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: A 47 ASN : amide:sc= -0.786 K(o=-8.3,f=-12!) USER MOD Set 1.2: B 47 ASN : amide:sc= -3.51! C(o=-8.3!,f=-13!) USER MOD Set 1.3: B 48 GLN :FLIP amide:sc= -4! C(o=-12!,f=-8.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-15!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.17) USER MOD Single : A 48 GLN : amide:sc= -0.439 K(o=-0.44,f=-3.2) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= -0.0556 (180deg=-0.553) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HE2:sc= -3.31! C(o=-3.3!,f=-7.8!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.6) USER MOD Single : B 50 LYS NZ :NH3+ 172:sc= -1.13 (180deg=-1.36) USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 SER OG : rot -154:sc= -1.43 USER MOD Single : C 37 HIS : no HD1:sc= -8.48! C(o=-8.5!,f=-12!) USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.165 K(o=-0.17,f=-1.4) USER MOD Single : C 47 ASN : amide:sc= -0.745 K(o=-0.74,f=-1.4) USER MOD Single : C 48 GLN : amide:sc= -4.14! C(o=-4.1!,f=-8.4!) USER MOD Single : C 50 LYS NZ :NH3+ -114:sc= -1.47 (180deg=-5.55!) USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HE2:sc= -6.69! C(o=-6.7!,f=-15!) USER MOD Single : D 42 THR OG1 : rot -74:sc= 1.08 USER MOD Single : D 45 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : D 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 48 GLN : amide:sc= -6.53! C(o=-6.5!,f=-15!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 23 76.208 2.807 6.216 1.00 0.00 N ATOM 2 CA SER A 23 77.533 2.144 6.370 1.00 0.00 C ATOM 3 C SER A 23 78.568 2.882 5.525 1.00 0.00 C ATOM 4 O SER A 23 79.768 2.769 5.768 1.00 0.00 O ATOM 5 CB SER A 23 77.428 0.687 5.914 1.00 0.00 C ATOM 6 OG SER A 23 78.732 0.140 5.776 1.00 0.00 O ATOM 0 HA SER A 23 77.840 2.170 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 23 76.854 0.109 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 23 76.895 0.629 4.965 1.00 0.00 H new ATOM 0 HG SER A 23 78.666 -0.794 5.485 1.00 0.00 H new ATOM 11 N ASP A 24 78.097 3.610 4.542 1.00 0.00 N ATOM 12 CA ASP A 24 78.974 4.360 3.643 1.00 0.00 C ATOM 13 C ASP A 24 79.561 3.420 2.593 1.00 0.00 C ATOM 14 O ASP A 24 80.777 3.241 2.518 1.00 0.00 O ATOM 15 CB ASP A 24 80.105 5.053 4.425 1.00 0.00 C ATOM 16 CG ASP A 24 79.592 5.537 5.777 1.00 0.00 C ATOM 17 OD1 ASP A 24 78.753 6.422 5.788 1.00 0.00 O ATOM 18 OD2 ASP A 24 80.044 5.012 6.782 1.00 0.00 O ATOM 0 H ASP A 24 77.103 3.706 4.334 1.00 0.00 H new ATOM 0 HA ASP A 24 78.383 5.131 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 24 80.934 4.360 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 24 80.490 5.896 3.851 1.00 0.00 H new ATOM 23 N PRO A 25 78.721 2.812 1.794 1.00 0.00 N ATOM 24 CA PRO A 25 79.171 1.859 0.740 1.00 0.00 C ATOM 25 C PRO A 25 79.915 2.567 -0.393 1.00 0.00 C ATOM 26 O PRO A 25 80.203 1.971 -1.429 1.00 0.00 O ATOM 27 CB PRO A 25 77.866 1.208 0.248 1.00 0.00 C ATOM 28 CG PRO A 25 76.787 2.196 0.567 1.00 0.00 C ATOM 29 CD PRO A 25 77.253 2.964 1.810 1.00 0.00 C ATOM 0 HA PRO A 25 79.885 1.128 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.908 1.003 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.688 0.256 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 25 76.623 2.875 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.841 1.689 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 25 76.960 4.013 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.819 2.551 2.720 1.00 0.00 H new ATOM 37 N LEU A 26 80.213 3.817 -0.195 1.00 0.00 N ATOM 38 CA LEU A 26 80.922 4.591 -1.213 1.00 0.00 C ATOM 39 C LEU A 26 82.346 4.074 -1.411 1.00 0.00 C ATOM 40 O LEU A 26 82.861 4.076 -2.529 1.00 0.00 O ATOM 41 CB LEU A 26 80.982 6.067 -0.800 1.00 0.00 C ATOM 42 CG LEU A 26 79.572 6.599 -0.492 1.00 0.00 C ATOM 43 CD1 LEU A 26 79.657 7.949 0.262 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.774 6.758 -1.800 1.00 0.00 C ATOM 0 H LEU A 26 79.984 4.335 0.653 1.00 0.00 H new ATOM 0 HA LEU A 26 80.376 4.485 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 26 81.619 6.179 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 26 81.433 6.656 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 26 79.056 5.883 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 26 78.651 8.312 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 80.196 7.809 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 26 80.184 8.677 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 26 77.777 7.135 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 26 79.288 7.461 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 26 78.692 5.791 -2.296 1.00 0.00 H new ATOM 56 N VAL A 27 82.973 3.662 -0.344 1.00 0.00 N ATOM 57 CA VAL A 27 84.345 3.171 -0.423 1.00 0.00 C ATOM 58 C VAL A 27 84.418 1.823 -1.145 1.00 0.00 C ATOM 59 O VAL A 27 85.273 1.619 -2.008 1.00 0.00 O ATOM 60 CB VAL A 27 84.935 3.020 0.983 1.00 0.00 C ATOM 61 CG1 VAL A 27 86.434 2.741 0.865 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.729 4.308 1.792 1.00 0.00 C ATOM 0 H VAL A 27 82.569 3.651 0.592 1.00 0.00 H new ATOM 0 HA VAL A 27 84.921 3.901 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 27 84.433 2.197 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 27 86.863 2.632 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 27 86.590 1.822 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.919 3.570 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.154 4.184 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.224 5.138 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 27 83.663 4.518 1.876 1.00 0.00 H new ATOM 72 N VAL A 28 83.531 0.928 -0.804 1.00 0.00 N ATOM 73 CA VAL A 28 83.514 -0.386 -1.447 1.00 0.00 C ATOM 74 C VAL A 28 83.011 -0.273 -2.884 1.00 0.00 C ATOM 75 O VAL A 28 83.414 -1.042 -3.753 1.00 0.00 O ATOM 76 CB VAL A 28 82.637 -1.370 -0.665 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.176 -0.935 -0.739 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.779 -2.769 -1.268 1.00 0.00 C ATOM 0 H VAL A 28 82.812 1.068 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 28 84.536 -0.765 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 28 82.957 -1.384 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 28 80.558 -1.639 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.071 0.061 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 28 80.854 -0.916 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 28 82.156 -3.470 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 28 82.462 -2.750 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 28 83.820 -3.086 -1.211 1.00 0.00 H new ATOM 88 N ALA A 29 82.137 0.672 -3.112 1.00 0.00 N ATOM 89 CA ALA A 29 81.557 0.892 -4.435 1.00 0.00 C ATOM 90 C ALA A 29 82.611 1.243 -5.478 1.00 0.00 C ATOM 91 O ALA A 29 82.412 0.973 -6.659 1.00 0.00 O ATOM 92 CB ALA A 29 80.521 2.014 -4.370 1.00 0.00 C ATOM 0 H ALA A 29 81.800 1.316 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 29 81.085 -0.043 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 29 80.093 2.172 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 29 79.730 1.739 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 29 81.000 2.932 -4.031 1.00 0.00 H new ATOM 98 N ALA A 30 83.709 1.830 -5.082 1.00 0.00 N ATOM 99 CA ALA A 30 84.719 2.162 -6.065 1.00 0.00 C ATOM 100 C ALA A 30 85.342 0.878 -6.609 1.00 0.00 C ATOM 101 O ALA A 30 85.426 0.675 -7.820 1.00 0.00 O ATOM 102 CB ALA A 30 85.777 3.038 -5.402 1.00 0.00 C ATOM 0 H ALA A 30 83.928 2.084 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 30 84.275 2.707 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 30 86.545 3.296 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 30 85.312 3.950 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 30 86.232 2.495 -4.573 1.00 0.00 H new ATOM 108 N SER A 31 85.761 0.031 -5.708 1.00 0.00 N ATOM 109 CA SER A 31 86.371 -1.240 -6.086 1.00 0.00 C ATOM 110 C SER A 31 85.518 -1.971 -7.118 1.00 0.00 C ATOM 111 O SER A 31 86.042 -2.640 -8.005 1.00 0.00 O ATOM 112 CB SER A 31 86.498 -2.134 -4.854 1.00 0.00 C ATOM 113 OG SER A 31 87.077 -3.377 -5.232 1.00 0.00 O ATOM 0 H SER A 31 85.696 0.187 -4.702 1.00 0.00 H new ATOM 0 HA SER A 31 87.351 -1.028 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 31 87.115 -1.647 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 31 85.518 -2.298 -4.407 1.00 0.00 H new ATOM 0 HG SER A 31 87.161 -3.952 -4.443 1.00 0.00 H new ATOM 119 N ILE A 32 84.227 -1.872 -6.973 1.00 0.00 N ATOM 120 CA ILE A 32 83.316 -2.567 -7.873 1.00 0.00 C ATOM 121 C ILE A 32 83.713 -2.342 -9.333 1.00 0.00 C ATOM 122 O ILE A 32 83.855 -3.304 -10.087 1.00 0.00 O ATOM 123 CB ILE A 32 81.881 -2.088 -7.598 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.506 -2.497 -6.166 1.00 0.00 C ATOM 125 CG2 ILE A 32 80.890 -2.720 -8.580 1.00 0.00 C ATOM 126 CD1 ILE A 32 80.046 -2.138 -5.866 1.00 0.00 C ATOM 0 H ILE A 32 83.771 -1.321 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 32 83.372 -3.640 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 32 81.835 -1.006 -7.721 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.656 -3.569 -6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 32 82.163 -1.995 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.884 -2.363 -8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.160 -2.442 -9.599 1.00 0.00 H new ATOM 0 HG23 ILE A 32 80.920 -3.805 -8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.800 -2.436 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 32 79.906 -1.062 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.392 -2.660 -6.564 1.00 0.00 H new ATOM 138 N ILE A 33 83.907 -1.115 -9.726 1.00 0.00 N ATOM 139 CA ILE A 33 84.306 -0.838 -11.106 1.00 0.00 C ATOM 140 C ILE A 33 85.676 -1.460 -11.383 1.00 0.00 C ATOM 141 O ILE A 33 85.911 -2.037 -12.445 1.00 0.00 O ATOM 142 CB ILE A 33 84.365 0.678 -11.347 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.947 1.260 -11.288 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.975 0.958 -12.727 1.00 0.00 C ATOM 145 CD1 ILE A 33 83.015 2.793 -11.279 1.00 0.00 C ATOM 0 H ILE A 33 83.801 -0.292 -9.133 1.00 0.00 H new ATOM 0 HA ILE A 33 83.569 -1.274 -11.781 1.00 0.00 H new ATOM 0 HB ILE A 33 84.983 1.142 -10.578 1.00 0.00 H new ATOM 0 HG12 ILE A 33 82.367 0.917 -12.145 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.435 0.904 -10.394 1.00 0.00 H new ATOM 0 HG21 ILE A 33 85.016 2.034 -12.895 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.983 0.546 -12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 33 84.360 0.493 -13.498 1.00 0.00 H new ATOM 0 HD11 ILE A 33 82.005 3.202 -11.237 1.00 0.00 H new ATOM 0 HD12 ILE A 33 83.578 3.127 -10.408 1.00 0.00 H new ATOM 0 HD13 ILE A 33 83.510 3.141 -12.186 1.00 0.00 H new ATOM 157 N GLY A 34 86.565 -1.301 -10.444 1.00 0.00 N ATOM 158 CA GLY A 34 87.929 -1.806 -10.586 1.00 0.00 C ATOM 159 C GLY A 34 87.964 -3.260 -11.066 1.00 0.00 C ATOM 160 O GLY A 34 88.667 -3.580 -12.020 1.00 0.00 O ATOM 0 H GLY A 34 86.382 -0.824 -9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.474 -1.180 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.444 -1.729 -9.628 1.00 0.00 H new ATOM 164 N ILE A 35 87.230 -4.125 -10.426 1.00 0.00 N ATOM 165 CA ILE A 35 87.220 -5.533 -10.834 1.00 0.00 C ATOM 166 C ILE A 35 86.488 -5.705 -12.163 1.00 0.00 C ATOM 167 O ILE A 35 86.786 -6.615 -12.936 1.00 0.00 O ATOM 168 CB ILE A 35 86.565 -6.411 -9.754 1.00 0.00 C ATOM 169 CG1 ILE A 35 86.945 -5.898 -8.361 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.068 -7.848 -9.900 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.294 -6.782 -7.295 1.00 0.00 C ATOM 0 H ILE A 35 86.633 -3.902 -9.629 1.00 0.00 H new ATOM 0 HA ILE A 35 88.255 -5.852 -10.961 1.00 0.00 H new ATOM 0 HB ILE A 35 85.482 -6.374 -9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.029 -5.905 -8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 35 86.618 -4.865 -8.241 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.607 -8.474 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.805 -8.227 -10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.151 -7.868 -9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.565 -6.417 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.210 -6.752 -7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 35 86.643 -7.808 -7.411 1.00 0.00 H new ATOM 183 N LEU A 36 85.542 -4.847 -12.407 1.00 0.00 N ATOM 184 CA LEU A 36 84.756 -4.902 -13.633 1.00 0.00 C ATOM 185 C LEU A 36 85.608 -4.553 -14.858 1.00 0.00 C ATOM 186 O LEU A 36 85.454 -5.152 -15.923 1.00 0.00 O ATOM 187 CB LEU A 36 83.590 -3.906 -13.517 1.00 0.00 C ATOM 188 CG LEU A 36 82.622 -4.044 -14.712 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.627 -5.184 -14.462 1.00 0.00 C ATOM 190 CD2 LEU A 36 81.845 -2.733 -14.891 1.00 0.00 C ATOM 0 H LEU A 36 85.284 -4.089 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 36 84.381 -5.917 -13.763 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.051 -4.079 -12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 36 83.979 -2.889 -13.475 1.00 0.00 H new ATOM 0 HG LEU A 36 83.200 -4.263 -15.610 1.00 0.00 H new ATOM 0 HD11 LEU A 36 80.951 -5.270 -15.