USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 993 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 47 ASN :FLIP amide:sc= 0.0406 F(o=-18!,f=-12) USER MOD Set 1.2: D 48 GLN : amide:sc= -12.4! C(o=-12!,f=-18!) USER MOD Set 2.1: A 45 HIS : no HE2:sc= -1.64 X(o=-5.5,f=-5.9) USER MOD Set 2.2: A 48 GLN : amide:sc= -3.83! C(o=-5.5!,f=-5.5!) USER MOD Single : A 23 SER OG : rot -64:sc= 1.06 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -8.01! C(o=-8!,f=-11!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -0.0971 (180deg=-0.553) USER MOD Single : B 23 SER OG : rot 66:sc= 0.628 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HE2:sc= -2.56! C(o=-2.6!,f=-8.7!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -2.55 X(o=-2.6,f=-3!) USER MOD Single : B 47 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 48 GLN : amide:sc= -6.52! C(o=-6.5!,f=-8.2!) USER MOD Single : B 50 LYS NZ :NH3+ -126:sc= -0.047 (180deg=-0.479) USER MOD Single : C 23 SER OG : rot -60:sc= 0.128 USER MOD Single : C 31 SER OG : rot 180:sc= -0.599 USER MOD Single : C 37 HIS : no HD1:sc= -8.6! C(o=-8.6!,f=-13!) USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.05) USER MOD Single : C 48 GLN : amide:sc= -0.768 K(o=-0.77,f=-7.1!) USER MOD Single : C 50 LYS NZ :NH3+ -111:sc= -9.22! (180deg=-13.9!) USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot -161:sc= -0.715 USER MOD Single : D 37 HIS : no HD1:sc= -7.01! C(o=-7!,f=-11!) USER MOD Single : D 42 THR OG1 : rot -75:sc= 1.17 USER MOD Single : D 45 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.18) USER MOD Single : D 47 ASN : amide:sc= -0.0513 K(o=-0.051,f=-2.4!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 23 76.198 2.333 5.715 1.00 0.00 N ATOM 2 CA SER A 23 77.243 1.294 5.930 1.00 0.00 C ATOM 3 C SER A 23 78.388 1.515 4.946 1.00 0.00 C ATOM 4 O SER A 23 78.906 0.565 4.358 1.00 0.00 O ATOM 5 CB SER A 23 76.631 -0.091 5.717 1.00 0.00 C ATOM 6 OG SER A 23 77.663 -1.070 5.737 1.00 0.00 O ATOM 0 HA SER A 23 77.628 1.363 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 23 75.899 -0.302 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 23 76.101 -0.124 4.765 1.00 0.00 H new ATOM 0 HG SER A 23 78.272 -0.918 4.985 1.00 0.00 H new ATOM 11 N ASP A 24 78.775 2.753 4.778 1.00 0.00 N ATOM 12 CA ASP A 24 79.860 3.087 3.872 1.00 0.00 C ATOM 13 C ASP A 24 79.656 2.415 2.522 1.00 0.00 C ATOM 14 O ASP A 24 80.557 1.753 2.007 1.00 0.00 O ATOM 15 CB ASP A 24 81.195 2.638 4.472 1.00 0.00 C ATOM 16 CG ASP A 24 81.476 3.409 5.757 1.00 0.00 C ATOM 17 OD1 ASP A 24 80.756 3.199 6.720 1.00 0.00 O ATOM 18 OD2 ASP A 24 82.406 4.198 5.760 1.00 0.00 O ATOM 0 H ASP A 24 78.358 3.553 5.255 1.00 0.00 H new ATOM 0 HA ASP A 24 79.870 4.167 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 24 81.168 1.568 4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 24 81.999 2.804 3.755 1.00 0.00 H new ATOM 23 N PRO A 25 78.499 2.576 1.938 1.00 0.00 N ATOM 24 CA PRO A 25 78.188 1.974 0.614 1.00 0.00 C ATOM 25 C PRO A 25 79.006 2.641 -0.486 1.00 0.00 C ATOM 26 O PRO A 25 79.262 2.056 -1.535 1.00 0.00 O ATOM 27 CB PRO A 25 76.683 2.238 0.439 1.00 0.00 C ATOM 28 CG PRO A 25 76.407 3.445 1.276 1.00 0.00 C ATOM 29 CD PRO A 25 77.364 3.355 2.467 1.00 0.00 C ATOM 0 HA PRO A 25 78.432 0.913 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.432 2.416 -0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.091 1.384 0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 25 76.574 4.361 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.369 3.461 1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 25 77.678 4.342 2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.899 2.859 3.319 1.00 0.00 H new ATOM 37 N LEU A 26 79.376 3.866 -0.252 1.00 0.00 N ATOM 38 CA LEU A 26 80.140 4.619 -1.242 1.00 0.00 C ATOM 39 C LEU A 26 81.538 4.013 -1.450 1.00 0.00 C ATOM 40 O LEU A 26 82.004 3.883 -2.582 1.00 0.00 O ATOM 41 CB LEU A 26 80.244 6.099 -0.790 1.00 0.00 C ATOM 42 CG LEU A 26 79.834 7.055 -1.924 1.00 0.00 C ATOM 43 CD1 LEU A 26 79.761 8.485 -1.382 1.00 0.00 C ATOM 44 CD2 LEU A 26 80.867 6.991 -3.055 1.00 0.00 C ATOM 0 H LEU A 26 79.169 4.376 0.607 1.00 0.00 H new ATOM 0 HA LEU A 26 79.621 4.568 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 26 79.605 6.263 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 26 81.266 6.316 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 26 78.859 6.759 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 26 79.471 9.164 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 26 79.023 8.533 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 26 80.737 8.778 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 26 80.572 7.669 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 81.844 7.284 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 26 80.920 5.974 -3.443 1.00 0.00 H new ATOM 56 N VAL A 27 82.196 3.669 -0.374 1.00 0.00 N ATOM 57 CA VAL A 27 83.546 3.103 -0.453 1.00 0.00 C ATOM 58 C VAL A 27 83.564 1.759 -1.189 1.00 0.00 C ATOM 59 O VAL A 27 84.442 1.513 -2.015 1.00 0.00 O ATOM 60 CB VAL A 27 84.116 2.914 0.964 1.00 0.00 C ATOM 61 CG1 VAL A 27 85.591 2.486 0.895 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.021 4.234 1.737 1.00 0.00 C ATOM 0 H VAL A 27 81.832 3.765 0.574 1.00 0.00 H new ATOM 0 HA VAL A 27 84.161 3.804 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 27 83.538 2.140 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 27 85.980 2.356 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 27 85.672 1.545 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.169 3.253 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 27 84.425 4.098 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 27 84.593 5.002 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 27 82.978 4.542 1.805 1.00 0.00 H new ATOM 72 N VAL A 28 82.632 0.896 -0.877 1.00 0.00 N ATOM 73 CA VAL A 28 82.590 -0.422 -1.513 1.00 0.00 C ATOM 74 C VAL A 28 82.152 -0.349 -2.977 1.00 0.00 C ATOM 75 O VAL A 28 82.724 -1.020 -3.833 1.00 0.00 O ATOM 76 CB VAL A 28 81.662 -1.371 -0.730 1.00 0.00 C ATOM 77 CG1 VAL A 28 80.195 -1.060 -1.029 1.00 0.00 C ATOM 78 CG2 VAL A 28 81.958 -2.818 -1.131 1.00 0.00 C ATOM 0 H VAL A 28 81.893 1.067 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 28 83.607 -0.815 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 28 81.843 -1.232 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 28 79.557 -1.741 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 28 79.974 -0.033 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 28 80.007 -1.184 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.302 -3.490 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 28 81.786 -2.942 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.997 -3.054 -0.901 1.00 0.00 H new ATOM 88 N ALA A 29 81.142 0.432 -3.249 1.00 0.00 N ATOM 89 CA ALA A 29 80.608 0.566 -4.602 1.00 0.00 C ATOM 90 C ALA A 29 81.547 1.311 -5.544 1.00 0.00 C ATOM 91 O ALA A 29 81.477 1.118 -6.756 1.00 0.00 O ATOM 92 CB ALA A 29 79.265 1.296 -4.554 1.00 0.00 C ATOM 0 H ALA A 29 80.659 0.997 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 29 80.489 -0.444 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.868 1.395 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.564 0.728 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.404 2.286 -4.120 1.00 0.00 H new ATOM 98 N ALA A 30 82.389 2.162 -5.031 1.00 0.00 N ATOM 99 CA ALA A 30 83.275 2.900 -5.905 1.00 0.00 C ATOM 100 C ALA A 30 84.326 1.970 -6.498 1.00 0.00 C ATOM 101 O ALA A 30 84.666 2.081 -7.677 1.00 0.00 O ATOM 102 CB ALA A 30 83.928 4.027 -5.128 1.00 0.00 C ATOM 0 H ALA A 30 82.486 2.364 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 30 82.701 3.327 -6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.596 4.583 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.159 4.696 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.499 3.613 -4.297 1.00 0.00 H new ATOM 108 N SER A 31 84.829 1.064 -5.699 1.00 0.00 N ATOM 109 CA SER A 31 85.837 0.118 -6.164 1.00 0.00 C ATOM 110 C SER A 31 85.256 -0.839 -7.200 1.00 0.00 C ATOM 111 O SER A 31 85.981 -1.356 -8.050 1.00 0.00 O ATOM 112 CB SER A 31 86.380 -0.681 -4.980 1.00 0.00 C ATOM 113 OG SER A 31 87.429 -1.528 -5.428 1.00 0.00 O ATOM 0 H SER A 31 84.563 0.953 -4.720 1.00 0.00 H new ATOM 0 HA SER A 31 86.644 0.683 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.747 -0.005 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 31 85.584 -1.275 -4.531 1.00 0.00 H new ATOM 0 HG SER A 31 87.781 -2.041 -4.671 1.00 0.00 H new ATOM 119 N ILE A 32 83.975 -1.091 -7.115 1.00 0.00 N ATOM 120 CA ILE A 32 83.332 -2.016 -8.045 1.00 0.00 C ATOM 121 C ILE A 32 83.750 -1.693 -9.479 1.00 0.00 C ATOM 122 O ILE A 32 84.192 -2.580 -10.208 1.00 0.00 O ATOM 123 CB ILE A 32 81.801 -1.944 -7.875 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.420 -2.632 -6.550 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.088 -2.643 -9.039 1.00 0.00 C ATOM 126 CD1 ILE A 32 79.901 -2.587 -6.325 1.00 0.00 C ATOM 0 H ILE A 32 83.351 -0.678 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 32 83.651 -3.035 -7.826 1.00 0.00 H new ATOM 0 HB ILE A 32 81.492 -0.899 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.759 -3.668 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.929 -2.140 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.009 -2.579 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.360 -2.157 -9.976 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.388 -3.690 -9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.658 -3.079 -5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 32 79.569 -1.549 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.397 -3.101 -7.143 1.00 0.00 H new ATOM 138 N ILE A 33 83.647 -0.451 -9.874 1.00 0.00 N ATOM 139 CA ILE A 33 84.061 -0.080 -11.224 1.00 0.00 C ATOM 140 C ILE A 33 85.540 -0.417 -11.406 1.00 0.00 C ATOM 141 O ILE A 33 85.950 -0.975 -12.423 1.00 0.00 O ATOM 142 CB ILE A 33 83.856 1.424 -11.461 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.394 1.807 -11.190 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.207 1.755 -12.912 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.239 3.336 -11.235 1.00 0.00 C ATOM 0 H ILE A 33 83.289 0.315 -9.303 1.00 0.00 H new ATOM 0 HA ILE A 33 83.455 -0.635 -11.940 1.00 0.00 H new ATOM 0 HB ILE A 33 84.501 1.985 -10.785 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.744 1.344 -11.932 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.084 1.429 -10.216 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.064 2.821 -13.087 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.247 1.493 -13.104 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.560 1.187 -13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.200 3.602 -11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.877 3.789 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.531 3.702 -12.219 1.00 0.00 H new ATOM 157 N GLY A 34 86.322 -0.044 -10.433 1.00 0.00 N ATOM 158 CA GLY A 34 87.764 -0.268 -10.483 1.00 0.00 C ATOM 159 C GLY A 34 88.105 -1.709 -10.867 1.00 0.00 C ATOM 160 O GLY A 34 88.893 -1.939 -11.783 1.00 0.00 O ATOM 0 H GLY A 34 85.996 0.420 -9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.213 0.416 -11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.201 -0.038 -9.511 1.00 0.00 H new ATOM 164 N ILE A 35 87.525 -2.661 -10.191 1.00 0.00 N ATOM 165 CA ILE A 35 87.795 -4.065 -10.500 1.00 0.00 C ATOM 166 C ILE A 35 87.162 -4.455 -11.834 1.00 0.00 C ATOM 167 O ILE A 35 87.670 -5.320 -12.547 1.00 0.00 O ATOM 168 CB ILE A 35 87.251 -4.966 -9.392 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.880 -4.561 -8.058 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.605 -6.423 -9.701 1.00 0.00 C ATOM 171 CD1 ILE A 35 87.194 -5.317 -6.920 1.00 0.00 C ATOM 0 H ILE A 35 86.866 -2.508 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 35 88.875 -4.195 -10.571 1.00 0.00 H new ATOM 0 HB ILE A 35 86.168 -4.860 -9.333 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.947 -4.783 -8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.779 -3.486 -7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 35 87.218 -7.067 -8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 35 87.162 -6.711 -10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.688 -6.530 -9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.642 -5.028 -5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 35 86.132 -5.073 -6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 35 87.318 -6.390 -7.069 1.00 0.00 H new ATOM 183 N LEU A 36 86.064 -3.829 -12.145 1.00 0.00 N ATOM 184 CA LEU A 36 85.343 -4.112 -13.382 1.00 0.00 C ATOM 185 C LEU A 36 86.221 -3.865 -14.610 1.00 0.00 C ATOM 186 O LEU A 36 86.079 -4.543 -15.628 1.00 0.00 O ATOM 187 CB LEU A 36 84.101 -3.211 -13.451 1.00 0.00 C ATOM 188 CG LEU A 36 83.135 -3.698 -14.547 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.268 -4.854 -14.027 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.219 -2.541 -14.969 1.00 0.00 C ATOM 0 H LEU A 36 85.634 -3.111 -11.562 1.00 0.00 H new ATOM 0 HA LEU A 36 85.054 -5.163 -13.382 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.593 -3.209 -12.487 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.402 -2.183 -13.655 1.00 0.00 H new ATOM 0 HG LEU A 36 83.721 -4.046 -15.398 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.592 -5.185 -14.815 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.909 -5.683 -13.727 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.687 -4.516 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.534 -2.883 -15.745 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.648 -2.196 -14.107 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.824 -1.720 -15.355 1.00 0.00 H new ATOM 202 N HIS A 37 87.094 -2.898 -14.520 1.00 0.00 N ATOM 203 CA HIS A 37 87.967 -2.558 -15.643 1.00 0.00 C ATOM 204 C HIS A 37 89.055 -3.609 -15.895 1.00 0.00 C ATOM 205 O HIS A 37 89.510 -3.772 -17.027 1.00 0.00 O ATOM 206 CB HIS A 37 88.590 -1.164 -15.418 1.00 0.00 C ATOM 207 CG HIS A 37 89.821 -1.221 -14.537 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.853 -2.130 -14.731 1.00 0.00 N ATOM 209 CD2 HIS A 37 90.205 -0.454 -13.463 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.794 -1.886 -13.802 1.00 0.00 C ATOM 211 NE2 HIS A 37 91.449 -0.876 -13.002 1.00 0.00 N ATOM 0 H HIS A 37 87.230 -2.324 -13.688 1.00 0.00 H new ATOM 0 HA HIS A 37 87.349 -2.541 -16.541 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.855 -0.727 -16.381 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.850 -0.507 -14.962 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.628 0.355 -13.040 1.00 0.00 H new ATOM 0 HE1 HIS A 37 92.717 -2.440 -13.714 1.00 0.00 H new ATOM 0 HE2 HIS A 37 91.982 -0.495 -12.220 1.00 0.00 H new ATOM 220 N PHE A 38 89.494 -4.274 -14.860 1.00 0.00 N ATOM 221 CA PHE A 38 90.569 -5.263 -15.002 1.00 0.00 C ATOM 222 C PHE A 38 90.234 -6.342 -16.037 1.00 0.00 C ATOM 223 O PHE A 38 91.043 -6.626 -16.920 1.00 0.00 O ATOM 224 CB PHE A 38 90.859 -5.922 -13.649 1.00 0.00 C ATOM 225 CG PHE A 38 91.929 -6.979 -13.819 1.00 0.00 C ATOM 226 CD1 PHE A 38 93.266 -6.599 -14.006 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.586 -8.338 -13.796 1.00 0.00 C ATOM 228 CE1 PHE A 38 94.255 -7.578 -14.170 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.576 -9.313 -13.960 1.00 0.00 C ATOM 230 CZ PHE A 38 93.910 -8.934 -14.147 1.00 0.00 C ATOM 0 H PHE A 38 89.138 -4.162 -13.911 1.00 0.00 H new ATOM 0 HA PHE A 38 91.452 -4.730 -15.354 1.00 0.00 H new ATOM 0 HB2 PHE A 38 91.186 -5.171 -12.930 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.950 -6.371 -13.249 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.533 -5.553 -14.024 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.557 -8.633 -13.652 1.00 0.00 H new ATOM 0 HE1 PHE A 38 95.285 -7.286 -14.314 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.310 -10.360 -13.942 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.673 -9.688 -14.274 1.00 0.00 H new ATOM 240 N ILE A 39 89.081 -6.942 -15.924 1.00 0.00 N ATOM 241 CA ILE A 39 88.697 -7.998 -16.862 1.00 0.00 C ATOM 242 C ILE A 39 88.740 -7.484 -18.301 1.00 0.00 C ATOM 243 O ILE A 39 89.023 -8.239 -19.229 1.00 0.00 O ATOM 244 CB ILE A 39 87.285 -8.519 -16.538 1.00 0.00 C ATOM 245 CG1 ILE A 39 87.293 -9.286 -15.200 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.819 -9.470 -17.651 1.00 0.00 C ATOM 247 CD1 ILE A 39 87.333 -8.311 -14.017 1.00 0.00 C ATOM 0 H ILE A 39 88.388 -6.732 -15.206 1.00 0.00 H new ATOM 0 HA ILE A 39 89.410 -8.816 -16.760 1.00 0.00 H new ATOM 0 HB ILE A 39 86.608 -7.668 -16.464 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.405 -9.914 -15.130 1.00 0.00 H new ATOM 0 HG13 ILE A 39 88.157 -9.949 -15.160 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.819 -9.838 -17.420 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.799 -8.936 -18.601 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.508 -10.312 -17.723 1.00 0.00 H new ATOM 0 HD11 ILE A 39 87.338 -8.872 -13.083 1.00 0.00 H new ATOM 0 HD12 ILE A 39 88.234 -7.701 -14.079 1.00 0.00 H new ATOM 0 HD13 ILE A 39 86.455 -7.666 -14.048 1.00 0.00 H new ATOM 259 N ALA A 40 88.471 -6.222 -18.474 1.00 0.00 N ATOM 260 CA ALA A 40 88.497 -5.631 -19.805 1.00 0.00 C ATOM 261 C ALA A 40 89.932 -5.472 -20.301 1.00 0.00 C ATOM 262 O ALA A 40 90.190 -5.453 -21.498 1.00 0.00 O ATOM 263 CB ALA A 40 87.798 -4.272 -19.790 1.00 0.00 C ATOM 0 H ALA A 40 88.231 -5.575 -17.723 1.00 0.00 H new ATOM 0 HA ALA A 40 87.969 -6.299 -20.485 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.823 -3.839 -20.790 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.762 -4.399 -19.476 1.00 0.00 H new ATOM 0 HB3 ALA A 40 88.310 -3.607 -19.094 1.00 0.00 H new ATOM 269 N TRP A 41 90.835 -5.292 -19.381 1.00 0.00 N ATOM 270 CA TRP A 41 92.232 -5.065 -19.716 1.00 0.00 C ATOM 271 C TRP A 41 92.839 -6.208 -20.531 1.00 0.00 C ATOM 272 O TRP A 41 93.476 -5.979 -21.559 1.00 0.00 O ATOM 273 CB TRP A 41 93.014 -4.907 -18.410 1.00 0.00 C ATOM 274 CG TRP A 41 94.377 -4.379 -18.697 1.00 0.00 C ATOM 275 CD1 TRP A 41 95.347 -5.051 -19.358 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.943 -3.090 -18.330 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.468 -4.243 -19.439 1.00 0.00 N ATOM 278 CE2 TRP A 41 96.267 -3.026 -18.817 1.00 0.00 C ATOM 279 CE3 TRP A 41 94.438 -1.976 -17.633 1.00 0.00 C ATOM 280 CZ2 TRP A 41 97.062 -1.897 -18.620 1.00 0.00 C ATOM 281 CZ3 TRP A 41 95.240 -0.840 -17.428 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.549 -0.802 -17.924 1.00 0.00 C ATOM 0 H TRP A 41 90.637 -5.296 -18.380 1.00 0.00 H new ATOM 0 HA TRP A 41 92.291 -4.168 -20.333 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.486 -4.230 -17.739 1.00 0.00 H new ATOM 0 HB3 TRP A 41 93.086 -5.868 -17.901 1.00 0.00 H new ATOM 0 HD1 TRP A 41 95.261 -6.051 -19.756 1.00 0.00 H new ATOM 0 HE1 TRP A 41 97.336 -4.513 -19.901 1.00 0.00 H new ATOM 0 HE3 TRP A 41 93.427 -1.994 -17.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 98.071 -1.871 -19.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.845 0.007 -16.886 1.00 0.00 H new ATOM 0 HH2 TRP A 41 97.161 0.074 -17.768 1.00 0.00 H new ATOM 293 N THR A 42 92.683 -7.404 -20.050 1.00 0.00 N ATOM 294 CA THR A 42 93.261 -8.578 -20.707 1.00 0.00 C ATOM 295 C THR A 42 92.940 -8.654 -22.203 1.00 0.00 C ATOM 296 O THR A 42 93.816 -8.992 -23.000 1.00 0.00 O ATOM 297 CB THR A 42 92.776 -9.856 -20.016 1.00 0.00 C ATOM 298 OG1 THR A 42 92.925 -10.957 -20.902 1.00 0.00 O ATOM 299 CG2 THR A 42 91.307 -9.702 -19.636 1.00 0.00 C ATOM 0 H THR A 42 92.159 -7.612 -19.200 1.00 0.00 H new ATOM 0 HA THR A 42 94.343 -8.481 -20.617 1.00 0.00 H new ATOM 0 HB THR A 42 93.366 -10.031 -19.117 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.617 -11.776 -20.461 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.961 -10.611 -19.144 1.00 0.00 H new ATOM 0 HG22 THR A 42 91.193 -8.857 -18.957 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.715 -9.528 -20.535 1.00 0.00 H new ATOM 307 N ILE A 43 91.721 -8.375 -22.591 1.00 0.00 N ATOM 308 CA ILE A 43 91.372 -8.466 -24.011 1.00 0.00 C ATOM 309 C ILE A 43 92.104 -7.406 -24.841 1.00 0.00 C ATOM 310 O ILE A 43 92.645 -7.715 -25.900 1.00 0.00 O ATOM 311 CB ILE A 43 89.850 -8.355 -24.217 1.00 0.00 C ATOM 312 CG1 ILE A 43 89.289 -7.170 -23.432 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.175 -9.638 -23.728 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.840 -6.918 -23.855 1.00 0.00 C ATOM 0 H ILE A 43 90.962 -8.089 -21.973 1.00 0.00 H new ATOM 0 HA ILE A 43 91.696 -9.447 -24.360 1.00 0.00 H new ATOM 0 HB ILE A 43 89.652 -8.207 -25.279 1.00 0.00 H new ATOM 0 HG12 ILE A 43 89.337 -7.373 -22.362 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.892 -6.281 -23.615 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.098 -9.560 -23.873 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.557 -10.488 -24.293 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.389 -9.781 -22.669 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.439 -6.073 -23.295 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.806 -6.696 -24.922 1.00 0.00 H new ATOM 0 HD13 ILE A 43 87.241 -7.806 -23.650 1.00 0.00 H new ATOM 326 N GLY A 44 92.116 -6.187 -24.376 1.00 0.00 N ATOM 327 CA GLY A 44 92.783 -5.105 -25.104 1.00 0.00 C ATOM 328 C GLY A 44 94.289 -5.340 -25.198 1.00 0.00 C ATOM 329 O GLY A 44 94.937 -4.912 -26.153 1.00 0.00 O ATOM 0 H GLY A 44 91.677 -5.903 -23.500 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.363 -5.026 -26.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.592 -4.156 -24.603 1.00 0.00 H new ATOM 333 N HIS A 45 94.825 -6.004 -24.218 1.00 0.00 N ATOM 334 CA HIS A 45 96.252 -6.288 -24.187 1.00 0.00 C ATOM 335 C HIS A 45 96.716 -6.869 -25.520 1.00 0.00 C ATOM 336 O HIS A 45 97.893 -6.781 -25.870 1.00 0.00 O ATOM 337 CB HIS A 45 96.579 -7.260 -23.058 1.00 0.00 C ATOM 338 CG HIS A 45 98.073 -7.396 -22.938 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.695 -8.617 -22.726 1.00 0.00 N ATOM 340 CD2 HIS A 45 99.085 -6.467 -23.000 1.00 0.00 C ATOM 341 CE1 HIS A 45 100.021 -8.392 -22.671 1.00 0.00 C ATOM 342 NE2 HIS A 45 100.313 -7.098 -22.832 1.00 0.00 N ATOM 0 H HIS A 45 94.303 -6.366 -23.420 1.00 0.00 H new ATOM 0 HA HIS A 45 96.779 -5.350 -24.011 1.00 0.00 H new ATOM 0 HB2 HIS A 45 96.158 -6.900 -22.119 1.00 0.00 H new ATOM 0 HB3 HIS A 45 96.128 -8.232 -23.257 1.00 0.00 H new ATOM 0 HD1 HIS A 45 98.232 -9.521 -22.629 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.947 -5.407 -23.156 1.00 0.00 H new ATOM 0 HE1 HIS A 45 100.760 -9.164 -22.515 1.00 0.00 H new ATOM 351 N LEU A 46 95.815 -7.507 -26.217 1.00 0.00 N ATOM 352 CA LEU A 46 96.158 -8.167 -27.474 1.00 0.00 C ATOM 353 C LEU A 46 97.047 -7.287 -28.358 1.00 0.00 C ATOM 354 O LEU A 46 97.854 -7.810 -29.126 1.00 0.00 O ATOM 355 CB LEU A 46 94.859 -8.553 -28.232 1.00 0.00 C ATOM 356 CG LEU A 46 94.325 -7.365 -29.085 1.00 0.00 C ATOM 357 CD1 LEU A 46 94.944 -7.381 -30.507 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.787 -7.446 -29.196 1.00 0.00 C ATOM 0 H LEU A 46 94.835 -7.591 -25.947 1.00 0.00 H new ATOM 0 HA LEU A 46 96.726 -9.067 -27.237 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.054 -9.409 -28.879 1.00 0.00 H new ATOM 0 HB3 LEU A 46 94.096 -8.861 -27.517 1.00 0.00 H new ATOM 0 HG LEU A 46 94.610 -6.437 -28.590 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.555 -6.541 -31.083 1.00 0.00 H new ATOM 0 HD12 LEU A 46 96.028 -7.299 -30.433 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.684 -8.314 -31.006 1.00 0.00 H new ATOM 0 HD21 LEU A 46 92.421 -6.612 -29.794 1.00 0.00 H new ATOM 0 HD22 LEU A 46 92.506 -8.385 -29.673 1.00 0.00 H new ATOM 0 HD23 LEU A 46 92.347 -7.399 -28.200 1.00 0.00 H new ATOM 370 N ASN A 47 96.920 -5.991 -28.269 1.00 0.00 N ATOM 371 CA ASN A 47 97.755 -5.127 -29.102 1.00 0.00 C ATOM 372 C ASN A 47 99.239 -5.401 -28.829 1.00 0.00 C ATOM 373 O ASN A 47 100.013 -5.653 -29.752 1.00 0.00 O ATOM 374 CB ASN A 47 97.438 -3.659 -28.813 1.00 0.00 C ATOM 375 CG ASN A 47 95.932 -3.426 -28.903 1.00 0.00 C ATOM 376 OD1 ASN A 47 95.212 -4.234 -29.489 1.00 0.00 O ATOM 377 ND2 ASN A 47 95.410 -2.364 -28.352 1.00 0.00 N ATOM 0 H ASN A 47 96.269 -5.507 -27.650 1.00 0.00 H new ATOM 0 HA ASN A 47 97.543 -5.340 -30.150 1.00 0.00 H new ATOM 0 HB2 ASN A 47 97.798 -3.389 -27.820 1.00 0.00 H new ATOM 0 HB3 ASN A 47 97.957 -3.018 -29.526 1.00 0.00 H new ATOM 0 HD21 ASN A 47 94.404 -2.203 -28.407 1.00 0.00 H new ATOM 0 HD22 ASN A 47 96.008 -1.695 -27.867 1.00 0.00 H new ATOM 384 N GLN A 48 99.618 -5.346 -27.579 1.00 0.00 N ATOM 385 CA GLN A 48 101.011 -5.588 -27.205 1.00 0.00 C ATOM 386 C GLN A 48 101.495 -6.915 -27.784 1.00 0.00 C ATOM 387 O GLN A 48 102.491 -6.958 -28.505 1.00 0.00 O ATOM 388 CB GLN A 48 101.163 -5.609 -25.678 1.00 0.00 C ATOM 389 CG GLN A 48 102.650 -5.538 -25.297 1.00 0.00 C ATOM 390 CD GLN A 48 103.335 -6.872 -25.571 1.00 0.00 C ATOM 391 OE1 GLN A 48 103.084 -7.854 -24.874 1.00 0.00 O ATOM 392 NE2 GLN A 48 104.199 -6.965 -26.546 1.00 0.00 N ATOM 0 H GLN A 48 98.996 -5.138 -26.798 1.00 0.00 H new ATOM 0 HA GLN A 48 101.617 -4.778 -27.611 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.626 -4.768 -25.239 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.718 -6.518 -25.272 1.00 0.00 H new ATOM 0 HG2 GLN A 48 103.140 -4.747 -25.865 1.00 0.00 H new ATOM 0 HG3 GLN A 48 102.750 -5.281 -24.242 1.00 0.00 H new ATOM 0 HE21 GLN A 48 104.406 -6.150 -27.123 1.00 0.00 H new ATOM 0 HE22 GLN A 48 104.666 -7.853 -26.730 1.00 0.00 H new ATOM 401 N ILE A 49 100.801 -7.976 -27.468 1.00 0.00 N ATOM 402 CA ILE A 49 101.180 -9.298 -27.962 1.00 0.00 C ATOM 403 C ILE A 49 101.437 -9.259 -29.465 1.00 0.00 C ATOM 404 O ILE A 49 102.496 -9.680 -29.934 1.00 0.00 O ATOM 405 CB ILE A 49 100.063 -10.306 -27.675 1.00 0.00 C ATOM 406 CG1 ILE A 49 99.640 -10.220 -26.201 1.00 0.00 C ATOM 407 CG2 ILE A 49 100.556 -11.722 -27.983 1.00 0.00 C ATOM 408 CD1 ILE A 49 100.863 -10.349 -25.285 1.00 0.00 C ATOM 0 H ILE A 49 99.972 -7.964 -26.874 1.00 0.00 H new ATOM 0 HA ILE A 49 102.093 -9.601 -27.450 1.00 0.00 H new ATOM 0 HB ILE A 49 99.205 -10.073 -28.306 1.00 0.00 H new ATOM 0 HG12 ILE A 49 99.137 -9.271 -26.015 1.00 0.00 H new ATOM 0 HG13 ILE A 49 98.924 -11.010 -25.975 1.00 0.00 H new ATOM 0 HG21 ILE A 49 99.759 -12.437 -27.778 1.00 0.00 H new ATOM 0 HG22 ILE A 49 100.841 -11.788 -29.033 1.00 0.00 H new ATOM 0 HG23 ILE A 49 101.419 -11.951 -27.358 1.00 0.00 H new ATOM 0 HD11 ILE A 49 100.546 -10.286 -24.244 1.00 0.00 H new ATOM 0 HD12 ILE A 49 101.348 -11.309 -25.459 1.00 0.00 H new ATOM 0 HD13 ILE A 49 101.565 -9.543 -25.500 1.00 0.00 H new ATOM 420 N LYS A 50 100.481 -8.768 -30.203 1.00 0.00 N ATOM 421 CA LYS A 50 100.610 -8.691 -31.655 1.00 0.00 C ATOM 422 C LYS A 50 101.621 -7.613 -32.049 1.00 0.00 C ATOM 423 O LYS A 50 102.729 -7.923 -32.488 1.00 0.00 O ATOM 424 CB LYS A 50 99.236 -8.391 -32.283 1.00 0.00 C ATOM 425 CG LYS A 50 99.168 -8.953 -33.710 1.00 0.00 C ATOM 426 CD LYS A 50 100.223 -8.274 -34.589 1.00 0.00 C ATOM 427 CE LYS A 50 99.893 -8.514 -36.065 1.00 0.00 C ATOM 428 NZ LYS A 50 98.674 -7.741 -36.433 1.00 0.00 N ATOM 0 H LYS A 50 99.599 -8.412 -29.835 1.00 0.00 H new ATOM 0 HA LYS A 50 100.972 -9.649 -32.028 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.446 -8.831 -31.674 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.064 -7.315 -32.300 1.00 0.00 H new ATOM 0 HG2 LYS A 50 99.334 -10.030 -33.694 1.00 0.00 H new ATOM 0 HG3 LYS A 50 98.174 -8.790 -34.127 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.250 -7.204 -34.381 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.212 -8.669 -34.358 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.732 -8.210 -36.690 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.731 -9.577 -36.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.697 -7.519 -37.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.827 -8.307 -36.