5.473 -2.111 1.00 0.00 H new ATOM 1052 N SER C 31 93.288 7.505 -4.174 1.00 0.00 N ATOM 1053 CA SER C 31 92.706 8.169 -5.337 1.00 0.00 C ATOM 1054 C SER C 31 93.743 9.010 -6.082 1.00 0.00 C ATOM 1055 O SER C 31 93.630 9.216 -7.291 1.00 0.00 O ATOM 1056 CB SER C 31 91.551 9.065 -4.893 1.00 0.00 C ATOM 1057 OG SER C 31 90.914 9.615 -6.038 1.00 0.00 O ATOM 0 H SER C 31 92.981 7.875 -3.275 1.00 0.00 H new ATOM 0 HA SER C 31 92.343 7.397 -6.016 1.00 0.00 H new ATOM 0 HB2 SER C 31 90.835 8.490 -4.306 1.00 0.00 H new ATOM 0 HB3 SER C 31 91.922 9.864 -4.251 1.00 0.00 H new ATOM 0 HG SER C 31 90.172 10.189 -5.755 1.00 0.00 H new ATOM 1063 N ILE C 32 94.720 9.503 -5.370 1.00 0.00 N ATOM 1064 CA ILE C 32 95.748 10.341 -5.981 1.00 0.00 C ATOM 1065 C ILE C 32 96.282 9.682 -7.254 1.00 0.00 C ATOM 1066 O ILE C 32 96.457 10.346 -8.273 1.00 0.00 O ATOM 1067 CB ILE C 32 96.887 10.583 -4.960 1.00 0.00 C ATOM 1068 CG1 ILE C 32 96.486 11.715 -3.984 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.200 10.947 -5.672 1.00 0.00 C ATOM 1070 CD1 ILE C 32 96.788 13.101 -4.582 1.00 0.00 C ATOM 0 H ILE C 32 94.837 9.347 -4.369 1.00 0.00 H new ATOM 0 HA ILE C 32 95.317 11.303 -6.259 1.00 0.00 H new ATOM 0 HB ILE C 32 97.047 9.661 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE C 32 95.423 11.640 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.026 11.596 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.982 11.111 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE C 32 98.493 10.132 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.057 11.856 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE C 32 96.495 13.875 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE C 32 97.855 13.183 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE C 32 96.228 13.227 -5.509 1.00 0.00 H new ATOM 1082 N ILE C 33 96.539 8.408 -7.201 1.00 0.00 N ATOM 1083 CA ILE C 33 97.049 7.709 -8.374 1.00 0.00 C ATOM 1084 C ILE C 33 96.018 7.738 -9.506 1.00 0.00 C ATOM 1085 O ILE C 33 96.347 8.012 -10.661 1.00 0.00 O ATOM 1086 CB ILE C 33 97.366 6.256 -8.011 1.00 0.00 C ATOM 1087 CG1 ILE C 33 98.515 6.218 -7.001 1.00 0.00 C ATOM 1088 CG2 ILE C 33 97.771 5.488 -9.271 1.00 0.00 C ATOM 1089 CD1 ILE C 33 98.627 4.813 -6.404 1.00 0.00 C ATOM 0 H ILE C 33 96.410 7.825 -6.374 1.00 0.00 H new ATOM 0 HA ILE C 33 97.957 8.210 -8.711 1.00 0.00 H new ATOM 0 HB ILE C 33 96.481 5.794 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE C 33 99.450 6.493 -7.488 1.00 0.00 H new ATOM 0 HG13 ILE C 33 98.342 6.948 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.996 4.454 -9.010 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.952 5.511 -9.990 1.00 0.00 H new ATOM 0 HG23 ILE C 33 98.654 5.952 -9.712 1.00 0.00 H new ATOM 0 HD11 ILE C 33 99.446 4.787 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.695 4.556 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.821 4.094 -7.200 1.00 0.00 H new ATOM 1101 N GLY C 34 94.806 7.404 -9.167 1.00 0.00 N ATOM 1102 CA GLY C 34 93.724 7.327 -10.146 1.00 0.00 C ATOM 1103 C GLY C 34 93.648 8.553 -11.062 1.00 0.00 C ATOM 1104 O GLY C 34 93.574 8.409 -12.281 1.00 0.00 O ATOM 0 H GLY C 34 94.526 7.176 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY C 34 93.858 6.434 -10.756 1.00 0.00 H new ATOM 0 HA3 GLY C 34 92.775 7.215 -9.621 1.00 0.00 H new ATOM 1108 N ILE C 35 93.651 9.729 -10.502 1.00 0.00 N ATOM 1109 CA ILE C 35 93.560 10.939 -11.322 1.00 0.00 C ATOM 1110 C ILE C 35 94.720 11.030 -12.315 1.00 0.00 C ATOM 1111 O ILE C 35 94.581 11.619 -13.388 1.00 0.00 O ATOM 1112 CB ILE C 35 93.542 12.186 -10.434 1.00 0.00 C ATOM 1113 CG1 ILE C 35 94.665 12.096 -9.402 1.00 0.00 C ATOM 1114 CG2 ILE C 35 92.196 12.279 -9.712 1.00 0.00 C ATOM 1115 CD1 ILE C 35 94.864 13.463 -8.745 1.00 0.00 C ATOM 0 H ILE C 35 93.714 9.892 -9.497 1.00 0.00 H new ATOM 0 HA ILE C 35 92.629 10.884 -11.887 1.00 0.00 H new ATOM 0 HB ILE C 35 93.687 13.072 -11.052 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.420 11.350 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.589 11.773 -9.881 1.00 0.00 H new ATOM 0 HG21 ILE C 35 92.183 13.167 -9.080 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.393 12.345 -10.446 1.00 0.00 H new ATOM 0 HG23 ILE C 35 92.052 11.392 -9.095 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.665 13.400 -8.009 1.00 0.00 H new ATOM 0 HD12 ILE C 35 95.128 14.197 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE C 35 93.941 13.767 -8.252 1.00 0.00 H new ATOM 1127 N LEU C 36 95.842 10.472 -11.957 1.00 0.00 N ATOM 1128 CA LEU C 36 97.022 10.511 -12.822 1.00 0.00 C ATOM 1129 C LEU C 36 96.794 9.716 -14.115 1.00 0.00 C ATOM 1130 O LEU C 36 97.399 10.014 -15.144 1.00 0.00 O ATOM 1131 CB LEU C 36 98.266 9.998 -12.032 1.00 0.00 C ATOM 1132 CG LEU C 36 98.767 8.616 -12.532 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.451 8.740 -13.922 1.00 0.00 C ATOM 1134 CD2 LEU C 36 99.769 8.039 -11.515 1.00 0.00 C ATOM 0 H LEU C 36 95.980 9.980 -11.074 1.00 0.00 H new ATOM 0 HA LEU C 36 97.208 11.542 -13.123 1.00 0.00 H new ATOM 0 HB2 LEU C 36 99.073 10.726 -12.121 1.00 0.00 H new ATOM 0 HB3 LEU C 36 98.015 9.927 -10.974 1.00 0.00 H new ATOM 0 HG LEU C 36 97.909 7.951 -12.630 1.00 0.00 H new ATOM 0 HD11 LEU C 36 99.792 7.758 -14.248 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.737 9.135 -14.645 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.304 9.415 -13.849 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.123 7.069 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.615 8.718 -11.413 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.279 7.921 -10.548 1.00 0.00 H new ATOM 1146 N HIS C 37 95.959 8.714 -14.057 1.00 0.00 N ATOM 1147 CA HIS C 37 95.704 7.890 -15.237 1.00 0.00 C ATOM 1148 C HIS C 37 94.898 8.637 -16.300 1.00 0.00 C ATOM 1149 O HIS C 37 95.024 8.350 -17.492 1.00 0.00 O ATOM 1150 CB HIS C 37 95.004 6.576 -14.845 1.00 0.00 C ATOM 1151 CG HIS C 37 93.542 6.785 -14.526 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.702 7.584 -15.291 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.752 6.270 -13.527 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.475 7.526 -14.743 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.450 6.739 -13.667 1.00 