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.171 -6.120 -14.335 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.051 -4.973 -13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.161 -2.828 -15.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.277 -2.520 -13.985 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.544 -1.919 -15.081 1.00 0.00 H new ATOM 202 N HIS A 37 86.474 -3.590 -14.706 1.00 0.00 N ATOM 203 CA HIS A 37 87.331 -3.149 -15.807 1.00 0.00 C ATOM 204 C HIS A 37 88.443 -4.157 -16.143 1.00 0.00 C ATOM 205 O HIS A 37 88.912 -4.207 -17.280 1.00 0.00 O ATOM 206 CB HIS A 37 87.897 -1.742 -15.503 1.00 0.00 C ATOM 207 CG HIS A 37 89.236 -1.794 -14.812 1.00 0.00 C ATOM 208 ND1 HIS A 37 89.658 -2.878 -14.065 1.00 0.00 N ATOM 209 CD2 HIS A 37 90.259 -0.881 -14.756 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.889 -2.597 -13.600 1.00 0.00 C ATOM 211 NE2 HIS A 37 91.302 -1.391 -13.992 1.00 0.00 N ATOM 0 H HIS A 37 86.616 -3.084 -13.832 1.00 0.00 H new ATOM 0 HA HIS A 37 86.713 -3.091 -16.703 1.00 0.00 H new ATOM 0 HB2 HIS A 37 87.994 -1.184 -16.434 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.190 -1.197 -14.877 1.00 0.00 H new ATOM 0 HD2 HIS A 37 90.254 0.088 -15.234 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.472 -3.266 -12.984 1.00 0.00 H new ATOM 0 HE2 HIS A 37 92.191 -0.940 -13.777 1.00 0.00 H new ATOM 220 N PHE A 38 88.878 -4.914 -15.171 1.00 0.00 N ATOM 221 CA PHE A 38 89.963 -5.876 -15.389 1.00 0.00 C ATOM 222 C PHE A 38 89.655 -6.849 -16.530 1.00 0.00 C ATOM 223 O PHE A 38 90.490 -7.055 -17.411 1.00 0.00 O ATOM 224 CB PHE A 38 90.237 -6.662 -14.102 1.00 0.00 C ATOM 225 CG PHE A 38 91.358 -7.649 -14.341 1.00 0.00 C ATOM 226 CD1 PHE A 38 91.085 -8.876 -14.960 1.00 0.00 C ATOM 227 CD2 PHE A 38 92.670 -7.342 -13.944 1.00 0.00 C ATOM 228 CE1 PHE A 38 92.118 -9.794 -15.184 1.00 0.00 C ATOM 229 CE2 PHE A 38 93.701 -8.261 -14.169 1.00 0.00 C ATOM 230 CZ PHE A 38 93.426 -9.487 -14.789 1.00 0.00 C ATOM 0 H PHE A 38 88.510 -4.895 -14.220 1.00 0.00 H new ATOM 0 HA PHE A 38 90.847 -5.305 -15.671 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.506 -5.979 -13.296 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.336 -7.188 -13.786 1.00 0.00 H new ATOM 0 HD1 PHE A 38 90.077 -9.114 -15.265 1.00 0.00 H new ATOM 0 HD2 PHE A 38 92.883 -6.397 -13.466 1.00 0.00 H new ATOM 0 HE1 PHE A 38 91.906 -10.739 -15.662 1.00 0.00 H new ATOM 0 HE2 PHE A 38 94.710 -8.025 -13.864 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.223 -10.195 -14.962 1.00 0.00 H new ATOM 240 N ILE A 39 88.490 -7.439 -16.515 1.00 0.00 N ATOM 241 CA ILE A 39 88.127 -8.388 -17.567 1.00 0.00 C ATOM 242 C ILE A 39 88.251 -7.731 -18.941 1.00 0.00 C ATOM 243 O ILE A 39 88.577 -8.386 -19.928 1.00 0.00 O ATOM 244 CB ILE A 39 86.690 -8.894 -17.362 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.622 -9.773 -16.103 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.258 -9.729 -18.573 1.00 0.00 C ATOM 247 CD1 ILE A 39 86.788 -8.922 -14.837 1.00 0.00 C ATOM 0 H ILE A 39 87.775 -7.291 -15.802 1.00 0.00 H new ATOM 0 HA ILE A 39 88.811 -9.235 -17.514 1.00 0.00 H new ATOM 0 HB ILE A 39 86.027 -8.036 -17.249 1.00 0.00 H new ATOM 0 HG12 ILE A 39 85.667 -10.298 -16.071 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.403 -10.533 -16.141 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.239 -10.086 -18.424 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.299 -9.114 -19.472 1.00 0.00 H new ATOM 0 HG23 ILE A 39 86.928 -10.581 -18.685 1.00 0.00 H new ATOM 0 HD11 ILE A 39 86.737 -9.564 -13.958 1.00 0.00 H new ATOM 0 HD12 ILE A 39 87.754 -8.417 -14.862 1.00 0.00 H new ATOM 0 HD13 ILE A 39 85.992 -8.179 -14.791 1.00 0.00 H new ATOM 259 N ALA A 40 88.006 -6.454 -18.988 1.00 0.00 N ATOM 260 CA ALA A 40 88.109 -5.713 -20.238 1.00 0.00 C ATOM 261 C ALA A 40 89.568 -5.525 -20.644 1.00 0.00 C ATOM 262 O ALA A 40 89.885 -5.390 -21.821 1.00 0.00 O ATOM 263 CB ALA A 40 87.432 -4.347 -20.102 1.00 0.00 C ATOM 0 H ALA A 40 87.732 -5.892 -18.182 1.00 0.00 H new ATOM 0 HA ALA A 40 87.605 -6.290 -21.013 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.516 -3.804 -21.043 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.379 -4.486 -19.856 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.918 -3.777 -19.310 1.00 0.00 H new ATOM 269 N TRP A 41 90.429 -5.465 -19.674 1.00 0.00 N ATOM 270 CA TRP A 41 91.845 -5.237 -19.927 1.00 0.00 C ATOM 271 C TRP A 41 92.490 -6.358 -20.742 1.00 0.00 C ATOM 272 O TRP A 41 93.188 -6.101 -21.722 1.00 0.00 O ATOM 273 CB TRP A 41 92.553 -5.123 -18.579 1.00 0.00 C ATOM 274 CG TRP A 41 93.938 -4.605 -18.770 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.933 -5.256 -19.417 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.500 -3.346 -18.307 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.066 -4.462 -19.396 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.847 -3.277 -18.721 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.972 -2.263 -17.577 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.644 -2.175 -18.425 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.777 -1.152 -17.273 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.111 -1.109 -17.699 1.00 0.00 C ATOM 0 H TRP A 41 90.187 -5.570 -18.689 1.00 0.00 H new ATOM 0 HA TRP A 41 91.942 -4.323 -20.514 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.995 -4.457 -17.921 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.585 -6.098 -18.093 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.855 -6.232 -19.873 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.954 -4.720 -19.826 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.943 -2.287 -17.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.672 -2.145 -18.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.366 -0.328 -16.709 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.726 -0.252 -17.466 1.00 0.00 H new ATOM 293 N THR A 42 92.297 -7.568 -20.308 1.00 0.00 N ATOM 294 CA THR A 42 92.906 -8.726 -20.966 1.00 0.00 C ATOM 295 C THR A 42 92.695 -8.731 -22.480 1.00 0.00 C ATOM 296 O THR A 42 93.625 -9.035 -23.227 1.00 0.00 O ATOM 297 CB THR A 42 92.335 -10.020 -20.375 1.00 0.00 C ATOM 298 OG1 THR A 42 92.501 -11.078 -21.312 1.00 0.00 O ATOM 299 CG2 THR A 42 90.850 -9.832 -20.084 1.00 0.00 C ATOM 0 H THR A 42 91.722 -7.798 -19.497 1.00 0.00 H new ATOM 0 HA THR A 42 93.979 -8.660 -20.786 1.00 0.00 H new ATOM 0 HB THR A 42 92.860 -10.263 -19.451 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.138 -11.907 -20.937 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.442 -10.751 -19.664 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.719 -9.018 -19.371 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.325 -9.592 -21.009 1.00 0.00 H new ATOM 307 N ILE A 43 91.509 -8.433 -22.934 1.00 0.00 N ATOM 308 CA ILE A 43 91.259 -8.457 -24.375 1.00 0.00 C ATOM 309 C ILE A 43 92.115 -7.420 -25.109 1.00 0.00 C ATOM 310 O ILE A 43 92.672 -7.714 -26.162 1.00 0.00 O ATOM 311 CB ILE A 43 89.772 -8.230 -24.681 1.00 0.00 C ATOM 312 CG1 ILE A 43 89.244 -7.046 -23.876 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.977 -9.484 -24.311 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.861 -6.654 -24.396 1.00 0.00 C ATOM 0 H ILE A 43 90.709 -8.175 -22.356 1.00 0.00 H new ATOM 0 HA ILE A 43 91.540 -9.446 -24.736 1.00 0.00 H new ATOM 0 HB ILE A 43 89.659 -8.020 -25.745 1.00 0.00 H new ATOM 0 HG12 ILE A 43 89.187 -7.307 -22.819 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.928 -6.202 -23.959 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.921 -9.323 -24.528 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.342 -10.331 -24.892 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.101 -9.693 -23.248 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.483 -5.808 -23.822 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.933 -6.376 -25.447 1.00 0.00 H new ATOM 0 HD13 ILE A 43 87.180 -7.498 -24.290 1.00 0.00 H new ATOM 326 N GLY A 44 92.212 -6.233 -24.567 1.00 0.00 N ATOM 327 CA GLY A 44 93.000 -5.170 -25.199 1.00 0.00 C ATOM 328 C GLY A 44 94.483 -5.522 -25.258 1.00 0.00 C ATOM 329 O GLY A 44 95.190 -5.119 -26.180 1.00 0.00 O ATOM 0 H GLY A 44 91.762 -5.965 -23.692 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.628 -4.993 -26.208 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.869 -4.241 -24.644 1.00 0.00 H new ATOM 333 N HIS A 45 94.937 -6.258 -24.287 1.00 0.00 N ATOM 334 CA HIS A 45 96.335 -6.658 -24.233 1.00 0.00 C ATOM 335 C HIS A 45 96.784 -7.233 -25.578 1.00 0.00 C ATOM 336 O HIS A 45 97.975 -7.249 -25.892 1.00 0.00 O ATOM 337 CB HIS A 45 96.549 -7.687 -23.130 1.00 0.00 C ATOM 338 CG HIS A 45 98.026 -7.911 -22.959 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.641 -9.097 -23.327 1.00 0.00 N ATOM 340 CD2 HIS A 45 99.027 -7.099 -22.481 1.00 0.00 C ATOM 341 CE1 HIS A 45 99.956 -8.967 -23.070 1.00 0.00 C ATOM 342 NE2 HIS A 45 100.245 -7.769 -22.554 1.00 0.00 N ATOM 0 H HIS A 45 94.367 -6.601 -23.514 1.00 0.00 H new ATOM 0 HA HIS A 45 96.935 -5.774 -24.014 1.00 0.00 H new ATOM 0 HB2 HIS A 45 96.109 -7.337 -22.196 1.00 0.00 H new ATOM 0 HB3 HIS A 45 96.052 -8.623 -23.385 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.890 -6.095 -22.106 1.00 0.00 H new ATOM 0 HE1 HIS A 45 100.689 -9.738 -23.258 1.00 0.00 H new ATOM 0 HE2 HIS A 45 101.162 -7.420 -22.274 1.00 0.00 H new ATOM 351 N LEU A 46 95.845 -7.751 -26.322 1.00 0.00 N ATOM 352 CA LEU A 46 96.144 -8.398 -27.599 1.00 0.00 C ATOM 353 C LEU A 46 97.155 -7.599 -28.426 1.00 0.00 C ATOM 354 O LEU A 46 97.909 -8.185 -29.203 1.00 0.00 O ATOM 355 CB LEU A 46 94.828 -8.586 -28.402 1.00 0.00 C ATOM 356 CG LEU A 46 94.457 -7.295 -29.199 1.00 0.00 C ATOM 357 CD1 LEU A 46 95.018 -7.366 -30.638 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.928 -7.123 -29.265 1.00 0.00 C ATOM 0 H LEU A 46 94.855 -7.744 -26.075 1.00 0.00 H new ATOM 0 HA LEU A 46 96.594 -9.368 -27.387 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.938 -9.423 -29.092 1.00 0.00 H new ATOM 0 HB3 LEU A 46 94.017 -8.840 -27.720 1.00 0.00 H new ATOM 0 HG LEU A 46 94.896 -6.443 -28.680 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.750 -6.458 -31.178 1.00 0.00 H new ATOM 0 HD12 LEU A 46 96.103 -7.459 -30.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.597 -8.231 -31.150 1.00 0.00 H new ATOM 0 HD21 LEU A 46 92.687 -6.219 -29.824 1.00 0.00 H new ATOM 0 HD22 LEU A 46 92.486 -7.986 -29.763 1.00 0.00 H new ATOM 0 HD23 LEU A 46 92.527 -7.043 -28.255 1.00 0.00 H new ATOM 370 N ASN A 47 97.189 -6.307 -28.268 1.00 0.00 N ATOM 371 CA ASN A 47 98.150 -5.517 -29.032 1.00 0.00 C ATOM 372 C ASN A 47 99.558 -6.070 -28.804 1.00 0.00 C ATOM 373 O ASN A 47 100.289 -6.351 -29.753 1.00 0.00 O ATOM 374 CB ASN A 47 98.093 -4.050 -28.604 1.00 0.00 C ATOM 375 CG ASN A 47 96.696 -3.488 -28.849 1.00 0.00 C ATOM 376 OD1 ASN A 47 96.196 -3.529 -29.974 1.00 0.00 O ATOM 377 ND2 ASN A 47 96.033 -2.958 -27.859 1.00 0.00 N ATOM 0 H ASN A 47 96.586 -5.777 -27.639 1.00 0.00 H new ATOM 0 HA ASN A 47 97.900 -5.580 -30.091 1.00 0.00 H new ATOM 0 HB2 ASN A 47 98.350 -3.961 -27.548 1.00 0.00 H new ATOM 0 HB3 ASN A 47 98.830 -3.471 -29.161 1.00 0.00 H new ATOM 0 HD21 ASN A 47 95.100 -2.577 -28.016 1.00 0.00 H new ATOM 0 HD22 ASN A 47 96.448 -2.924 -26.928 1.00 0.00 H new ATOM 384 N GLN A 48 99.918 -6.220 -27.555 1.00 0.00 N ATOM 385 CA GLN A 48 101.236 -6.741 -27.200 1.00 0.00 C ATOM 386 C GLN A 48 101.270 -8.263 -27.326 1.00 0.00 C ATOM 387 O GLN A 48 100.641 -8.958 -26.534 1.00 0.00 O ATOM 388 CB GLN A 48 101.594 -6.344 -25.766 1.00 0.00 C ATOM 389 CG GLN A 48 103.077 -6.627 -25.523 1.00 0.00 C ATOM 390 CD GLN A 48 103.422 -6.428 -24.050 1.00 0.00 C ATOM 391 OE1 GLN A 48 102.769 -5.649 -23.356 1.00 0.00 O ATOM 392 NE2 GLN A 48 104.420 -7.091 -23.529 1.00 0.00 N ATOM 0 H GLN A 48 99.324 -5.992 -26.758 1.00 0.00 H new ATOM 0 HA GLN A 48 101.964 -6.312 -27.889 1.00 0.00 H new ATOM 0 HB2 GLN A 48 101.382 -5.287 -25.604 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.983 -6.904 -25.057 1.00 0.00 H new ATOM 0 HG2 GLN A 48 103.313 -7.648 -25.824 1.00 0.00 H new ATOM 0 HG3 GLN A 48 103.686 -5.965 -26.138 1.00 0.00 H new ATOM 0 HE21 GLN A 48 104.960 -7.736 -24.106 1.00 0.00 H new ATOM 0 HE22 GLN A 48 104.659 -6.963 -22.546 1.00 0.00 H new ATOM 401 N ILE A 49 102.008 -8.739 -28.305 1.00 0.00 N ATOM 402 CA ILE A 49 102.177 -10.176 -28.585 1.00 0.00 C ATOM 403 C ILE A 49 102.501 -10.351 -30.075 1.00 0.00 C ATOM 404 O ILE A 49 103.607 -10.755 -30.432 1.00 0.00 O ATOM 405 CB ILE A 49 100.912 -11.009 -28.175 1.00 0.00 C ATOM 406 CG1 ILE A 49 101.097 -11.583 -26.740 1.00 0.00 C ATOM 407 CG2 ILE A 49 100.650 -12.177 -29.157 1.00 0.00 C ATOM 408 CD1 ILE A 49 101.834 -12.925 -26.780 1.00 0.00 C ATOM 0 H ILE A 49 102.523 -8.139 -28.949 1.00 0.00 H new ATOM 0 HA ILE A 49 103.000 -10.559 -27.982 1.00 0.00 H new ATOM 0 HB ILE A 49 100.054 -10.337 -28.205 1.00 0.00 H new ATOM 0 HG12 ILE A 49 101.657 -10.874 -26.130 1.00 0.00 H new ATOM 0 HG13 ILE A 49 100.123 -11.712 -26.267 1.00 0.00 H new ATOM 0 HG21 ILE A 49 99.766 -12.729 -28.838 1.00 0.00 H new ATOM 0 HG22 ILE A 49 100.488 -11.780 -30.159 1.00 0.00 H new ATOM 0 HG23 ILE A 49 101.511 -12.845 -29.166 1.00 0.00 H new ATOM 0 HD11 ILE A 49 101.951 -13.306 -25.766 1.00 0.00 H new ATOM 0 HD12 ILE A 49 101.260 -13.638 -27.371 1.00 0.00 H new ATOM 0 HD13 ILE A 49 102.816 -12.787 -27.232 1.00 0.00 H new ATOM 420 N LYS A 50 101.541 -10.067 -30.918 1.00 0.00 N ATOM 421 CA LYS A 50 101.729 -10.214 -32.362 1.00 0.00 C ATOM 422 C LYS A 50 102.561 -9.059 -32.931 1.00 0.00 C ATOM 423 O LYS A 50 103.682 -9.259 -33.397 1.00 0.00 O ATOM 424 CB LYS A 50 100.355 -10.268 -33.058 1.00 0.00 C ATOM 425 CG LYS A 50 100.442 -11.078 -34.359 1.00 0.00 C ATOM 426 CD LYS A 50 101.399 -10.395 -35.338 1.00 0.00 C ATOM 427 CE LYS A 50 101.190 -10.972 -36.740 1.00 0.00 C ATOM 428 NZ LYS A 50 99.879 -10.509 -37.273 1.00 0.00 N ATOM 0 H LYS A 50 100.618 -9.732 -30.642 1.00 0.00 H new ATOM 0 HA LYS A 50 102.270 -11.142 -32.548 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.620 -10.719 -32.391 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.011 -9.257 -33.275 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.788 -12.089 -34.145 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.453 -11.168 -34.808 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.222 -9.319 -35.345 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.431 -10.547 -35.021 1.00 0.00 H new ATOM 0 HE2 LYS A 50 101.997 -10.654 -37.400 1.00 0.00 H new ATOM 0 HE3 LYS A 50 101.217 -12.061 -36.