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.645 -6.857 -35.886 1.00 0.00 H new ATOM 442 N ARG A 51 101.238 -6.375 -31.898 1.00 0.00 N ATOM 443 CA ARG A 51 102.120 -5.267 -32.248 1.00 0.00 C ATOM 444 C ARG A 51 103.208 -5.092 -31.193 1.00 0.00 C ATOM 445 O ARG A 51 102.923 -4.761 -30.043 1.00 0.00 O ATOM 446 CB ARG A 51 101.309 -3.974 -32.371 1.00 0.00 C ATOM 447 CG ARG A 51 102.217 -2.840 -32.851 1.00 0.00 C ATOM 448 CD ARG A 51 101.391 -1.565 -33.024 1.00 0.00 C ATOM 449 NE ARG A 51 102.191 -0.529 -33.668 1.00 0.00 N ATOM 450 CZ ARG A 51 101.727 0.679 -33.826 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.535 0.982 -33.390 1.00 0.00 N ATOM 452 NH2 ARG A 51 102.456 1.587 -34.417 1.00 0.00 N ATOM 0 H ARG A 51 100.326 -6.096 -31.537 1.00 0.00 H new ATOM 0 HA ARG A 51 102.593 -5.491 -33.204 1.00 0.00 H new ATOM 0 HB2 ARG A 51 100.486 -4.115 -33.071 1.00 0.00 H new ATOM 0 HB3 ARG A 51 100.868 -3.717 -31.408 1.00 0.00 H new ATOM 0 HG2 ARG A 51 103.019 -2.672 -32.132 1.00 0.00 H new ATOM 0 HG3 ARG A 51 102.688 -3.112 -33.796 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.505 -1.776 -33.623 1.00 0.00 H new ATOM 0 HD3 ARG A 51 101.043 -1.214 -32.053 1.00 0.00 H new ATOM 0 HE ARG A 51 103.129 -0.753 -34.000 1.00 0.00 H new ATOM 0 HH11 ARG A 51 99.967 0.274 -32.926 1.00 0.00 H new ATOM 0 HH12 ARG A 51 100.172 1.927 -33.513 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.389 1.351 -34.755 1.00 0.00 H new ATOM 0 HH22 ARG A 51 102.092 2.532 -34.540 1.00 0.00 H new ATOM 466 N GLY A 52 104.434 -5.308 -31.589 1.00 0.00 N ATOM 467 CA GLY A 52 105.561 -5.170 -30.672 1.00 0.00 C ATOM 468 C GLY A 52 105.965 -3.706 -30.526 1.00 0.00 C ATOM 0 H GLY A 52 104.690 -5.581 -32.538 1.00 0.00 H new ATOM 0 HA2 GLY A 52 105.294 -5.577 -29.697 1.00 0.00 H new ATOM 0 HA3 GLY A 52 106.407 -5.751 -31.039 1.00 0.00 H new TER 472 GLY A 52 ATOM 473 N SER B 23 84.586 18.351 5.652 1.00 0.00 N ATOM 474 CA SER B 23 83.664 18.884 4.609 1.00 0.00 C ATOM 475 C SER B 23 84.324 18.766 3.241 1.00 0.00 C ATOM 476 O SER B 23 84.499 19.761 2.539 1.00 0.00 O ATOM 477 CB SER B 23 83.352 20.352 4.909 1.00 0.00 C ATOM 478 OG SER B 23 84.546 21.116 4.802 1.00 0.00 O ATOM 0 HA SER B 23 82.737 18.311 4.611 1.00 0.00 H new ATOM 0 HB2 SER B 23 82.603 20.727 4.211 1.00 0.00 H new ATOM 0 HB3 SER B 23 82.932 20.450 5.910 1.00 0.00 H new ATOM 0 HG SER B 23 84.857 21.109 3.873 1.00 0.00 H new ATOM 483 N ASP B 24 84.688 17.565 2.872 1.00 0.00 N ATOM 484 CA ASP B 24 85.335 17.336 1.584 1.00 0.00 C ATOM 485 C ASP B 24 85.166 15.883 1.145 1.00 0.00 C ATOM 486 O ASP B 24 86.105 15.093 1.227 1.00 0.00 O ATOM 487 CB ASP B 24 86.825 17.671 1.687 1.00 0.00 C ATOM 488 CG ASP B 24 87.006 19.173 1.877 1.00 0.00 C ATOM 489 OD1 ASP B 24 86.681 19.910 0.960 1.00 0.00 O ATOM 490 OD2 ASP B 24 87.468 19.565 2.936 1.00 0.00 O ATOM 0 H ASP B 24 84.553 16.726 3.436 1.00 0.00 H new ATOM 0 HA ASP B 24 84.865 17.981 0.842 1.00 0.00 H new ATOM 0 HB2 ASP B 24 87.271 17.133 2.524 1.00 0.00 H new ATOM 0 HB3 ASP B 24 87.344 17.344 0.786 1.00 0.00 H new ATOM 495 N PRO B 25 83.993 15.527 0.680 1.00 0.00 N ATOM 496 CA PRO B 25 83.682 14.140 0.207 1.00 0.00 C ATOM 497 C PRO B 25 84.783 13.565 -0.683 1.00 0.00 C ATOM 498 O PRO B 25 84.670 13.548 -1.907 1.00 0.00 O ATOM 499 CB PRO B 25 82.373 14.328 -0.563 1.00 0.00 C ATOM 500 CG PRO B 25 81.696 15.461 0.134 1.00 0.00 C ATOM 501 CD PRO B 25 82.819 16.412 0.557 1.00 0.00 C ATOM 0 HA PRO B 25 83.605 13.425 1.026 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.558 14.560 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.764 13.425 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO B 25 80.987 15.960 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.133 15.110 0.999 1.00 0.00 H new ATOM 0 HD2 PRO B 25 82.982 17.195 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO B 25 82.590 16.909 1.500 1.00 0.00 H new ATOM 509 N LEU B 26 85.828 13.107 -0.054 1.00 0.00 N ATOM 510 CA LEU B 26 86.961 12.527 -0.765 1.00 0.00 C ATOM 511 C LEU B 26 86.545 11.217 -1.438 1.00 0.00 C ATOM 512 O LEU B 26 86.891 10.957 -2.590 1.00 0.00 O ATOM 513 CB LEU B 26 88.100 12.274 0.241 1.00 0.00 C ATOM 514 CG LEU B 26 89.480 12.428 -0.422 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.569 11.997 0.573 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.557 11.564 -1.691 1.00 0.00 C ATOM 0 H LEU B 26 85.931 13.119 0.961 1.00 0.00 H new ATOM 0 HA LEU B 26 87.303 13.214 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.014 12.973 1.073 1.00 0.00 H new ATOM 0 HB3 LEU B 26 88.004 11.271 0.656 1.00 0.00 H new ATOM 0 HG LEU B 26 89.633 13.470 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU B 26 91.549 12.104 0.108 1.00 0.00 H new ATOM 0 HD12 LEU B 26 90.518 12.625 1.462 1.00 0.00 H new ATOM 0 HD13 LEU B 26 90.413 10.956 0.855 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.538 11.681 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU B 26 89.402 10.518 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU B 26 88.786 11.880 -2.394 1.00 0.00 H new ATOM 528 N VAL B 27 85.829 10.406 -0.706 1.00 0.00 N ATOM 529 CA VAL B 27 85.380 9.112 -1.208 1.00 0.00 C ATOM 530 C VAL B 27 84.578 9.249 -2.501 1.00 0.00 C ATOM 531 O VAL B 27 84.858 8.548 -3.473 1.00 0.00 O ATOM 532 CB VAL B 27 84.519 8.417 -0.143 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.160 6.995 -0.594 1.00 0.00 C ATOM 534 CG2 VAL B 27 85.296 8.343 1.173 1.00 0.00 C ATOM 0 H VAL B 27 85.536 10.611 0.249 1.00 0.00 H new ATOM 0 HA VAL B 27 86.266 8.515 -1.426 1.00 0.00 H new ATOM 0 HB VAL B 27 83.603 8.991 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL B 27 83.550 6.514 0.170 1.00 0.00 H new ATOM 0 HG12 VAL B 27 83.602 7.040 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.073 6.419 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL B 27 84.685 7.850 1.929 1.00 0.00 H new ATOM 0 HG22 VAL B 27 86.214 7.776 1.022 1.00 0.00 H new ATOM 0 HG23 VAL B 27 85.543 9.351 1.507 1.00 0.00 H new ATOM 544 N VAL B 28 83.599 10.118 -2.528 1.00 0.00 N ATOM 545 CA VAL B 28 82.779 10.303 -3.727 1.00 0.00 C ATOM 546 C VAL B 28 83.553 11.016 -4.842 1.00 0.00 C ATOM 547 O VAL B 28 83.235 10.869 -6.023 1.00 0.00 O ATOM 548 CB VAL B 28 81.501 11.091 -3.361 1.00 0.00 C ATOM 549 CG1 VAL B 28 81.766 12.607 -3.401 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.368 10.745 -4.339 1.00 0.00 C ATOM 0 H VAL B 28 83.341 10.714 -1.741 1.00 0.00 H new ATOM 0 HA VAL B 28 82.503 9.320 -4.108 1.00 0.00 H new ATOM 0 HB VAL B 28 81.207 10.810 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL B 28 80.853 13.143 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL B 28 82.551 12.858 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL B 28 82.082 12.895 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL B 28 79.473 11.306 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.670 11.006 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL B 28 80.156 9.677 -4.287 1.00 0.00 H new ATOM 560 N ALA B 29 84.526 11.795 -4.459 1.00 0.00 N ATOM 561 CA ALA B 29 85.317 12.558 -5.423 1.00 0.00 C ATOM 562 C ALA B 29 86.057 11.655 -6.407 1.00 0.00 C ATOM 563 O ALA B 29 86.107 11.951 -7.596 1.00 0.00 O ATOM 564 CB ALA B 29 86.325 13.439 -4.687 1.00 0.00 C ATOM 0 H ALA B 29 84.802 11.928 -3.486 1.00 0.00 H new ATOM 0 HA ALA B 29 84.623 13.175 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.911 14.005 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.794 14.129 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.990 12.812 -4.092 1.00 0.00 H new ATOM 570 N ALA B 30 86.616 10.574 -5.931 1.00 0.00 N ATOM 571 CA ALA B 30 87.322 9.672 -6.831 1.00 0.00 C ATOM 572 C ALA B 30 86.323 8.893 -7.692 1.00 0.00 C ATOM 573 O ALA B 30 86.432 8.849 -8.917 1.00 0.00 O ATOM 574 CB ALA B 30 88.181 8.715 -6.028 1.00 0.00 C ATOM 0 H ALA B 30 86.604 10.292 -4.951 1.00 0.00 H new ATOM 0 HA ALA B 30 87.964 10.258 -7.489 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.707 8.042 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.906 9.281 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.548 8.133 -5.358 1.00 0.00 H new ATOM 580 N SER B 31 85.379 8.284 -7.030 1.00 0.00 N ATOM 581 CA SER B 31 84.342 7.476 -7.675 1.00 0.00 C ATOM 582 C SER B 31 83.678 8.193 -8.859 1.00 0.00 C ATOM 583 O SER B 31 83.175 7.551 -9.779 1.00 0.00 O ATOM 584 CB SER B 31 83.280 7.140 -6.639 1.00 0.00 C ATOM 585 OG SER B 31 82.358 6.207 -7.187 1.00 0.00 O ATOM 0 H SER B 31 85.294 8.326 -6.014 1.00 0.00 H new ATOM 0 HA SER B 31 84.817 6.578 -8.069 1.00 0.00 H new ATOM 0 HB2 SER B 31 83.747 6.724 -5.746 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.757 8.046 -6.332 1.00 0.00 H new ATOM 0 HG SER B 31 81.675 5.990 -6.518 1.00 0.00 H new ATOM 591 N ILE B 32 83.674 9.492 -8.822 1.00 0.00 N ATOM 592 CA ILE B 32 83.055 10.263 -9.902 1.00 0.00 C ATOM 593 C ILE B 32 83.734 9.946 -11.238 1.00 0.00 C ATOM 594 O ILE B 32 83.081 9.863 -12.272 1.00 0.00 O ATOM 595 CB ILE B 32 83.116 11.775 -9.599 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.032 12.510 -10.399 1.00 0.00 C ATOM 597 CG2 ILE B 32 84.493 12.342 -9.970 1.00 0.00 C ATOM 598 CD1 ILE B 32 82.047 13.994 -10.032 1.00 0.00 C ATOM 0 H ILE B 32 84.083 10.051 -8.073 1.00 0.00 H new ATOM 0 HA ILE B 32 82.005 9.978 -9.974 1.00 0.00 H new ATOM 0 HB ILE B 32 82.948 11.921 -8.532 1.00 0.00 H new ATOM 0 HG12 ILE B 32 82.207 12.387 -11.468 1.00 0.00 H new ATOM 0 HG13 ILE B 32 81.053 12.081 -10.185 1.00 0.00 H new ATOM 0 HG21 ILE B 32 84.518 13.409 -9.750 1.00 0.00 H new ATOM 0 HG22 ILE B 32 85.264 11.834 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE B 32 84.676 12.186 -11.033 1.00 0.00 H new ATOM 0 HD11 ILE B 32 81.277 14.517 -10.600 1.00 0.00 H new ATOM 0 HD12 ILE B 32 81.851 14.107 -8.966 1.00 0.00 H new ATOM 0 HD13 ILE B 32 83.023 14.417 -10.269 1.00 0.00 H new ATOM 610 N ILE B 33 85.026 9.796 -11.201 1.00 0.00 N ATOM 611 CA ILE B 33 85.795 9.505 -12.408 1.00 0.00 C ATOM 612 C ILE B 33 85.480 8.113 -12.965 1.00 0.00 C ATOM 613 O ILE B 33 85.441 7.924 -14.178 1.00 0.00 O ATOM 614 CB ILE B 33 87.295 9.623 -12.100 1.00 0.00 C ATOM 615 CG1 ILE B 33 87.656 11.101 -11.907 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.122 9.045 -13.257 1.00 0.00 C ATOM 617 CD1 ILE B 33 88.998 11.207 -11.186 1.00 0.00 C ATOM 0 H ILE B 33 85.585 9.868 -10.351 1.00 0.00 H new ATOM 0 HA ILE B 33 85.514 10.232 -13.170 1.00 0.00 H new ATOM 0 HB ILE B 33 87.517 9.063 -11.191 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.710 11.603 -12.873 1.00 0.00 H new ATOM 0 HG13 ILE B 33 86.880 11.604 -11.330 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.183 9.135 -13.026 1.00 0.00 H new ATOM 0 HG22 ILE B 33 87.869 7.994 -13.396 1.00 0.00 H new ATOM 0 HG23 ILE B 33 87.902 9.595 -14.172 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.255 12.257 -11.049 1.00 0.00 H new ATOM 0 HD12 ILE B 33 88.928 10.720 -10.213 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.770 10.719 -11.781 1.00 0.00 H new ATOM 629 N GLY B 34 85.340 7.140 -12.107 1.00 0.00 N ATOM 630 CA GLY B 34 85.131 5.768 -12.558 1.00 0.00 C ATOM 631 C GLY B 34 84.096 5.641 -13.674 1.00 0.00 C ATOM 632 O GLY B 34 84.339 4.936 -14.654 1.00 0.00 O ATOM 0 H GLY B 34 85.365 7.258 -11.094 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.080 5.361 -12.906 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.815 5.160 -11.710 1.00 0.00 H new ATOM 636 N ILE B 35 82.974 6.294 -13.562 1.00 0.00 N ATOM 637 CA ILE B 35 81.974 6.187 -14.626 1.00 0.00 C ATOM 638 C ILE B 35 82.511 6.846 -15.907 1.00 0.00 C ATOM 639 O ILE B 35 82.252 6.368 -17.012 1.00 0.00 O ATOM 640 CB ILE B 35 80.625 6.795 -14.170 1.00 0.00 C ATOM 641 CG1 ILE B 35 79.857 7.396 -15.357 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.880 7.876 -13.129 1.00 0.00 C ATOM 643 CD1 ILE B 35 78.419 7.701 -14.933 1.00 0.00 C ATOM 0 H ILE B 35 82.718 6.893 -12.777 1.00 0.00 H new ATOM 0 HA ILE B 35 81.785 5.137 -14.847 1.00 0.00 H new ATOM 0 HB ILE B 35 80.019 5.998 -13.739 1.00 0.00 H new ATOM 0 HG12 ILE B 35 80.348 8.308 -15.697 1.00 0.00 H new ATOM 0 HG13 ILE B 35 79.860 6.700 -16.196 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.930 8.304 -12.808 1.00 0.00 H new ATOM 0 HG22 ILE B 35 81.390 7.441 -12.270 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.502 8.659 -13.562 1.00 0.00 H new ATOM 0 HD11 ILE B 35 77.874 8.127 -15.775 1.00 0.00 H new ATOM 0 HD12 ILE B 35 77.931 6.780 -14.614 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.426 8.413 -14.108 1.00 0.00 H new ATOM 655 N LEU B 36 83.269 7.902 -15.754 1.00 0.00 N ATOM 656 CA LEU B 36 83.859 8.586 -16.907 1.00 0.00 C ATOM 657 C LEU B 36 84.834 7.639 -17.606 1.00 0.00 C ATOM 658 O LEU B 36 84.873 7.546 -18.833 1.00 0.00 O ATOM 659 CB LEU B 36 84.612 9.841 -16.434 1.00 0.00 C ATOM 660 CG LEU B 36 85.104 10.673 -17.640 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.985 11.601 -18.131 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.319 11.522 -17.222 1.00 0.00 C ATOM 0 H LEU B 36 83.499 8.316 -14.851 1.00 0.00 H new ATOM 0 HA LEU B 36 83.071 8.880 -17.600 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.958 10.449 -15.809 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.462 9.550 -15.817 1.00 0.00 H new ATOM 0 HG LEU B 36 85.388 9.994 -18.444 1.00 0.00 H new ATOM 0 HD11 LEU B 36 84.342 12.183 -18.981 1.00 0.00 H new ATOM 0 HD12 LEU B 36 83.125 11.005 -18.435 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.693 12.276 -17.326 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.664 12.108 -18.074 1.00 0.00 H new ATOM 0 HD22 LEU B 36 86.033 12.193 -16.412 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.122 10.867 -16.883 1.00 0.00 H new ATOM 674 N HIS B 37 85.603 6.963 -16.804 1.00 0.00 N ATOM 675 CA HIS B 37 86.594 6.020 -17.310 1.00 0.00 C ATOM 676 C HIS B 37 85.900 4.873 -18.056 1.00 0.00 C ATOM 677 O HIS B 37 86.444 4.334 -19.019 1.00 0.00 O ATOM 678 CB HIS B 37 87.483 5.511 -16.131 1.00 0.00 C ATOM 679 CG HIS B 37 87.425 4.004 -15.960 1.00 0.00 C ATOM 680 ND1 HIS B 37 87.532 3.122 -17.026 1.00 0.00 N ATOM 681 CD2 HIS B 37 87.270 3.217 -14.844 1.00 0.00 C ATOM 682 CE1 HIS B 37 87.436 1.874 -16.533 1.00 0.00 C ATOM 683 NE2 HIS B 37 87.277 1.877 -15.208 1.00 0.00 N ATOM 0 H HIS B 37 85.573 7.038 -15.787 1.00 0.00 H new ATOM 0 HA HIS B 37 87.249 6.517 -18.026 1.00 0.00 H new ATOM 0 HB2 HIS B 37 88.516 5.813 -16.304 1.00 0.00 H new ATOM 0 HB3 HIS B 37 87.161 5.990 -15.206 1.00 0.00 H new ATOM 0 HD1 HIS B 37 87.660 3.374 -18.006 1.00 0.00 H new ATOM 0 HD2 HIS B 37 87.159 3.586 -13.835 1.00 0.00 H new ATOM 0 HE1 HIS B 37 87.482 0.979 -17.136 1.00 0.00 H new ATOM 692 N PHE B 38 84.738 4.496 -17.599 1.00 0.00 N ATOM 693 CA PHE B 38 84.006 3.391 -18.216 1.00 0.00 C ATOM 694 C PHE B 38 83.566 3.698 -19.652 1.00 0.00 C ATOM 695 O PHE B 38 83.764 2.875 -20.545 1.00 0.00 O ATOM 696 CB PHE B 38 82.776 3.040 -17.375 1.00 0.00 C ATOM 697 CG PHE B 38 82.119 1.805 -17.947 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.535 0.531 -17.536 1.00 0.00 C ATOM 699 CD2 PHE B 38 81.095 1.934 -18.893 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.927 -0.610 -18.073 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.488 0.793 -19.430 1.00 0.00 C ATOM 702 CZ PHE B 38 80.904 -0.480 -19.020 1.00 