0.00 N ATOM 0 H HIS C 37 95.442 8.440 -13.221 1.00 0.00 H new ATOM 0 HA HIS C 37 96.672 7.652 -15.677 1.00 0.00 H new ATOM 0 HB2 HIS C 37 95.098 5.858 -15.660 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.505 6.143 -13.979 1.00 0.00 H new ATOM 0 HD2 HIS C 37 93.091 5.601 -12.750 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.614 8.053 -15.128 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.648 6.526 -13.074 1.00 0.00 H new ATOM 1164 N PHE C 38 94.070 9.557 -15.884 1.00 0.00 N ATOM 1165 CA PHE C 38 93.240 10.301 -16.832 1.00 0.00 C ATOM 1166 C PHE C 38 94.086 11.083 -17.837 1.00 0.00 C ATOM 1167 O PHE C 38 93.853 11.003 -19.042 1.00 0.00 O ATOM 1168 CB PHE C 38 92.317 11.270 -16.092 1.00 0.00 C ATOM 1169 CG PHE C 38 91.412 11.944 -17.096 1.00 0.00 C ATOM 1170 CD1 PHE C 38 91.845 13.098 -17.762 1.00 0.00 C ATOM 1171 CD2 PHE C 38 90.146 11.411 -17.371 1.00 0.00 C ATOM 1172 CE1 PHE C 38 91.011 13.719 -18.700 1.00 0.00 C ATOM 1173 CE2 PHE C 38 89.312 12.034 -18.308 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.745 13.186 -18.973 1.00 0.00 C ATOM 0 H PHE C 38 93.942 9.818 -14.906 1.00 0.00 H new ATOM 0 HA PHE C 38 92.645 9.569 -17.378 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.725 10.735 -15.350 1.00 0.00 H new ATOM 0 HB3 PHE C 38 92.904 12.014 -15.554 1.00 0.00 H new ATOM 0 HD1 PHE C 38 92.822 13.509 -17.552 1.00 0.00 H new ATOM 0 HD2 PHE C 38 89.813 10.519 -16.860 1.00 0.00 H new ATOM 0 HE1 PHE C 38 91.344 14.609 -19.213 1.00 0.00 H new ATOM 0 HE2 PHE C 38 88.335 11.625 -18.517 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.103 13.665 -19.697 1.00 0.00 H new ATOM 1184 N ILE C 39 95.037 11.833 -17.352 1.00 0.00 N ATOM 1185 CA ILE C 39 95.887 12.627 -18.236 1.00 0.00 C ATOM 1186 C ILE C 39 96.679 11.722 -19.174 1.00 0.00 C ATOM 1187 O ILE C 39 97.018 12.115 -20.287 1.00 0.00 O ATOM 1188 CB ILE C 39 96.836 13.514 -17.414 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.793 14.280 -18.344 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.653 12.650 -16.453 1.00 0.00 C ATOM 1191 CD1 ILE C 39 96.999 15.087 -19.379 1.00 0.00 C ATOM 0 H ILE C 39 95.252 11.920 -16.359 1.00 0.00 H new ATOM 0 HA ILE C 39 95.248 13.271 -18.840 1.00 0.00 H new ATOM 0 HB ILE C 39 96.238 14.228 -16.848 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.423 14.949 -17.757 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.457 13.579 -18.851 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.323 13.285 -15.874 1.00 0.00 H new ATOM 0 HG22 ILE C 39 96.980 12.121 -15.778 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.239 11.927 -17.022 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.690 15.623 -20.030 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.388 14.411 -19.977 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.354 15.801 -18.867 1.00 0.00 H new ATOM 1203 N ALA C 40 96.965 10.533 -18.733 1.00 0.00 N ATOM 1204 CA ALA C 40 97.704 9.591 -19.562 1.00 0.00 C ATOM 1205 C ALA C 40 96.822 9.077 -20.700 1.00 0.00 C ATOM 1206 O ALA C 40 97.299 8.794 -21.795 1.00 0.00 O ATOM 1207 CB ALA C 40 98.183 8.411 -18.713 1.00 0.00 C ATOM 0 H ALA C 40 96.705 10.182 -17.811 1.00 0.00 H new ATOM 0 HA ALA C 40 98.566 10.105 -19.986 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.735 7.711 -19.341 1.00 0.00 H new ATOM 0 HB2 ALA C 40 98.833 8.775 -17.918 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.323 7.905 -18.275 1.00 0.00 H new ATOM 1213 N TRP C 41 95.557 8.924 -20.404 1.00 0.00 N ATOM 1214 CA TRP C 41 94.583 8.394 -21.354 1.00 0.00 C ATOM 1215 C TRP C 41 94.657 9.079 -22.716 1.00 0.00 C ATOM 1216 O TRP C 41 94.743 8.416 -23.749 1.00 0.00 O ATOM 1217 CB TRP C 41 93.193 8.613 -20.755 1.00 0.00 C ATOM 1218 CG TRP C 41 92.155 7.875 -21.533 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.795 8.135 -22.812 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.319 6.772 -21.087 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.801 7.246 -23.183 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.471 6.389 -22.150 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.219 6.073 -19.872 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.555 5.345 -22.013 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.298 5.025 -19.728 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.467 4.662 -20.796 1.00 0.00 C ATOM 0 H TRP C 41 95.160 9.162 -19.495 1.00 0.00 H new ATOM 0 HA TRP C 41 94.797 7.338 -21.520 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.183 8.278 -19.718 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.959 9.678 -20.748 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.214 8.908 -23.439 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.366 7.226 -24.105 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.856 6.345 -19.043 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.919 5.067 -22.840 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.229 4.495 -18.789 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.759 3.855 -20.679 1.00 0.00 H new ATOM 1237 N THR C 42 94.608 10.375 -22.713 1.00 0.00 N ATOM 1238 CA THR C 42 94.651 11.138 -23.955 1.00 0.00 C ATOM 1239 C THR C 42 95.814 10.702 -24.848 1.00 0.00 C ATOM 1240 O THR C 42 95.749 10.854 -26.067 1.00 0.00 O ATOM 1241 CB THR C 42 94.762 12.636 -23.661 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.326 13.297 -24.784 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.649 12.849 -22.443 1.00 0.00 C ATOM 0 H THR C 42 94.538 10.943 -21.869 1.00 0.00 H new ATOM 0 HA THR C 42 93.721 10.941 -24.488 1.00 0.00 H new ATOM 0 HB THR C 42 93.771 13.044 -23.462 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.396 14.257 -24.598 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.729 13.916 -22.233 1.00 0.00 H new ATOM 0 HG22 THR C 42 95.213 12.341 -21.582 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.641 12.443 -22.640 1.00 0.00 H new ATOM 1251 N ILE C 43 96.865 10.188 -24.259 1.00 0.00 N ATOM 1252 CA ILE C 43 98.032 9.763 -25.032 1.00 0.00 C ATOM 1253 C ILE C 43 97.725 8.512 -25.875 1.00 0.00 C ATOM 1254 O ILE C 43 98.212 8.384 -26.995 1.00 0.00 O ATOM 1255 CB ILE C 43 99.218 9.512 -24.055 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.535 9.992 -24.676 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.360 8.022 -23.702 1.00 0.00 C ATOM 1258 CD1 ILE C 43 101.669 9.781 -23.672 1.00 0.00 C ATOM 0 H ILE C 43 96.948 10.049 -23.252 1.00 0.00 H new ATOM 0 HA ILE C 43 98.304 10.551 -25.734 1.00 0.00 H new ATOM 0 HB ILE C 43 99.003 10.072 -23.145 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.739 9.443 -25.595 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.462 11.046 -24.944 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.198 7.888 -23.018 1.00 0.00 H new ATOM 0 HG22 ILE C 43 98.444 7.672 -23.226 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.538 7.448 -24.611 1.00 0.00 H new ATOM 0 HD11 ILE C 43 102.609 10.120 -24.108 1.00 0.00 H new ATOM 0 HD12 ILE C 43 101.463 10.350 -22.765 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.745 8.722 -23.426 1.00 0.00 H new ATOM 1270 N GLY C 44 96.937 7.618 -25.330 1.00 0.00 N ATOM 1271 CA GLY C 44 96.567 6.378 -26.025 1.00 0.00 C ATOM 1272 C GLY C 44 95.617 6.656 -27.190 1.00 0.00 C ATOM 1273 O GLY C 44 95.584 5.922 -28.177 1.00 0.00 O ATOM 0 H GLY C 44 96.529 7.714 -24.400 1.00 0.00 H new ATOM 0 HA2 GLY C 44 97.465 5.884 -26.396 1.00 0.00 H new ATOM 0 HA3 GLY C 44 96.093 5.692 -25.322 1.00 0.00 H new ATOM 1277 N HIS C 45 94.860 7.698 -27.048 1.00 0.00 N ATOM 1278 CA HIS C 45 93.891 8.090 -28.064 1.00 0.00 C ATOM 1279 C HIS C 45 94.521 8.177 -29.462 1.00 0.00 C ATOM 1280 O HIS C 45 93.833 7.989 -30.466 1.00 0.00 O ATOM 1281 CB HIS C 45 93.286 9.442 -27.696 1.00 0.00 C ATOM 1282 CG HIS C 45 92.157 9.756 -28.637 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.086 10.950 -29.335 1.00 0.00 N ATOM 1284 CD2 HIS C 45 91.043 9.041 -29.002 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.963 10.921 -30.076 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.290 9.779 -29.910 1.00 0.00 N ATOM 0 H HIS C 45 94.884 8.310 -26.232 1.00 0.00 H new ATOM 0 HA HIS C 45 93.118 7.322 -28.096 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.923 9.423 -26.668 1.00 0.00 H new ATOM 0 HB3 HIS C 45 94.047 10.220 -27.751 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.790 8.056 -28.639 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.645 11.723 -30.726 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.413 9.507 -30.354 1.00 0.00 H new ATOM 1295 N LEU C 46 95.789 8.494 -29.529 1.00 0.00 N ATOM 1296 CA LEU C 46 96.460 8.650 -30.825 1.00 0.00 C ATOM 1297 C LEU C 46 96.192 7.493 -31.796 1.00 0.00 C ATOM 1298 O LEU C 46 96.048 7.734 -32.993 1.00 0.00 O ATOM 1299 CB LEU C 46 97.981 8.962 -30.662 1.00 0.00 C ATOM 1300 CG LEU C 46 98.904 7.748 -30.305 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.253 6.756 -29.323 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.374 7.005 -31.572 1.00 0.00 C ATOM 0 H LEU C 46 96.386 8.651 -28.717 1.00 0.00 H new ATOM 0 HA LEU C 46 96.007 9.524 -31.294 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.341 9.404 -31.591 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.094 9.718 -29.885 1.00 0.00 H new ATOM 0 HG LEU C 46 99.770 8.177 -29.801 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.945 5.940 -29.118 1.00 0.00 H new ATOM 0 HD12 LEU C 46 98.013 7.270 -28.392 1.00 0.00 H new ATOM 0 HD13 LEU C 46 97.340 6.355 -29.763 1.00 0.00 H new ATOM 0 HD21 LEU C 46 100.012 6.169 -31.288 1.00 0.00 H new ATOM 0 HD22 LEU C 46 98.507 6.631 -32.117 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.935 7.690 -32.208 1.00 0.00 H new ATOM 1314 N ASN C 47 96.127 6.272 -31.340 1.00 0.00 N ATOM 1315 CA ASN C 47 95.874 5.170 -32.277 1.00 0.00 C ATOM 1316 C ASN C 47 94.451 5.246 -32.859 1.00 0.00 C ATOM 1317 O ASN C 47 94.272 5.230 -34.076 1.00 0.00 O ATOM 1318 CB ASN C 47 96.053 3.825 -31.563 1.00 0.00 C ATOM 1319 CG ASN C 47 97.505 3.648 -31.129 1.00 0.00 C ATOM 1320 OD1 ASN C 47 98.411 3.699 -31.962 1.00 0.00 O ATOM 1321 ND2 ASN C 47 97.784 3.445 -29.869 1.00 0.00 N ATOM 0 H ASN C 47 96.239 6.002 -30.363 1.00 0.00 H new ATOM 0 HA ASN C 47 96.590 5.257 -33.094 1.00 0.00 H new ATOM 0 HB2 ASN C 47 95.397 3.776 -30.694 1.00 0.00 H new ATOM 0 HB3 ASN C 47 95.762 3.011 -32.227 1.00 0.00 H new ATOM 0 HD21 ASN C 47 98.753 3.328 -29.574 1.00 0.00 H new ATOM 0 HD22 ASN C 47 97.033 3.403 -29.181 1.00 0.00 H new ATOM 1328 N GLN C 48 93.465 5.315 -32.000 1.00 0.00 N ATOM 1329 CA GLN C 48 92.075 5.374 -32.433 1.00 0.00 C ATOM 1330 C GLN C 48 91.841 6.476 -33.470 1.00 0.00 C ATOM 1331 O GLN C 48 91.299 6.215 -34.543 1.00 0.00 O ATOM 1332 CB GLN C 48 91.172 5.622 -31.221 1.00 0.00 C ATOM 1333 CG GLN C 48 91.211 4.413 -30.278 1.00 0.00 C ATOM 1334 CD GLN C 48 92.508 4.408 -29.474 1.00 0.00 C ATOM 1335 OE1 GLN C 48 93.222 5.410 -29.440 1.00 0.00 O ATOM 1336 NE2 GLN C 48 92.854 3.334 -28.817 1.00 0.00 N ATOM 0 H GLN C 48 93.592 5.332 -30.988 1.00 0.00 H new ATOM 0 HA GLN C 48 91.835 4.419 -32.900 1.00 0.00 H new ATOM 0 HB2 GLN C 48 91.499 6.517 -30.691 1.00 0.00 H new ATOM 0 HB3 GLN C 48 90.149 5.803 -31.551 1.00 0.00 H new ATOM 0 HG2 GLN C 48 90.357 4.443 -29.602 1.00 0.00 H new ATOM 0 HG3 GLN C 48 91.129 3.491 -30.854 1.00 0.00 H new ATOM 0 HE21 GLN C 48 92.261 2.505 -28.847 1.00 0.00 H new ATOM 0 HE22 GLN C 48 93.717 3.324 -28.274 1.00 0.00 H new ATOM 1345 N ILE C 49 92.222 7.685 -33.151 1.00 0.00 N ATOM 1346 CA ILE C 49 92.013 8.796 -34.077 1.00 0.00 C ATOM 1347 C ILE C 49 92.782 8.571 -35.379 1.00 0.00 C ATOM 1348 O ILE C 49 92.294 8.899 -36.460 1.00 0.00 O ATOM 1349 CB ILE C 49 92.429 10.127 -33.428 1.00 0.00 C ATOM 1350 CG1 ILE C 49 91.813 11.292 -34.213 1.00 0.00 C ATOM 1351 CG2 ILE C 49 93.953 10.268 -33.428 1.00 0.00 C ATOM 1352 CD1 ILE C 49 92.158 12.618 -33.530 1.00 0.00 C ATOM 0 H ILE C 49 92.674 7.936 -32.272 1.00 0.00 H new ATOM 0 HA ILE C 49 90.950 8.845 -34.314 1.00 0.00 H new ATOM 0 HB ILE C 49 92.072 10.142 -32.398 1.00 0.00 H new ATOM 0 HG12 ILE C 49 92.188 11.291 -35.236 1.00 0.00 H new ATOM 0 HG13 ILE C 49 90.731 11.172 -34.270 1.00 0.00 H new ATOM 0 HG21 ILE C 49 94.231 11.215 -32.965 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.394 9.446 -32.865 1.00 0.00 H new ATOM 0 HG23 ILE C 49 94.321 10.244 -34.454 1.00 0.00 H new ATOM 0 HD11 ILE C 49 91.718 13.442 -34.092 1.00 0.00 H new ATOM 0 HD12 ILE C 49 91.761 12.618 -32.515 1.00 