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.903 -10.520 -38.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 99.125 -11.142 -36.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.692 -9.541 -36.942 1.00 0.00 H new ATOM 442 N ARG A 51 102.007 -7.877 -32.900 1.00 0.00 N ATOM 443 CA ARG A 51 102.701 -6.704 -33.427 1.00 0.00 C ATOM 444 C ARG A 51 103.996 -6.446 -32.660 1.00 0.00 C ATOM 445 O ARG A 51 104.067 -6.661 -31.450 1.00 0.00 O ATOM 446 CB ARG A 51 101.795 -5.474 -33.332 1.00 0.00 C ATOM 447 CG ARG A 51 102.493 -4.274 -33.976 1.00 0.00 C ATOM 448 CD ARG A 51 101.539 -3.079 -33.992 1.00 0.00 C ATOM 449 NE ARG A 51 102.195 -1.917 -34.577 1.00 0.00 N ATOM 450 CZ ARG A 51 101.545 -0.803 -34.769 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.287 -0.718 -34.434 1.00 0.00 N ATOM 452 NH2 ARG A 51 102.151 0.225 -35.296 1.00 0.00 N ATOM 0 H ARG A 51 101.080 -7.688 -32.519 1.00 0.00 H new ATOM 0 HA ARG A 51 102.948 -6.896 -34.471 1.00 0.00 H new ATOM 0 HB2 ARG A 51 100.847 -5.668 -33.833 1.00 0.00 H new ATOM 0 HB3 ARG A 51 101.566 -5.258 -32.289 1.00 0.00 H new ATOM 0 HG2 ARG A 51 103.397 -4.024 -33.421 1.00 0.00 H new ATOM 0 HG3 ARG A 51 102.801 -4.521 -34.992 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.645 -3.327 -34.564 1.00 0.00 H new ATOM 0 HD3 ARG A 51 101.215 -2.850 -32.977 1.00 0.00 H new ATOM 0 HE ARG A 51 103.179 -1.976 -34.841 1.00 0.00 H new ATOM 0 HH11 ARG A 51 99.813 -1.522 -34.023 1.00 0.00 H new ATOM 0 HH12 ARG A 51 99.777 0.153 -34.584 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.134 0.158 -35.558 1.00 0.00 H new ATOM 0 HH22 ARG A 51 101.641 1.096 -35.446 1.00 0.00 H new ATOM 466 N GLY A 52 104.999 -5.988 -33.362 1.00 0.00 N ATOM 467 CA GLY A 52 106.287 -5.699 -32.741 1.00 0.00 C ATOM 468 C GLY A 52 106.160 -4.566 -31.731 1.00 0.00 C ATOM 0 H GLY A 52 104.960 -5.804 -34.364 1.00 0.00 H new ATOM 0 HA2 GLY A 52 106.665 -6.593 -32.245 1.00 0.00 H new ATOM 0 HA3 GLY A 52 107.013 -5.429 -33.508 1.00 0.00 H new TER 472 GLY A 52 ATOM 473 N SER B 23 86.598 16.676 5.123 1.00 0.00 N ATOM 474 CA SER B 23 86.015 18.015 4.827 1.00 0.00 C ATOM 475 C SER B 23 84.871 17.859 3.831 1.00 0.00 C ATOM 476 O SER B 23 83.708 18.075 4.172 1.00 0.00 O ATOM 477 CB SER B 23 87.100 18.921 4.241 1.00 0.00 C ATOM 478 OG SER B 23 87.971 19.343 5.281 1.00 0.00 O ATOM 0 HA SER B 23 85.632 18.463 5.744 1.00 0.00 H new ATOM 0 HB2 SER B 23 87.662 18.386 3.475 1.00 0.00 H new ATOM 0 HB3 SER B 23 86.646 19.786 3.758 1.00 0.00 H new ATOM 0 HG SER B 23 88.668 19.922 4.909 1.00 0.00 H new ATOM 483 N ASP B 24 85.205 17.491 2.617 1.00 0.00 N ATOM 484 CA ASP B 24 84.207 17.305 1.558 1.00 0.00 C ATOM 485 C ASP B 24 84.226 15.852 1.067 1.00 0.00 C ATOM 486 O ASP B 24 85.275 15.213 1.094 1.00 0.00 O ATOM 487 CB ASP B 24 84.534 18.236 0.388 1.00 0.00 C ATOM 488 CG ASP B 24 84.810 19.643 0.908 1.00 0.00 C ATOM 489 OD1 ASP B 24 83.901 20.239 1.460 1.00 0.00 O ATOM 490 OD2 ASP B 24 85.929 20.104 0.745 1.00 0.00 O ATOM 0 H ASP B 24 86.165 17.310 2.324 1.00 0.00 H new ATOM 0 HA ASP B 24 83.218 17.537 1.954 1.00 0.00 H new ATOM 0 HB2 ASP B 24 85.402 17.862 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP B 24 83.702 18.255 -0.316 1.00 0.00 H new ATOM 495 N PRO B 25 83.109 15.318 0.612 1.00 0.00 N ATOM 496 CA PRO B 25 83.045 13.915 0.104 1.00 0.00 C ATOM 497 C PRO B 25 84.299 13.522 -0.675 1.00 0.00 C ATOM 498 O PRO B 25 84.339 13.622 -1.901 1.00 0.00 O ATOM 499 CB PRO B 25 81.810 13.936 -0.801 1.00 0.00 C ATOM 500 CG PRO B 25 80.892 14.935 -0.165 1.00 0.00 C ATOM 501 CD PRO B 25 81.788 15.977 0.529 1.00 0.00 C ATOM 0 HA PRO B 25 82.985 13.180 0.907 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.069 14.228 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.345 12.952 -0.860 1.00 0.00 H new ATOM 0 HG2 PRO B 25 80.256 15.408 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO B 25 80.232 14.451 0.555 1.00 0.00 H new ATOM 0 HD2 PRO B 25 81.840 16.903 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.408 16.234 1.518 1.00 0.00 H new ATOM 509 N LEU B 26 85.300 13.081 0.032 1.00 0.00 N ATOM 510 CA LEU B 26 86.549 12.670 -0.595 1.00 0.00 C ATOM 511 C LEU B 26 86.341 11.362 -1.367 1.00 0.00 C ATOM 512 O LEU B 26 86.730 11.239 -2.528 1.00 0.00 O ATOM 513 CB LEU B 26 87.618 12.488 0.504 1.00 0.00 C ATOM 514 CG LEU B 26 88.997 12.979 0.029 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.034 12.735 1.137 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.408 12.234 -1.249 1.00 0.00 C ATOM 0 H LEU B 26 85.287 12.992 1.048 1.00 0.00 H new ATOM 0 HA LEU B 26 86.881 13.431 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.322 13.038 1.397 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.680 11.436 0.783 1.00 0.00 H new ATOM 0 HG LEU B 26 88.946 14.046 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU B 26 91.012 13.082 0.803 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.743 13.280 2.035 1.00 0.00 H new ATOM 0 HD13 LEU B 26 90.084 11.669 1.360 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.385 12.588 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU B 26 89.459 11.164 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU B 26 88.672 12.420 -2.031 1.00 0.00 H new ATOM 528 N VAL B 27 85.748 10.404 -0.701 1.00 0.00 N ATOM 529 CA VAL B 27 85.494 9.090 -1.289 1.00 0.00 C ATOM 530 C VAL B 27 84.635 9.173 -2.552 1.00 0.00 C ATOM 531 O VAL B 27 84.959 8.554 -3.565 1.00 0.00 O ATOM 532 CB VAL B 27 84.775 8.206 -0.264 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.474 6.834 -0.872 1.00 0.00 C ATOM 534 CG2 VAL B 27 85.660 8.031 0.970 1.00 0.00 C ATOM 0 H VAL B 27 85.424 10.501 0.261 1.00 0.00 H new ATOM 0 HA VAL B 27 86.459 8.666 -1.565 1.00 0.00 H new ATOM 0 HB VAL B 27 83.838 8.684 0.021 1.00 0.00 H new ATOM 0 HG11 VAL B 27 83.963 6.214 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL B 27 83.837 6.956 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.407 6.354 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL B 27 85.148 7.402 1.699 1.00 0.00 H new ATOM 0 HG22 VAL B 27 86.599 7.560 0.680 1.00 0.00 H new ATOM 0 HG23 VAL B 27 85.865 9.006 1.412 1.00 0.00 H new ATOM 544 N VAL B 28 83.558 9.911 -2.493 1.00 0.00 N ATOM 545 CA VAL B 28 82.660 10.053 -3.639 1.00 0.00 C ATOM 546 C VAL B 28 83.269 10.907 -4.744 1.00 0.00 C ATOM 547 O VAL B 28 82.903 10.780 -5.913 1.00 0.00 O ATOM 548 CB VAL B 28 81.337 10.679 -3.189 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.314 10.582 -4.324 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.805 9.932 -1.961 1.00 0.00 C ATOM 0 H VAL B 28 83.269 10.431 -1.664 1.00 0.00 H new ATOM 0 HA VAL B 28 82.489 9.055 -4.042 1.00 0.00 H new ATOM 0 HB VAL B 28 81.502 11.726 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.372 11.028 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL B 28 80.689 11.114 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.152 9.535 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL B 28 79.863 10.379 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.642 8.885 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL B 28 81.531 10.000 -1.151 1.00 0.00 H new ATOM 560 N ALA B 29 84.171 11.770 -4.375 1.00 0.00 N ATOM 561 CA ALA B 29 84.806 12.649 -5.349 1.00 0.00 C ATOM 562 C ALA B 29 85.762 11.884 -6.264 1.00 0.00 C ATOM 563 O ALA B 29 85.681 11.996 -7.483 1.00 0.00 O ATOM 564 CB ALA B 29 85.567 13.762 -4.631 1.00 0.00 C ATOM 0 H ALA B 29 84.491 11.894 -3.414 1.00 0.00 H new ATOM 0 HA ALA B 29 84.018 13.079 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.038 14.414 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.874 14.343 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.333 13.325 -3.991 1.00 0.00 H new ATOM 570 N ALA B 30 86.661 11.135 -5.684 1.00 0.00 N ATOM 571 CA ALA B 30 87.625 10.374 -6.465 1.00 0.00 C ATOM 572 C ALA B 30 86.977 9.159 -7.134 1.00 0.00 C ATOM 573 O ALA B 30 87.440 8.689 -8.175 1.00 0.00 O ATOM 574 CB ALA B 30 88.788 9.955 -5.574 1.00 0.00 C ATOM 0 H ALA B 30 86.754 11.029 -4.674 1.00 0.00 H new ATOM 0 HA ALA B 30 88.002 11.012 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA B 30 89.509 9.385 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA B 30 89.272 10.842 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA B 30 88.416 9.337 -4.757 1.00 0.00 H new ATOM 580 N SER B 31 85.932 8.655 -6.531 1.00 0.00 N ATOM 581 CA SER B 31 85.234 7.484 -7.059 1.00 0.00 C ATOM 582 C SER B 31 84.498 7.801 -8.362 1.00 0.00 C ATOM 583 O SER B 31 84.474 6.983 -9.281 1.00 0.00 O ATOM 584 CB SER B 31 84.235 6.977 -6.022 1.00 0.00 C ATOM 585 OG SER B 31 83.634 5.779 -6.496 1.00 0.00 O ATOM 0 H SER B 31 85.535 9.030 -5.670 1.00 0.00 H new ATOM 0 HA SER B 31 85.980 6.718 -7.273 1.00 0.00 H new ATOM 0 HB2 SER B 31 84.739 6.794 -5.073 1.00 0.00 H new ATOM 0 HB3 SER B 31 83.471 7.732 -5.836 1.00 0.00 H new ATOM 0 HG SER B 31 82.993 5.450 -5.832 1.00 0.00 H new ATOM 591 N ILE B 32 83.900 8.960 -8.432 1.00 0.00 N ATOM 592 CA ILE B 32 83.147 9.384 -9.611 1.00 0.00 C ATOM 593 C ILE B 32 83.924 9.185 -10.912 1.00 0.00 C ATOM 594 O ILE B 32 83.325 9.092 -11.980 1.00 0.00 O ATOM 595 CB ILE B 32 82.733 10.865 -9.464 1.00 0.00 C ATOM 596 CG1 ILE B 32 81.513 11.155 -10.352 1.00 0.00 C ATOM 597 CG2 ILE B 32 83.892 11.794 -9.869 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.078 12.608 -10.158 1.00 0.00 C ATOM 0 H ILE B 32 83.914 9.647 -7.679 1.00 0.00 H new ATOM 0 HA ILE B 32 82.261 8.752 -9.670 1.00 0.00 H new ATOM 0 HB ILE B 32 82.480 11.051 -8.420 1.00 0.00 H new ATOM 0 HG12 ILE B 32 81.760 10.974 -11.398 1.00 0.00 H new ATOM 0 HG13 ILE B 32 80.695 10.482 -10.096 1.00 0.00 H new ATOM 0 HG21 ILE B 32 83.581 12.833 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE B 32 84.753 11.603 -9.228 1.00 0.00 H new ATOM 0 HG23 ILE B 32 84.164 11.605 -10.907 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.213 12.816 -10.787 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.815 12.773 -9.113 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.896 13.273 -10.435 1.00 0.00 H new ATOM 610 N ILE B 33 85.223 9.144 -10.841 1.00 0.00 N ATOM 611 CA ILE B 33 86.025 8.979 -12.045 1.00 0.00 C ATOM 612 C ILE B 33 85.786 7.624 -12.712 1.00 0.00 C ATOM 613 O ILE B 33 85.731 7.538 -13.936 1.00 0.00 O ATOM 614 CB ILE B 33 87.507 9.143 -11.707 1.00 0.00 C ATOM 615 CG1 ILE B 33 87.719 10.501 -11.029 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.335 9.076 -12.993 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.156 10.608 -10.519 1.00 0.00 C ATOM 0 H ILE B 33 85.757 9.221 -9.976 1.00 0.00 H new ATOM 0 HA ILE B 33 85.721 9.750 -12.753 1.00 0.00 H new ATOM 0 HB ILE B 33 87.822 8.345 -11.035 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.513 11.306 -11.735 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.020 10.617 -10.201 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.392 9.193 -12.752 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.178 8.112 -13.477 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.026 9.875 -13.667 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.300 11.575 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.347 9.813 -9.798 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.847 10.512 -11.356 1.00 0.00 H new ATOM 629 N GLY B 34 85.713 6.574 -11.943 1.00 0.00 N ATOM 630 CA GLY B 34 85.559 5.239 -12.512 1.00 0.00 C ATOM 631 C GLY B 34 84.490 5.155 -13.601 1.00 0.00 C ATOM 632 O GLY B 34 84.761 4.637 -14.682 1.00 0.00 O ATOM 0 H GLY B 34 85.756 6.602 -10.924 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.514 4.918 -12.928 1.00 0.00 H new ATOM 0 HA3 GLY B 34 