0.00 C ATOM 0 H PHE B 38 84.267 4.928 -16.804 1.00 0.00 H new ATOM 0 HA PHE B 38 84.692 2.545 -18.256 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.067 2.865 -16.339 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.073 3.873 -17.372 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.324 0.430 -16.806 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.773 2.915 -19.209 1.00 0.00 H new ATOM 0 HE1 PHE B 38 82.247 -1.592 -17.756 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.699 0.894 -20.160 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.436 -1.361 -19.434 1.00 0.00 H new ATOM 712 N ILE B 39 82.948 4.831 -19.869 1.00 0.00 N ATOM 713 CA ILE B 39 82.462 5.167 -21.210 1.00 0.00 C ATOM 714 C ILE B 39 83.599 5.373 -22.211 1.00 0.00 C ATOM 715 O ILE B 39 83.481 4.983 -23.369 1.00 0.00 O ATOM 716 CB ILE B 39 81.571 6.411 -21.164 1.00 0.00 C ATOM 717 CG1 ILE B 39 82.317 7.579 -20.510 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.314 6.098 -20.351 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.484 8.855 -20.659 1.00 0.00 C ATOM 0 H ILE B 39 82.765 5.536 -19.155 1.00 0.00 H new ATOM 0 HA ILE B 39 81.876 4.315 -21.555 1.00 0.00 H new ATOM 0 HB ILE B 39 81.300 6.691 -22.182 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.495 7.368 -19.456 1.00 0.00 H new ATOM 0 HG13 ILE B 39 83.293 7.711 -20.978 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.675 6.980 -20.315 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.772 5.277 -20.820 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.598 5.813 -19.338 1.00 0.00 H new ATOM 0 HD11 ILE B 39 82.010 9.689 -20.195 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.329 9.067 -21.717 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.519 8.719 -20.171 1.00 0.00 H new ATOM 731 N ALA B 40 84.675 5.969 -21.789 1.00 0.00 N ATOM 732 CA ALA B 40 85.798 6.192 -22.692 1.00 0.00 C ATOM 733 C ALA B 40 86.499 4.871 -23.006 1.00 0.00 C ATOM 734 O ALA B 40 87.099 4.711 -24.067 1.00 0.00 O ATOM 735 CB ALA B 40 86.793 7.170 -22.067 1.00 0.00 C ATOM 0 H ALA B 40 84.812 6.311 -20.838 1.00 0.00 H new ATOM 0 HA ALA B 40 85.415 6.618 -23.620 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.627 7.328 -22.751 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.296 8.121 -21.875 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.166 6.759 -21.129 1.00 0.00 H new ATOM 741 N TRP B 41 86.440 3.960 -22.073 1.00 0.00 N ATOM 742 CA TRP B 41 87.094 2.657 -22.212 1.00 0.00 C ATOM 743 C TRP B 41 86.626 1.890 -23.447 1.00 0.00 C ATOM 744 O TRP B 41 87.448 1.385 -24.211 1.00 0.00 O ATOM 745 CB TRP B 41 86.807 1.827 -20.958 1.00 0.00 C ATOM 746 CG TRP B 41 87.513 0.509 -21.022 1.00 0.00 C ATOM 747 CD1 TRP B 41 87.241 -0.491 -21.898 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.582 0.015 -20.164 1.00 0.00 C ATOM 749 NE1 TRP B 41 88.087 -1.548 -21.644 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.927 -1.287 -20.584 1.00 0.00 C ATOM 751 CE3 TRP B 41 89.287 0.567 -19.077 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.923 -2.016 -19.950 1.00 0.00 C ATOM 753 CZ3 TRP B 41 90.292 -0.175 -18.432 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.608 -1.467 -18.874 1.00 0.00 C ATOM 0 H TRP B 41 85.942 4.085 -21.192 1.00 0.00 H new ATOM 0 HA TRP B 41 88.163 2.833 -22.332 1.00 0.00 H new ATOM 0 HB2 TRP B 41 87.129 2.375 -20.072 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.733 1.666 -20.861 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.485 -0.463 -22.669 1.00 0.00 H new ATOM 0 HE1 TRP B 41 88.091 -2.418 -22.176 1.00 0.00 H new ATOM 0 HE3 TRP B 41 89.054 1.565 -18.737 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 90.166 -3.011 -20.294 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.822 0.252 -17.593 1.00 0.00 H new ATOM 0 HH2 TRP B 41 91.382 -2.034 -18.379 1.00 0.00 H new ATOM 765 N THR B 42 85.340 1.764 -23.622 1.00 0.00 N ATOM 766 CA THR B 42 84.820 1.003 -24.757 1.00 0.00 C ATOM 767 C THR B 42 85.492 1.434 -26.054 1.00 0.00 C ATOM 768 O THR B 42 85.747 0.613 -26.928 1.00 0.00 O ATOM 769 CB THR B 42 83.303 1.182 -24.884 1.00 0.00 C ATOM 770 OG1 THR B 42 82.917 0.972 -26.236 1.00 0.00 O ATOM 771 CG2 THR B 42 82.920 2.595 -24.461 1.00 0.00 C ATOM 0 H THR B 42 84.630 2.167 -23.011 1.00 0.00 H new ATOM 0 HA THR B 42 85.040 -0.049 -24.576 1.00 0.00 H new ATOM 0 HB THR B 42 82.796 0.462 -24.242 1.00 0.00 H new ATOM 0 HG1 THR B 42 81.947 1.084 -26.320 1.00 0.00 H new ATOM 0 HG21 THR B 42 81.841 2.722 -24.551 1.00 0.00 H new ATOM 0 HG22 THR B 42 83.219 2.759 -23.426 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.425 3.317 -25.103 1.00 0.00 H new ATOM 779 N ILE B 43 85.732 2.702 -26.194 1.00 0.00 N ATOM 780 CA ILE B 43 86.324 3.219 -27.421 1.00 0.00 C ATOM 781 C ILE B 43 87.547 2.396 -27.857 1.00 0.00 C ATOM 782 O ILE B 43 87.717 2.136 -29.042 1.00 0.00 O ATOM 783 CB ILE B 43 86.689 4.712 -27.216 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.523 5.489 -28.529 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.136 4.869 -26.726 1.00 0.00 C ATOM 786 CD1 ILE B 43 86.805 6.972 -28.280 1.00 0.00 C ATOM 0 H ILE B 43 85.533 3.407 -25.485 1.00 0.00 H new ATOM 0 HA ILE B 43 85.595 3.134 -28.227 1.00 0.00 H new ATOM 0 HB ILE B 43 86.013 5.112 -26.461 1.00 0.00 H new ATOM 0 HG12 ILE B 43 87.206 5.099 -29.284 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.512 5.359 -28.916 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.362 5.927 -26.592 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.257 4.349 -25.776 1.00 0.00 H new ATOM 0 HG23 ILE B 43 88.818 4.443 -27.462 1.00 0.00 H new ATOM 0 HD11 ILE B 43 86.688 7.526 -29.211 1.00 0.00 H new ATOM 0 HD12 ILE B 43 86.104 7.356 -27.539 1.00 0.00 H new ATOM 0 HD13 ILE B 43 87.824 7.092 -27.912 1.00 0.00 H new ATOM 798 N GLY B 44 88.371 1.977 -26.932 1.00 0.00 N ATOM 799 CA GLY B 44 89.545 1.177 -27.296 1.00 0.00 C ATOM 800 C GLY B 44 89.115 -0.052 -28.087 1.00 0.00 C ATOM 801 O GLY B 44 89.720 -0.401 -29.101 1.00 0.00 O ATOM 0 H GLY B 44 88.268 2.164 -25.935 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.235 1.778 -27.889 1.00 0.00 H new ATOM 0 HA3 GLY B 44 90.080 0.872 -26.397 1.00 0.00 H new ATOM 805 N HIS B 45 88.112 -0.718 -27.589 1.00 0.00 N ATOM 806 CA HIS B 45 87.616 -1.945 -28.196 1.00 0.00 C ATOM 807 C HIS B 45 87.549 -1.821 -29.713 1.00 0.00 C ATOM 808 O HIS B 45 87.594 -2.827 -30.420 1.00 0.00 O ATOM 809 CB HIS B 45 86.222 -2.240 -27.647 1.00 0.00 C ATOM 810 CG HIS B 45 85.715 -3.547 -28.190 1.00 0.00 C ATOM 811 ND1 HIS B 45 85.223 -3.673 -29.480 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.597 -4.790 -27.620 1.00 0.00 C ATOM 813 CE1 HIS B 45 84.831 -4.951 -29.641 1.00 0.00 C ATOM 814 NE2 HIS B 45 85.039 -5.674 -28.537 1.00 0.00 N ATOM 0 H HIS B 45 87.607 -0.434 -26.750 1.00 0.00 H new ATOM 0 HA HIS B 45 88.301 -2.757 -27.952 1.00 0.00 H new ATOM 0 HB2 HIS B 45 86.253 -2.278 -26.558 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.539 -1.436 -27.919 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.893 -5.043 -26.613 1.00 0.00 H new ATOM 0 HE1 HIS B 45 84.401 -5.343 -30.551 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.833 -6.663 -28.397 1.00 0.00 H new ATOM 823 N LEU B 46 87.425 -0.625 -30.207 1.00 0.00 N ATOM 824 CA LEU B 46 87.336 -0.427 -31.646 1.00 0.00 C ATOM 825 C LEU B 46 88.393 -1.252 -32.388 1.00 0.00 C ATOM 826 O LEU B 46 88.171 -1.622 -33.541 1.00 0.00 O ATOM 827 CB LEU B 46 87.470 1.081 -32.001 1.00 0.00 C ATOM 828 CG LEU B 46 88.958 1.498 -32.187 1.00 0.00 C ATOM 829 CD1 LEU B 46 89.396 1.324 -33.663 1.00 0.00 C ATOM 830 CD2 LEU B 46 89.149 2.974 -31.780 1.00 0.00 C ATOM 0 H LEU B 46 87.382 0.229 -29.651 1.00 0.00 H new ATOM 0 HA LEU B 46 86.355 -0.773 -31.970 1.00 0.00 H new ATOM 0 HB2 LEU B 46 86.916 1.290 -32.916 1.00 0.00 H new ATOM 0 HB3 LEU B 46 87.019 1.682 -31.211 1.00 0.00 H new ATOM 0 HG LEU B 46 89.570 0.856 -31.553 1.00 0.00 H new ATOM 0 HD11 LEU B 46 90.439 1.621 -33.770 1.00 0.00 H new ATOM 0 HD12 LEU B 46 89.284 0.280 -33.955 1.00 0.00 H new ATOM 0 HD13 LEU B 46 88.773 1.948 -34.303 1.00 0.00 H new ATOM 0 HD21 LEU B 46 90.193 3.256 -31.914 1.00 0.00 H new ATOM 0 HD22 LEU B 46 88.519 3.608 -32.404 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.870 3.102 -30.734 1.00 0.00 H new ATOM 842 N ASN B 47 89.513 -1.557 -31.766 1.00 0.00 N ATOM 843 CA ASN B 47 90.553 -2.357 -32.423 1.00 0.00 C ATOM 844 C ASN B 47 90.195 -3.853 -32.574 1.00 0.00 C ATOM 845 O ASN B 47 90.669 -4.506 -33.502 1.00 0.00 O ATOM 846 CB ASN B 47 91.837 -2.260 -31.597 1.00 0.00 C ATOM 847 CG ASN B 47 92.314 -0.814 -31.518 1.00 0.00 C ATOM 848 OD1 ASN B 47 92.116 -0.041 -32.454 1.00 0.00 O ATOM 849 ND2 ASN B 47 92.937 -0.403 -30.447 1.00 0.00 N ATOM 0 H ASN B 47 89.736 -1.270 -30.813 1.00 0.00 H new ATOM 0 HA ASN B 47 90.667 -1.951 -33.428 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.660 -2.646 -30.593 1.00 0.00 H new ATOM 0 HB3 ASN B 47 92.613 -2.881 -32.045 1.00 0.00 H new ATOM 0 HD21 ASN B 47 93.261 0.562 -30.384 1.00 0.00 H new ATOM 0 HD22 ASN B 47 93.099 -1.047 -29.673 1.00 0.00 H new ATOM 856 N GLN B 48 89.401 -4.389 -31.675 1.00 0.00 N ATOM 857 CA GLN B 48 89.036 -5.805 -31.731 1.00 0.00 C ATOM 858 C GLN B 48 88.473 -6.179 -33.099 1.00 0.00 C ATOM 859 O GLN B 48 89.177 -6.747 -33.932 1.00 0.00 O ATOM 860 CB GLN B 48 88.004 -6.129 -30.646 1.00 0.00 C ATOM 861 CG GLN B 48 88.517 -5.658 -29.283 1.00 0.00 C ATOM 862 CD GLN B 48 89.816 -6.370 -28.929 1.00 0.00 C ATOM 863 OE1 GLN B 48 90.724 -5.755 -28.370 1.00 0.00 O ATOM 864 NE2 GLN B 48 89.961 -7.634 -29.217 1.00 0.00 N ATOM 0 H GLN B 48 88.991 -3.876 -30.894 1.00 0.00 H new ATOM 0 HA GLN B 48 89.941 -6.388 -31.560 1.00 0.00 H new ATOM 0 HB2 GLN B 48 87.056 -5.642 -30.876 1.00 0.00 H new ATOM 0 HB3 GLN B 48 87.813 -7.202 -30.622 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.679 -4.580 -29.301 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.767 -5.855 -28.517 1.00 0.00 H new ATOM 0 HE21 GLN B 48 89.207 -8.141 -29.680 1.00 0.00 H new ATOM 0 HE22 GLN B 48 90.828 -8.115 -28.979 1.00 0.00 H new ATOM 873 N ILE B 49 87.214 -5.879 -33.303 1.00 0.00 N ATOM 874 CA ILE B 49 86.535 -6.194 -34.563 1.00 0.00 C ATOM 875 C ILE B 49 87.480 -6.052 -35.756 1.00 0.00 C ATOM 876 O ILE B 49 87.934 -7.051 -36.315 1.00 0.00 O ATOM 877 CB ILE B 49 85.332 -5.263 -34.748 1.00 0.00 C ATOM 878 CG1 ILE B 49 84.515 -5.203 -33.450 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.450 -5.786 -35.884 1.00 0.00 C ATOM 880 CD1 ILE B 49 84.194 -6.620 -32.960 1.00 0.00 C ATOM 0 H ILE B 49 86.623 -5.413 -32.614 1.00 0.00 H new ATOM 0 HA ILE B 49 86.199 -7.230 -34.516 1.00 0.00 H new ATOM 0 HB ILE B 49 85.688 -4.263 -34.994 1.00 0.00 H new ATOM 0 HG12 ILE B 49 85.073 -4.664 -32.685 1.00 0.00 H new ATOM 0 HG13 ILE B 49 83.591 -4.651 -33.619 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.595 -5.123 -36.015 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.028 -5.819 -36.808 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.098 -6.788 -35.640 1.00 0.00 H new ATOM 0 HD11 ILE B 49 83.614 -6.564 -32.039 1.00 0.00 H new ATOM 0 HD12 ILE B 49 83.617 -7.146 -33.720 1.00 0.00 H new ATOM 0 HD13 ILE B 49 85.123 -7.159 -32.772 1.00 0.00 H new ATOM 892 N LYS B 50 87.760 -4.832 -36.134 1.00 0.00 N ATOM 893 CA LYS B 50 88.648 -4.558 -37.266 1.00 0.00 C ATOM 894 C LYS B 50 89.796 -5.568 -37.338 1.00 0.00 C ATOM 895 O LYS B 50 89.794 -6.459 -38.187 1.00 0.00 O ATOM 896 CB LYS B 50 89.223 -3.144 -37.138 1.00 0.00 C ATOM 897 CG LYS B 50 88.089 -2.106 -37.186 1.00 0.00 C ATOM 898 CD LYS B 50 87.637 -1.867 -38.635 1.00 0.00 C ATOM 899 CE LYS B 50 86.779 -0.601 -38.695 1.00 0.00 C ATOM 900 NZ LYS B 50 87.653 0.596 -38.545 1.00 0.00 N ATOM 0 H LYS B 50 87.390 -3.997 -35.679 1.00 0.00 H new ATOM 0 HA LYS B 50 88.061 -4.644 -38.181 1.00 0.00 H new ATOM 0 HB2 LYS B 50 89.773 -3.050 -36.202 1.00 0.00 H new ATOM 0 HB3 LYS B 50 89.932 -2.957 -37.944 1.00 0.00 H new ATOM 0 HG2 LYS B 50 87.246 -2.453 -36.589 1.00 0.00 H new ATOM 0 HG3 LYS B 50 88.428 -1.168 -36.745 1.00 0.00 H new ATOM 0 HD2 LYS B 50 88.505 -1.763 -39.286 1.00 0.00 H new ATOM 0 HD3 LYS B 50 87.068 -2.723 -38.996 1.00 0.00 H new ATOM 0 HE2 LYS B 50 86.242 -0.557 -39.643 1.00 0.00 H new ATOM 0 HE3 LYS B 50 86.029 -0.619 -37.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 87.299 1.189 -37.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 88.625 0.292 -38.