0.00 H new ATOM 0 HD13 ILE C 49 93.241 12.739 -33.497 1.00 0.00 H new ATOM 1364 N LYS C 50 93.958 8.016 -35.271 1.00 0.00 N ATOM 1365 CA LYS C 50 94.771 7.750 -36.453 1.00 0.00 C ATOM 1366 C LYS C 50 94.178 6.594 -37.251 1.00 0.00 C ATOM 1367 O LYS C 50 94.333 5.429 -36.885 1.00 0.00 O ATOM 1368 CB LYS C 50 96.206 7.401 -36.036 1.00 0.00 C ATOM 1369 CG LYS C 50 97.132 7.381 -37.269 1.00 0.00 C ATOM 1370 CD LYS C 50 97.662 8.791 -37.558 1.00 0.00 C ATOM 1371 CE LYS C 50 98.644 8.736 -38.731 1.00 0.00 C ATOM 1372 NZ LYS C 50 99.240 10.084 -38.944 1.00 0.00 N ATOM 0 H LYS C 50 94.384 7.736 -34.387 1.00 0.00 H new ATOM 0 HA LYS C 50 94.783 8.645 -37.075 1.00 0.00 H new ATOM 0 HB2 LYS C 50 96.569 8.130 -35.312 1.00 0.00 H new ATOM 0 HB3 LYS C 50 96.223 6.428 -35.544 1.00 0.00 H new ATOM 0 HG2 LYS C 50 97.965 6.700 -37.096 1.00 0.00 H new ATOM 0 HG3 LYS C 50 96.588 7.005 -38.135 1.00 0.00 H new ATOM 0 HD2 LYS C 50 96.835 9.461 -37.793 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.157 9.193 -36.674 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.429 8.008 -38.528 1.00 0.00 H new ATOM 0 HE3 LYS C 50 98.130 8.407 -39.634 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 98.851 10.502 -39.813 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 99.013 10.696 -38.134 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 100.272 9.997 -39.034 1.00 0.00 H new ATOM 1386 N ARG C 51 93.508 6.916 -38.324 1.00 0.00 N ATOM 1387 CA ARG C 51 92.897 5.893 -39.165 1.00 0.00 C ATOM 1388 C ARG C 51 92.383 6.506 -40.462 1.00 0.00 C ATOM 1389 O ARG C 51 91.519 7.383 -40.448 1.00 0.00 O ATOM 1390 CB ARG C 51 91.739 5.222 -38.409 1.00 0.00 C ATOM 1391 CG ARG C 51 91.175 4.024 -39.219 1.00 0.00 C ATOM 1392 CD ARG C 51 89.894 4.429 -39.961 1.00 0.00 C ATOM 1393 NE ARG C 51 88.787 4.560 -39.019 1.00 0.00 N ATOM 1394 CZ ARG C 51 87.570 4.777 -39.435 1.00 0.00 C ATOM 1395 NH1 ARG C 51 87.324 4.877 -40.713 1.00 0.00 N ATOM 1396 NH2 ARG C 51 86.596 4.893 -38.572 1.00 0.00 N ATOM 0 H ARG C 51 93.365 7.873 -38.646 1.00 0.00 H new ATOM 0 HA ARG C 51 93.651 5.144 -39.409 1.00 0.00 H new ATOM 0 HB2 ARG C 51 92.086 4.877 -37.435 1.00 0.00 H new ATOM 0 HB3 ARG C 51 90.947 5.949 -38.227 1.00 0.00 H new ATOM 0 HG2 ARG C 51 91.922 3.678 -39.934 1.00 0.00 H new ATOM 0 HG3 ARG C 51 90.965 3.191 -38.548 1.00 0.00 H new ATOM 0 HD2 ARG C 51 90.050 5.373 -40.483 1.00 0.00 H new ATOM 0 HD3 ARG C 51 89.651 3.682 -40.717 1.00 0.00 H new ATOM 0 HE ARG C 51 88.968 4.481 -38.018 1.00 0.00 H new ATOM 0 HH11 ARG C 51 88.084 4.785 -41.387 1.00 0.00 H new ATOM 0 HH12 ARG C 51 86.372 5.047 -41.037 1.00 0.00 H new ATOM 0 HH21 ARG C 51 86.787 4.814 -37.573 1.00 0.00 H new ATOM 0 HH22 ARG C 51 85.644 5.063 -38.897 1.00 0.00 H new ATOM 1410 N GLY C 52 92.909 6.045 -41.565 1.00 0.00 N ATOM 1411 CA GLY C 52 92.496 6.555 -42.867 1.00 0.00 C ATOM 1412 C GLY C 52 92.536 8.078 -42.895 1.00 0.00 C ATOM 0 H GLY C 52 93.624 5.318 -41.600 1.00 0.00 H new ATOM 0 HA2 GLY C 52 93.151 6.156 -43.642 1.00 0.00 H new ATOM 0 HA3 GLY C 52 91.487 6.210 -43.093 1.00 0.00 H new ATOM 1417 N SER D 23 86.250 -3.360 11.419 1.00 0.00 N ATOM 1418 CA SER D 23 85.884 -3.083 10.000 1.00 0.00 C ATOM 1419 C SER D 23 86.944 -3.677 9.079 1.00 0.00 C ATOM 1420 O SER D 23 88.142 -3.558 9.337 1.00 0.00 O ATOM 1421 CB SER D 23 85.793 -1.572 9.788 1.00 0.00 C ATOM 1422 OG SER D 23 85.144 -1.310 8.550 1.00 0.00 O ATOM 0 HA SER D 23 84.919 -3.536 9.771 1.00 0.00 H new ATOM 0 HB2 SER D 23 85.240 -1.111 10.606 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.790 -1.132 9.789 1.00 0.00 H new ATOM 0 HG SER D 23 85.082 -0.342 8.411 1.00 0.00 H new ATOM 1427 N ASP D 24 86.505 -4.310 8.025 1.00 0.00 N ATOM 1428 CA ASP D 24 87.420 -4.923 7.074 1.00 0.00 C ATOM 1429 C ASP D 24 88.053 -3.842 6.189 1.00 0.00 C ATOM 1430 O ASP D 24 87.323 -3.149 5.492 1.00 0.00 O ATOM 1431 CB ASP D 24 86.650 -5.907 6.191 1.00 0.00 C ATOM 1432 CG ASP D 24 87.624 -6.736 5.362 1.00 0.00 C ATOM 1433 OD1 ASP D 24 88.181 -6.194 4.421 1.00 0.00 O ATOM 1434 OD2 ASP D 24 87.800 -7.901 5.681 1.00 0.00 O ATOM 0 H ASP D 24 85.518 -4.420 7.794 1.00 0.00 H new ATOM 0 HA ASP D 24 88.204 -5.449 7.619 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.038 -6.562 6.811 1.00 0.00 H new ATOM 0 HB3 ASP D 24 85.971 -5.364 5.534 1.00 0.00 H new ATOM 1439 N PRO D 25 89.370 -3.675 6.198 1.00 0.00 N ATOM 1440 CA PRO D 25 90.066 -2.641 5.357 1.00 0.00 C ATOM 1441 C PRO D 25 89.542 -2.563 3.917 1.00 0.00 C ATOM 1442 O PRO D 25 90.232 -2.937 2.970 1.00 0.00 O ATOM 1443 CB PRO D 25 91.530 -3.095 5.383 1.00 0.00 C ATOM 1444 CG PRO D 25 91.695 -3.782 6.698 1.00 0.00 C ATOM 1445 CD PRO D 25 90.343 -4.435 7.014 1.00 0.00 C ATOM 0 HA PRO D 25 89.904 -1.636 5.747 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.750 -3.769 4.555 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.209 -2.247 5.292 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.486 -4.530 6.650 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.975 -3.071 7.476 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.341 -5.493 6.752 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.108 -4.369 8.076 1.00 0.00 H new ATOM 1453 N LEU D 26 88.341 -2.084 3.768 1.00 0.00 N ATOM 1454 CA LEU D 26 87.733 -1.957 2.449 1.00 0.00 C ATOM 1455 C LEU D 26 88.489 -0.920 1.618 1.00 0.00 C ATOM 1456 O LEU D 26 88.671 -1.088 0.412 1.00 0.00 O ATOM 1457 CB LEU D 26 86.258 -1.547 2.606 1.00 0.00 C ATOM 1458 CG LEU D 26 85.429 -1.973 1.378 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.321 -3.513 1.300 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.029 -1.360 1.501 1.00 0.00 C ATOM 0 H LEU D 26 87.751 -1.770 4.539 1.00 0.00 H new ATOM 0 HA LEU D 26 87.785 -2.915 1.932 1.00 0.00 H new ATOM 0 HB2 LEU D 26 85.844 -2.005 3.504 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.190 -0.467 2.738 1.00 0.00 H new ATOM 0 HG LEU D 26 85.918 -1.621 0.470 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.732 -3.793 0.426 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.319 -3.944 1.218 1.00 0.00 H new ATOM 0 HD13 LEU D 26 84.836 -3.890 2.200 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.427 -1.651 0.640 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.554 -1.719 2.414 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.109 -0.274 1.537 1.00 0.00 H new ATOM 1472 N VAL D 27 88.898 0.142 2.260 1.00 0.00 N ATOM 1473 CA VAL D 27 89.610 1.219 1.575 1.00 0.00 C ATOM 1474 C VAL D 27 90.916 0.740 0.936 1.00 0.00 C ATOM 1475 O VAL D 27 91.155 1.000 -0.243 1.00 0.00 O ATOM 1476 CB VAL D 27 89.923 2.344 2.569 1.00 0.00 C ATOM 1477 CG1 VAL D 27 90.739 3.444 1.880 1.00 0.00 C ATOM 1478 CG2 VAL D 27 88.612 2.938 3.091 1.00 0.00 C ATOM 0 H VAL D 27 88.756 0.296 3.258 1.00 0.00 H new ATOM 0 HA VAL D 27 88.960 1.579 0.778 1.00 0.00 H new ATOM 0 HB VAL D 27 90.502 1.937 3.398 1.00 0.00 H new ATOM 0 HG11 VAL D 27 90.956 4.238 2.595 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.674 3.025 1.509 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.168 3.852 1.046 1.00 0.00 H new ATOM 0 HG21 VAL D 27 88.831 3.738 3.798 1.00 0.00 H new ATOM 0 HG22 VAL D 27 88.036 3.339 2.257 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.034 2.161 3.591 1.00 0.00 H new ATOM 1488 N VAL D 28 91.751 0.063 1.684 1.00 0.00 N ATOM 1489 CA VAL D 28 93.022 -0.424 1.150 1.00 0.00 C ATOM 1490 C VAL D 28 92.821 -1.595 0.187 1.00 0.00 C ATOM 1491 O VAL D 28 93.646 -1.838 -0.693 1.00 0.00 O ATOM 1492 CB VAL D 28 93.949 -0.835 2.305 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.518 -2.190 2.872 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.392 -0.931 1.796 1.00 0.00 C ATOM 0 H VAL D 28 91.585 -0.169 2.663 1.00 0.00 H new ATOM 0 HA VAL D 28 93.483 0.387 0.586 1.00 0.00 H new ATOM 0 HB VAL D 28 93.887 -0.084 3.092 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.182 -2.470 3.689 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.495 -2.121 3.243 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.569 -2.945 2.088 1.00 0.00 H new ATOM 0 HG21 VAL D 28 96.048 -1.222 2.616 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.449 -1.676 1.003 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.706 0.038 1.407 1.00 0.00 H new ATOM 1504 N ALA D 29 91.749 -2.314 0.373 1.00 0.00 N ATOM 1505 CA ALA D 29 91.455 -3.469 -0.469 1.00 0.00 C ATOM 1506 C ALA D 29 91.341 -3.070 -1.939 1.00 0.00 C ATOM 1507 O ALA D 29 91.791 -3.797 -2.819 1.00 0.00 O ATOM 1508 CB ALA D 29 90.149 -4.122 -0.014 1.00 0.00 C ATOM 0 H ALA D 29 91.056 -2.130 1.098 1.00 0.00 H new ATOM 0 HA ALA D 29 92.278 -4.177 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA D 29 89.934 -4.984 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA D 29 90.246 -4.447 1.022 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.335 -3.402 -0.094 1.00 0.00 H new ATOM 1514 N ALA D 30 90.765 -1.928 -2.192 1.00 0.00 N ATOM 1515 CA ALA D 30 90.639 -1.467 -3.565 1.00 0.00 C ATOM 1516 C ALA D 30 91.999 -1.005 -4.100 1.00 0.00 C ATOM 1517 O ALA D 30 92.449 -1.436 -5.161 1.00 0.00 O ATOM 1518 CB ALA D 30 89.646 -0.330 -3.618 1.00 0.00 C ATOM 0 H ALA D 30 90.378 -1.302 -1.486 1.00 0.00 H new ATOM 0 HA ALA D 30 90.286 -2.288 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.548 0.020 -4.646 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.677 -0.676 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.996 0.488 -2.988 1.00 0.00 H new ATOM 1524 N SER D 31 92.617 -0.127 -3.356 1.00 0.00 N ATOM 1525 CA SER D 31 93.920 0.441 -3.709 1.00 0.00 C ATOM 1526 C SER D 31 94.958 -0.633 -4.054 1.00 0.00 C ATOM 1527 O SER D 31 95.898 -0.381 -4.806 1.00 0.00 O ATOM 1528 CB SER D 31 94.432 1.260 -2.529 1.00 0.00 C ATOM 1529 OG SER D 31 95.643 1.908 -2.893 1.00 0.00 O ATOM 0 H SER D 31 92.239 0.227 -2.477 1.00 0.00 H new ATOM 0 HA SER D 31 93.782 1.060 -4.596 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.686 1.998 -2.234 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.598 0.613 -1.668 1.00 0.00 H new ATOM 0 HG SER D 31 95.972 2.436 -2.136 1.00 0.00 H new ATOM 1535 N ILE D 32 94.792 -1.790 -3.489 1.00 0.00 N ATOM 1536 CA ILE D 32 95.740 -2.878 -3.727 1.00 0.00 C ATOM 1537 C ILE D 32 95.834 -3.199 -5.224 1.00 0.00 C ATOM 1538 O ILE D 32 96.927 -3.359 -5.760 1.00 0.00 O ATOM 1539 CB ILE D 32 95.346 -4.122 -2.892 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.599 -4.917 -2.486 1.00 0.00 C ATOM 1541 CG2 ILE D 32 94.401 -5.038 -3.678 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.451 -5.243 -3.717 1.00 0.00 C ATOM 0 H ILE D 32 94.021 -2.021 -2.862 1.00 0.00 H new ATOM 0 HA ILE D 32 96.732 -2.562 -3.404 1.00 0.00 H new ATOM 0 HB ILE D 32 94.833 -3.769 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.187 -4.340 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.305 -5.840 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE D 32 94.141 -5.903 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE D 32 93.495 -4.490 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE D 32 94.894 -5.373 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE D 32 98.333 -5.805 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE D 32 96.866 -5.839 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.761 -4.317 -4.200 1.00 0.00 H new ATOM 1554 N ILE D 33 94.714 -3.298 -5.879 1.00 0.00 N ATOM 1555 CA ILE D 33 94.715 -3.606 -7.305 1.00 0.00 C ATOM 1556 C ILE D 33 95.275 -2.437 -8.119 1.00 0.00 C ATOM 1557 O ILE D 33 95.863 -2.643 -9.179 1.00 0.00 O ATOM 1558 CB ILE D 33 93.292 -3.947 -7.779 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.891 -5.319 -7.228 1.00 0.00 C ATOM 1560 CG2 ILE D 33 93.242 -3.991 -9.312 1.00 0.00 C ATOM 1561 CD1 ILE D 33 91.393 -5.541 -7.444 1.00 0.00 C ATOM 0 H ILE D 33 93.790 -3.174 -5.466 1.00 0.00 H new ATOM 0 HA ILE D 33 95.358 -4.471 -7.463 1.00 0.00 H new ATOM 0 HB ILE D 33 92.605 -3.182 -7.418 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.461 -6.103 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE D 33 93.128 -5.379 -6.166 1.00 0.00 H new ATOM 0 HG21 ILE D 33 92.230 -4.233 -9.636 1.00 0.00 H new ATOM 0 HG22 ILE D 33 93.529 -3.019 -9.713 1.00 0.00 H new ATOM 0 HG23 ILE D 33 93.932 -4.752 -9.677 1.00 0.00 H new ATOM 0 HD11 ILE D 33 91.110 -6.518 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.831 -4.764 -6.925 1.00 0.00 H new ATOM 0 HD13 ILE D 33 91.169 -5.500 -8.510 1.00 0.00 H new ATOM 1573 N GLY D 34 95.035 -1.233 -7.676 1.00 0.00 N ATOM 1574 CA GLY D 34 95.456 -0.053 -8.424 1.00 0.00 C ATOM 1575 C GLY D 34 96.894 -0.121 -8.940 1.00 0.00 C ATOM 1576 O GLY D 34 97.141 0.231 -10.095 1.00 0.00 O ATOM 0 H GLY D 34 94.551 -1.031 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.784 0.086 -9.271 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.351 0.825 -7.786 1.00 0.00 H new ATOM 1580 N ILE D 35 97.831 -0.542 -8.138 1.00 0.00 N ATOM 1581 CA ILE D 35 99.211 -0.596 -8.622 1.00 0.00 C ATOM 1582 C ILE D 35 99.322 -1.519 -9.838 1.00 0.00 C ATOM 1583 O ILE D 35 100.175 -1.320 -10.703 1.00 0.00 O ATOM 1584 CB ILE D 35 100.169 -1.058 -7.523 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.647 -2.348 -6.890 1.00 0.00 C ATOM 1586 CG2 ILE D 35 100.279 0.030 -6.451 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.766 -3.005 -6.078 1.00 0.00 C ATOM 0 H ILE D 35 97.689 -0.847 -7.175 1.00 0.00 H new ATOM 0 HA ILE D 35 99.495 0.414 -8.918 1.00 0.00 H new ATOM 0 HB ILE D 35 101.152 -1.243 -7.957 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.795 -2.131 -6.246 1.00 0.00 H new ATOM 0 HG13 ILE D 35 99.296 -3.030 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.962 -0.299 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.658 0.947 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE D 35 99.295 0.217 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.395 -3.925 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.605 -3.236 -6.735 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.096 -2.323 -5.294 1.00 0.00 H new ATOM 1599 N LEU D 36 98.469 -2.506 -9.896 1.00 0.00 N ATOM 1600 CA LEU D 36 98.473 -3.453 -11.011 1.00 0.00 C ATOM 1601 C LEU D 36 98.189 -2.737 -12.334 1.00 0.00 C ATOM 1602 O LEU D 36 98.907 -2.912 -13.319 1.00 0.00 O ATOM 1603 CB LEU D 36 97.392 -4.515 -10.770 1.00 0.00 C ATOM 1604 CG LEU D 36 97.579 -5.709 -11.726 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.610 -6.693 -11.155 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.240 -6.440 -11.899 1.00 0.00 C ATOM 0 H LEU D 36 97.756 -2.687 -9.190 1.00 0.00 H new ATOM 0 HA LEU D 36 99.457 -3.919 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.437 -4.859 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.405 -4.076 -10.917 1.00 0.00 H new ATOM 0 HG LEU D 36 97.931 -5.335 -12.687 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.732 -7.531 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.566 -6.185 -11.029 1.00 0.00 H new ATOM 0 HD13 LEU D 36 98.265 -7.062 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.371 -7.285 -12.575 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.895 -6.801 -10.930 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.502 -5.754 -12.315 1.00 0.00 H new ATOM 1618 N HIS D 37 97.143 -1.960 -12.340 1.00 0.00 N ATOM 1619 CA HIS D 37 96.755 -1.237 -13.550 1.00 0.00 C ATOM 1620 C HIS D 37 97.814 -0.208 -13.938 1.00 0.00 C ATOM 1621 O HIS D 37 97.979 0.106 -15.116 1.00 0.00 O ATOM 1622 CB HIS D 37 95.375 -0.571 -13.391 1.00 0.00 C ATOM 1623 CG HIS D 37 95.443 0.693 -12.563 1.00 0.00 C ATOM 1624 ND1 HIS D 37 96.441 1.650 -12.707 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.607 1.177 -11.588 1.00 0.00 C ATOM 1626 CE1 HIS D 37 96.180 2.643 -11.838 1.00 0.00 C ATOM 1627 NE2 HIS D 37 95.074 2.406 -11.132 1.00 0.00 N ATOM 0 H HIS D 37 96.538 -1.802 -11.534 1.00 0.00 H new ATOM 0 HA HIS D 37 96.680 -1.966 -14.357 1.00 0.00 H new ATOM 0 HB2 HIS D 37 94.971 -0.337 -14.376 1.00 0.00 H new ATOM 0 HB3 HIS D 37 94.686 -1.274 -12.922 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.719 0.678 -11.228 1.00 0.00 H new ATOM 0 HE1 HIS D 37 96.792 3.526 -11.726 1.00 0.00 H new ATOM 0 HE2 HIS D 37 94.659 2.998 -10.412 1.00 0.00 H new ATOM 1636 N PHE D 38 98.508 0.313 -12.961 1.00 0.00 N ATOM 1637 CA PHE D 38 99.539 1.319 -13.216 1.00 0.00 C ATOM 1638 C PHE D 38 100.705 0.744 -14.023 1.00 0.00 C ATOM 1639 O PHE D 38 101.129 1.335 -15.016 1.00 0.00 O ATOM 1640 CB PHE D 38 100.062 1.875 -11.887 1.00 0.00 C ATOM 1641 CG PHE D 38 101.171 2.867 -12.155 1.00 0.00 C ATOM 1642 CD1 PHE D 38 100.863 4.188 -12.509 1.00 0.00 C ATOM 1643 CD2 PHE D 38 102.509 2.465 -12.053 1.00 0.00 C ATOM 1644 CE1 PHE D 38 101.893 5.103 -12.760 1.00 0.00 C ATOM 1645 CE2 PHE D 38 103.537 3.381 -12.306 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.229 4.700 -12.660 1.00 0.00 C ATOM 0 H PHE D 38 98.388 0.067 -11.978 1.00 0.00 H new ATOM 0 HA PHE D 38 99.085 2.118 -13.802 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.253 2.358 -11.339 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.430 1.062 -11.261 1.00 0.00 H new ATOM 0 HD1 PHE D 38 99.832 4.500 -12.588 1.00 0.00 H new ATOM 0 HD2 PHE D 38 102.748 1.448 -11.779 1.00 0.00 H new ATOM 0 HE1 PHE D 38 101.656 6.121 -13.031 1.00 0.00 H new ATOM 0 HE2 PHE D 38 104.568 3.070 -12.228 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.022 5.406 -12.856 1.00 0.00 H new ATOM 1656 N ILE D 39 101.227 -0.372 -13.593 1.00 0.00 N ATOM 1657 CA ILE D 39 102.361 -0.993 -14.279 1.00 0.00 C ATOM 1658 C ILE D 39 101.979 -1.481 -15.672 1.00 0.00 C ATOM 1659 O ILE D 39 102.754 -1.346 -16.620 1.00 0.00 O ATOM 1660 CB ILE D 39 102.882 -2.172 -13.458 1.00 0.00 C ATOM 1661 CG1 ILE D 39 103.294 -1.680 -12.068 1.00 0.00 C ATOM 1662 CG2 ILE D 39 104.094 -2.785 -14.163 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.596 -2.881 -11.168 1.00 0.00 C ATOM 0 H ILE D 39 100.896 -0.881 -12.773 1.00 0.00 H new ATOM 0 HA ILE D 39 103.138 -0.236 -14.384 1.00 0.00 H new ATOM 0 HB ILE D 39 102.099 -2.924 -13.360 1.00 0.00 H new ATOM 0 HG12 ILE D 39 104.172 -1.039 -12.143 1.00 0.00 H new ATOM 0 HG13 ILE D 39 102.496 -1.078 -11.633 1.00 0.00 H new ATOM 0 HG21 ILE D 39 104.467 -3.626 -13.579 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.801 -3.132 -15.154 1.00 0.00 H new ATOM 0 HG23 ILE D 39 104.878 -2.034 -14.259 1.00 0.00 H new ATOM 0 HD11 ILE D 39 103.889 -2.530 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.706 -3.505 -11.083 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.408 -3.465 -11.601 1.00 0.00 H new ATOM 1675 N ALA D 40 100.811 -2.042 -15.790 1.00 0.00 N ATOM 1676 CA ALA D 40 100.344 -2.552 -17.071 1.00 0.00 C ATOM 1677 C ALA D 40 100.074 -1.410 -18.034 1.00 0.00 C ATOM 1678 O ALA D 40 100.138 -1.585 -19.239 1.00 0.00 O ATOM 1679 CB ALA D 40 99.072 -3.378 -16.873 1.00 0.00 C ATOM 0 H ALA D 40 100.154 -2.164 -15.019 1.00 0.00 H new ATOM 0 HA ALA D 40 101.122 -3.187 -17.495 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.730 -3.756 -17.837 1.00 0.00 H new ATOM 0 HB2 ALA D 40 99.282 -4.216 -16.209 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.296 -2.752 -16.432 1.00 0.00 H new ATOM 1685 N TRP D 41 99.742 -0.277 -17.504 1.00 0.00 N ATOM 1686 CA TRP D 41 99.433 0.891 -18.325 1.00 0.00 C ATOM 1687 C TRP D 41 100.629 1.320 -19.176 1.00 0.00 C ATOM 1688 O TRP D 41 100.473 1.709 -20.333 1.00 0.00 O ATOM 1689 CB TRP D 41 99.024 2.036 -17.395 1.00 0.00 C ATOM 1690 CG TRP D 41 98.646 3.256 -18.174 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.480 3.985 -18.958 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.353 3.925 -18.225 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.772 5.037 -19.502 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.461 5.044 -19.077 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.106 3.669 -17.625 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.381 5.877 -19.326 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.012 4.517 -17.872 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.153 5.620 -18.725 1.00 0.00 C ATOM 0 H TRP D 41 99.672 -0.117 -16.499 1.00 0.00 H new ATOM 0 HA TRP D 41 98.623 0.636 -19.008 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.184 1.722 -16.775 1.00 0.00 H new ATOM 0 HB3 TRP D 41 99.847 2.272 -16.721 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.526 3.776 -19.128 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.170 5.725 -20.141 1.00 0.00 H new ATOM 0 HE3 TRP D 41 95.989 2.817 -16.972 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.493 6.725 -19.986 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.060 4.318 -17.403 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.311 6.269 -18.915 1.00 0.00 H new ATOM 1709 N THR D 42 101.789 1.302 -18.586 1.00 0.00 N ATOM 1710 CA THR D 42 103.012 1.748 -19.258 1.00 0.00 C ATOM 1711 C THR D 42 103.208 1.137 -20.651 1.00 0.00 C ATOM 1712 O THR D 42 103.601 1.845 -21.579 1.00 0.00 O ATOM 1713 CB THR D 42 104.225 1.411 -18.385 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.162 0.047 -17.997 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.226 2.300 -17.141 1.00 0.00 C ATOM 0 H THR D 42 101.932 0.982 -17.628 1.00 0.00 H new ATOM 0 HA THR D 42 102.913 2.824 -19.398 1.00 0.00 H new ATOM 0 HB THR D 42 105.140 1.586 -18.951 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.637 -0.035 -17.174 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.090 2.058 -16.522 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.277 3.346 -17.442 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.312 2.130 -16.571 1.00 0.00 H new ATOM 1723 N ILE D 43 102.986 -0.140 -20.803 1.00 0.00 N ATOM 1724 CA ILE D 43 103.204 -0.770 -22.109 1.00 0.00 C ATOM 1725 C ILE D 43 102.434 -0.050 -23.229 1.00 0.00 C ATOM 1726 O ILE D 43 102.855 -0.079 -24.378 1.00 0.00 O ATOM 1727 CB ILE D 43 102.883 -2.294 -22.067 1.00 0.00 C ATOM 1728 CG1 ILE D 43 101.484 -2.623 -22.648 1.00 0.00 C ATOM 1729 CG2 ILE D 43 102.958 -2.796 -20.624 1.00 0.00 C ATOM 1730 CD1 ILE D 43 100.371 -1.823 -21.955 1.00 0.00 C ATOM 0 H ILE D 43 102.661 -0.767 -20.067 1.00 0.00 H new ATOM 0 HA ILE D 43 104.264 -0.670 -22.344 1.00 0.00 H new ATOM 0 HB ILE D 43 103.625 -2.796 -22.688 1.00 0.00 H new ATOM 0 HG12 ILE D 43 101.475 -2.406 -23.716 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.287 -3.689 -22.537 1.00 0.00 H new ATOM 0 HG21 ILE D 43 102.733 -3.862 -20.598 1.00 0.00 H new ATOM 0 HG22 ILE D 43 103.961 -2.627 -20.232 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.234 -2.257 -20.013 1.00 0.00 H new ATOM 0 HD11 ILE D 43 99.408 -2.085 -22.393 1.00 0.00 H new ATOM 0 HD12 ILE D 43 100.362 -2.059 -20.891 1.00 0.00 H new ATOM 0 HD13 ILE D 43 100.552 -0.757 -22.088 1.00 0.00 H new ATOM 1742 N GLY D 44 101.328 0.575 -22.916 1.00 0.00 N ATOM 1743 CA GLY D 44 100.548 1.261 -23.954 1.00 0.00 C ATOM 1744 C GLY D 44 101.450 2.136 -24.819 1.00 0.00 C ATOM 1745 O GLY D 44 101.392 2.078 -26.046 1.00 0.00 O ATOM 0 H GLY D 44 100.940 0.632 -21.974 1.00 0.00 H new ATOM 0 HA2 GLY D 44 100.039 0.526 -24.578 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.776 1.874 -23.489 1.00 0.00 H new ATOM 1749 N HIS D 45 102.231 2.963 -24.187 1.00 0.00 N ATOM 1750 CA HIS D 45 103.103 3.886 -24.904 1.00 0.00 C ATOM 1751 C HIS D 45 103.797 3.199 -26.078 1.00 0.00 C ATOM 1752 O HIS D 45 104.207 3.857 -27.032 1.00 0.00 O ATOM 1753 CB HIS D 45 104.154 4.448 -23.948 1.00 0.00 C ATOM 1754 CG HIS D 45 105.071 5.377 -24.697 1.00 0.00 C ATOM 1755 ND1 HIS D 45 106.221 4.930 -25.329 1.00 0.00 N ATOM 1756 CD2 HIS D 45 105.018 6.728 -24.926 1.00 0.00 C ATOM 1757 CE1 HIS D 45 106.808 5.997 -25.903 1.00 0.00 C ATOM 1758 NE2 HIS D 45 106.116 7.118 -25.688 1.00 0.00 N ATOM 0 H HIS D 45 102.292 3.027 -23.171 1.00 0.00 H new ATOM 0 HA HIS D 45 102.487 4.695 -25.298 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.669 4.981 -23.130 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.728 3.635 -23.503 1.00 0.00 H new ATOM 0 HD2 HIS D 45 104.242 7.389 -24.569 1.00 0.00 H new ATOM 0 HE1 HIS D 45 107.727 5.951 -26.469 1.00 0.00 H new ATOM 0 HE2 HIS D 45 106.343 8.058 -26.012 1.00 0.00 H new ATOM 1767 N LEU D 46 103.951 1.912 -26.011 1.00 0.00 N ATOM 1768 CA LEU D 46 104.624 1.200 -27.089 1.00 0.00 C ATOM 1769 C LEU D 46 104.114 1.637 -28.466 1.00 0.00 C ATOM 1770 O LEU D 46 104.862 1.543 -29.441 1.00 0.00 O ATOM 1771 CB LEU D 46 104.459 -0.334 -26.933 1.00 0.00 C ATOM 1772 CG LEU D 46 103.105 -0.821 -27.532 1.00 0.00 C ATOM 1773 CD1 LEU D 46 103.277 -1.225 -29.021 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.581 -2.032 -26.733 1.00 0.00 C ATOM 0 H LEU D 46 103.630 1.327 -25.239 1.00 0.00 H new ATOM 0 HA LEU D 46 105.682 1.453 -27.021 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.284 -0.843 -27.431 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.510 -0.602 -25.878 1.00 0.00 H new ATOM 0 HG LEU D 46 102.389 -0.001 -27.468 1.00 0.00 H new ATOM 0 HD11 LEU D 46 102.320 -1.562 -29.419 1.00 0.00 H new