85.308 4.540 -11.714 1.00 0.00 H new ATOM 636 N ILE B 35 83.308 5.641 -13.347 1.00 0.00 N ATOM 637 CA ILE B 35 82.267 5.571 -14.370 1.00 0.00 C ATOM 638 C ILE B 35 82.691 6.369 -15.608 1.00 0.00 C ATOM 639 O ILE B 35 82.416 5.961 -16.736 1.00 0.00 O ATOM 640 CB ILE B 35 80.915 6.058 -13.804 1.00 0.00 C ATOM 641 CG1 ILE B 35 79.989 6.521 -14.940 1.00 0.00 C ATOM 642 CG2 ILE B 35 81.149 7.207 -12.833 1.00 0.00 C ATOM 643 CD1 ILE B 35 78.557 6.653 -14.416 1.00 0.00 C ATOM 0 H ILE B 35 83.031 6.081 -12.470 1.00 0.00 H new ATOM 0 HA ILE B 35 82.133 4.533 -14.674 1.00 0.00 H new ATOM 0 HB ILE B 35 80.438 5.229 -13.281 1.00 0.00 H new ATOM 0 HG12 ILE B 35 80.332 7.477 -15.335 1.00 0.00 H new ATOM 0 HG13 ILE B 35 80.021 5.807 -15.763 1.00 0.00 H new ATOM 0 HG21 ILE B 35 80.193 7.548 -12.436 1.00 0.00 H new ATOM 0 HG22 ILE B 35 81.782 6.867 -12.013 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.640 8.029 -13.354 1.00 0.00 H new ATOM 0 HD11 ILE B 35 77.903 6.981 -15.224 1.00 0.00 H new ATOM 0 HD12 ILE B 35 78.216 5.688 -14.043 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.531 7.384 -13.608 1.00 0.00 H new ATOM 655 N LEU B 36 83.367 7.467 -15.403 1.00 0.00 N ATOM 656 CA LEU B 36 83.835 8.278 -16.528 1.00 0.00 C ATOM 657 C LEU B 36 84.796 7.445 -17.375 1.00 0.00 C ATOM 658 O LEU B 36 84.656 7.346 -18.593 1.00 0.00 O ATOM 659 CB LEU B 36 84.566 9.520 -15.994 1.00 0.00 C ATOM 660 CG LEU B 36 84.903 10.498 -17.142 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.723 11.449 -17.381 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.145 11.326 -16.768 1.00 0.00 C ATOM 0 H LEU B 36 83.612 7.830 -14.482 1.00 0.00 H new ATOM 0 HA LEU B 36 82.986 8.593 -17.135 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.944 10.023 -15.254 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.483 9.218 -15.488 1.00 0.00 H new ATOM 0 HG LEU B 36 85.100 9.925 -18.048 1.00 0.00 H new ATOM 0 HD11 LEU B 36 83.967 12.136 -18.191 1.00 0.00 H new ATOM 0 HD12 LEU B 36 82.839 10.871 -17.649 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.523 12.017 -16.472 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.381 12.015 -17.579 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.945 11.892 -15.858 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.991 10.659 -16.602 1.00 0.00 H new ATOM 674 N HIS B 37 85.755 6.869 -16.709 1.00 0.00 N ATOM 675 CA HIS B 37 86.756 6.044 -17.375 1.00 0.00 C ATOM 676 C HIS B 37 86.092 4.823 -18.027 1.00 0.00 C ATOM 677 O HIS B 37 86.550 4.342 -19.063 1.00 0.00 O ATOM 678 CB HIS B 37 87.881 5.653 -16.364 1.00 0.00 C ATOM 679 CG HIS B 37 87.911 4.169 -16.041 1.00 0.00 C ATOM 680 ND1 HIS B 37 87.733 3.183 -17.000 1.00 0.00 N ATOM 681 CD2 HIS B 37 88.117 3.497 -14.859 1.00 0.00 C ATOM 682 CE1 HIS B 37 87.829 1.992 -16.385 1.00 0.00 C ATOM 683 NE2 HIS B 37 88.061 2.127 -15.080 1.00 0.00 N ATOM 0 H HIS B 37 85.876 6.948 -15.699 1.00 0.00 H new ATOM 0 HA HIS B 37 87.227 6.611 -18.178 1.00 0.00 H new ATOM 0 HB2 HIS B 37 88.847 5.948 -16.774 1.00 0.00 H new ATOM 0 HB3 HIS B 37 87.742 6.216 -15.441 1.00 0.00 H new ATOM 0 HD1 HIS B 37 87.560 3.335 -17.994 1.00 0.00 H new ATOM 0 HD2 HIS B 37 88.296 3.965 -13.902 1.00 0.00 H new ATOM 0 HE1 HIS B 37 87.730 1.041 -16.887 1.00 0.00 H new ATOM 692 N PHE B 38 85.050 4.324 -17.418 1.00 0.00 N ATOM 693 CA PHE B 38 84.360 3.147 -17.947 1.00 0.00 C ATOM 694 C PHE B 38 83.702 3.419 -19.306 1.00 0.00 C ATOM 695 O PHE B 38 83.826 2.616 -20.227 1.00 0.00 O ATOM 696 CB PHE B 38 83.296 2.666 -16.952 1.00 0.00 C ATOM 697 CG PHE B 38 82.560 1.480 -17.537 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.523 1.688 -18.454 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.918 0.176 -17.169 1.00 0.00 C ATOM 700 CE1 PHE B 38 80.843 0.594 -19.003 1.00 0.00 C ATOM 701 CE2 PHE B 38 82.237 -0.918 -17.719 1.00 0.00 C ATOM 702 CZ PHE B 38 81.201 -0.708 -18.636 1.00 0.00 C ATOM 0 H PHE B 38 84.651 4.702 -16.559 1.00 0.00 H new ATOM 0 HA PHE B 38 85.114 2.373 -18.091 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.765 2.388 -16.008 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.595 3.472 -16.735 1.00 0.00 H new ATOM 0 HD1 PHE B 38 81.247 2.693 -18.738 1.00 0.00 H new ATOM 0 HD2 PHE B 38 83.718 0.014 -16.462 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.042 0.755 -19.710 1.00 0.00 H new ATOM 0 HE2 PHE B 38 82.512 -1.923 -17.435 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.677 -1.552 -19.061 1.00 0.00 H new ATOM 712 N ILE B 39 82.990 4.508 -19.421 1.00 0.00 N ATOM 713 CA ILE B 39 82.304 4.820 -20.678 1.00 0.00 C ATOM 714 C ILE B 39 83.283 5.200 -21.789 1.00 0.00 C ATOM 715 O ILE B 39 83.054 4.880 -22.953 1.00 0.00 O ATOM 716 CB ILE B 39 81.292 5.948 -20.465 1.00 0.00 C ATOM 717 CG1 ILE B 39 81.991 7.171 -19.865 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.191 5.471 -19.517 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.995 8.331 -19.776 1.00 0.00 C ATOM 0 H ILE B 39 82.861 5.196 -18.679 1.00 0.00 H new ATOM 0 HA ILE B 39 81.781 3.917 -20.994 1.00 0.00 H new ATOM 0 HB ILE B 39 80.854 6.223 -21.425 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.379 6.933 -18.875 1.00 0.00 H new ATOM 0 HG13 ILE B 39 82.844 7.455 -20.481 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.469 6.274 -19.364 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.687 4.607 -19.950 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.631 5.192 -18.560 1.00 0.00 H new ATOM 0 HD11 ILE B 39 81.490 9.203 -19.349 1.00 0.00 H new ATOM 0 HD12 ILE B 39 80.629 8.573 -20.774 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.157 8.043 -19.142 1.00 0.00 H new ATOM 731 N ALA B 40 84.350 5.858 -21.438 1.00 0.00 N ATOM 732 CA ALA B 40 85.354 6.258 -22.424 1.00 0.00 C ATOM 733 C ALA B 40 86.066 5.028 -22.983 1.00 0.00 C ATOM 734 O ALA B 40 86.578 5.040 -24.103 1.00 0.00 O ATOM 735 CB ALA B 40 86.375 7.198 -21.781 1.00 0.00 C ATOM 0 H ALA B 40 84.562 6.136 -20.480 1.00 0.00 H new ATOM 0 HA ALA B 40 84.853 6.778 -23.240 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.118 7.490 -22.523 1.00 0.00 H new ATOM 0 HB2 ALA B 40 85.866 8.087 -21.407 1.00 0.00 H new ATOM 0 HB3 ALA B 40 86.869 6.688 -20.954 1.00 0.00 H new ATOM 741 N TRP B 41 86.110 4.001 -22.183 1.00 0.00 N ATOM 742 CA TRP B 41 86.777 2.751 -22.538 1.00 0.00 C ATOM 743 C TRP B 41 86.383 2.246 -23.922 1.00 0.00 C ATOM 744 O TRP B 41 87.234 1.791 -24.687 1.00 0.00 O ATOM 745 CB TRP B 41 86.384 1.691 -21.512 1.00 0.00 C ATOM 746 CG TRP B 41 87.135 0.425 -21.752 1.00 0.00 C ATOM 747 CD1 TRP B 41 87.009 -0.375 -22.839 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.106 -0.216 -20.881 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.866 -1.451 -22.698 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.560 -1.398 -21.504 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.636 0.118 -19.624 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.509 -2.219 -20.900 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.586 -0.711 -19.009 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.024 -1.879 -19.647 1.00 0.00 C ATOM 0 H TRP B 41 85.685 3.993 -21.256 1.00 0.00 H new ATOM 0 HA TRP B 41 87.851 2.938 -22.546 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.589 2.057 -20.506 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.312 1.501 -21.570 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.349 -0.201 -23.676 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.973 -2.193 -23.390 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.310 1.020 -19.127 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.846 -3.116 -21.399 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 89.982 -0.448 -18.039 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.757 -2.514 -19.172 1.00 0.00 H new ATOM 765 N THR B 42 85.118 2.272 -24.215 1.00 0.00 N ATOM 766 CA THR B 42 84.633 1.754 -25.490 1.00 0.00 C ATOM 767 C THR B 42 85.462 2.271 -26.663 1.00 0.00 C ATOM 768 O THR B 42 85.700 1.539 -27.624 1.00 0.00 O ATOM 769 CB THR B 42 83.179 2.175 -25.689 1.00 0.00 C ATOM 770 OG1 THR B 42 82.698 1.642 -26.914 1.00 0.00 O ATOM 771 CG2 THR B 42 83.095 3.702 -25.727 1.00 0.00 C ATOM 0 H THR B 42 84.393 2.642 -23.601 1.00 0.00 H new ATOM 0 HA THR B 42 84.719 0.668 -25.462 1.00 0.00 H new ATOM 0 HB THR B 42 82.572 1.798 -24.866 1.00 0.00 H new ATOM 0 HG1 THR B 42 81.764 1.910 -27.043 1.00 0.00 H new ATOM 0 HG21 THR B 42 82.058 4.006 -25.869 1.00 0.00 H new ATOM 0 HG22 THR B 42 83.467 4.110 -24.788 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.700 4.079 -26.552 1.00 0.00 H new ATOM 779 N ILE B 43 85.864 3.510 -26.610 1.00 0.00 N ATOM 780 CA ILE B 43 86.628 4.088 -27.710 1.00 0.00 C ATOM 781 C ILE B 43 87.777 3.174 -28.135 1.00 0.00 C ATOM 782 O ILE B 43 87.924 2.886 -29.318 1.00 0.00 O ATOM 783 CB ILE B 43 87.182 5.455 -27.306 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.015 6.406 -27.025 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.039 6.013 -28.448 1.00 0.00 C ATOM 786 CD1 ILE B 43 86.543 7.709 -26.424 1.00 0.00 C ATOM 0 H ILE B 43 85.684 4.144 -25.831 1.00 0.00 H new ATOM 0 HA ILE B 43 85.952 4.203 -28.557 1.00 0.00 H new ATOM 0 HB ILE B 43 87.795 5.356 -26.410 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.473 6.614 -27.947 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.309 5.938 -26.339 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.435 6.988 -28.163 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.865 5.331 -28.650 1.00 0.00 H new ATOM 0 HG23 ILE B 43 87.427 6.118 -29.344 1.00 0.00 H new ATOM 0 HD11 ILE B 43 85.709 8.382 -26.226 1.00 0.00 H new ATOM 0 HD12 ILE B 43 87.065 7.494 -25.492 1.00 0.00 H new ATOM 0 HD13 ILE B 43 87.231 8.181 -27.125 1.00 0.00 H new ATOM 798 N GLY B 44 88.571 2.725 -27.197 1.00 0.00 N ATOM 799 CA GLY B 44 89.695 1.845 -27.534 1.00 0.00 C ATOM 800 C GLY B 44 89.212 0.625 -28.321 1.00 0.00 C ATOM 801 O GLY B 44 89.774 0.279 -29.357 1.00 0.00 O ATOM 0 H GLY B 44 88.475 2.941 -26.205 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.430 2.395 -28.122 1.00 0.00 H new ATOM 0 HA3 GLY B 44 90.195 1.520 -26.621 1.00 0.00 H new ATOM 805 N HIS B 45 88.221 -0.040 -27.792 1.00 0.00 N ATOM 806 CA HIS B 45 87.690 -1.263 -28.392 1.00 0.00 C ATOM 807 C HIS B 45 87.519 -1.151 -29.901 1.00 0.00 C ATOM 808 O HIS B 45 87.565 -2.163 -30.600 1.00 0.00 O ATOM 809 CB HIS B 45 86.340 -1.591 -27.749 1.00 0.00 C ATOM 810 CG HIS B 45 85.784 -2.871 -28.318 1.00 0.00 C ATOM 811 ND1 HIS B 45 85.064 -2.906 -29.502 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.809 -4.166 -27.858 1.00 0.00 C ATOM 813 CE1 HIS B 45 84.685 -4.181 -29.710 1.00 0.00 C ATOM 814 NE2 HIS B 45 85.113 -4.989 -28.738 1.00 0.00 N ATOM 0 H HIS B 45 87.749 0.240 -26.932 1.00 0.00 H new ATOM 0 HA HIS B 45 88.412 -2.059 -28.208 1.00 0.00 H new ATOM 0 HB2 HIS B 45 86.458 -1.686 -26.670 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.639 -0.774 -27.922 1.00 0.00 H new ATOM 0 HD2 HIS B 45 86.295 -4.495 -26.951 1.00 0.00 H new ATOM 0 HE1 HIS B 45 84.105 -4.510 -30.560 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.962 -5.995 -28.657 1.00 0.00 H new ATOM 823 N LEU B 46 87.364 0.036 -30.411 1.00 0.00 N ATOM 824 CA LEU B 46 87.239 0.169 -31.862 1.00 0.00 C ATOM 825 C LEU B 46 88.428 -0.563 -32.503 1.00 0.00 C ATOM 826 O LEU B 46 88.271 -1.361 -33.417 1.00 0.00 O ATOM 827 CB LEU B 46 87.140 1.678 -32.269 1.00 0.00 C ATOM 828 CG LEU B 46 88.460 2.277 -32.848 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.127 3.525 -33.682 1.00 0.00 C ATOM 830 CD2 LEU B 46 89.417 2.682 -31.708 1.00 0.00 C ATOM 0 H LEU B 46 87.320 0.906 -29.881 1.00 0.00 H new ATOM 0 HA LEU B 46 86.319 -0.289 -32.226 1.00 0.00 H new ATOM 0 HB2 LEU B 46 86.348 1.791 -33.010 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.844 2.259 -31.395 1.00 0.00 H new ATOM 0 HG LEU B 46 88.943 1.522 -33.468 1.00 0.00 H new ATOM 0 HD11 LEU B 46 89.046 3.947 -34.088 1.00 0.00 H new ATOM 0 HD12 LEU B 46 87.462 3.249 -34.500 1.00 0.00 H new ATOM 0 HD13 LEU B 46 87.637 4.265 -33.050 1.00 0.00 H new ATOM 0 HD21 LEU B 46 90.332 3.097 -32.131 1.00 0.00 H new ATOM 0 HD22 LEU B 46 88.936 3.430 -31.078 1.00 0.00 H new ATOM 0 HD23 LEU B 46 89.660 1.805 -31.108 1.00 0.00 H new ATOM 842 N ASN B 47 89.587 -0.228 -32.030 1.00 0.00 N ATOM 843 CA ASN B 47 90.835 -0.792 -32.546 1.00 0.00 C ATOM 844 C ASN B 47 90.947 -2.311 -32.309 1.00 0.00 C ATOM 845 O ASN B 47 91.289 -3.061 -33.223 1.00 0.00 O ATOM 846 CB ASN B 47 92.026 -0.095 -31.888 1.00 0.00 C ATOM 847 CG ASN B 47 93.327 -0.705 -32.394 1.00 0.00 C ATOM 848 OD1 ASN B 47 93.639 -1.852 -32.076 1.00 0.00 O ATOM 849 ND2 ASN B 47 94.111 -0.004 -33.166 1.00 0.00 N ATOM 0 H ASN B 47 89.715 0.444 -31.274 1.00 0.00 H new ATOM 0 HA ASN B 47 90.836 -0.626 -33.623 1.00 0.00 H new ATOM 0 HB2 ASN B 47 92.003 0.972 -32.111 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.964 -0.195 -30.804 1.00 0.00 H new ATOM 0 HD21 ASN B 47 94.984 -0.407 -33.507 1.00 0.00 H new ATOM 0 HD22 ASN B 47 93.851 0.947 -33.429 1.00 0.00 H new ATOM 856 N GLN B 48 90.717 -2.739 -31.095 1.00 0.00 N ATOM 857 CA GLN B 48 90.848 -4.145 -30.725 1.00 0.00 