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 87.646 1.144 -39.429 1.00 0.00 H new ATOM 914 N ARG B 51 90.752 -5.428 -36.461 1.00 0.00 N ATOM 915 CA ARG B 51 91.891 -6.340 -36.446 1.00 0.00 C ATOM 916 C ARG B 51 91.420 -7.779 -36.272 1.00 0.00 C ATOM 917 O ARG B 51 91.295 -8.526 -37.243 1.00 0.00 O ATOM 918 CB ARG B 51 92.842 -5.983 -35.303 1.00 0.00 C ATOM 919 CG ARG B 51 93.474 -4.616 -35.565 1.00 0.00 C ATOM 920 CD ARG B 51 94.414 -4.266 -34.412 1.00 0.00 C ATOM 921 NE ARG B 51 95.089 -3.002 -34.675 1.00 0.00 N ATOM 922 CZ ARG B 51 96.076 -2.935 -35.524 1.00 0.00 C ATOM 923 NH1 ARG B 51 96.464 -4.009 -36.155 1.00 0.00 N ATOM 924 NH2 ARG B 51 96.673 -1.796 -35.745 1.00 0.00 N ATOM 0 H ARG B 51 90.777 -4.700 -35.747 1.00 0.00 H new ATOM 0 HA ARG B 51 92.414 -6.244 -37.398 1.00 0.00 H new ATOM 0 HB2 ARG B 51 92.300 -5.968 -34.357 1.00 0.00 H new ATOM 0 HB3 ARG B 51 93.619 -6.742 -35.213 1.00 0.00 H new ATOM 0 HG2 ARG B 51 94.024 -4.631 -36.506 1.00 0.00 H new ATOM 0 HG3 ARG B 51 92.698 -3.856 -35.661 1.00 0.00 H new ATOM 0 HD2 ARG B 51 93.850 -4.198 -33.482 1.00 0.00 H new ATOM 0 HD3 ARG B 51 95.150 -5.059 -34.281 1.00 0.00 H new ATOM 0 HE ARG B 51 94.785 -2.158 -34.189 1.00 0.00 H new ATOM 0 HH11 ARG B 51 95.995 -4.899 -35.984 1.00 0.00 H new ATOM 0 HH12 ARG B 51 97.236 -3.959 -36.820 1.00 0.00 H new ATOM 0 HH21 ARG B 51 96.368 -0.956 -35.253 1.00 0.00 H new ATOM 0 HH22 ARG B 51 97.445 -1.745 -36.410 1.00 0.00 H new ATOM 938 N GLY B 52 91.167 -8.154 -35.048 1.00 0.00 N ATOM 939 CA GLY B 52 90.711 -9.506 -34.750 1.00 0.00 C ATOM 940 C GLY B 52 90.726 -9.766 -33.247 1.00 0.00 C ATOM 0 H GLY B 52 91.266 -7.550 -34.232 1.00 0.00 H new ATOM 0 HA2 GLY B 52 89.702 -9.648 -35.138 1.00 0.00 H new ATOM 0 HA3 GLY B 52 91.351 -10.230 -35.255 1.00 0.00 H new TER 944 GLY B 52 ATOM 945 N SER C 23 94.780 9.772 9.921 1.00 0.00 N ATOM 946 CA SER C 23 93.800 10.675 9.257 1.00 0.00 C ATOM 947 C SER C 23 93.265 10.002 7.997 1.00 0.00 C ATOM 948 O SER C 23 93.209 10.616 6.930 1.00 0.00 O ATOM 949 CB SER C 23 94.488 11.991 8.894 1.00 0.00 C ATOM 950 OG SER C 23 93.504 12.955 8.544 1.00 0.00 O ATOM 0 HA SER C 23 92.970 10.880 9.933 1.00 0.00 H new ATOM 0 HB2 SER C 23 95.081 12.349 9.736 1.00 0.00 H new ATOM 0 HB3 SER C 23 95.175 11.838 8.062 1.00 0.00 H new ATOM 0 HG SER C 23 92.993 12.636 7.771 1.00 0.00 H new ATOM 955 N ASP C 24 92.867 8.762 8.128 1.00 0.00 N ATOM 956 CA ASP C 24 92.325 8.008 7.005 1.00 0.00 C ATOM 957 C ASP C 24 93.103 8.290 5.727 1.00 0.00 C ATOM 958 O ASP C 24 92.525 8.682 4.714 1.00 0.00 O ATOM 959 CB ASP C 24 90.853 8.369 6.799 1.00 0.00 C ATOM 960 CG ASP C 24 90.693 9.883 6.716 1.00 0.00 C ATOM 961 OD1 ASP C 24 90.973 10.432 5.663 1.00 0.00 O ATOM 962 OD2 ASP C 24 90.293 10.472 7.707 1.00 0.00 O ATOM 0 H ASP C 24 92.905 8.242 9.005 1.00 0.00 H new ATOM 0 HA ASP C 24 92.415 6.946 7.235 1.00 0.00 H new ATOM 0 HB2 ASP C 24 90.481 7.905 5.885 1.00 0.00 H new ATOM 0 HB3 ASP C 24 90.255 7.977 7.622 1.00 0.00 H new ATOM 967 N PRO C 25 94.393 8.090 5.752 1.00 0.00 N ATOM 968 CA PRO C 25 95.249 8.320 4.558 1.00 0.00 C ATOM 969 C PRO C 25 94.912 7.313 3.465 1.00 0.00 C ATOM 970 O PRO C 25 95.266 7.488 2.303 1.00 0.00 O ATOM 971 CB PRO C 25 96.683 8.141 5.087 1.00 0.00 C ATOM 972 CG PRO C 25 96.546 7.291 6.315 1.00 0.00 C ATOM 973 CD PRO C 25 95.173 7.617 6.909 1.00 0.00 C ATOM 0 HA PRO C 25 95.107 9.301 4.106 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.320 7.660 4.344 1.00 0.00 H new ATOM 0 HB3 PRO C 25 97.139 9.103 5.323 1.00 0.00 H new ATOM 0 HG2 PRO C 25 96.621 6.232 6.066 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.341 7.508 7.029 1.00 0.00 H new ATOM 0 HD2 PRO C 25 94.717 6.740 7.367 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.243 8.381 7.683 1.00 0.00 H new ATOM 981 N LEU C 26 94.255 6.261 3.859 1.00 0.00 N ATOM 982 CA LEU C 26 93.884 5.206 2.918 1.00 0.00 C ATOM 983 C LEU C 26 92.971 5.737 1.805 1.00 0.00 C ATOM 984 O LEU C 26 93.085 5.318 0.654 1.00 0.00 O ATOM 985 CB LEU C 26 93.172 4.069 3.673 1.00 0.00 C ATOM 986 CG LEU C 26 94.204 3.173 4.367 1.00 0.00 C ATOM 987 CD1 LEU C 26 95.109 4.026 5.257 1.00 0.00 C ATOM 988 CD2 LEU C 26 93.479 2.131 5.224 1.00 0.00 C ATOM 0 H LEU C 26 93.958 6.097 4.821 1.00 0.00 H new ATOM 0 HA LEU C 26 94.797 4.832 2.454 1.00 0.00 H new ATOM 0 HB2 LEU C 26 92.485 4.485 4.410 1.00 0.00 H new ATOM 0 HB3 LEU C 26 92.574 3.479 2.978 1.00 0.00 H new ATOM 0 HG LEU C 26 94.810 2.668 3.615 1.00 0.00 H new ATOM 0 HD11 LEU C 26 95.842 3.387 5.749 1.00 0.00 H new ATOM 0 HD12 LEU C 26 95.625 4.767 4.647 1.00 0.00 H new ATOM 0 HD13 LEU C 26 94.506 4.533 6.010 1.00 0.00 H new ATOM 0 HD21 LEU C 26 94.212 1.493 5.718 1.00 0.00 H new ATOM 0 HD22 LEU C 26 92.872 2.636 5.975 1.00 0.00 H new ATOM 0 HD23 LEU C 26 92.836 1.521 4.589 1.00 0.00 H new ATOM 1000 N VAL C 27 92.068 6.614 2.148 1.00 0.00 N ATOM 1001 CA VAL C 27 91.125 7.158 1.167 1.00 0.00 C ATOM 1002 C VAL C 27 91.806 8.032 0.113 1.00 0.00 C ATOM 1003 O VAL C 27 91.501 7.920 -1.075 1.00 0.00 O ATOM 1004 CB VAL C 27 90.051 7.991 1.885 1.00 0.00 C ATOM 1005 CG1 VAL C 27 88.971 8.423 0.888 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.399 7.162 2.996 1.00 0.00 C ATOM 0 H VAL C 27 91.953 6.977 3.094 1.00 0.00 H new ATOM 0 HA VAL C 27 90.678 6.307 0.654 1.00 0.00 H new ATOM 0 HB VAL C 27 90.526 8.872 2.317 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.214 9.013 1.405 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.423 9.024 0.099 1.00 0.00 H new ATOM 0 HG13 VAL C 27 88.506 7.540 0.450 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.640 7.761 3.499 1.00 0.00 H new ATOM 0 HG22 VAL C 27 88.935 6.276 2.564 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.158 6.859 3.717 1.00 0.00 H new ATOM 1016 N VAL C 28 92.673 8.909 0.534 1.00 0.00 N ATOM 1017 CA VAL C 28 93.331 9.811 -0.408 1.00 0.00 C ATOM 1018 C VAL C 28 94.358 9.107 -1.303 1.00 0.00 C ATOM 1019 O VAL C 28 94.538 9.504 -2.453 1.00 0.00 O ATOM 1020 CB VAL C 28 93.988 10.988 0.345 1.00 0.00 C ATOM 1021 CG1 VAL C 28 95.337 10.562 0.925 1.00 0.00 C ATOM 1022 CG2 VAL C 28 94.211 12.167 -0.613 1.00 0.00 C ATOM 0 H VAL C 28 92.948 9.029 1.509 1.00 0.00 H new ATOM 0 HA VAL C 28 92.553 10.190 -1.070 1.00 0.00 H new ATOM 0 HB VAL C 28 93.323 11.290 1.154 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.788 11.402 1.453 1.00 0.00 H new ATOM 0 HG12 VAL C 28 95.190 9.735 1.619 1.00 0.00 H new ATOM 0 HG13 VAL C 28 95.997 10.245 0.117 1.00 0.00 H new ATOM 0 HG21 VAL C 28 94.675 12.992 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL C 28 94.864 11.855 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL C 28 93.253 12.492 -1.019 1.00 0.00 H new ATOM 1032 N ALA C 29 95.054 8.119 -0.797 1.00 0.00 N ATOM 1033 CA ALA C 29 96.080 7.456 -1.604 1.00 0.00 C ATOM 1034 C ALA C 29 95.520 6.818 -2.876 1.00 0.00 C ATOM 1035 O ALA C 29 96.038 7.068 -3.964 1.00 0.00 O ATOM 1036 CB ALA C 29 96.782 6.384 -0.771 1.00 0.00 C ATOM 0 H ALA C 29 94.942 7.753 0.149 1.00 0.00 H new ATOM 0 HA ALA C 29 96.785 8.229 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA C 29 97.544 5.894 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.251 6.847 0.097 1.00 0.00 H new ATOM 0 HB3 ALA C 29 96.052 5.645 -0.439 1.00 0.00 H new ATOM 1042 N ALA C 30 94.507 5.997 -2.768 1.00 0.00 N ATOM 1043 CA ALA C 30 93.972 5.361 -3.952 1.00 0.00 C ATOM 1044 C ALA C 30 93.429 6.415 -4.911 1.00 0.00 C ATOM 1045 O ALA C 30 93.766 6.435 -6.095 1.00 0.00 O ATOM 1046 CB ALA C 30 92.871 4.424 -3.518 1.00 0.00 C ATOM 0 H ALA C 30 94.042 5.754 -1.893 1.00 0.00 H new ATOM 0 HA ALA C 30 94.752 4.805 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA C 30 92.448 3.929 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA C 30 93.278 3.675 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA C 30 92.091 4.990 -3.009 1.00 0.00 H new ATOM 1052 N SER C 31 92.615 7.282 -4.383 1.00 0.00 N ATOM 1053 CA SER C 31 92.042 8.359 -5.182 1.00 0.00 C ATOM 1054 C SER C 31 93.146 9.085 -5.959 1.00 0.00 C ATOM 1055 O SER C 31 93.027 9.315 -7.163 1.00 0.00 O ATOM 1056 CB SER C 31 91.328 9.350 -4.265 1.00 0.00 C ATOM 1057 OG SER C 31 90.851 10.444 -5.037 1.00 0.00 O ATOM 0 H SER C 31 92.325 7.276 -3.405 1.00 0.00 H new ATOM 0 HA SER C 31 91.330 7.935 -5.890 1.00 0.00 H new ATOM 0 HB2 SER C 31 90.498 8.860 -3.756 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.010 9.705 -3.493 1.00 0.00 H new ATOM 0 HG SER C 31 90.391 11.081 -4.452 1.00 0.00 H new ATOM 1063 N ILE C 32 94.181 9.464 -5.257 1.00 0.00 N ATOM 1064 CA ILE C 32 95.297 10.199 -5.858 1.00 0.00 C ATOM 1065 C ILE C 32 95.762 9.534 -7.161 1.00 0.00 C ATOM 1066 O ILE C 32 95.957 10.213 -8.168 1.00 0.00 O ATOM 1067 CB ILE C 32 96.454 10.276 -4.834 1.00 0.00 C ATOM 1068 CG1 ILE C 32 96.169 11.395 -3.801 1.00 0.00 C ATOM 1069 CG2 ILE C 32 97.801 10.531 -5.534 1.00 0.00 C ATOM 1070 CD1 ILE C 32 96.658 12.758 -4.315 1.00 0.00 C ATOM 0 H ILE C 32 94.288 9.281 -4.259 1.00 0.00 H new ATOM 0 HA ILE C 32 94.968 11.207 -6.112 1.00 0.00 H new ATOM 0 HB ILE C 32 96.519 9.317 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE C 32 95.099 11.442 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE C 32 96.663 11.159 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.595 10.580 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE C 32 98.008 9.719 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE C 32 97.755 11.474 -6.078 1.00 0.00 H new ATOM 0 HD11 ILE C 32 96.445 13.525 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE C 32 97.732 12.715 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE C 32 96.144 13.002 -5.245 1.00 0.00 H new ATOM 1082 N ILE C 33 95.936 8.244 -7.151 1.00 0.00 N ATOM 1083 CA ILE C 33 96.371 7.550 -8.362 1.00 0.00 C ATOM 1084 C ILE C 33 95.320 7.724 -9.458 1.00 0.00 C ATOM 1085 O ILE C 33 95.638 7.840 -10.641 1.00 0.00 O ATOM 1086 CB ILE C 33 96.576 6.060 -8.074 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.720 5.886 -7.071 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.931 5.335 -9.373 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.722 4.451 -6.542 1.00 0.00 C ATOM 0 H ILE C 33 95.790 7.645 -6.338 1.00 0.00 H new ATOM 0 HA ILE C 33 97.317 7.977 -8.695 1.00 0.00 H new ATOM 0 HB ILE C 33 95.659 5.642 -7.659 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.674 6.110 -7.549 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.604 6.589 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.077 4.274 -9.169 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.121 5.458 -10.092 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.848 5.755 -9.785 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.536 4.328 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.772 4.244 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.859 3.758 -7.372 1.00 0.00 H new ATOM 1101 N GLY C 34 94.086 7.695 -9.048 1.00 0.00 N ATOM 1102 CA GLY C 34 92.960 7.800 -9.974 1.00 0.00 C ATOM 1103 C GLY C 34 93.126 8.949 -10.978 1.00 0.00 C ATOM 1104 O GLY C 34 92.951 8.748 -12.178 1.00 0.00 O ATOM 0 H GLY C 34 93.816 7.599 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.852 6.861 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY C 34 92.041 7.948 -9.407 1.00 0.00 H new ATOM 1108 N ILE C 35 93.441 10.124 -10.509 1.00 0.00 N ATOM 1109 CA ILE C 35 93.600 11.266 -11.414 1.00 0.00 C ATOM 1110 C ILE C 35 94.853 11.135 -12.278 1.00 0.00 C ATOM 1111 O ILE C 35 94.901 11.646 -13.396 1.00 0.00 O ATOM 1112 CB ILE C 35 93.652 12.575 -10.624 1.00 0.00 C ATOM 1113 CG1 ILE C 35 94.722 12.482 -9.537 1.00 0.00 C ATOM 1114 CG2 ILE C 35 92.292 12.832 -9.974 1.00 0.00 C ATOM 1115 CD1 ILE C 35 94.983 13.874 -8.960 1.00 0.00 C ATOM 0 H ILE C 35 93.594 10.331 -9.522 1.00 0.00 H new ATOM 0 HA ILE C 35 92.733 11.277 -12.075 1.00 0.00 H new ATOM 0 HB ILE C 35 93.896 13.393 -11.302 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.396 11.804 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.642 12.070 -9.951 1.00 0.00 H new ATOM 0 HG21 ILE C 35 92.328 13.765 -9.411 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.527 12.904 -10.747 1.00 0.00 H new ATOM 0 HG23 ILE C 35 92.050 12.010 -9.300 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.746 13.809 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE C 35 95.327 14.538 -9.753 1.00 0.00 H new ATOM 0 HD13 ILE C 35 94.062 14.268 -8.531 1.00 0.00 H new ATOM 1127 N LEU C 36 95.850 10.473 -11.764 1.00 0.00 N ATOM 1128 CA LEU C 36 97.101 10.297 -12.500 1.00 0.00 C ATOM 1129 C LEU C 36 96.872 9.560 -13.820 1.00 0.00 C ATOM 1130 O LEU C 36 97.536 9.844 -14.817 1.00 0.00 O ATOM 1131 CB LEU C 36 98.096 9.505 -11.639 1.00 0.00 C ATOM 1132 CG LEU C 36 99.473 9.421 -12.327 1.00 0.00 C ATOM 1133 CD1 LEU C 36 100.195 10.776 -12.260 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.318 8.355 -11.619 1.00 0.00 C ATOM 0 H LEU C 36 95.836 10.041 -10.840 1.00 0.00 H new ATOM 0 HA LEU C 36 97.503 11.284 -12.726 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.200 9.982 -10.665 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.711 8.501 -11.462 1.00 0.00 H new ATOM 0 HG LEU C 36 99.332 9.156 -13.375 1.00 0.00 H new ATOM 0 HD11 LEU C 36 101.165 10.696 -12.751 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.595 11.533 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.338 11.061 -11.218 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.295 8.288 -12.098 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.446 8.629 -10.572 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.815 7.390 -11.683 1.00 0.00 H new ATOM 1146 N HIS C 37 95.965 8.620 -13.822 1.00 0.00 N ATOM 1147 CA HIS C 37 95.691 7.845 -15.030 1.00 0.00 C ATOM 1148 C HIS C 37 94.956 8.657 -16.098 1.00 0.00 C ATOM 1149 O HIS C 37 95.102 8.386 -17.290 1.00 0.00 O ATOM 1150 CB HIS C 37 94.904 6.571 -14.684 1.00 0.00 C ATOM 1151 CG HIS C 37 93.460 6.880 -14.371 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.677 7.710 -15.161 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.639 6.446 -13.360 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.447 7.748 -14.615 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.371 6.996 -13.515 1.00 0.00 N ATOM 0 H HIS C 37 95.400 8.364 -13.012 1.00 0.00 H new ATOM 0 HA HIS C 37 96.656 7.567 -15.454 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.955 5.873 -15.519 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.365 6.078 -13.828 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.933 5.778 -12.564 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.622 8.317 -15.018 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.557 6.855 -12.916 1.00 0.00 H new ATOM 1164 N PHE C 38 94.159 9.611 -15.691 1.00 0.00 N ATOM 1165 CA PHE C 38 93.401 10.403 -16.661 1.00 0.00 C ATOM 1166 C PHE C 38 94.324 11.157 -17.618 1.00 0.00 C ATOM 1167 O PHE C 38 94.151 11.084 -18.833 1.00 0.00 O ATOM 1168 CB PHE C 38 92.486 11.399 -15.941 1.00 0.00 C ATOM 1169 CG PHE C 38 91.728 12.211 -16.968 1.00 0.00 C ATOM 1170 CD1 PHE C 38 92.342 13.314 -17.574 1.00 0.00 C ATOM 1171 CD2 PHE C 38 90.413 11.862 -17.321 1.00 0.00 C ATOM 1172 CE1 PHE C 38 91.651 14.067 -18.530 1.00 0.00 C ATOM 1173 CE2 PHE C 38 89.724 12.616 -18.278 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.342 13.718 -18.882 1.00 0.00 C ATOM 0 H PHE C 38 94.010 9.866 -14.715 1.00 0.00 H new ATOM 0 HA PHE C 38 92.796 9.709 -17.245 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.789 10.868 -15.293 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.076 12.057 -15.303 1.00 0.00 H new ATOM 0 HD1 PHE C 38 93.352 13.584 -17.303 1.00 0.00 H new ATOM 0 HD2 PHE C 38 89.935 11.013 -16.855 1.00 0.00 H new ATOM 0 HE1 PHE C 38 92.127 14.917 -18.996 1.00 0.00 H new ATOM 0 HE2 PHE C 38 88.714 12.348 -18.551 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.808 14.299 -19.620 1.00 0.00 H new ATOM 1184 N ILE C 39 95.274 11.880 -17.091 1.00 0.00 N ATOM 1185 CA ILE C 39 96.181 12.641 -17.948 1.00 0.00 C ATOM 1186 C ILE C 39 96.941 11.708 -18.884 1.00 0.00 C ATOM 1187 O ILE C 39 97.290 12.083 -19.997 1.00 0.00 O ATOM 1188 CB ILE C 39 97.168 13.457 -17.101 1.00 0.00 C ATOM 1189 CG1 ILE C 39 98.180 14.182 -18.009 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.922 12.525 -16.150 1.00 0.00 C ATOM 1191 CD1 ILE C 39 97.447 15.035 -19.053 1.00 0.00 C ATOM 0 H ILE C 39 95.450 11.967 -16.090 1.00 0.00 H new ATOM 0 HA ILE C 39 95.585 13.329 -18.548 1.00 0.00 H new ATOM 0 HB ILE C 39 96.609 14.196 -16.528 