ATOM 0 HD12 LEU D 46 103.626 -0.365 -29.593 1.00 0.00 H new ATOM 0 HD13 LEU D 46 104.006 -2.032 -29.097 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.635 -2.366 -27.158 1.00 0.00 H new ATOM 0 HD22 LEU D 46 103.308 -2.843 -26.783 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.430 -1.744 -25.693 1.00 0.00 H new ATOM 1786 N ASN D 47 102.888 2.109 -28.583 1.00 0.00 N ATOM 1787 CA ASN D 47 102.370 2.539 -29.889 1.00 0.00 C ATOM 1788 C ASN D 47 102.989 3.855 -30.399 1.00 0.00 C ATOM 1789 O ASN D 47 103.088 4.057 -31.606 1.00 0.00 O ATOM 1790 CB ASN D 47 100.851 2.712 -29.799 1.00 0.00 C ATOM 1791 CG ASN D 47 100.198 1.411 -29.346 1.00 0.00 C ATOM 1792 OD1 ASN D 47 100.223 0.417 -30.072 1.00 0.00 O ATOM 1793 ND2 ASN D 47 99.612 1.357 -28.182 1.00 0.00 N ATOM 0 H ASN D 47 102.232 2.208 -27.808 1.00 0.00 H new ATOM 0 HA ASN D 47 102.644 1.761 -30.601 1.00 0.00 H new ATOM 0 HB2 ASN D 47 100.610 3.511 -29.098 1.00 0.00 H new ATOM 0 HB3 ASN D 47 100.453 3.008 -30.770 1.00 0.00 H new ATOM 0 HD21 ASN D 47 99.173 0.490 -27.872 1.00 0.00 H new ATOM 0 HD22 ASN D 47 99.592 2.182 -27.582 1.00 0.00 H new ATOM 1800 N GLN D 48 103.400 4.729 -29.511 1.00 0.00 N ATOM 1801 CA GLN D 48 103.998 5.999 -29.923 1.00 0.00 C ATOM 1802 C GLN D 48 105.250 5.747 -30.751 1.00 0.00 C ATOM 1803 O GLN D 48 105.380 6.243 -31.870 1.00 0.00 O ATOM 1804 CB GLN D 48 104.370 6.844 -28.699 1.00 0.00 C ATOM 1805 CG GLN D 48 103.220 6.848 -27.689 1.00 0.00 C ATOM 1806 CD GLN D 48 101.921 7.231 -28.378 1.00 0.00 C ATOM 1807 OE1 GLN D 48 101.312 6.348 -29.122 1.00 0.00 O flip ATOM 1808 NE2 GLN D 48 101.454 8.361 -28.235 1.00 0.00 N flip ATOM 0 H GLN D 48 103.337 4.595 -28.502 1.00 0.00 H new ATOM 0 HA GLN D 48 103.264 6.538 -30.522 1.00 0.00 H new ATOM 0 HB2 GLN D 48 105.271 6.445 -28.233 1.00 0.00 H new ATOM 0 HB3 GLN D 48 104.596 7.865 -29.008 1.00 0.00 H new ATOM 0 HG2 GLN D 48 103.122 5.863 -27.234 1.00 0.00 H new ATOM 0 HG3 GLN D 48 103.435 7.551 -26.884 1.00 0.00 H new ATOM 0 HE21 GLN D 48 101.938 9.043 -27.651 1.00 0.00 H new ATOM 0 HE22 GLN D 48 100.583 8.615 -28.700 1.00 0.00 H new ATOM 1817 N ILE D 49 106.153 4.982 -30.200 1.00 0.00 N ATOM 1818 CA ILE D 49 107.398 4.662 -30.889 1.00 0.00 C ATOM 1819 C ILE D 49 107.121 4.323 -32.353 1.00 0.00 C ATOM 1820 O ILE D 49 107.235 5.179 -33.229 1.00 0.00 O ATOM 1821 CB ILE D 49 108.085 3.483 -30.199 1.00 0.00 C ATOM 1822 CG1 ILE D 49 108.445 3.881 -28.764 1.00 0.00 C ATOM 1823 CG2 ILE D 49 109.357 3.111 -30.961 1.00 0.00 C ATOM 1824 CD1 ILE D 49 108.884 2.642 -27.983 1.00 0.00 C ATOM 0 H ILE D 49 106.060 4.563 -29.275 1.00 0.00 H new ATOM 0 HA ILE D 49 108.056 5.530 -30.850 1.00 0.00 H new ATOM 0 HB ILE D 49 107.412 2.625 -30.185 1.00 0.00 H new ATOM 0 HG12 ILE D 49 109.245 4.621 -28.771 1.00 0.00 H new ATOM 0 HG13 ILE D 49 107.586 4.344 -28.278 1.00 0.00 H new ATOM 0 HG21 ILE D 49 109.844 2.271 -30.467 1.00 0.00 H new ATOM 0 HG22 ILE D 49 109.100 2.832 -31.983 1.00 0.00 H new ATOM 0 HG23 ILE D 49 110.034 3.965 -30.977 1.00 0.00 H new ATOM 0 HD11 ILE D 49 109.140 2.927 -26.962 1.00 0.00 H new ATOM 0 HD12 ILE D 49 108.071 1.917 -27.964 1.00 0.00 H new ATOM 0 HD13 ILE D 49 109.755 2.198 -28.465 1.00 0.00 H new ATOM 1836 N LYS D 50 106.765 3.093 -32.605 1.00 0.00 N ATOM 1837 CA LYS D 50 106.477 2.660 -33.967 1.00 0.00 C ATOM 1838 C LYS D 50 105.461 3.589 -34.631 1.00 0.00 C ATOM 1839 O LYS D 50 105.636 3.988 -35.782 1.00 0.00 O ATOM 1840 CB LYS D 50 105.927 1.228 -33.952 1.00 0.00 C ATOM 1841 CG LYS D 50 105.957 0.631 -35.374 1.00 0.00 C ATOM 1842 CD LYS D 50 107.332 0.016 -35.664 1.00 0.00 C ATOM 1843 CE LYS D 50 107.302 -0.668 -37.032 1.00 0.00 C ATOM 1844 NZ LYS D 50 108.653 -1.217 -37.339 1.00 0.00 N ATOM 0 H LYS D 50 106.664 2.367 -31.896 1.00 0.00 H new ATOM 0 HA LYS D 50 107.404 2.692 -34.539 1.00 0.00 H new ATOM 0 HB2 LYS D 50 106.520 0.610 -33.278 1.00 0.00 H new ATOM 0 HB3 LYS D 50 104.906 1.227 -33.571 1.00 0.00 H new ATOM 0 HG2 LYS D 50 105.183 -0.130 -35.473 1.00 0.00 H new ATOM 0 HG3 LYS D 50 105.736 1.407 -36.107 1.00 0.00 H new ATOM 0 HD2 LYS D 50 108.100 0.790 -35.648 1.00 0.00 H new ATOM 0 HD3 LYS D 50 107.591 -0.706 -34.889 1.00 0.00 H new ATOM 0 HE2 LYS D 50 106.562 -1.469 -37.035 1.00 0.00 H new ATOM 0 HE3 LYS D 50 107.003 0.044 -37.801 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 108.635 -1.683 -38.269 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 109.347 -0.443 -37.353 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 108.920 -1.909 -36.610 1.00 0.00 H new ATOM 1858 N ARG D 51 104.421 3.926 -33.915 1.00 0.00 N ATOM 1859 CA ARG D 51 103.390 4.811 -34.455 1.00 0.00 C ATOM 1860 C ARG D 51 102.686 4.149 -35.640 1.00 0.00 C ATOM 1861 O ARG D 51 101.522 3.758 -35.542 1.00 0.00 O ATOM 1862 CB ARG D 51 104.025 6.143 -34.892 1.00 0.00 C ATOM 1863 CG ARG D 51 102.996 7.278 -34.804 1.00 0.00 C ATOM 1864 CD ARG D 51 101.823 6.991 -35.744 1.00 0.00 C ATOM 1865 NE ARG D 51 101.059 8.210 -35.982 1.00 0.00 N ATOM 1866 CZ ARG D 51 101.549 9.184 -36.700 1.00 0.00 C ATOM 1867 NH1 ARG D 51 102.740 9.074 -37.223 1.00 0.00 N ATOM 1868 NH2 ARG D 51 100.848 10.267 -36.895 1.00 0.00 N ATOM 0 H ARG D 51 104.254 3.610 -32.960 1.00 0.00 H new ATOM 0 HA ARG D 51 102.650 5.005 -33.679 1.00 0.00 H new ATOM 0 HB2 ARG D 51 104.882 6.370 -34.258 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.397 6.059 -35.913 1.00 0.00 H new ATOM 0 HG2 ARG D 51 102.637 7.376 -33.780 1.00 0.00 H new ATOM 0 HG3 ARG D 51 103.463 8.226 -35.070 1.00 0.00 H new ATOM 0 HD2 ARG D 51 102.194 6.595 -36.689 1.00 0.00 H new ATOM 0 HD3 ARG D 51 101.178 6.228 -35.310 1.00 0.00 H new ATOM 0 HE ARG D 51 100.126 8.303 -35.581 1.00 0.00 H new ATOM 0 HH11 ARG D 51 103.288 8.227 -37.071 1.00 0.00 H new ATOM 0 HH12 ARG D 51 103.123 9.835 -37.784 1.00 0.00 H new ATOM 0 HH21 ARG D 51 99.917 10.353 -36.486 1.00 0.00 H new ATOM 0 HH22 ARG D 51 101.231 11.028 -37.456 1.00 0.00 H new ATOM 1882 N GLY D 52 103.383 4.030 -36.736 1.00 0.00 N ATOM 1883 CA GLY D 52 102.813 3.415 -37.929 1.00 0.00 C ATOM 1884 C GLY D 52 101.484 4.066 -38.294 1.00 0.00 C ATOM 0 H GLY D 52 104.347 4.347 -36.840 1.00 0.00 H new ATOM 0 HA2 GLY D 52 103.510 3.511 -38.761 1.00 0.00 H new ATOM 0 HA3 GLY D 52 102.665 2.349 -37.758 1.00 0.00 H new