C ATOM 858 C GLN B 48 89.846 -5.083 -31.410 1.00 0.00 C ATOM 859 O GLN B 48 89.237 -5.921 -30.743 1.00 0.00 O ATOM 860 CB GLN B 48 90.674 -4.264 -29.209 1.00 0.00 C ATOM 861 CG GLN B 48 91.547 -3.222 -28.500 1.00 0.00 C ATOM 862 CD GLN B 48 92.997 -3.342 -28.960 1.00 0.00 C ATOM 863 OE1 GLN B 48 93.740 -4.311 -28.500 1.00 0.00 O flip ATOM 864 NE2 GLN B 48 93.463 -2.532 -29.761 1.00 0.00 N flip ATOM 0 H GLN B 48 90.433 -2.131 -30.327 1.00 0.00 H new ATOM 0 HA GLN B 48 91.836 -4.461 -31.060 1.00 0.00 H new ATOM 0 HB2 GLN B 48 89.628 -4.117 -28.942 1.00 0.00 H new ATOM 0 HB3 GLN B 48 90.949 -5.266 -28.880 1.00 0.00 H new ATOM 0 HG2 GLN B 48 91.173 -2.220 -28.712 1.00 0.00 H new ATOM 0 HG3 GLN B 48 91.488 -3.363 -27.421 1.00 0.00 H new ATOM 0 HE21 GLN B 48 92.880 -1.776 -30.119 1.00 0.00 H new ATOM 0 HE22 GLN B 48 94.432 -2.617 -30.067 1.00 0.00 H new ATOM 873 N ILE B 49 89.689 -4.983 -32.702 1.00 0.00 N ATOM 874 CA ILE B 49 88.767 -5.881 -33.409 1.00 0.00 C ATOM 875 C ILE B 49 89.125 -5.979 -34.891 1.00 0.00 C ATOM 876 O ILE B 49 89.244 -7.079 -35.431 1.00 0.00 O ATOM 877 CB ILE B 49 87.315 -5.407 -33.242 1.00 0.00 C ATOM 878 CG1 ILE B 49 86.353 -6.510 -33.703 1.00 0.00 C ATOM 879 CG2 ILE B 49 87.079 -4.149 -34.080 1.00 0.00 C ATOM 880 CD1 ILE B 49 84.919 -6.130 -33.326 1.00 0.00 C ATOM 0 H ILE B 49 90.171 -4.306 -33.294 1.00 0.00 H new ATOM 0 HA ILE B 49 88.863 -6.873 -32.969 1.00 0.00 H new ATOM 0 HB ILE B 49 87.135 -5.182 -32.191 1.00 0.00 H new ATOM 0 HG12 ILE B 49 86.432 -6.648 -34.781 1.00 0.00 H new ATOM 0 HG13 ILE B 49 86.623 -7.459 -33.239 1.00 0.00 H new ATOM 0 HG21 ILE B 49 86.048 -3.818 -33.957 1.00 0.00 H new ATOM 0 HG22 ILE B 49 87.755 -3.360 -33.750 1.00 0.00 H new ATOM 0 HG23 ILE B 49 87.266 -4.371 -35.131 1.00 0.00 H new ATOM 0 HD11 ILE B 49 84.237 -6.914 -33.654 1.00 0.00 H new ATOM 0 HD12 ILE B 49 84.846 -6.014 -32.245 1.00 0.00 H new ATOM 0 HD13 ILE B 49 84.652 -5.191 -33.811 1.00 0.00 H new ATOM 892 N LYS B 50 89.283 -4.853 -35.536 1.00 0.00 N ATOM 893 CA LYS B 50 89.615 -4.834 -36.958 1.00 0.00 C ATOM 894 C LYS B 50 90.696 -5.864 -37.278 1.00 0.00 C ATOM 895 O LYS B 50 90.601 -6.587 -38.269 1.00 0.00 O ATOM 896 CB LYS B 50 90.103 -3.435 -37.357 1.00 0.00 C ATOM 897 CG LYS B 50 89.007 -2.388 -37.062 1.00 0.00 C ATOM 898 CD LYS B 50 88.014 -2.289 -38.245 1.00 0.00 C ATOM 899 CE LYS B 50 88.454 -1.188 -39.219 1.00 0.00 C ATOM 900 NZ LYS B 50 89.836 -1.468 -39.703 1.00 0.00 N ATOM 0 H LYS B 50 89.190 -3.931 -35.110 1.00 0.00 H new ATOM 0 HA LYS B 50 88.718 -5.086 -37.524 1.00 0.00 H new ATOM 0 HB2 LYS B 50 91.011 -3.187 -36.807 1.00 0.00 H new ATOM 0 HB3 LYS B 50 90.357 -3.418 -38.417 1.00 0.00 H new ATOM 0 HG2 LYS B 50 88.471 -2.661 -36.153 1.00 0.00 H new ATOM 0 HG3 LYS B 50 89.465 -1.415 -36.882 1.00 0.00 H new ATOM 0 HD2 LYS B 50 87.962 -3.245 -38.766 1.00 0.00 H new ATOM 0 HD3 LYS B 50 87.013 -2.075 -37.871 1.00 0.00 H new ATOM 0 HE2 LYS B 50 87.766 -1.139 -40.063 1.00 0.00 H new ATOM 0 HE3 LYS B 50 88.421 -0.217 -38.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 90.080 -0.800 -40.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 90.508 -1.360 -38.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 89.885 -2.440 -40.069 1.00 0.00 H new ATOM 914 N ARG B 51 91.700 -5.925 -36.447 1.00 0.00 N ATOM 915 CA ARG B 51 92.788 -6.873 -36.654 1.00 0.00 C ATOM 916 C ARG B 51 92.279 -8.305 -36.525 1.00 0.00 C ATOM 917 O ARG B 51 92.660 -9.181 -37.301 1.00 0.00 O ATOM 918 CB ARG B 51 93.896 -6.628 -35.628 1.00 0.00 C ATOM 919 CG ARG B 51 94.618 -5.322 -35.958 1.00 0.00 C ATOM 920 CD ARG B 51 95.755 -5.100 -34.959 1.00 0.00 C ATOM 921 NE ARG B 51 96.491 -3.888 -35.295 1.00 0.00 N ATOM 922 CZ ARG B 51 97.264 -3.839 -36.346 1.00 0.00 C ATOM 923 NH1 ARG B 51 97.380 -4.885 -37.118 1.00 0.00 N ATOM 924 NH2 ARG B 51 97.918 -2.746 -36.626 1.00 0.00 N ATOM 0 H ARG B 51 91.798 -5.337 -35.620 1.00 0.00 H new ATOM 0 HA ARG B 51 93.186 -6.729 -37.658 1.00 0.00 H new ATOM 0 HB2 ARG B 51 93.473 -6.578 -34.625 1.00 0.00 H new ATOM 0 HB3 ARG B 51 94.602 -7.458 -35.635 1.00 0.00 H new ATOM 0 HG2 ARG B 51 95.014 -5.359 -36.973 1.00 0.00 H new ATOM 0 HG3 ARG B 51 93.918 -4.487 -35.919 1.00 0.00 H new ATOM 0 HD2 ARG B 51 95.352 -5.021 -33.949 1.00 0.00 H new ATOM 0 HD3 ARG B 51 96.428 -5.957 -34.967 1.00 0.00 H new ATOM 0 HE ARG B 51 96.401 -3.065 -34.700 1.00 0.00 H new ATOM 0 HH11 ARG B 51 96.867 -5.739 -36.900 1.00 0.00 H new ATOM 0 HH12 ARG B 51 97.984 -4.848 -37.939 1.00 0.00 H new ATOM 0 HH21 ARG B 51 97.826 -1.928 -36.024 1.00 0.00 H new ATOM 0 HH22 ARG B 51 98.522 -2.709 -37.447 1.00 0.00 H new ATOM 938 N GLY B 52 91.430 -8.529 -35.559 1.00 0.00 N ATOM 939 CA GLY B 52 90.874 -9.859 -35.339 1.00 0.00 C ATOM 940 C GLY B 52 89.901 -9.856 -34.164 1.00 0.00 C ATOM 0 H GLY B 52 91.102 -7.817 -34.907 1.00 0.00 H new ATOM 0 HA2 GLY B 52 90.361 -10.197 -36.240 1.00 0.00 H new ATOM 0 HA3 GLY B 52 91.680 -10.567 -35.147 1.00 0.00 H new TER 944 GLY B 52 ATOM 945 N SER C 23 95.606 9.411 10.828 1.00 0.00 N ATOM 946 CA SER C 23 94.514 8.572 11.396 1.00 0.00 C ATOM 947 C SER C 23 93.981 7.637 10.315 1.00 0.00 C ATOM 948 O SER C 23 93.639 6.487 10.589 1.00 0.00 O ATOM 949 CB SER C 23 93.390 9.477 11.903 1.00 0.00 C ATOM 950 OG SER C 23 92.370 8.677 12.487 1.00 0.00 O ATOM 0 HA SER C 23 94.898 7.979 12.226 1.00 0.00 H new ATOM 0 HB2 SER C 23 93.779 10.183 12.637 1.00 0.00 H new ATOM 0 HB3 SER C 23 92.981 10.064 11.081 1.00 0.00 H new ATOM 0 HG SER C 23 91.649 9.254 12.814 1.00 0.00 H new ATOM 955 N ASP C 24 93.913 8.131 9.109 1.00 0.00 N ATOM 956 CA ASP C 24 93.419 7.331 7.994 1.00 0.00 C ATOM 957 C ASP C 24 93.589 8.084 6.676 1.00 0.00 C ATOM 958 O ASP C 24 92.616 8.337 5.965 1.00 0.00 O ATOM 959 CB ASP C 24 91.941 6.997 8.206 1.00 0.00 C ATOM 960 CG ASP C 24 91.143 8.277 8.426 1.00 0.00 C ATOM 961 OD1 ASP C 24 91.283 8.864 9.486 1.00 0.00 O ATOM 962 OD2 ASP C 24 90.403 8.652 7.531 1.00 0.00 O ATOM 0 H ASP C 24 94.190 9.081 8.862 1.00 0.00 H new ATOM 0 HA ASP C 24 93.997 6.408 7.949 1.00 0.00 H new ATOM 0 HB2 ASP C 24 91.553 6.461 7.340 1.00 0.00 H new ATOM 0 HB3 ASP C 24 91.829 6.336 9.066 1.00 0.00 H new ATOM 967 N PRO C 25 94.801 8.444 6.344 1.00 0.00 N ATOM 968 CA PRO C 25 95.107 9.185 5.084 1.00 0.00 C ATOM 969 C PRO C 25 95.011 8.283 3.852 1.00 0.00 C ATOM 970 O PRO C 25 95.412 8.667 2.756 1.00 0.00 O ATOM 971 CB PRO C 25 96.541 9.683 5.308 1.00 0.00 C ATOM 972 CG PRO C 25 97.153 8.676 6.229 1.00 0.00 C ATOM 973 CD PRO C 25 96.019 8.184 7.135 1.00 0.00 C ATOM 0 HA PRO C 25 94.400 9.992 4.889 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.090 9.745 4.368 1.00 0.00 H new ATOM 0 HB3 PRO C 25 96.550 10.680 5.749 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.590 7.850 5.668 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.955 9.122 6.816 1.00 0.00 H new ATOM 0 HD2 PRO C 25 96.125 7.125 7.370 1.00 0.00 H new ATOM 0 HD3 PRO C 25 96.003 8.721 8.083 1.00 0.00 H new ATOM 981 N LEU C 26 94.502 7.100 4.043 1.00 0.00 N ATOM 982 CA LEU C 26 94.372 6.148 2.945 1.00 0.00 C ATOM 983 C LEU C 26 93.417 6.667 1.869 1.00 0.00 C ATOM 984 O LEU C 26 93.654 6.468 0.685 1.00 0.00 O ATOM 985 CB LEU C 26 93.855 4.798 3.480 1.00 0.00 C ATOM 986 CG LEU C 26 95.017 3.964 4.033 1.00 0.00 C ATOM 987 CD1 LEU C 26 95.802 4.792 5.054 1.00 0.00 C ATOM 988 CD2 LEU C 26 94.462 2.710 4.714 1.00 0.00 C ATOM 0 H LEU C 26 94.166 6.759 4.944 1.00 0.00 H new ATOM 0 HA LEU C 26 95.357 6.017 2.497 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.116 4.968 4.263 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.353 4.251 2.682 1.00 0.00 H new ATOM 0 HG LEU C 26 95.678 3.675 3.216 1.00 0.00 H new ATOM 0 HD11 LEU C 26 96.628 4.198 5.446 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.196 5.687 4.571 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.142 5.081 5.872 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.286 2.115 5.108 1.00 0.00 H new ATOM 0 HD22 LEU C 26 93.802 3.002 5.531 1.00 0.00 H new ATOM 0 HD23 LEU C 26 93.903 2.119 3.989 1.00 0.00 H new ATOM 1000 N VAL C 27 92.345 7.290 2.278 1.00 0.00 N ATOM 1001 CA VAL C 27 91.350 7.793 1.328 1.00 0.00 C ATOM 1002 C VAL C 27 91.897 8.897 0.421 1.00 0.00 C ATOM 1003 O VAL C 27 91.678 8.876 -0.790 1.00 0.00 O ATOM 1004 CB VAL C 27 90.141 8.340 2.090 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.069 8.795 1.096 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.564 7.250 2.993 1.00 0.00 C ATOM 0 H VAL C 27 92.125 7.469 3.258 1.00 0.00 H new ATOM 0 HA VAL C 27 91.068 6.952 0.695 1.00 0.00 H new ATOM 0 HB VAL C 27 90.456 9.187 2.699 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.209 9.184 1.641 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.476 9.577 0.454 1.00 0.00 H new ATOM 0 HG13 VAL C 27 88.758 7.949 0.484 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.703 7.643 3.534 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.253 6.401 2.385 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.324 6.928 3.705 1.00 0.00 H new ATOM 1016 N VAL C 28 92.580 9.848 0.997 1.00 0.00 N ATOM 1017 CA VAL C 28 93.128 10.957 0.215 1.00 0.00 C ATOM 1018 C VAL C 28 94.337 10.546 -0.627 1.00 0.00 C ATOM 1019 O VAL C 28 94.463 10.968 -1.773 1.00 0.00 O ATOM 1020 CB VAL C 28 93.496 12.135 1.133 1.00 0.00 C ATOM 1021 CG1 VAL C 28 94.809 11.845 1.862 1.00 0.00 C ATOM 1022 CG2 VAL C 28 93.654 13.407 0.292 1.00 0.00 C ATOM 0 H VAL C 28 92.777 9.891 1.997 1.00 0.00 H new ATOM 0 HA VAL C 28 92.346 11.268 -0.478 1.00 0.00 H new ATOM 0 HB VAL C 28 92.703 12.273 1.868 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.059 12.686 2.509 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.699 10.944 2.465 1.00 0.00 H new ATOM 0 HG13 VAL C 28 95.606 11.699 1.132 1.00 0.00 H new ATOM 0 HG21 VAL C 28 93.915 14.243 0.942 1.00 0.00 H new ATOM 0 HG22 VAL C 28 94.444 13.260 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.716 13.624 -0.219 1.00 0.00 H new ATOM 1032 N ALA C 29 95.217 9.766 -0.057 1.00 0.00 N ATOM 1033 CA ALA C 29 96.433 9.335 -0.749 1.00 0.00 C ATOM 1034 C ALA C 29 96.170 8.331 -1.871 1.00 0.00 C ATOM 1035 O ALA C 29 96.937 8.273 -2.830 1.00 0.00 O ATOM 1036 CB ALA C 29 97.390 8.701 0.261 1.00 0.00 C ATOM 0 H ALA C 29 95.125 9.406 0.893 1.00 0.00 H new ATOM 0 HA ALA C 29 96.865 10.225 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.297 8.378 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.646 9.432 1.028 1.00 0.00 H new ATOM 0 HB3 ALA C 29 96.910 7.840 0.726 1.00 0.00 H new ATOM 1042 N ALA C 30 95.129 7.541 -1.766 1.00 0.00 N ATOM 1043 CA ALA C 30 94.855 6.562 -2.797 1.00 0.00 C ATOM 1044 C ALA C 30 94.322 7.218 -4.078 1.00 0.00 C ATOM 1045 O ALA C 30 94.729 6.845 -5.178 1.00 0.00 O ATOM 1046 CB ALA C 30 93.876 5.529 -2.248 1.00 0.00 C ATOM 0 H ALA C 30 94.465 7.553 -0.991 1.00 0.00 H new ATOM 0 HA ALA C 30 95.786 6.066 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.662 4.786 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.315 5.037 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA C 30 92.950 6.025 -1.955 1.00 0.00 H new ATOM 1052 N SER C 31 93.427 8.168 -3.943 1.00 0.00 N ATOM 1053 CA SER C 31 92.856 8.846 -5.107 1.00 0.00 C ATOM 1054 C SER C 31 93.937 9.491 -5.965 1.00 0.00 C ATOM 1055 O SER C 31 93.767 9.669 -7.172 1.00 0.00 O ATOM 1056 CB SER C 31 91.884 9.922 -4.631 1.00 0.00 C ATOM 1057 OG SER C 31 91.484 10.718 -5.739 1.00 0.00 O ATOM 0 H SER C 31 93.072 8.496 -3.045 1.00 0.00 H new ATOM 0 HA SER C 31 92.339 8.103 -5.715 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.012 9.461 -4.166 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.357 10.546 -3.873 1.00 0.00 H new ATOM 0 HG SER C 31 91.223 11.609 -5.425 1.00 0.00 H new ATOM 1063 N ILE C 32 95.010 9.858 -5.336 1.00 0.00 N ATOM 1064 CA ILE C 32 96.113 10.517 -6.024 1.00 0.00 C ATOM 1065 C ILE C 32 96.474 9.768 -7.305 1.00 0.00 C ATOM 1066 O ILE C 32 96.671 10.386 -8.350 1.00 0.00 O ATOM 1067 CB ILE C 32 97.306 10.576 -5.068 1.00 0.00 C ATOM 1068 CG1 ILE C 32 96.843 11.166 -3.730 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.421 11.447 -5.634 1.00 0.00 C ATOM 1070 CD1 ILE C 32 96.154 12.522 -3.938 1.00 0.00 C ATOM 0 H ILE C 32 95.161 9.717 -4.337 1.00 0.00 H new ATOM 0 HA ILE C 32 95.823 11.527 -6.312 1.00 0.00 H new ATOM 0 HB ILE C 32 97.691 9.566 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE C 32 96.155 10.475 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.699 11.287 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE C 32 99.256 11.470 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE C 32 98.757 11.035 -6.585 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.049 12.460 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE C 32 95.835 12.920 -2.975 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.852 13.217 -4.404 1.00 0.00 H new ATOM 0 HD13 ILE C 32 95.285 12.393 -4.583 1.00 0.00 H new ATOM 1082 N ILE C 33 96.540 8.468 -7.242 1.00 0.00 N ATOM 1083 CA ILE C 33 96.853 7.685 -8.434 1.00 0.00 C ATOM 1084 C ILE C 33 95.704 7.787 -9.442 1.00 0.00 C ATOM 1085 O ILE C 33 95.920 7.899 -10.645 1.00 0.00 O ATOM 1086 CB ILE C 33 97.071 6.218 -8.052 1.00 0.00 C ATOM 