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.831 14.814 -17.406 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.817 13.453 -18.509 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.622 13.106 -15.550 1.00 0.00 H new ATOM 0 HG22 ILE C 39 97.211 12.023 -15.494 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.470 11.781 -16.728 1.00 0.00 H new ATOM 0 HD11 ILE C 39 98.176 15.541 -19.686 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.815 14.394 -19.668 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.829 15.777 -18.548 1.00 0.00 H new ATOM 1203 N ALA C 40 97.181 10.510 -18.441 1.00 0.00 N ATOM 1204 CA ALA C 40 97.877 9.543 -19.274 1.00 0.00 C ATOM 1205 C ALA C 40 96.963 9.068 -20.400 1.00 0.00 C ATOM 1206 O ALA C 40 97.421 8.745 -21.491 1.00 0.00 O ATOM 1207 CB ALA C 40 98.333 8.347 -18.436 1.00 0.00 C ATOM 0 H ALA C 40 96.913 10.170 -17.518 1.00 0.00 H new ATOM 0 HA ALA C 40 98.755 10.025 -19.705 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.852 7.632 -19.074 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.007 8.689 -17.651 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.465 7.867 -17.985 1.00 0.00 H new ATOM 1213 N TRP C 41 95.692 8.993 -20.108 1.00 0.00 N ATOM 1214 CA TRP C 41 94.695 8.512 -21.059 1.00 0.00 C ATOM 1215 C TRP C 41 94.808 9.192 -22.423 1.00 0.00 C ATOM 1216 O TRP C 41 94.866 8.522 -23.454 1.00 0.00 O ATOM 1217 CB TRP C 41 93.316 8.793 -20.463 1.00 0.00 C ATOM 1218 CG TRP C 41 92.266 8.054 -21.214 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.925 8.284 -22.501 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.398 6.985 -20.741 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.913 7.410 -22.856 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.554 6.590 -21.802 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.269 6.322 -19.506 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.613 5.574 -21.646 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.320 5.299 -19.344 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.494 4.926 -20.414 1.00 0.00 C ATOM 0 H TRP C 41 95.306 9.262 -19.203 1.00 0.00 H new ATOM 0 HA TRP C 41 94.856 7.447 -21.225 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.299 8.496 -19.414 1.00 0.00 H new ATOM 0 HB3 TRP C 41 93.110 9.863 -20.495 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.369 9.028 -23.146 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.485 7.375 -23.781 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.904 6.602 -18.678 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.979 5.289 -22.473 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.226 4.798 -18.392 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.766 4.138 -20.286 1.00 0.00 H new ATOM 1237 N THR C 42 94.817 10.490 -22.428 1.00 0.00 N ATOM 1238 CA THR C 42 94.900 11.243 -23.678 1.00 0.00 C ATOM 1239 C THR C 42 96.045 10.745 -24.560 1.00 0.00 C ATOM 1240 O THR C 42 95.986 10.866 -25.783 1.00 0.00 O ATOM 1241 CB THR C 42 95.093 12.733 -23.388 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.711 13.355 -24.508 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.981 12.895 -22.161 1.00 0.00 C ATOM 0 H THR C 42 94.768 11.066 -21.588 1.00 0.00 H new ATOM 0 HA THR C 42 93.963 11.091 -24.214 1.00 0.00 H new ATOM 0 HB THR C 42 94.126 13.200 -23.202 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.834 14.310 -24.325 1.00 0.00 H new ATOM 0 HG21 THR C 42 96.121 13.955 -21.951 1.00 0.00 H new ATOM 0 HG22 THR C 42 95.509 12.414 -21.304 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.949 12.431 -22.349 1.00 0.00 H new ATOM 1251 N ILE C 43 97.078 10.216 -23.955 1.00 0.00 N ATOM 1252 CA ILE C 43 98.232 9.736 -24.715 1.00 0.00 C ATOM 1253 C ILE C 43 97.871 8.511 -25.565 1.00 0.00 C ATOM 1254 O ILE C 43 98.390 8.349 -26.664 1.00 0.00 O ATOM 1255 CB ILE C 43 99.401 9.434 -23.733 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.749 9.819 -24.364 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.447 7.945 -23.341 1.00 0.00 C ATOM 1258 CD1 ILE C 43 101.875 9.569 -23.355 1.00 0.00 C ATOM 0 H ILE C 43 97.155 10.102 -22.944 1.00 0.00 H new ATOM 0 HA ILE C 43 98.551 10.512 -25.411 1.00 0.00 H new ATOM 0 HB ILE C 43 99.224 10.029 -22.837 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.920 9.234 -25.268 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.738 10.868 -24.660 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.277 7.775 -22.655 1.00 0.00 H new ATOM 0 HG22 ILE C 43 98.511 7.668 -22.855 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.586 7.337 -24.235 1.00 0.00 H new ATOM 0 HD11 ILE C 43 102.831 9.842 -23.802 1.00 0.00 H new ATOM 0 HD12 ILE C 43 101.706 10.173 -22.464 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.890 8.514 -23.081 1.00 0.00 H new ATOM 1270 N GLY C 44 97.005 7.673 -25.053 1.00 0.00 N ATOM 1271 CA GLY C 44 96.575 6.467 -25.768 1.00 0.00 C ATOM 1272 C GLY C 44 95.642 6.793 -26.938 1.00 0.00 C ATOM 1273 O GLY C 44 95.578 6.055 -27.920 1.00 0.00 O ATOM 0 H GLY C 44 96.573 7.793 -24.137 1.00 0.00 H new ATOM 0 HA2 GLY C 44 97.451 5.935 -26.140 1.00 0.00 H new ATOM 0 HA3 GLY C 44 96.066 5.797 -25.075 1.00 0.00 H new ATOM 1277 N HIS C 45 94.913 7.864 -26.804 1.00 0.00 N ATOM 1278 CA HIS C 45 93.950 8.279 -27.825 1.00 0.00 C ATOM 1279 C HIS C 45 94.557 8.332 -29.233 1.00 0.00 C ATOM 1280 O HIS C 45 93.853 8.109 -30.218 1.00 0.00 O ATOM 1281 CB HIS C 45 93.378 9.650 -27.464 1.00 0.00 C ATOM 1282 CG HIS C 45 92.300 10.016 -28.448 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.454 11.044 -29.364 1.00 0.00 N ATOM 1284 CD2 HIS C 45 91.049 9.495 -28.676 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.325 11.110 -30.093 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.437 10.187 -29.716 1.00 0.00 N ATOM 0 H HIS C 45 94.957 8.482 -25.994 1.00 0.00 H new ATOM 0 HA HIS C 45 93.161 7.527 -27.844 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.972 9.632 -26.453 1.00 0.00 H new ATOM 0 HB3 HIS C 45 94.168 10.401 -27.477 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.608 8.673 -28.131 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.157 11.823 -30.887 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.509 10.024 -30.107 1.00 0.00 H new ATOM 1295 N LEU C 46 95.814 8.675 -29.344 1.00 0.00 N ATOM 1296 CA LEU C 46 96.426 8.812 -30.670 1.00 0.00 C ATOM 1297 C LEU C 46 96.042 7.657 -31.597 1.00 0.00 C ATOM 1298 O LEU C 46 95.903 7.866 -32.803 1.00 0.00 O ATOM 1299 CB LEU C 46 97.967 8.992 -30.588 1.00 0.00 C ATOM 1300 CG LEU C 46 98.761 7.694 -30.235 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.124 6.934 -29.060 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.919 6.757 -31.459 1.00 0.00 C ATOM 0 H LEU C 46 96.436 8.865 -28.558 1.00 0.00 H new ATOM 0 HA LEU C 46 96.022 9.725 -31.107 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.326 9.371 -31.545 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.190 9.752 -29.840 1.00 0.00 H new ATOM 0 HG LEU C 46 99.756 8.019 -29.930 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.707 6.038 -28.847 1.00 0.00 H new ATOM 0 HD12 LEU C 46 98.108 7.575 -28.178 1.00 0.00 H new ATOM 0 HD13 LEU C 46 97.104 6.650 -29.320 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.477 5.868 -31.167 1.00 0.00 H new ATOM 0 HD22 LEU C 46 97.934 6.464 -31.822 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.457 7.279 -32.250 1.00 0.00 H new ATOM 1314 N ASN C 47 95.838 6.481 -31.076 1.00 0.00 N ATOM 1315 CA ASN C 47 95.432 5.374 -31.943 1.00 0.00 C ATOM 1316 C ASN C 47 94.066 5.673 -32.586 1.00 0.00 C ATOM 1317 O ASN C 47 93.898 5.554 -33.798 1.00 0.00 O ATOM 1318 CB ASN C 47 95.345 4.076 -31.138 1.00 0.00 C ATOM 1319 CG ASN C 47 96.658 3.836 -30.401 1.00 0.00 C ATOM 1320 OD1 ASN C 47 96.672 3.848 -29.097 1.00 0.00 O flip ATOM 1321 ND2 ASN C 47 97.697 3.637 -31.030 1.00 0.00 N flip ATOM 0 H ASN C 47 95.938 6.251 -30.087 1.00 0.00 H new ATOM 0 HA ASN C 47 96.179 5.260 -32.728 1.00 0.00 H new ATOM 0 HB2 ASN C 47 94.523 4.134 -30.425 1.00 0.00 H new ATOM 0 HB3 ASN C 47 95.132 3.239 -31.803 1.00 0.00 H new ATOM 0 HD21 ASN C 47 97.682 3.628 -32.050 1.00 0.00 H new ATOM 0 HD22 ASN C 47 98.573 3.481 -30.531 1.00 0.00 H new ATOM 1328 N GLN C 48 93.108 6.045 -31.774 1.00 0.00 N ATOM 1329 CA GLN C 48 91.759 6.347 -32.257 1.00 0.00 C ATOM 1330 C GLN C 48 91.777 7.249 -33.502 1.00 0.00 C ATOM 1331 O GLN C 48 91.260 6.873 -34.554 1.00 0.00 O ATOM 1332 CB GLN C 48 90.951 7.039 -31.141 1.00 0.00 C ATOM 1333 CG GLN C 48 90.411 5.995 -30.155 1.00 0.00 C ATOM 1334 CD GLN C 48 91.562 5.250 -29.486 1.00 0.00 C ATOM 1335 OE1 GLN C 48 92.647 5.804 -29.313 1.00 0.00 O ATOM 1336 NE2 GLN C 48 91.385 4.019 -29.093 1.00 0.00 N ATOM 0 H GLN C 48 93.226 6.150 -30.766 1.00 0.00 H new ATOM 0 HA GLN C 48 91.293 5.402 -32.535 1.00 0.00 H new ATOM 0 HB2 GLN C 48 91.582 7.755 -30.615 1.00 0.00 H new ATOM 0 HB3 GLN C 48 90.125 7.602 -31.575 1.00 0.00 H new ATOM 0 HG2 GLN C 48 89.797 6.483 -29.398 1.00 0.00 H new ATOM 0 HG3 GLN C 48 89.768 5.288 -30.680 1.00 0.00 H new ATOM 0 HE21 GLN C 48 90.485 3.562 -29.238 1.00 0.00 H new ATOM 0 HE22 GLN C 48 92.147 3.513 -28.641 1.00 0.00 H new ATOM 1345 N ILE C 49 92.334 8.424 -33.369 1.00 0.00 N ATOM 1346 CA ILE C 49 92.377 9.377 -34.482 1.00 0.00 C ATOM 1347 C ILE C 49 93.073 8.786 -35.709 1.00 0.00 C ATOM 1348 O ILE C 49 92.763 9.162 -36.840 1.00 0.00 O ATOM 1349 CB ILE C 49 93.093 10.656 -34.040 1.00 0.00 C ATOM 1350 CG1 ILE C 49 93.270 11.602 -35.234 1.00 0.00 C ATOM 1351 CG2 ILE C 49 94.458 10.294 -33.468 1.00 0.00 C ATOM 1352 CD1 ILE C 49 93.702 12.984 -34.734 1.00 0.00 C ATOM 0 H ILE C 49 92.768 8.757 -32.508 1.00 0.00 H new ATOM 0 HA ILE C 49 91.350 9.608 -34.764 1.00 0.00 H new ATOM 0 HB ILE C 49 92.495 11.158 -33.279 1.00 0.00 H new ATOM 0 HG12 ILE C 49 94.017 11.202 -35.920 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.336 11.681 -35.790 1.00 0.00 H new ATOM 0 HG21 ILE C 49 94.972 11.202 -33.152 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.330 9.632 -32.611 1.00 0.00 H new ATOM 0 HG23 ILE C 49 95.050 9.789 -34.231 1.00 0.00 H new ATOM 0 HD11 ILE C 49 93.827 13.655 -35.583 1.00 0.00 H new ATOM 0 HD12 ILE C 49 92.940 13.384 -34.065 1.00 0.00 H new ATOM 0 HD13 ILE C 49 94.647 12.898 -34.197 1.00 0.00 H new ATOM 1364 N LYS C 50 93.995 7.887 -35.497 1.00 0.00 N ATOM 1365 CA LYS C 50 94.709 7.277 -36.618 1.00 0.00 C ATOM 1366 C LYS C 50 93.731 6.528 -37.521 1.00 0.00 C ATOM 1367 O LYS C 50 93.782 6.656 -38.744 1.00 0.00 O ATOM 1368 CB LYS C 50 95.784 6.309 -36.103 1.00 0.00 C ATOM 1369 CG LYS C 50 96.671 5.817 -37.265 1.00 0.00 C ATOM 1370 CD LYS C 50 97.757 6.850 -37.590 1.00 0.00 C ATOM 1371 CE LYS C 50 98.754 6.235 -38.575 1.00 0.00 C ATOM 1372 NZ LYS C 50 99.624 7.306 -39.136 1.00 0.00 N ATOM 0 H LYS C 50 94.277 7.554 -34.575 1.00 0.00 H new ATOM 0 HA LYS C 50 95.191 8.068 -37.192 1.00 0.00 H new ATOM 0 HB2 LYS C 50 96.400 6.806 -35.353 1.00 0.00 H new ATOM 0 HB3 LYS C 50 95.311 5.458 -35.614 1.00 0.00 H new ATOM 0 HG2 LYS C 50 97.134 4.866 -36.999 1.00 0.00 H new ATOM 0 HG3 LYS C 50 96.057 5.637 -38.147 1.00 0.00 H new ATOM 0 HD2 LYS C 50 97.308 7.745 -38.019 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.270 7.156 -36.678 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.363 5.484 -38.071 1.00 0.00 H new ATOM 0 HE3 LYS C 50 98.221 5.727 -39.379 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 99.401 7.443 -40.142 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 99.458 8.194 -38.620 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 100.622 7.030 -39.037 1.00 0.00 H new ATOM 1386 N ARG C 51 92.860 5.764 -36.924 1.00 0.00 N ATOM 1387 CA ARG C 51 91.880 5.001 -37.689 1.00 0.00 C ATOM 1388 C ARG C 51 91.108 5.921 -38.628 1.00 0.00 C ATOM 1389 O ARG C 51 90.635 6.983 -38.224 1.00 0.00 O ATOM 1390 CB ARG C 51 90.907 4.292 -36.730 1.00 0.00 C ATOM 1391 CG ARG C 51 90.005 3.287 -37.496 1.00 0.00 C ATOM 1392 CD ARG C 51 88.636 3.912 -37.802 1.00 0.00 C ATOM 1393 NE ARG C 51 87.904 4.159 -36.565 1.00 0.00 N ATOM 1394 CZ ARG C 51 86.696 4.652 -36.583 1.00 0.00 C ATOM 1395 NH1 ARG C 51 86.124 4.936 -37.720 1.00 0.00 N ATOM 1396 NH2 ARG C 51 86.060 4.863 -35.463 1.00 0.00 N ATOM 0 H ARG C 51 92.798 5.645 -35.913 1.00 0.00 H new ATOM 0 HA ARG C 51 92.404 4.254 -38.285 1.00 0.00 H new ATOM 0 HB2 ARG C 51 91.470 3.766 -35.958 1.00 0.00 H new ATOM 0 HB3 ARG C 51 90.286 5.031 -36.224 1.00 0.00 H new ATOM 0 HG2 ARG C 51 90.491 2.990 -38.425 1.00 0.00 H new ATOM 0 HG3 ARG C 51 89.873 2.383 -36.902 1.00 0.00 H new ATOM 0 HD2 ARG C 51 88.769 4.847 -38.347 1.00 0.00 H new ATOM 0 HD3 ARG C 51 88.061 3.247 -38.446 1.00 0.00 H new ATOM 0 HE ARG C 51 88.344 3.943 -35.671 1.00 0.00 H new ATOM 0 HH11 ARG C 51 86.621 4.773 -38.596 1.00 0.00 H new ATOM 0 HH12 ARG C 51 85.180 5.321 -37.734 1.00 0.00 H new ATOM 0 HH21 ARG C 51 86.507 4.643 -34.573 1.00 0.00 H new ATOM 0 HH22 ARG C 51 85.116 5.248 -35.478 1.00 0.00 H new ATOM 1410 N GLY C 52 90.988 5.514 -39.863 1.00 0.00 N ATOM 1411 CA GLY C 52 90.271 6.310 -40.854 1.00 0.00 C ATOM 1412 C GLY C 52 90.773 7.750 -40.862 1.00 0.00 C ATOM 0 H GLY C 52 91.373 4.639 -40.218 1.00 0.00 H new ATOM 0 HA2 GLY C 52 90.401 5.870 -41.843 1.00 0.00 H new ATOM 0 HA3 GLY C 52 89.203 6.294 -40.636 1.00 0.00 H new TER 1416 GLY C 52 ATOM 1417 N SER D 23 85.615 -4.089 10.667 1.00 0.00 N ATOM 1418 CA SER D 23 85.619 -3.351 9.372 1.00 0.00 C ATOM 1419 C SER D 23 86.813 -3.803 8.537 1.00 0.00 C ATOM 1420 O SER D 23 87.964 -3.593 8.919 1.00 0.00 O ATOM 1421 CB SER D 23 85.709 -1.851 9.646 1.00 0.00 C ATOM 1422 OG SER D 23 85.909 -1.162 8.419 1.00 0.00 O ATOM 0 HA SER D 23 84.700 -3.560 8.824 1.00 0.00 H new ATOM 0 HB2 SER D 23 84.796 -1.502 10.128 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.531 -1.643 10.331 1.00 0.00 H new ATOM 0 HG SER D 23 85.966 -0.199 8.590 1.00 0.00 H new ATOM 1427 N ASP D 24 86.534 -4.423 7.421 1.00 0.00 N ATOM 1428 CA ASP D 24 87.586 -4.912 6.545 1.00 0.00 C ATOM 1429 C ASP D 24 88.190 -3.747 5.751 1.00 0.00 C ATOM 1430 O ASP D 24 87.451 -3.044 5.074 1.00 0.00 O ATOM 1431 CB ASP D 24 86.996 -5.936 5.571 1.00 0.00 C ATOM 1432 CG ASP D 24 88.108 -6.588 4.757 1.00 0.00 C ATOM 1433 OD1 ASP D 24 89.133 -6.906 5.338 1.00 0.00 O ATOM 1434 OD2 ASP D 24 87.918 -6.764 3.565 1.00 0.00 O ATOM 0 H ASP D 24 85.587 -4.606 7.089 1.00 0.00 H new ATOM 0 HA ASP D 24 88.366 -5.378 7.146 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.444 -6.697 6.122 