1087 CG1 ILE C 33 98.165 6.122 -6.986 1.00 0.00 C ATOM 1088 CG2 ILE C 33 97.495 5.427 -9.290 1.00 0.00 C ATOM 1089 CD1 ILE C 33 98.199 4.701 -6.415 1.00 0.00 C ATOM 0 H ILE C 33 96.386 7.921 -6.395 1.00 0.00 H new ATOM 0 HA ILE C 33 97.764 8.078 -8.886 1.00 0.00 H new ATOM 0 HB ILE C 33 96.143 5.805 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE C 33 99.133 6.374 -7.419 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.975 6.841 -6.189 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.650 4.383 -9.019 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.715 5.493 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE C 33 98.422 5.841 -9.686 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.978 4.632 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.234 4.466 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.409 3.992 -7.216 1.00 0.00 H new ATOM 1101 N GLY C 34 94.505 7.695 -8.941 1.00 0.00 N ATOM 1102 CA GLY C 34 93.316 7.724 -9.790 1.00 0.00 C ATOM 1103 C GLY C 34 93.352 8.862 -10.818 1.00 0.00 C ATOM 1104 O GLY C 34 93.033 8.650 -11.985 1.00 0.00 O ATOM 0 H GLY C 34 94.310 7.598 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY C 34 93.223 6.771 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY C 34 92.430 7.833 -9.164 1.00 0.00 H new ATOM 1108 N ILE C 35 93.725 10.041 -10.407 1.00 0.00 N ATOM 1109 CA ILE C 35 93.771 11.166 -11.345 1.00 0.00 C ATOM 1110 C ILE C 35 94.912 11.006 -12.352 1.00 0.00 C ATOM 1111 O ILE C 35 94.826 11.493 -13.479 1.00 0.00 O ATOM 1112 CB ILE C 35 93.923 12.488 -10.590 1.00 0.00 C ATOM 1113 CG1 ILE C 35 95.107 12.397 -9.626 1.00 0.00 C ATOM 1114 CG2 ILE C 35 92.645 12.772 -9.799 1.00 0.00 C ATOM 1115 CD1 ILE C 35 95.459 13.799 -9.125 1.00 0.00 C ATOM 0 H ILE C 35 94.000 10.263 -9.450 1.00 0.00 H new ATOM 0 HA ILE C 35 92.830 11.175 -11.895 1.00 0.00 H new ATOM 0 HB ILE C 35 94.098 13.293 -11.304 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.857 11.750 -8.785 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.966 11.951 -10.128 1.00 0.00 H new ATOM 0 HG21 ILE C 35 92.752 13.714 -9.261 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.800 12.840 -10.485 1.00 0.00 H new ATOM 0 HG23 ILE C 35 92.471 11.965 -9.087 1.00 0.00 H new ATOM 0 HD11 ILE C 35 96.303 13.739 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE C 35 95.726 14.432 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE C 35 94.600 14.227 -8.608 1.00 0.00 H new ATOM 1127 N LEU C 36 95.958 10.346 -11.943 1.00 0.00 N ATOM 1128 CA LEU C 36 97.117 10.141 -12.814 1.00 0.00 C ATOM 1129 C LEU C 36 96.747 9.346 -14.069 1.00 0.00 C ATOM 1130 O LEU C 36 97.354 9.530 -15.124 1.00 0.00 O ATOM 1131 CB LEU C 36 98.209 9.387 -12.039 1.00 0.00 C ATOM 1132 CG LEU C 36 99.501 9.281 -12.871 1.00 0.00 C ATOM 1133 CD1 LEU C 36 100.207 10.646 -12.949 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.431 8.255 -12.210 1.00 0.00 C ATOM 0 H LEU C 36 96.047 9.934 -11.014 1.00 0.00 H new ATOM 0 HA LEU C 36 97.480 11.120 -13.128 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.417 9.903 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.855 8.389 -11.782 1.00 0.00 H new ATOM 0 HG LEU C 36 99.252 8.965 -13.884 1.00 0.00 H new ATOM 0 HD11 LEU C 36 101.118 10.551 -13.541 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.543 11.373 -13.418 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.461 10.982 -11.944 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.350 8.170 -12.790 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.669 8.580 -11.197 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.935 7.285 -12.173 1.00 0.00 H new ATOM 1146 N HIS C 37 95.789 8.466 -13.956 1.00 0.00 N ATOM 1147 CA HIS C 37 95.391 7.651 -15.104 1.00 0.00 C ATOM 1148 C HIS C 37 94.637 8.461 -16.158 1.00 0.00 C ATOM 1149 O HIS C 37 94.701 8.148 -17.346 1.00 0.00 O ATOM 1150 CB HIS C 37 94.559 6.438 -14.646 1.00 0.00 C ATOM 1151 CG HIS C 37 93.145 6.831 -14.287 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.368 7.661 -15.080 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.348 6.480 -13.224 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.165 7.780 -14.488 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.100 7.080 -13.355 1.00 0.00 N ATOM 0 H HIS C 37 95.267 8.286 -13.098 1.00 0.00 H new ATOM 0 HA HIS C 37 96.306 7.291 -15.575 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.538 5.691 -15.439 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.037 5.974 -13.784 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.646 5.836 -12.410 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.351 8.371 -14.883 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.305 7.001 -12.720 1.00 0.00 H new ATOM 1164 N PHE C 38 93.916 9.466 -15.735 1.00 0.00 N ATOM 1165 CA PHE C 38 93.141 10.276 -16.674 1.00 0.00 C ATOM 1166 C PHE C 38 94.037 11.002 -17.677 1.00 0.00 C ATOM 1167 O PHE C 38 93.793 10.949 -18.882 1.00 0.00 O ATOM 1168 CB PHE C 38 92.290 11.303 -15.923 1.00 0.00 C ATOM 1169 CG PHE C 38 91.434 12.056 -16.918 1.00 0.00 C ATOM 1170 CD1 PHE C 38 91.949 13.185 -17.567 1.00 0.00 C ATOM 1171 CD2 PHE C 38 90.131 11.620 -17.202 1.00 0.00 C ATOM 1172 CE1 PHE C 38 91.164 13.880 -18.494 1.00 0.00 C ATOM 1173 CE2 PHE C 38 89.348 12.317 -18.131 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.865 13.446 -18.777 1.00 0.00 C ATOM 0 H PHE C 38 93.841 9.752 -14.759 1.00 0.00 H new ATOM 0 HA PHE C 38 92.494 9.592 -17.224 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.660 10.804 -15.187 1.00 0.00 H new ATOM 0 HB3 PHE C 38 92.931 11.996 -15.377 1.00 0.00 H new ATOM 0 HD1 PHE C 38 92.953 13.520 -17.352 1.00 0.00 H new ATOM 0 HD2 PHE C 38 89.732 10.748 -16.705 1.00 0.00 H new ATOM 0 HE1 PHE C 38 91.562 14.752 -18.991 1.00 0.00 H new ATOM 0 HE2 PHE C 38 88.344 11.983 -18.349 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.261 13.982 -19.494 1.00 0.00 H new ATOM 1184 N ILE C 39 95.045 11.676 -17.190 1.00 0.00 N ATOM 1185 CA ILE C 39 95.944 12.415 -18.073 1.00 0.00 C ATOM 1186 C ILE C 39 96.686 11.467 -19.007 1.00 0.00 C ATOM 1187 O ILE C 39 97.046 11.838 -20.118 1.00 0.00 O ATOM 1188 CB ILE C 39 96.951 13.236 -17.253 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.934 13.968 -18.188 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.739 12.300 -16.336 1.00 0.00 C ATOM 1191 CD1 ILE C 39 97.170 14.815 -19.214 1.00 0.00 C ATOM 0 H ILE C 39 95.273 11.736 -16.198 1.00 0.00 H new ATOM 0 HA ILE C 39 95.341 13.095 -18.674 1.00 0.00 H new ATOM 0 HB ILE C 39 96.406 13.971 -16.661 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.596 14.606 -17.602 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.564 13.243 -18.703 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.455 12.880 -15.753 1.00 0.00 H new ATOM 0 HG22 ILE C 39 97.052 11.787 -15.662 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.273 11.565 -16.938 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.880 15.325 -19.866 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.527 14.169 -19.812 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.560 15.554 -18.694 1.00 0.00 H new ATOM 1203 N ALA C 40 96.911 10.268 -18.560 1.00 0.00 N ATOM 1204 CA ALA C 40 97.600 9.289 -19.389 1.00 0.00 C ATOM 1205 C ALA C 40 96.686 8.813 -20.519 1.00 0.00 C ATOM 1206 O ALA C 40 97.145 8.496 -21.613 1.00 0.00 O ATOM 1207 CB ALA C 40 98.037 8.095 -18.538 1.00 0.00 C ATOM 0 H ALA C 40 96.636 9.933 -17.637 1.00 0.00 H new ATOM 0 HA ALA C 40 98.482 9.760 -19.823 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.551 7.369 -19.167 1.00 0.00 H new ATOM 0 HB2 ALA C 40 98.711 8.436 -17.752 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.161 7.629 -18.088 1.00 0.00 H new ATOM 1213 N TRP C 41 95.414 8.733 -20.220 1.00 0.00 N ATOM 1214 CA TRP C 41 94.406 8.252 -21.161 1.00 0.00 C ATOM 1215 C TRP C 41 94.512 8.922 -22.528 1.00 0.00 C ATOM 1216 O TRP C 41 94.545 8.245 -23.556 1.00 0.00 O ATOM 1217 CB TRP C 41 93.033 8.539 -20.557 1.00 0.00 C ATOM 1218 CG TRP C 41 91.968 7.834 -21.324 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.604 8.113 -22.594 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.113 6.744 -20.879 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.579 7.256 -22.963 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.243 6.393 -21.936 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.013 6.031 -19.668 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.305 5.368 -21.798 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.070 5.002 -19.526 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.218 4.671 -20.588 1.00 0.00 C ATOM 0 H TRP C 41 95.035 9.000 -19.311 1.00 0.00 H new ATOM 0 HA TRP C 41 94.561 7.185 -21.322 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.013 8.218 -19.516 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.844 9.612 -20.563 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.040 8.878 -23.219 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.129 7.261 -23.878 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.666 6.278 -18.844 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.651 5.115 -22.620 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.000 4.462 -18.593 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.494 3.878 -20.473 1.00 0.00 H new ATOM 1237 N THR C 42 94.553 10.218 -22.540 1.00 0.00 N ATOM 1238 CA THR C 42 94.641 10.956 -23.795 1.00 0.00 C ATOM 1239 C THR C 42 95.751 10.403 -24.692 1.00 0.00 C ATOM 1240 O THR C 42 95.689 10.546 -25.914 1.00 0.00 O ATOM 1241 CB THR C 42 94.892 12.443 -23.527 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.541 13.023 -24.651 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.778 12.591 -22.298 1.00 0.00 C ATOM 0 H THR C 42 94.528 10.801 -21.703 1.00 0.00 H new ATOM 0 HA THR C 42 93.689 10.837 -24.311 1.00 0.00 H new ATOM 0 HB THR C 42 93.942 12.949 -23.355 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.701 13.975 -24.481 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.958 13.648 -22.105 1.00 0.00 H new ATOM 0 HG22 THR C 42 95.282 12.144 -21.436 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.729 12.087 -22.472 1.00 0.00 H new ATOM 1251 N ILE C 43 96.755 9.800 -24.104 1.00 0.00 N ATOM 1252 CA ILE C 43 97.873 9.256 -24.877 1.00 0.00 C ATOM 1253 C ILE C 43 97.433 8.052 -25.732 1.00 0.00 C ATOM 1254 O ILE C 43 97.916 7.871 -26.847 1.00 0.00 O ATOM 1255 CB ILE C 43 99.019 8.877 -23.895 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.391 9.151 -24.530 1.00 0.00 C ATOM 1257 CG2 ILE C 43 98.949 7.396 -23.487 1.00 0.00 C ATOM 1258 CD1 ILE C 43 101.492 8.867 -23.500 1.00 0.00 C ATOM 0 H ILE C 43 96.832 9.668 -23.096 1.00 0.00 H new ATOM 0 HA ILE C 43 98.234 10.011 -25.575 1.00 0.00 H new ATOM 0 HB ILE C 43 98.892 9.495 -23.006 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.529 8.523 -25.410 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.449 10.186 -24.865 1.00 0.00 H new ATOM 0 HG21 ILE C 43 99.765 7.169 -22.801 1.00 0.00 H new ATOM 0 HG22 ILE C 43 97.996 7.199 -22.996 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.036 6.770 -24.375 1.00 0.00 H new ATOM 0 HD11 ILE C 43 102.467 9.060 -23.947 1.00 0.00 H new ATOM 0 HD12 ILE C 43 101.355 9.514 -22.634 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.437 7.824 -23.187 1.00 0.00 H new ATOM 1270 N GLY C 44 96.532 7.254 -25.209 1.00 0.00 N ATOM 1271 CA GLY C 44 96.029 6.075 -25.933 1.00 0.00 C ATOM 1272 C GLY C 44 95.146 6.491 -27.109 1.00 0.00 C ATOM 1273 O GLY C 44 95.048 5.787 -28.115 1.00 0.00 O ATOM 0 H GLY C 44 96.122 7.387 -24.284 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.868 5.481 -26.296 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.460 5.441 -25.253 1.00 0.00 H new ATOM 1277 N HIS C 45 94.518 7.618 -26.960 1.00 0.00 N ATOM 1278 CA HIS C 45 93.635 8.150 -27.991 1.00 0.00 C ATOM 1279 C HIS C 45 94.359 8.289 -29.334 1.00 0.00 C ATOM 1280 O HIS C 45 93.728 8.274 -30.388 1.00 0.00 O ATOM 1281 CB HIS C 45 93.087 9.512 -27.568 1.00 0.00 C ATOM 1282 CG HIS C 45 92.068 9.962 -28.582 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.407 10.757 -29.665 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.722 9.708 -28.711 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.292 10.950 -30.394 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.237 10.332 -29.857 1.00 0.00 N ATOM 0 H HIS C 45 94.593 8.204 -26.129 1.00 0.00 H new ATOM 0 HA HIS C 45 92.813 7.445 -28.114 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.632 9.445 -26.580 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.896 10.239 -27.498 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.132 9.115 -28.028 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.255 11.533 -31.302 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.280 10.320 -30.211 1.00 0.00 H new ATOM 1295 N LEU C 46 95.651 8.487 -29.291 1.00 0.00 N ATOM 1296 CA LEU C 46 96.418 8.705 -30.522 1.00 0.00 C ATOM 1297 C LEU C 46 96.032 7.717 -31.623 1.00 0.00 C ATOM 1298 O LEU C 46 95.981 8.097 -32.794 1.00 0.00 O ATOM 1299 CB LEU C 46 97.952 8.721 -30.240 1.00 0.00 C ATOM 1300 CG LEU C 46 98.639 7.321 -30.139 1.00 0.00 C ATOM 1301 CD1 LEU C 46 97.835 6.306 -29.303 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.950 6.736 -31.533 1.00 0.00 C ATOM 0 H LEU C 46 96.203 8.505 -28.434 1.00 0.00 H new ATOM 0 HA LEU C 46 96.156 9.693 -30.900 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.442 9.289 -31.031 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.125 9.258 -29.307 1.00 0.00 H new ATOM 0 HG LEU C 46 99.578 7.496 -29.613 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.368 5.356 -29.273 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.713 6.685 -28.288 1.00 0.00 H new ATOM 0 HD13 LEU C 46 96.854 6.158 -29.755 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.427 5.762 -31.421 1.00 0.00 H new ATOM 0 HD22 LEU C 46 98.023 6.623 -32.095 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.620 7.409 -32.069 1.00 0.00 H new ATOM 1314 N ASN C 47 95.739 6.498 -31.284 1.00 0.00 N ATOM 1315 CA ASN C 47 95.338 5.539 -32.313 1.00 0.00 C ATOM 1316 C ASN C 47 94.026 5.992 -32.975 1.00 0.00 C ATOM 1317 O ASN C 47 93.928 6.063 -34.200 1.00 0.00 O ATOM 1318 CB ASN C 47 95.143 4.149 -31.690 1.00 0.00 C ATOM 1319 CG ASN C 47 96.494 3.526 -31.347 1.00 0.00 C ATOM 1320 OD1 ASN C 47 96.727 3.141 -30.201 1.00 0.00 O ATOM 1321 ND2 ASN C 47 97.405 3.398 -32.276 1.00 0.00 N ATOM 0 H ASN C 47 95.763 6.133 -30.332 1.00 0.00 H new ATOM 0 HA ASN C 47 96.123 5.489 -33.068 1.00 0.00 H new ATOM 0 HB2 ASN C 47 94.533 4.229 -30.790 1.00 0.00 H new ATOM 0 HB3 ASN C 47 94.604 3.505 -32.384 1.00 0.00 H new ATOM 0 HD21 ASN C 47 98.308 2.980 -32.051 1.00 0.00 H new ATOM 0 HD22 ASN C 47 97.213 3.717 -33.226 1.00 0.00 H new ATOM 1328 N GLN C 48 93.043 6.283 -32.156 1.00 0.00 N ATOM 1329 CA GLN C 48 91.727 6.723 -32.628 1.00 0.00 C ATOM 1330 C GLN C 48 91.822 7.715 -33.788 1.00 0.00 C ATOM 1331 O GLN C 48 91.248 7.486 -34.852 1.00 0.00 O ATOM 1332 CB GLN C 48 90.958 7.372 -31.464 1.00 0.00 C ATOM 1333 CG GLN C 48 89.564 7.830 -31.923 1.00 0.00 C ATOM 1334 CD GLN C 48 88.750 6.642 -32.426 1.00 0.00 C ATOM 1335 OE1 GLN C 48 88.292 5.823 -31.631 1.00 0.00 O ATOM 1336 NE2 GLN C 48 88.540 6.502 -33.707 1.00 0.00 N ATOM 0 H GLN C 48 93.121 6.225 -31.141 1.00 0.00 H new ATOM 0 HA GLN C 48 91.200 5.842 -32.994 1.00 0.00 H new ATOM 0 HB2 GLN C 48 90.861 6.660 -30.644 1.00 0.00 H new ATOM 0 HB3 GLN C 48 91.519 8.225 -31.081 1.00 0.00 H new ATOM 0 HG2 GLN C 48 89.042 8.312 -31.096 1.00 0.00 H new ATOM 0 HG3 GLN C 48 89.661 8.573 -32.715 1.00 0.00 H new ATOM 0 HE21 GLN C 48 88.921 7.183 -34.364 1.00 0.00 H new ATOM 0 HE22 GLN C 48 87.995 5.712 -34.051 1.00 0.00 H new ATOM 1345 N ILE C 49 92.505 8.806 -33.578 1.00 0.00 N ATOM 1346 CA ILE C 49 92.620 9.824 -34.621 1.00 0.00 C ATOM 1347 C ILE C 49 93.214 9.237 -35.900 1.00 0.00 C ATOM 1348 O ILE C 49 92.871 9.669 -37.001 1.00 0.00 O ATOM 1349 CB ILE C 49 93.472 10.998 -34.127 1.00 0.00 C ATOM 1350 CG1 ILE C 49 93.735 11.970 -35.283 1.00 0.00 C ATOM 1351 CG2 ILE C 49 94.802 10.478 -33.586 1.00 0.00 C ATOM 1352 CD1 ILE C 49 94.296 13.284 -34.734 1.00 0.00 C ATOM 0 H ILE C 49 92.991 9.025 -32.708 1.00 0.00 H new ATOM 0 HA ILE C 49 91.618 10.188 -34.850 1.00 0.00 H new ATOM 0 HB ILE C 49 92.937 11.518 -33.332 1.00 0.00 H new ATOM 0 HG12 ILE C 49 94.439 11.529 -35.989 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.811 12.158 -35.830 1.00 0.00 H new ATOM 0 HG21 ILE C 49 95.405 11.316 -33.236 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.616 9.794 -32.758 1.00 0.00 H new ATOM 0 HG23 ILE C 49 95.336 9.952 -34.378 1.00 0.00 H new ATOM 0 HD11 ILE C 49 94.482 13.973 -35.558 1.00 0.00 H new ATOM 0 HD12 ILE C 49 93.576 13.727 -34.046 1.00 0.00 H new ATOM 0 HD13 ILE C 49 95.230 13.089 -34.207 1.00 0.00 H new ATOM 1364 N LYS C 50 94.084 8.274 -35.758 1.00 0.00 N ATOM 1365 CA LYS C 50 94.714 7.645 -36.921 1.00 0.00 C ATOM 1366 C LYS C 50 93.862 6.484 -37.426 1.00 0.00 C ATOM 1367 O LYS C 50 93.928 5.376 -36.893 1.00 0.00 O ATOM 1368 CB LYS C 50 96.111 7.132 -36.543 1.00 0.00 C ATOM 1369 CG LYS C 50 96.893 6.733 -37.811 1.00 0.00 C ATOM 1370 CD LYS C 50 97.603 7.954 -38.409 1.00 0.00 C ATOM 1371 CE LYS C 50 98.459 7.512 -39.599 1.00 0.00 C ATOM 1372 NZ LYS C 50 99.269 8.666 -40.085 1.00 0.00 N ATOM 0 H LYS C 50 94.382 7.898 -34.858 1.00 0.00 H new ATOM 0 HA LYS C 50 94.802 8.388 -37.713 1.00 0.00 H new ATOM 0 HB2 LYS C 50 96.655 7.904 -35.999 1.00 0.00 H new ATOM 0 HB3 LYS C 50 96.023 6.274 -35.876 1.00 0.00 H new ATOM 0 HG2 LYS C 50 97.624 5.963 -37.567 1.00 0.00 H new ATOM 0 HG3 LYS C 50 96.212 6.305 -38.546 1.00 0.00 H new ATOM 0 HD2 LYS C 50 96.870 8.694 -38.729 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.228 8.431 -37.654 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.114 6.692 -39.305 1.00 0.00 H new ATOM 0 HE3 LYS C 50 97.822 7.138 -40.400 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 98.957 8.931 -41.041 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 99.142 9.474 -39.443 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 100.274 8.398 -40.111 1.00 0.00 H new ATOM 1386 N ARG C 51 93.078 6.743 -38.437 1.00 0.00 N ATOM 1387 CA ARG C 51 92.218 5.711 -39.004 1.00 0.00 C ATOM 1388 C ARG C 51 91.660 6.157 -40.353 1.00 0.00 C ATOM 1389 O ARG C 51 91.248 7.305 -40.516 1.00 0.00 O ATOM 1390 CB ARG C 51 91.066 5.408 -38.034 1.00 0.00 C ATOM 1391 CG ARG C 51 90.190 4.246 -38.571 1.00 0.00 C ATOM 1392 CD ARG C 51 88.912 4.793 -39.223 1.00 0.00 C ATOM 1393 NE ARG C 51 87.973 5.237 -38.199 1.00 0.00 N ATOM 1394 CZ ARG C 51 86.763 5.616 -38.510 1.00 0.00 C ATOM 1395 NH1 ARG C 51 86.376 5.605 -39.757 1.00 0.00 N ATOM 1396 NH2 ARG C 51 85.940 6.007 -37.576 1.00 0.00 N ATOM 0 H ARG C 51 93.009 7.653 -38.892 1.00 0.00 H new ATOM 0 HA ARG C 51 92.809 4.808 -39.158 1.00 0.00 H new ATOM 0 HB2 ARG C 51 91.467 5.145 -37.055 1.00 0.00 H new ATOM 0 HB3 ARG C 51 90.454 6.299 -37.899 1.00 0.00 H new ATOM 0 HG2 ARG C 51 90.755 3.663 -39.298 1.00 0.00 H new ATOM 0 HG3 ARG C 51 89.929 3.572 -37.755 1.00 0.00 H new ATOM 0 HD2 ARG C 51 89.159 5.623 -39.884 1.00 0.00 H new ATOM 0 HD3 ARG C 51 88.451 4.021 -39.839 1.00 0.00 H new ATOM 0 HE ARG C 51 88.267 5.252 -37.222 1.00 0.00 H new ATOM 0 HH11 ARG C 51 87.019 5.300 -40.488 1.00 0.00 H new ATOM 0 HH12 ARG C 51 85.431 5.901 -40.000 1.00 0.00 H new ATOM 0 HH21 ARG C 51 86.242 6.017 -36.602 1.00 0.00 H new ATOM 0 HH22 ARG C 51 84.995 6.303 -37.820 1.00 0.00 H new ATOM 1410 N GLY C 52 91.652 5.257 -41.300 1.00 0.00 N ATOM 1411 CA GLY C 52 91.142 5.565 -42.632 1.00 0.00 C ATOM 1412 C GLY C 52 91.815 6.809 -43.200 1.00 0.00 C ATOM 0 H GLY C 52 91.990 4.302 -41.185 1.00 0.00 H new ATOM 0 HA2 GLY C 52 91.315 4.718 -43.296 1.00 0.00 H new ATOM 0 HA3 GLY C 52 90.064 5.719 -42.586 1.00 0.00 H new TER 1416 GLY C 52 ATOM 1417 N SER D 23 85.476 -3.265 10.806 1.00 0.00 N ATOM 1418 CA SER D 23 85.872 -2.328 9.717 1.00 0.00 C ATOM 1419 C SER D 23 87.006 -2.946 8.907 1.00 0.00 C ATOM 1420 O SER D 23 88.165 -2.912 9.320 1.00 0.00 O ATOM 1421 CB SER D 23 86.330 -1.004 10.331 1.00 0.00 C ATOM 1422 OG SER D 23 86.432 -0.023 9.307 1.00 0.00 O ATOM 0 HA SER D 23 85.022 -2.144 9.060 1.00 0.00 H new ATOM 0 HB2 SER D 23 85.622 -0.679 11.093 1.00 0.00 H new ATOM 0 HB3 SER D 23 87.293 -1.133 10.825 1.00 0.00 H new ATOM 0 HG SER D 23 86.724 0.828 9.697 1.00 0.00 H new ATOM 1427 N ASP D 24 86.670 -3.503 7.772 1.00 0.00 N ATOM 1428 CA ASP D 24 87.664 -4.132 6.909 1.00 0.00 C ATOM 1429 C ASP D 24 88.290 -3.082 5.982 1.00 0.00 C ATOM 1430 O ASP D 24 87.562 -2.277 5.417 1.00 0.00 O ATOM 1431 CB ASP D 24 86.989 -5.213 6.059 1.00 0.00 C ATOM 1432 CG ASP D 24 88.001 -5.830 5.099 1.00 0.00 C ATOM 1433 OD1 ASP D 24 88.469 -5.120 4.225 1.00 0.00 O ATOM 1434 OD2 ASP D 24 88.292 -7.005 5.251 1.00 0.00 O ATOM 0 H ASP D 24 85.716 -3.539 7.414 1.00 0.00 H new ATOM 0 HA ASP D 24 88.442 -4.579 7.528 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.570 -5.985 6.704 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.160 -4.781 5.498 1.00 0.00 H new ATOM 1439 N PRO D 25 89.597 -3.061 5.804 1.00 0.00 N ATOM 1440 CA PRO D 25 90.265 -2.067 4.898 1.00 0.00 C ATOM 1441 C PRO D 25 89.546 -1.896 3.548 1.00 0.00 C ATOM 1442 O PRO D 25 90.011 -2.393 2.522 1.00 0.00 O ATOM 1443 CB PRO D 25 91.667 -2.659 4.700 1.00 0.00 C ATOM 1444 CG PRO D 25 91.946 -3.424 5.952 1.00 0.00 C ATOM 1445 CD PRO D 25 90.593 -3.956 6.440 1.00 0.00 C ATOM 0 HA PRO D 25 90.263 -1.066 5.329 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.701 -3.308 3.825 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.408 -1.875 4.544 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.640 -4.243 5.761 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.407 -2.784 6.704 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.443 -4.994 6.142 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.521 -3.923 7.527 1.00 0.00 H new ATOM 1453 N LEU D 26 88.440 -1.198 3.550 1.00 0.00 N ATOM 1454 CA LEU D 26 87.687 -0.960 2.319 1.00 0.00 C ATOM 1455 C LEU D 26 88.446 0.017 1.410 1.00 0.00 C ATOM 1456 O LEU D 26 88.540 -0.191 0.203 1.00 0.00 O ATOM 1457 CB LEU D 26 86.292 -0.388 2.678 1.00 0.00 C ATOM 1458 CG LEU D 26 85.204 -1.467 2.579 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.437 -2.547 3.638 1.00 0.00 C ATOM 1460 CD2 LEU D 26 83.835 -0.820 2.817 1.00 0.00 C ATOM 0 H LEU D 26 88.030 -0.779 4.385 1.00 0.00 H new ATOM 0 HA LEU D 26 87.565 -1.901 1.782 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.313 0.019 3.689 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.051 0.437 2.007 1.00 0.00 H new ATOM 0 HG LEU D 26 85.239 -1.922 1.589 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.660 -3.307 3.559 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.412 -3.007 3.480 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.405 -2.097 4.630 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.057 -1.580 2.748 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.814 -0.367 3.808 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.660 -0.052 2.064 1.00 0.00 H new ATOM 1472 N VAL D 27 88.946 1.075 1.991 1.00 0.00 N ATOM 1473 CA VAL D 27 89.668 2.098 1.233 1.00 0.00 C ATOM 1474 C VAL D 27 90.841 1.514 0.458 1.00 0.00 C ATOM 1475 O VAL D 27 91.005 1.796 -0.728 1.00 0.00 O ATOM 1476 CB VAL D 27 90.189 3.170 2.192 1.00 0.00 C ATOM 1477 CG1 VAL D 27 90.842 4.304 1.398 1.00 0.00 C ATOM 1478 CG2 VAL D 27 89.031 3.729 3.019 1.00 0.00 C ATOM 0 H VAL D 27 88.873 1.264 2.991 1.00 0.00 H new ATOM 0 HA VAL D 27 88.970 2.529 0.515 1.00 0.00 H new ATOM 0 HB VAL D 27 90.928 2.723 2.857 1.00 0.00 H new ATOM 0 HG11 VAL D 27 91.211 5.064 2.086 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.673 3.908 0.815 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.107 4.748 0.727 1.00 0.00 H new ATOM 0 HG21 VAL D 27 89.406 4.492 3.701 1.00 0.00 H new ATOM 0 HG22 VAL D 27 88.288 4.170 2.354 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.572 2.924 3.593 1.00 0.00 H new ATOM 1488 N VAL D 28 91.641 0.720 1.107 1.00 0.00 N ATOM 1489 CA VAL D 28 92.795 0.108 0.464 1.00 0.00 C ATOM 1490 C VAL D 28 92.366 -0.976 -0.531 1.00 0.00 C ATOM 1491 O VAL D 28 93.107 -1.308 -1.452 1.00 0.00 O ATOM 1492 CB VAL D 28 93.744 -0.467 1.544 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.344 -1.900 1.915 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.191 -0.456 1.032 1.00 0.00 C ATOM 0 H VAL D 28 91.524 0.472 2.089 1.00 0.00 H new ATOM 0 HA VAL D 28 93.328 0.871 -0.104 1.00 0.00 H new ATOM 0 HB VAL D 28 93.666 0.159 2.433 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.025 -2.283 2.675 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.326 -1.904 2.305 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.396 -2.533 1.029 1.00 0.00 H new ATOM 0 HG21 VAL D 28 95.851 -0.862 1.798 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.263 -1.065 0.131 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.488 0.567 0.803 1.00 0.00 H new ATOM 1504 N ALA D 29 91.195 -1.521 -0.323 1.00 0.00 N ATOM 1505 CA ALA D 29 90.684 -2.584 -1.188 1.00 0.00 C ATOM 1506 C ALA D 29 90.509 -2.123 -2.637 1.00 0.00 C ATOM 1507 O ALA D 29 90.894 -2.837 -3.559 1.00 0.00 O ATOM 1508 CB ALA D 29 89.346 -3.099 -0.655 1.00 0.00 C ATOM 0 H ALA D 29 90.567 -1.254 0.436 1.00 0.00 H new ATOM 0 HA ALA D 29 91.424 -3.384 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA D 29 88.975 -3.890 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA D 29 89.483 -3.493 0.352 1.00 0.00 H new ATOM 0 HB3 ALA D 29 88.625 -2.282 -0.630 1.00 0.00 H new ATOM 1514 N ALA D 30 89.941 -0.963 -2.842 1.00 0.00 N ATOM 1515 CA ALA D 30 89.755 -0.490 -4.206 1.00 0.00 C ATOM 1516 C ALA D 30 91.109 -0.117 -4.817 1.00 0.00 C ATOM 1517 O ALA D 30 91.484 -0.606 -5.883 1.00 0.00 O ATOM 1518 CB ALA D 30 88.854 0.725 -4.174 1.00 0.00 C ATOM 0 H ALA D 30 89.604 -0.337 -2.110 1.00 0.00 H new ATOM 0 HA ALA D 30 89.303 -1.274 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA D 30 88.704 1.093 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA D 30 87.892 0.453 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.317 1.505 -3.570 1.00 0.00 H new ATOM 1524 N SER D 31 91.814 0.734 -4.129 1.00 