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.285 -5.447 4.904 1.00 0.00 H new ATOM 1439 N PRO D 25 89.490 -3.514 5.810 1.00 0.00 N ATOM 1440 CA PRO D 25 90.139 -2.395 5.048 1.00 0.00 C ATOM 1441 C PRO D 25 89.689 -2.312 3.579 1.00 0.00 C ATOM 1442 O PRO D 25 90.449 -2.635 2.668 1.00 0.00 O ATOM 1443 CB PRO D 25 91.639 -2.711 5.150 1.00 0.00 C ATOM 1444 CG PRO D 25 91.792 -3.489 6.416 1.00 0.00 C ATOM 1445 CD PRO D 25 90.485 -4.265 6.611 1.00 0.00 C ATOM 0 HA PRO D 25 89.867 -1.424 5.460 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.979 -3.288 4.290 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.233 -1.797 5.175 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.641 -4.169 6.353 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.978 -2.824 7.260 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.578 -5.295 6.265 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.200 -4.306 7.662 1.00 0.00 H new ATOM 1453 N LEU D 26 88.479 -1.874 3.362 1.00 0.00 N ATOM 1454 CA LEU D 26 87.954 -1.734 2.000 1.00 0.00 C ATOM 1455 C LEU D 26 88.678 -0.605 1.263 1.00 0.00 C ATOM 1456 O LEU D 26 88.993 -0.724 0.080 1.00 0.00 O ATOM 1457 CB LEU D 26 86.434 -1.437 2.060 1.00 0.00 C ATOM 1458 CG LEU D 26 85.610 -2.707 1.798 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.842 -3.724 2.913 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.124 -2.341 1.754 1.00 0.00 C ATOM 0 H LEU D 26 87.827 -1.604 4.098 1.00 0.00 H new ATOM 0 HA LEU D 26 88.121 -2.665 1.458 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.179 -1.030 3.038 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.180 -0.676 1.322 1.00 0.00 H new ATOM 0 HG LEU D 26 85.918 -3.143 0.847 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.253 -4.620 2.717 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.899 -3.986 2.952 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.540 -3.293 3.867 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.534 -3.238 1.568 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.829 -1.903 2.708 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.950 -1.621 0.955 1.00 0.00 H new ATOM 1472 N VAL D 27 88.899 0.480 1.943 1.00 0.00 N ATOM 1473 CA VAL D 27 89.546 1.629 1.328 1.00 0.00 C ATOM 1474 C VAL D 27 90.906 1.265 0.735 1.00 0.00 C ATOM 1475 O VAL D 27 91.170 1.564 -0.430 1.00 0.00 O ATOM 1476 CB VAL D 27 89.731 2.733 2.371 1.00 0.00 C ATOM 1477 CG1 VAL D 27 90.253 3.996 1.692 1.00 0.00 C ATOM 1478 CG2 VAL D 27 88.390 3.047 3.044 1.00 0.00 C ATOM 0 H VAL D 27 88.646 0.606 2.923 1.00 0.00 H new ATOM 0 HA VAL D 27 88.905 1.976 0.518 1.00 0.00 H new ATOM 0 HB VAL D 27 90.445 2.394 3.122 1.00 0.00 H new ATOM 0 HG11 VAL D 27 90.384 4.781 2.436 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.210 3.784 1.216 1.00 0.00 H new ATOM 0 HG13 VAL D 27 89.538 4.326 0.938 1.00 0.00 H new ATOM 0 HG21 VAL D 27 88.530 3.834 3.785 1.00 0.00 H new ATOM 0 HG22 VAL D 27 87.675 3.380 2.292 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.010 2.151 3.534 1.00 0.00 H new ATOM 1488 N VAL D 28 91.751 0.628 1.502 1.00 0.00 N ATOM 1489 CA VAL D 28 93.069 0.233 1.014 1.00 0.00 C ATOM 1490 C VAL D 28 92.970 -0.919 0.021 1.00 0.00 C ATOM 1491 O VAL D 28 93.858 -1.119 -0.807 1.00 0.00 O ATOM 1492 CB VAL D 28 93.972 -0.174 2.185 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.488 -1.498 2.773 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.409 -0.339 1.689 1.00 0.00 C ATOM 0 H VAL D 28 91.561 0.366 2.469 1.00 0.00 H new ATOM 0 HA VAL D 28 93.503 1.092 0.503 1.00 0.00 H new ATOM 0 HB VAL D 28 93.935 0.600 2.952 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.132 -1.784 3.605 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.464 -1.385 3.129 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.522 -2.271 2.005 1.00 0.00 H new ATOM 0 HG21 VAL D 28 96.050 -0.628 2.522 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.442 -1.111 0.920 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.760 0.604 1.271 1.00 0.00 H new ATOM 1504 N ALA D 29 91.912 -1.673 0.131 1.00 0.00 N ATOM 1505 CA ALA D 29 91.710 -2.823 -0.737 1.00 0.00 C ATOM 1506 C ALA D 29 91.632 -2.423 -2.208 1.00 0.00 C ATOM 1507 O ALA D 29 92.046 -3.191 -3.073 1.00 0.00 O ATOM 1508 CB ALA D 29 90.432 -3.566 -0.341 1.00 0.00 C ATOM 0 H ALA D 29 91.168 -1.520 0.812 1.00 0.00 H new ATOM 0 HA ALA D 29 92.573 -3.477 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA D 29 90.292 -4.424 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA D 29 90.515 -3.908 0.691 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.578 -2.895 -0.433 1.00 0.00 H new ATOM 1514 N ALA D 30 91.126 -1.248 -2.503 1.00 0.00 N ATOM 1515 CA ALA D 30 91.055 -0.842 -3.898 1.00 0.00 C ATOM 1516 C ALA D 30 92.451 -0.499 -4.423 1.00 0.00 C ATOM 1517 O ALA D 30 92.889 -1.011 -5.454 1.00 0.00 O ATOM 1518 CB ALA D 30 90.141 0.355 -4.020 1.00 0.00 C ATOM 0 H ALA D 30 90.768 -0.573 -1.827 1.00 0.00 H new ATOM 0 HA ALA D 30 90.658 -1.664 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA D 30 90.084 0.664 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA D 30 89.145 0.090 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.534 1.176 -3.420 1.00 0.00 H new ATOM 1524 N SER D 31 93.120 0.366 -3.710 1.00 0.00 N ATOM 1525 CA SER D 31 94.434 0.826 -4.032 1.00 0.00 C ATOM 1526 C SER D 31 95.411 -0.323 -4.347 1.00 0.00 C ATOM 1527 O SER D 31 96.383 -0.137 -5.078 1.00 0.00 O ATOM 1528 CB SER D 31 94.876 1.619 -2.804 1.00 0.00 C ATOM 1529 OG SER D 31 93.790 1.711 -1.889 1.00 0.00 O ATOM 0 H SER D 31 92.746 0.783 -2.857 1.00 0.00 H new ATOM 0 HA SER D 31 94.430 1.429 -4.940 1.00 0.00 H new ATOM 0 HB2 SER D 31 95.727 1.131 -2.329 1.00 0.00 H new ATOM 0 HB3 SER D 31 95.204 2.616 -3.099 1.00 0.00 H new ATOM 0 HG SER D 31 93.952 2.447 -1.262 1.00 0.00 H new ATOM 1535 N ILE D 32 95.158 -1.473 -3.795 1.00 0.00 N ATOM 1536 CA ILE D 32 96.041 -2.618 -4.029 1.00 0.00 C ATOM 1537 C ILE D 32 96.127 -2.937 -5.526 1.00 0.00 C ATOM 1538 O ILE D 32 97.219 -3.093 -6.067 1.00 0.00 O ATOM 1539 CB ILE D 32 95.567 -3.845 -3.206 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.765 -4.736 -2.829 1.00 0.00 C ATOM 1541 CG2 ILE D 32 94.548 -4.681 -3.989 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.560 -5.129 -4.080 1.00 0.00 C ATOM 0 H ILE D 32 94.363 -1.660 -3.184 1.00 0.00 H new ATOM 0 HA ILE D 32 97.045 -2.362 -3.692 1.00 0.00 H new ATOM 0 HB ILE D 32 95.091 -3.467 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.413 -4.207 -2.131 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.412 -5.632 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE D 32 94.236 -5.533 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE D 32 93.679 -4.067 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE D 32 95.003 -5.038 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE D 32 98.402 -5.758 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE D 32 96.913 -5.678 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.930 -4.230 -4.573 1.00 0.00 H new ATOM 1554 N ILE D 33 95.005 -3.025 -6.182 1.00 0.00 N ATOM 1555 CA ILE D 33 95.008 -3.314 -7.611 1.00 0.00 C ATOM 1556 C ILE D 33 95.538 -2.117 -8.399 1.00 0.00 C ATOM 1557 O ILE D 33 96.073 -2.277 -9.494 1.00 0.00 O ATOM 1558 CB ILE D 33 93.593 -3.674 -8.090 1.00 0.00 C ATOM 1559 CG1 ILE D 33 93.196 -5.035 -7.512 1.00 0.00 C ATOM 1560 CG2 ILE D 33 93.565 -3.751 -9.622 1.00 0.00 C ATOM 1561 CD1 ILE D 33 91.704 -5.280 -7.751 1.00 0.00 C ATOM 0 H ILE D 33 94.081 -2.905 -5.768 1.00 0.00 H new ATOM 0 HA ILE D 33 95.665 -4.166 -7.785 1.00 0.00 H new ATOM 0 HB ILE D 33 92.894 -2.908 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.784 -5.825 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE D 33 93.413 -5.065 -6.444 1.00 0.00 H new ATOM 0 HG21 ILE D 33 92.559 -4.007 -9.955 1.00 0.00 H new ATOM 0 HG22 ILE D 33 93.851 -2.786 -10.040 1.00 0.00 H new ATOM 0 HG23 ILE D 33 94.265 -4.515 -9.961 1.00 0.00 H new ATOM 0 HD11 ILE D 33 91.424 -6.249 -7.339 1.00 0.00 H new ATOM 0 HD12 ILE D 33 91.124 -4.497 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE D 33 91.500 -5.269 -8.822 1.00 0.00 H new ATOM 1573 N GLY D 34 95.331 -0.935 -7.882 1.00 0.00 N ATOM 1574 CA GLY D 34 95.730 0.279 -8.584 1.00 0.00 C ATOM 1575 C GLY D 34 97.142 0.214 -9.160 1.00 0.00 C ATOM 1576 O GLY D 34 97.355 0.625 -10.302 1.00 0.00 O ATOM 0 H GLY D 34 94.889 -0.776 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY D 34 95.025 0.470 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.665 1.124 -7.898 1.00 0.00 H new ATOM 1580 N ILE D 35 98.093 -0.277 -8.418 1.00 0.00 N ATOM 1581 CA ILE D 35 99.455 -0.344 -8.949 1.00 0.00 C ATOM 1582 C ILE D 35 99.524 -1.307 -10.135 1.00 0.00 C ATOM 1583 O ILE D 35 100.346 -1.135 -11.035 1.00 0.00 O ATOM 1584 CB ILE D 35 100.447 -0.768 -7.867 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.953 -2.040 -7.182 1.00 0.00 C ATOM 1586 CG2 ILE D 35 100.576 0.353 -6.833 1.00 0.00 C ATOM 1587 CD1 ILE D 35 101.062 -2.600 -6.289 1.00 0.00 C ATOM 0 H ILE D 35 97.974 -0.631 -7.469 1.00 0.00 H new ATOM 0 HA ILE D 35 99.729 0.654 -9.291 1.00 0.00 H new ATOM 0 HB ILE D 35 101.418 -0.961 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE D 35 99.066 -1.824 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE D 35 99.664 -2.780 -7.929 1.00 0.00 H new ATOM 0 HG21 ILE D 35 101.283 0.054 -6.059 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.934 1.259 -7.322 1.00 0.00 H new ATOM 0 HG23 ILE D 35 99.603 0.545 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.711 -3.508 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.937 -2.831 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.329 -1.861 -5.534 1.00 0.00 H new ATOM 1599 N LEU D 36 98.671 -2.295 -10.133 1.00 0.00 N ATOM 1600 CA LEU D 36 98.639 -3.275 -11.216 1.00 0.00 C ATOM 1601 C LEU D 36 98.333 -2.595 -12.553 1.00 0.00 C ATOM 1602 O LEU D 36 98.982 -2.862 -13.564 1.00 0.00 O ATOM 1603 CB LEU D 36 97.559 -4.327 -10.920 1.00 0.00 C ATOM 1604 CG LEU D 36 97.752 -5.568 -11.816 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.789 -6.520 -11.200 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.417 -6.311 -11.957 1.00 0.00 C ATOM 0 H LEU D 36 97.982 -2.454 -9.398 1.00 0.00 H new ATOM 0 HA LEU D 36 99.617 -3.753 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.605 -4.618 -9.871 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.571 -3.899 -11.089 1.00 0.00 H new ATOM 0 HG LEU D 36 98.104 -5.239 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.913 -7.390 -11.845 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.744 -6.003 -11.101 1.00 0.00 H new ATOM 0 HD13 LEU D 36 98.447 -6.843 -10.217 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.554 -7.188 -12.590 1.00 0.00 H new ATOM 0 HD22 LEU D 36 96.070 -6.625 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.678 -5.649 -12.409 1.00 0.00 H new ATOM 1618 N HIS D 37 97.349 -1.739 -12.544 1.00 0.00 N ATOM 1619 CA HIS D 37 96.957 -1.035 -13.764 1.00 0.00 C ATOM 1620 C HIS D 37 98.015 -0.013 -14.175 1.00 0.00 C ATOM 1621 O HIS D 37 98.183 0.273 -15.360 1.00 0.00 O ATOM 1622 CB HIS D 37 95.582 -0.363 -13.604 1.00 0.00 C ATOM 1623 CG HIS D 37 95.663 0.909 -12.792 1.00 0.00 C ATOM 1624 ND1 HIS D 37 96.644 1.875 -12.984 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.859 1.395 -11.792 1.00 0.00 C ATOM 1626 CE1 HIS D 37 96.404 2.876 -12.119 1.00 0.00 C ATOM 1627 NE2 HIS D 37 95.329 2.634 -11.368 1.00 0.00 N ATOM 0 H HIS D 37 96.798 -1.503 -11.718 1.00 0.00 H new ATOM 0 HA HIS D 37 96.877 -1.777 -14.559 1.00 0.00 H new ATOM 0 HB2 HIS D 37 95.172 -0.139 -14.589 1.00 0.00 H new ATOM 0 HB3 HIS D 37 94.893 -1.057 -13.122 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.991 0.891 -11.393 1.00 0.00 H new ATOM 0 HE1 HIS D 37 97.008 3.768 -12.042 1.00 0.00 H new ATOM 0 HE2 HIS D 37 94.936 3.229 -10.639 1.00 0.00 H new ATOM 1636 N PHE D 38 98.707 0.533 -13.210 1.00 0.00 N ATOM 1637 CA PHE D 38 99.734 1.532 -13.494 1.00 0.00 C ATOM 1638 C PHE D 38 100.914 0.923 -14.253 1.00 0.00 C ATOM 1639 O PHE D 38 101.350 1.466 -15.267 1.00 0.00 O ATOM 1640 CB PHE D 38 100.239 2.154 -12.189 1.00 0.00 C ATOM 1641 CG PHE D 38 101.317 3.169 -12.499 1.00 0.00 C ATOM 1642 CD1 PHE D 38 102.653 2.761 -12.588 1.00 0.00 C ATOM 1643 CD2 PHE D 38 100.982 4.515 -12.702 1.00 0.00 C ATOM 1644 CE1 PHE D 38 103.654 3.696 -12.879 1.00 0.00 C ATOM 1645 CE2 PHE D 38 101.983 5.449 -12.993 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.319 5.040 -13.082 1.00 0.00 C ATOM 0 H PHE D 38 98.588 0.312 -12.221 1.00 0.00 H new ATOM 0 HA PHE D 38 99.281 2.301 -14.120 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.415 2.633 -11.659 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.633 1.378 -11.532 1.00 0.00 H new ATOM 0 HD1 PHE D 38 102.912 1.724 -12.432 1.00 0.00 H new ATOM 0 HD2 PHE D 38 99.952 4.831 -12.634 1.00 0.00 H new ATOM 0 HE1 PHE D 38 104.685 3.380 -12.947 1.00 0.00 H new ATOM 0 HE2 PHE D 38 101.725 6.486 -13.149 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.091 5.761 -13.307 1.00 0.00 H new ATOM 1656 N ILE D 39 101.433 -0.170 -13.762 1.00 0.00 N ATOM 1657 CA ILE D 39 102.577 -0.819 -14.400 1.00 0.00 C ATOM 1658 C ILE D 39 102.217 -1.381 -15.774 1.00 0.00 C ATOM 1659 O ILE D 39 103.014 -1.311 -16.708 1.00 0.00 O ATOM 1660 CB ILE D 39 103.093 -1.953 -13.516 1.00 0.00 C ATOM 1661 CG1 ILE D 39 103.518 -1.387 -12.159 1.00 0.00 C ATOM 1662 CG2 ILE D 39 104.295 -2.617 -14.188 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.716 -2.534 -11.168 1.00 0.00 C ATOM 0 H ILE D 39 101.092 -0.640 -12.923 1.00 0.00 H new ATOM 0 HA ILE D 39 103.350 -0.062 -14.531 1.00 0.00 H new ATOM 0 HB ILE D 39 102.303 -2.690 -13.373 1.00 0.00 H new ATOM 0 HG12 ILE D 39 104.442 -0.819 -12.263 1.00 0.00 H new ATOM 0 HG13 ILE D 39 102.760 -0.698 -11.787 1.00 0.00 H new ATOM 0 HG21 ILE D 39 104.663 -3.426 -13.557 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.995 -3.019 -15.156 1.00 0.00 H new ATOM 0 HG23 ILE D 39 105.085 -1.880 -14.331 1.00 0.00 H new ATOM 0 HD11 ILE D 39 104.019 -2.131 -10.201 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.781 -3.083 -11.056 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.489 -3.206 -11.539 1.00 0.00 H new ATOM 1675 N ALA D 40 101.040 -1.929 -15.888 1.00 0.00 N ATOM 1676 CA ALA D 40 100.595 -2.500 -17.150 1.00 0.00 C ATOM 1677 C ALA D 40 100.401 -1.403 -18.186 1.00 0.00 C ATOM 1678 O ALA D 40 100.492 -1.635 -19.384 1.00 0.00 O ATOM 1679 CB ALA D 40 99.287 -3.266 -16.945 1.00 0.00 C ATOM 0 H ALA D 40 100.363 -1.998 -15.128 1.00 0.00 H new ATOM 0 HA ALA D 40 101.357 -3.190 -17.511 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.961 -3.690 -17.895 1.00 0.00 H new ATOM 0 HB2 ALA D 40 99.444 -4.068 -16.224 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.522 -2.586 -16.570 1.00 0.00 H new ATOM 1685 N TRP D 41 100.101 -0.236 -17.724 1.00 0.00 N ATOM 1686 CA TRP D 41 99.863 0.891 -18.613 1.00 0.00 C ATOM 1687 C TRP D 41 101.056 1.144 -19.541 1.00 0.00 C ATOM 1688 O TRP D 41 100.887 1.345 -20.743 1.00 0.00 O ATOM 1689 CB TRP D 41 99.615 2.130 -17.757 1.00 0.00 C ATOM 1690 CG TRP D 41 99.168 3.270 -18.610 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.912 3.878 -19.567 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.894 3.969 -18.578 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.160 4.882 -20.142 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.913 4.980 -19.564 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.729 3.820 -17.803 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.820 5.811 -19.774 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.627 4.665 -18.009 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.673 5.658 -18.996 1.00 0.00 C ATOM 0 H TRP D 41 100.010 -0.020 -16.731 1.00 0.00 H new ATOM 0 HA TRP D 41 99.000 0.667 -19.240 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.859 1.913 -17.003 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.527 2.401 -17.225 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.926 3.619 -19.835 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.487 5.479 -20.902 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.682 3.051 -17.046 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.858 6.574 -20.538 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.740 4.549 -17.404 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.822 6.304 -19.154 1.00 0.00 H new ATOM 1709 N THR D 42 102.225 1.192 -18.969 1.00 0.00 N ATOM 1710 CA THR D 42 103.448 1.490 -19.718 1.00 0.00 C ATOM 1711 C THR D 42 103.609 0.662 -20.996 1.00 0.00 C ATOM 1712 O THR D 42 103.894 1.222 -22.055 1.00 0.00 O ATOM 1713 CB THR D 42 104.666 1.263 -18.823 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.649 -0.072 -18.338 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.630 2.237 -17.643 1.00 0.00 C ATOM 0 H THR D 42 102.375 1.029 -17.973 1.00 0.00 H new ATOM 0 HA THR D 42 103.370 2.533 -20.025 1.00 0.00 H new ATOM 0 HB THR D 42 105.576 1.432 -19.399 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.976 -0.155 -17.631 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.500 2.071 -17.008 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.643 3.261 -18.016 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.721 2.073 -17.064 1.00 0.00 H new ATOM 1723 N ILE D 43 103.464 -0.633 -20.915 1.00 0.00 N ATOM 1724 CA ILE D 43 103.645 -1.457 -22.111 1.00 0.00 C ATOM 1725 C ILE D 43 102.769 -0.958 -23.259 1.00 0.00 C ATOM 1726 O ILE D 43 103.132 -1.117 -24.420 1.00 0.00 O ATOM 1727 CB ILE D 43 103.354 -2.941 -21.832 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.073 -3.079 -21.012 1.00 0.00 C ATOM 1729 CG2 ILE D 43 104.523 -3.558 -21.057 1.00 0.00 C ATOM 1730 CD1 ILE D 43 101.541 -4.511 -21.112 1.00 0.00 C ATOM 0 H ILE D 43 103.227 -1.143 -20.064 1.00 0.00 H new ATOM 0 HA ILE D 43 104.691 -1.368 -22.403 1.00 0.00 H new ATOM 0 HB ILE D 43 103.229 -3.461 -22.782 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.269 -2.827 -19.970 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.322 -2.377 -21.374 1.00 0.00 H new ATOM 0 HG21 ILE D 43 104.315 -4.610 -20.860 1.00 0.00 H new ATOM 0 HG22 ILE D 43 105.436 -3.473 -21.647 1.00 0.00 H new ATOM 0 HG23 ILE D 43 104.652 -3.031 -20.112 1.00 0.00 H new ATOM 0 HD11 ILE D 43 100.627 -4.602 -20.525 1.00 0.00 H new ATOM 0 HD12 ILE D 43 101.327 -4.748 -22.154 1.00 0.00 H new ATOM 0 HD13 ILE D 43 102.289 -5.205 -20.728 1.00 0.00 H new ATOM 1742 N GLY D 44 101.642 -0.368 -22.945 1.00 0.00 N ATOM 1743 CA GLY D 44 100.748 0.136 -23.992 1.00 0.00 C ATOM 1744 C GLY D 44 101.472 1.148 -24.883 1.00 0.00 C ATOM 1745 O GLY D 44 101.414 1.063 -26.109 1.00 0.00 O ATOM 0 H GLY D 44 101.313 -0.220 -21.991 1.00 0.00 H new ATOM 0 HA2 GLY D 44 100.385 -0.694 -24.598 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.875 0.604 -23.537 1.00 0.00 H new ATOM 1749 N HIS D 45 102.078 2.126 -24.273 1.00 0.00 N ATOM 1750 CA HIS D 45 102.741 3.199 -25.010 1.00 0.00 C ATOM 1751 C HIS D 45 103.580 2.683 -26.181 1.00 0.00 C ATOM 1752 O HIS D 45 103.816 3.415 -27.139 1.00 0.00 O ATOM 1753 CB HIS D 45 103.630 4.002 -24.062 1.00 0.00 C ATOM 1754 CG HIS D 45 104.282 5.118 -24.834 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.599 5.053 -25.262 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.801 6.324 -25.281 1.00 0.00 C ATOM 1757 CE1 HIS D 45 105.863 6.190 -25.935 1.00 0.00 C ATOM 1758 NE2 HIS D 45 104.801 6.998 -25.977 1.00 0.00 N ATOM 0 H HIS D 45 102.135 2.215 -23.258 1.00 0.00 H new ATOM 0 HA HIS D 45 101.957 3.832 -25.427 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.037 4.407 -23.242 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.389 3.357 -23.619 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.799 6.694 -25.118 1.00 0.00 H new ATOM 0 HE1 HIS D 45 106.817 6.420 -26.386 1.00 0.00 H new ATOM 0 HE2 HIS D 45 104.736 7.913 -26.423 1.00 0.00 H new ATOM 1767 N LEU D 46 103.999 1.455 -26.135 1.00 0.00 N ATOM 1768 CA LEU D 46 104.775 0.922 -27.255 1.00 0.00 C ATOM 1769 C LEU D 46 103.958 1.121 -28.552 1.00 0.00 C ATOM 1770 O LEU D 46 104.483 1.536 -29.583 1.00 0.00 O ATOM 1771 CB LEU D 46 105.174 -0.563 -26.978 1.00 0.00 C ATOM 1772 CG LEU D 46 104.311 -1.606 -27.737 1.00 0.00 C ATOM 1773 CD1 LEU D 46 105.018 -2.971 -27.684 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.921 -1.737 -27.080 1.00 0.00 C ATOM 0 H LEU D 46 103.833 0.806 -25.366 1.00 0.00 H new ATOM 0 HA LEU D 46 105.716 1.458 -27.376 1.00 0.00 H new ATOM 0 HB2 LEU D 46 106.219 -0.704 -27.253 1.00 0.00 H new ATOM 0 HB3 LEU D 46 105.097 -0.754 -25.908 1.00 0.00 H new ATOM 0 HG LEU D 46 104.186 -1.279 -28.769 1.00 0.00 H new ATOM 0 HD11 LEU D 46 104.420 -3.712 -28.215 1.00 0.00 H new ATOM 0 HD12 LEU D 46 105.998 -2.892 -28.154 1.00 0.00 H new ATOM 0 HD13 LEU D 46 105.138 -3.278 -26.645 1.00 0.00 H new ATOM 0 HD21 LEU D 46 102.329 -2.472 -27.625 1.00 0.00 H new ATOM 0 HD22 LEU D 46 103.037 -2.059 -26.045 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.414 -0.772 -27.105 1.00 0.00 H new ATOM 1786 N ASN D 47 102.711 0.758 -28.472 1.00 0.00 N ATOM 1787 CA ASN D 47 101.798 0.810 -29.620 1.00 0.00 C ATOM 1788 C ASN D 47 101.920 2.130 -30.395 1.00 0.00 C ATOM 1789 O ASN D 47 101.803 2.142 -31.620 1.00 0.00 O ATOM 1790 CB ASN D 47 100.353 0.656 -29.132 1.00 0.00 C ATOM 1791 CG ASN D 47 100.066 -0.793 -28.754 1.00 0.00 C ATOM 1792 OD1 ASN D 47 100.056 -1.672 -29.617 1.00 0.00 O ATOM 1793 ND2 ASN D 47 99.822 -1.091 -27.508 1.00 0.00 N ATOM 0 H ASN D 47 102.279 0.414 -27.614 1.00 0.00 H new ATOM 0 HA ASN D 47 102.070 -0.005 -30.291 1.00 0.00 H new ATOM 0 HB2 ASN D 47 100.183 1.303 -28.271 1.00 0.00 H new ATOM 0 HB3 ASN D 47 99.664 0.977 -29.913 1.00 0.00 H new ATOM 0 HD21 ASN D 47 99.622 -2.056 -27.244 1.00 0.00 H new ATOM 0 HD22 ASN D 47 99.832 -0.359 -26.797 1.00 0.00 H new ATOM 1800 N GLN D 48 102.153 3.212 -29.708 1.00 0.00 N ATOM 1801 CA GLN D 48 102.285 4.510 -30.367 1.00 0.00 C ATOM 1802 C GLN D 48 103.663 4.648 -31.030 1.00 0.00 C ATOM 1803 O GLN D 48 103.756 5.018 -32.200 1.00 0.00 O ATOM 1804 CB GLN D 48 102.069 5.642 -29.339 1.00 0.00 C ATOM 1805 CG GLN D 48 101.228 5.131 -28.163 1.00 0.00 C ATOM 1806 CD GLN D 48 100.000 4.369 -28.658 1.00 0.00 C ATOM 1807 OE1 GLN D 48 99.588 4.527 -29.805 1.00 0.00 O ATOM 1808 NE2 GLN D 48 99.388 3.548 -27.851 1.00 0.00 N ATOM 0 H GLN D 48 102.258 3.237 -28.694 1.00 0.00 H new ATOM 0 HA GLN D 48 101.526 4.584 -31.146 1.00 0.00 H new ATOM 0 HB2 GLN D 48 103.031 6.005 -28.978 1.00 0.00 H new ATOM 0 HB3 GLN D 48 101.569 6.486 -29.815 1.00 0.00 H new ATOM 0 HG2 GLN D 48 101.835 4.480 -27.533 1.00 0.00 H new ATOM 0 HG3 GLN D 48 100.914 5.971 -27.544 1.00 0.00 H new ATOM 0 HE21 GLN D 48 99.731 3.418 -26.899 1.00 0.00 H new ATOM 0 HE22 GLN D 48 98.566 3.036 -28.171 1.00 0.00 H new ATOM 1817 N ILE D 49 104.705 4.371 -30.277 1.00 0.00 N ATOM 1818 CA ILE D 49 106.081 4.482 -30.788 1.00 0.00 C ATOM 1819 C ILE D 49 106.164 4.069 -32.258 1.00 0.00 C ATOM 1820 O ILE D 49 106.251 4.919 -33.145 1.00 0.00 O ATOM 1821 CB ILE D 49 107.033 3.611 -29.955 1.00 0.00 C ATOM 1822 CG1 ILE D 49 106.894 3.976 -28.473 1.00 0.00 C ATOM 1823 CG2 ILE D 49 108.483 3.858 -30.396 1.00 0.00 C ATOM 1824 CD1 ILE D 49 107.850 3.121 -27.632 1.00 0.00 C ATOM 0 H ILE D 49 104.640 4.066 -29.306 1.00 0.00 H new ATOM 0 HA ILE D 49 106.379 5.527 -30.706 1.00 0.00 H new ATOM 0 HB ILE D 49 106.779 2.562 -30.104 1.00 0.00 H new ATOM 0 HG12 ILE D 49 107.115 5.033 -28.328 1.00 0.00 H new ATOM 0 HG13 ILE D 49 105.867 3.817 -28.145 1.00 0.00 H new ATOM 0 HG21 ILE D 49 109.155 3.238 -29.802 1.00 0.00 H new ATOM 0 HG22 ILE D 49 108.591 3.603 -31.450 1.00 0.00 H new ATOM 0 HG23 ILE D 49 108.734 4.908 -30.249 1.00 0.00 H new ATOM 0 HD11 ILE D 49 107.745 3.386 -26.580 1.00 0.00 H new ATOM 0 HD12 ILE D 49 107.609 2.067 -27.766 1.00 0.00 H new ATOM 0 HD13 ILE D 49 108.876 3.302 -27.951 1.00 0.00 H new ATOM 1836 N LYS D 50 106.142 2.785 -32.506 1.00 0.00 N ATOM 1837 CA LYS D 50 106.220 2.278 -33.876 1.00 0.00 C ATOM 1838 C LYS D 50 105.310 3.092 -34.793 1.00 0.00 C ATOM 1839 O LYS D 50 105.658 3.375 -35.939 1.00 0.00 O ATOM 1840 CB LYS D 50 105.804 0.802 -33.914 1.00 0.00 C ATOM 1841 CG LYS D 50 106.144 0.186 -35.287 1.00 0.00 C ATOM 1842 CD LYS D 50 107.594 -0.316 -35.301 1.00 0.00 C ATOM 1843 CE LYS D 50 107.871 -1.035 -36.623 1.00 0.00 C ATOM 1844 NZ LYS D 50 109.272 -1.544 -36.629 1.00 0.00 N ATOM 0 H LYS D 50 106.071 2.063 -31.789 1.00 0.00 H new ATOM 0 HA LYS D 50 107.249 2.370 -34.224 1.00 0.00 H new ATOM 0 HB2 LYS D 50 106.316 0.252 -33.124 1.00 0.00 H new ATOM 0 HB3 LYS D 50 104.735 0.713 -33.723 1.00 0.00 H new ATOM 0 HG2 LYS D 50 105.464 -0.639 -35.502 1.00 0.00 H new ATOM 0 HG3 LYS D 50 106.002 0.929 -36.072 1.00 0.00 H new ATOM 0 HD2 LYS D 50 108.281 0.521 -35.179 1.00 0.00 H new ATOM 0 HD3 LYS D 50 107.764 -0.993 -34.464 1.00 0.00 H new ATOM 0 HE2 LYS D 50 107.172 -1.861 -36.753 1.00 0.00 H new ATOM 0 HE3 LYS D 50 107.717 -0.353 -37.459 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 109.460 -2.033 -37.528 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 109.931 -0.747 -36.524 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 109.403 -2.208 -35.840 1.00 0.00 H new ATOM 1858 N ARG D 51 104.168 3.463 -34.282 1.00 0.00 N ATOM 1859 CA ARG D 51 103.212 4.252 -35.050 1.00 0.00 C ATOM 1860 C ARG D 51 102.752 3.482 -36.289 1.00 0.00 C ATOM 1861 O ARG D 51 101.613 3.020 -36.354 1.00 0.00 O ATOM 1862 CB ARG D 51 103.858 5.592 -35.459 1.00 0.00 C ATOM 1863 CG ARG D 51 102.790 6.689 -35.579 1.00 0.00 C ATOM 1864 CD ARG D 51 101.815 6.339 -36.705 1.00 0.00 C ATOM 1865 NE ARG D 51 101.020 7.509 -37.060 1.00 0.00 N ATOM 1866 CZ ARG D 51 101.544 8.507 -37.718 1.00 0.00 C ATOM 1867 NH1 ARG D 51 102.799 8.467 -38.072 1.00 0.00 N ATOM 1868 NH2 ARG D 51 100.813 9.543 -38.022 1.00 0.00 N ATOM 0 H ARG D 51 103.865 3.236 -33.335 1.00 0.00 H new ATOM 0 HA ARG D 51 102.338 4.451 -34.430 1.00 0.00 H new ATOM 0 HB2 ARG D 51 104.605 5.883 -34.721 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.378 5.477 -36.410 1.00 0.00 H new ATOM 0 HG2 ARG D 51 102.251 6.790 -34.637 1.00 0.00 H new ATOM 0 HG3 ARG D 51 103.263 7.650 -35.780 1.00 0.00 H new ATOM 0 HD2 ARG D 51 102.366 5.985 -37.577 1.00 0.00 H new ATOM 0 HD3 ARG D 51 101.160 5.526 -36.390 1.00 0.00 H new ATOM 0 HE ARG D 51 100.037 7.548 -36.789 1.00 0.00 H new ATOM 0 HH11 ARG D 51 103.370 7.656 -37.835 1.00 0.00 H new ATOM 0 HH12 ARG D 51 103.209 9.247 -38.586 1.00 0.00 H new ATOM 0 HH21 ARG D 51 99.832 9.574 -37.746 1.00 0.00 H new ATOM 0 HH22 ARG D 51 101.223 10.323 -38.536 1.00 0.00 H new ATOM 1882 N GLY D 52 103.627 3.353 -37.249 1.00 0.00 N ATOM 1883 CA GLY D 52 103.298 2.638 -38.476 1.00 0.00 C ATOM 1884 C GLY D 52 102.206 3.365 -39.255 1.00 0.00 C ATOM 0 H GLY D 52 104.575 3.729 -37.216 1.00 0.00 H new ATOM 0 HA2 GLY D 52 104.190 2.542 -39.096 1.00 0.00 H new ATOM 0 HA3 GLY D 52 102.967 1.628 -38.235 1.00 0.00 H new TER 1888 GLY D 52 HETATM 1889 CA RIM A 1 87.840 4.580 -7.772 1.00 0.00 C HETATM 1890 CB RIM A 1 88.803 3.832 -6.840 1.00 0.00 C HETATM 1891 NC RIM A 1 90.196 4.243 -7.169 1.00 0.00 N HETATM 1892 CD RIM A 1 88.517 4.130 -5.341 1.00 0.00 C HETATM 1893 CE1 RIM A 1 87.383 3.228 -4.839 1.00 0.00 C HETATM 1894 CE2 RIM A 1 88.153 5.599 -5.116 1.00 0.00 C HETATM 1895 CE3 RIM A 1 89.788 3.848 -4.552 1.00 0.00 C HETATM 1896 CF1 RIM A 1 87.103 3.519 -3.365 1.00 0.00 C HETATM 1897 CF2 RIM A 1 87.941 5.864 -3.621 1.00 0.00 C HETATM 1898 CF3 RIM A 1 89.542 4.018 -3.046 1.00 0.00 C HETATM 1899 CG1 RIM A 1 86.782 5.005 -3.153 1.00 0.00 C HETATM 1900 CG2 RIM A 1 89.198 5.490 -2.816 1.00 0.00 C HETATM 1901 CG3 RIM A 1 88.354 3.167 -2.574 1.00 0.00 C HETATM 0 HNC2 RIM A 1 90.980 3.848 -6.650 1.00 0.00 H new HETATM 0 HNC1 RIM A 1 90.366 4.920 -7.913 1.00 0.00 H new HETATM 0 HG32 RIM A 1 88.179 3.333 -1.511 1.00 0.00 H new HETATM 0 HG31 RIM A 1 88.584 2.109 -2.697 1.00 0.00 H new HETATM 0 HG22 RIM A 1 90.035 6.120 -3.118 1.00 0.00 H new HETATM 0 HG21 RIM A 1 89.029 5.672 -1.755 1.00 0.00 H new HETATM 0 HG12 RIM A 1 85.878 5.271 -3.701 1.00 0.00 H new HETATM 0 HG11 RIM A 1 86.582 5.194 -2.098 1.00 0.00 H new HETATM 0 HE32 RIM A 1 90.132 2.834 -4.757 1.00 0.00 H new HETATM 0 HE31 RIM A 1 90.580 4.524 -4.875 1.00 0.00 H new HETATM 0 HE22 RIM A 1 88.946 6.241 -5.499 1.00 0.00 H new HETATM 0 HE21 RIM A 1 87.247 5.847 -5.670 1.00 0.00 H new HETATM 0 HE12 RIM A 1 86.483 3.397 -5.430 1.00 0.00 H new HETATM 0 HE11 RIM A 1 87.656 2.180 -4.967 1.00 0.00 H new HETATM 0 HF3 RIM A 1 90.427 3.703 -2.494 1.00 0.00 H new HETATM 0 HF2 RIM A 1 87.735 6.923 -3.466 1.00 0.00 H new HETATM 0 HF1 RIM A 1 86.246 2.931 -3.035 1.00 0.00 H new HETATM 0 HB RIM A 1 88.664 2.762 -6.992 1.00 0.00 H new HETATM 0 HA3 RIM A 1 87.954 5.654 -7.627 1.00 0.00 H new HETATM 0 HA2 RIM A 1 88.067 4.328 -8.808 1.00 0.00 H new HETATM 0 HA1 RIM A 1 86.814 4.290 -7.544 1.00 0.00 H new