0.00 N ATOM 1525 CA SER D 31 93.133 1.201 -4.562 1.00 0.00 C ATOM 1526 C SER D 31 94.101 0.045 -4.839 1.00 0.00 C ATOM 1527 O SER D 31 95.054 0.190 -5.608 1.00 0.00 O ATOM 1528 CB SER D 31 93.714 2.096 -3.477 1.00 0.00 C ATOM 1529 OG SER D 31 94.935 2.663 -3.931 1.00 0.00 O ATOM 0 H SER D 31 91.503 1.136 -3.244 1.00 0.00 H new ATOM 0 HA SER D 31 93.006 1.748 -5.496 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.006 2.886 -3.225 1.00 0.00 H new ATOM 0 HB3 SER D 31 93.885 1.519 -2.568 1.00 0.00 H new ATOM 0 HG SER D 31 95.307 3.240 -3.232 1.00 0.00 H new ATOM 1535 N ILE D 32 93.871 -1.062 -4.196 1.00 0.00 N ATOM 1536 CA ILE D 32 94.753 -2.223 -4.357 1.00 0.00 C ATOM 1537 C ILE D 32 95.011 -2.503 -5.846 1.00 0.00 C ATOM 1538 O ILE D 32 96.151 -2.699 -6.258 1.00 0.00 O ATOM 1539 CB ILE D 32 94.148 -3.462 -3.643 1.00 0.00 C ATOM 1540 CG1 ILE D 32 95.266 -4.388 -3.131 1.00 0.00 C ATOM 1541 CG2 ILE D 32 93.228 -4.255 -4.580 1.00 0.00 C ATOM 1542 CD1 ILE D 32 96.232 -4.738 -4.267 1.00 0.00 C ATOM 0 H ILE D 32 93.090 -1.204 -3.555 1.00 0.00 H new ATOM 0 HA ILE D 32 95.713 -2.003 -3.891 1.00 0.00 H new ATOM 0 HB ILE D 32 93.559 -3.097 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE D 32 95.809 -3.900 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE D 32 94.832 -5.300 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE D 32 92.822 -5.115 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE D 32 92.411 -3.616 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE D 32 93.797 -4.598 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE D 32 97.017 -5.393 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE D 32 95.688 -5.246 -5.064 1.00 0.00 H new ATOM 0 HD13 ILE D 32 96.680 -3.824 -4.658 1.00 0.00 H new ATOM 1554 N ILE D 33 93.973 -2.538 -6.630 1.00 0.00 N ATOM 1555 CA ILE D 33 94.125 -2.814 -8.057 1.00 0.00 C ATOM 1556 C ILE D 33 94.967 -1.737 -8.753 1.00 0.00 C ATOM 1557 O ILE D 33 95.666 -2.029 -9.725 1.00 0.00 O ATOM 1558 CB ILE D 33 92.739 -2.925 -8.716 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.086 -4.244 -8.283 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.873 -2.906 -10.244 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.615 -4.258 -8.698 1.00 0.00 C ATOM 0 H ILE D 33 93.013 -2.382 -6.323 1.00 0.00 H new ATOM 0 HA ILE D 33 94.653 -3.762 -8.166 1.00 0.00 H new ATOM 0 HB ILE D 33 92.126 -2.080 -8.405 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.609 -5.085 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.169 -4.363 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE D 33 91.885 -2.985 -10.697 1.00 0.00 H new ATOM 0 HG22 ILE D 33 93.342 -1.973 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE D 33 93.488 -3.746 -10.566 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.158 -5.198 -8.387 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.095 -3.427 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.542 -4.160 -9.781 1.00 0.00 H new ATOM 1573 N GLY D 34 94.861 -0.514 -8.309 1.00 0.00 N ATOM 1574 CA GLY D 34 95.578 0.590 -8.948 1.00 0.00 C ATOM 1575 C GLY D 34 97.050 0.283 -9.226 1.00 0.00 C ATOM 1576 O GLY D 34 97.542 0.590 -10.309 1.00 0.00 O ATOM 0 H GLY D 34 94.289 -0.243 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY D 34 95.083 0.838 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.513 1.472 -8.311 1.00 0.00 H new ATOM 1580 N ILE D 35 97.755 -0.298 -8.294 1.00 0.00 N ATOM 1581 CA ILE D 35 99.166 -0.590 -8.548 1.00 0.00 C ATOM 1582 C ILE D 35 99.304 -1.577 -9.709 1.00 0.00 C ATOM 1583 O ILE D 35 100.235 -1.481 -10.509 1.00 0.00 O ATOM 1584 CB ILE D 35 99.860 -1.138 -7.293 1.00 0.00 C ATOM 1585 CG1 ILE D 35 98.993 -2.225 -6.639 1.00 0.00 C ATOM 1586 CG2 ILE D 35 100.089 0.007 -6.298 1.00 0.00 C ATOM 1587 CD1 ILE D 35 99.868 -3.131 -5.766 1.00 0.00 C ATOM 0 H ILE D 35 97.405 -0.576 -7.377 1.00 0.00 H new ATOM 0 HA ILE D 35 99.658 0.344 -8.818 1.00 0.00 H new ATOM 0 HB ILE D 35 100.817 -1.575 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.212 -1.765 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.494 -2.816 -7.407 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.582 -0.379 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.718 0.769 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE D 35 99.130 0.446 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.249 -3.900 -5.305 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.633 -3.603 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.346 -2.535 -4.988 1.00 0.00 H new ATOM 1599 N LEU D 36 98.378 -2.492 -9.806 1.00 0.00 N ATOM 1600 CA LEU D 36 98.389 -3.476 -10.890 1.00 0.00 C ATOM 1601 C LEU D 36 98.063 -2.786 -12.214 1.00 0.00 C ATOM 1602 O LEU D 36 98.763 -2.954 -13.214 1.00 0.00 O ATOM 1603 CB LEU D 36 97.334 -4.558 -10.601 1.00 0.00 C ATOM 1604 CG LEU D 36 97.405 -5.696 -11.645 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.503 -6.697 -11.261 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.050 -6.430 -11.703 1.00 0.00 C ATOM 0 H LEU D 36 97.600 -2.589 -9.154 1.00 0.00 H new ATOM 0 HA LEU D 36 99.376 -3.934 -10.957 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.491 -4.966 -9.602 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.339 -4.113 -10.611 1.00 0.00 H new ATOM 0 HG LEU D 36 97.635 -5.266 -12.620 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.544 -7.494 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.465 -6.186 -11.224 1.00 0.00 H new ATOM 0 HD13 LEU D 36 98.281 -7.123 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.102 -7.232 -12.439 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.822 -6.851 -10.724 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.267 -5.727 -11.987 1.00 0.00 H new ATOM 1618 N HIS D 37 96.998 -2.039 -12.198 1.00 0.00 N ATOM 1619 CA HIS D 37 96.544 -1.332 -13.391 1.00 0.00 C ATOM 1620 C HIS D 37 97.582 -0.295 -13.850 1.00 0.00 C ATOM 1621 O HIS D 37 97.687 -0.002 -15.040 1.00 0.00 O ATOM 1622 CB HIS D 37 95.152 -0.698 -13.117 1.00 0.00 C ATOM 1623 CG HIS D 37 95.230 0.798 -12.924 1.00 0.00 C ATOM 1624 ND1 HIS D 37 96.267 1.410 -12.241 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.391 1.811 -13.317 1.00 0.00 C ATOM 1626 CE1 HIS D 37 96.030 2.735 -12.245 1.00 0.00 C ATOM 1627 NE2 HIS D 37 94.900 3.033 -12.889 1.00 0.00 N ATOM 0 H HIS D 37 96.415 -1.894 -11.374 1.00 0.00 H new ATOM 0 HA HIS D 37 96.437 -2.039 -14.213 1.00 0.00 H new ATOM 0 HB2 HIS D 37 94.484 -0.920 -13.949 1.00 0.00 H new ATOM 0 HB3 HIS D 37 94.716 -1.154 -12.228 1.00 0.00 H new ATOM 0 HD1 HIS D 37 97.066 0.942 -11.813 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.475 1.679 -13.874 1.00 0.00 H new ATOM 0 HE1 HIS D 37 96.676 3.467 -11.783 1.00 0.00 H new ATOM 1636 N PHE D 38 98.328 0.243 -12.922 1.00 0.00 N ATOM 1637 CA PHE D 38 99.346 1.241 -13.255 1.00 0.00 C ATOM 1638 C PHE D 38 100.529 0.607 -13.998 1.00 0.00 C ATOM 1639 O PHE D 38 100.993 1.140 -15.005 1.00 0.00 O ATOM 1640 CB PHE D 38 99.842 1.937 -11.978 1.00 0.00 C ATOM 1641 CG PHE D 38 101.034 2.816 -12.297 1.00 0.00 C ATOM 1642 CD1 PHE D 38 102.321 2.263 -12.298 1.00 0.00 C ATOM 1643 CD2 PHE D 38 100.856 4.175 -12.595 1.00 0.00 C ATOM 1644 CE1 PHE D 38 103.429 3.067 -12.592 1.00 0.00 C ATOM 1645 CE2 PHE D 38 101.966 4.976 -12.891 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.251 4.422 -12.890 1.00 0.00 C ATOM 0 H PHE D 38 98.261 0.017 -11.929 1.00 0.00 H new ATOM 0 HA PHE D 38 98.888 1.978 -13.914 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.041 2.538 -11.547 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.118 1.192 -11.232 1.00 0.00 H new ATOM 0 HD1 PHE D 38 102.459 1.216 -12.072 1.00 0.00 H new ATOM 0 HD2 PHE D 38 99.864 4.603 -12.596 1.00 0.00 H new ATOM 0 HE1 PHE D 38 104.421 2.641 -12.589 1.00 0.00 H new ATOM 0 HE2 PHE D 38 101.830 6.023 -13.120 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.106 5.041 -13.119 1.00 0.00 H new ATOM 1656 N ILE D 39 101.022 -0.492 -13.494 1.00 0.00 N ATOM 1657 CA ILE D 39 102.165 -1.163 -14.110 1.00 0.00 C ATOM 1658 C ILE D 39 101.820 -1.692 -15.498 1.00 0.00 C ATOM 1659 O ILE D 39 102.631 -1.615 -16.421 1.00 0.00 O ATOM 1660 CB ILE D 39 102.626 -2.322 -13.221 1.00 0.00 C ATOM 1661 CG1 ILE D 39 103.142 -1.764 -11.894 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.749 -3.092 -13.919 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.349 -2.910 -10.904 1.00 0.00 C ATOM 0 H ILE D 39 100.659 -0.952 -12.659 1.00 0.00 H new ATOM 0 HA ILE D 39 102.967 -0.432 -14.214 1.00 0.00 H new ATOM 0 HB ILE D 39 101.788 -2.995 -13.037 1.00 0.00 H new ATOM 0 HG12 ILE D 39 104.080 -1.232 -12.052 1.00 0.00 H new ATOM 0 HG13 ILE D 39 102.431 -1.044 -11.489 1.00 0.00 H new ATOM 0 HG21 ILE D 39 104.075 -3.916 -13.284 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.384 -3.487 -14.867 1.00 0.00 H new ATOM 0 HG23 ILE D 39 104.589 -2.422 -14.104 1.00 0.00 H new ATOM 0 HD11 ILE D 39 103.717 -2.512 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.402 -3.423 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.076 -3.614 -11.309 1.00 0.00 H new ATOM 1675 N ALA D 40 100.640 -2.223 -15.637 1.00 0.00 N ATOM 1676 CA ALA D 40 100.206 -2.764 -16.914 1.00 0.00 C ATOM 1677 C ALA D 40 99.974 -1.648 -17.913 1.00 0.00 C ATOM 1678 O ALA D 40 100.059 -1.855 -19.109 1.00 0.00 O ATOM 1679 CB ALA D 40 98.917 -3.570 -16.734 1.00 0.00 C ATOM 0 H ALA D 40 99.953 -2.298 -14.887 1.00 0.00 H new ATOM 0 HA ALA D 40 100.990 -3.419 -17.294 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.601 -3.971 -17.697 1.00 0.00 H new ATOM 0 HB2 ALA D 40 99.095 -4.391 -16.040 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.136 -2.922 -16.336 1.00 0.00 H new ATOM 1685 N TRP D 41 99.637 -0.500 -17.425 1.00 0.00 N ATOM 1686 CA TRP D 41 99.352 0.642 -18.286 1.00 0.00 C ATOM 1687 C TRP D 41 100.522 0.976 -19.215 1.00 0.00 C ATOM 1688 O TRP D 41 100.323 1.269 -20.393 1.00 0.00 O ATOM 1689 CB TRP D 41 99.048 1.848 -17.399 1.00 0.00 C ATOM 1690 CG TRP D 41 98.622 3.020 -18.222 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.399 3.681 -19.116 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.338 3.704 -18.213 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.660 4.702 -19.677 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.387 4.759 -19.149 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.143 3.507 -17.497 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.295 5.588 -19.368 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.040 4.350 -17.712 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.118 5.390 -18.650 1.00 0.00 C ATOM 0 H TRP D 41 99.547 -0.309 -16.427 1.00 0.00 H new ATOM 0 HA TRP D 41 98.500 0.391 -18.918 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.262 1.593 -16.688 1.00 0.00 H new ATOM 0 HB3 TRP D 41 99.932 2.109 -16.817 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.427 3.447 -19.350 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.012 5.337 -20.394 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.073 2.704 -16.779 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.358 6.385 -20.094 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.129 4.197 -17.153 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.268 6.035 -18.815 1.00 0.00 H new ATOM 1709 N THR D 42 101.702 0.998 -18.669 1.00 0.00 N ATOM 1710 CA THR D 42 102.904 1.378 -19.420 1.00 0.00 C ATOM 1711 C THR D 42 103.049 0.671 -20.776 1.00 0.00 C ATOM 1712 O THR D 42 103.451 1.305 -21.753 1.00 0.00 O ATOM 1713 CB THR D 42 104.143 1.093 -18.569 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.172 -0.284 -18.222 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.090 1.938 -17.296 1.00 0.00 C ATOM 0 H THR D 42 101.878 0.757 -17.694 1.00 0.00 H new ATOM 0 HA THR D 42 102.804 2.441 -19.638 1.00 0.00 H new ATOM 0 HB THR D 42 105.040 1.344 -19.136 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.494 -0.463 -17.538 1.00 0.00 H new ATOM 0 HG21 THR D 42 104.972 1.736 -16.688 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.066 2.995 -17.562 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.194 1.686 -16.729 1.00 0.00 H new ATOM 1723 N ILE D 43 102.765 -0.600 -20.850 1.00 0.00 N ATOM 1724 CA ILE D 43 102.925 -1.309 -22.125 1.00 0.00 C ATOM 1725 C ILE D 43 102.091 -0.657 -23.245 1.00 0.00 C ATOM 1726 O ILE D 43 102.440 -0.765 -24.414 1.00 0.00 O ATOM 1727 CB ILE D 43 102.635 -2.835 -21.974 1.00 0.00 C ATOM 1728 CG1 ILE D 43 101.234 -3.231 -22.495 1.00 0.00 C ATOM 1729 CG2 ILE D 43 102.759 -3.242 -20.507 1.00 0.00 C ATOM 1730 CD1 ILE D 43 100.117 -2.439 -21.798 1.00 0.00 C ATOM 0 H ILE D 43 102.429 -1.169 -20.073 1.00 0.00 H new ATOM 0 HA ILE D 43 103.970 -1.219 -22.423 1.00 0.00 H new ATOM 0 HB ILE D 43 103.372 -3.360 -22.582 1.00 0.00 H new ATOM 0 HG12 ILE D 43 101.185 -3.058 -23.570 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.076 -4.298 -22.336 1.00 0.00 H new ATOM 0 HG21 ILE D 43 102.556 -4.308 -20.407 1.00 0.00 H new ATOM 0 HG22 ILE D 43 103.769 -3.030 -20.155 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.041 -2.678 -19.911 1.00 0.00 H new ATOM 0 HD11 ILE D 43 99.150 -2.749 -22.194 1.00 0.00 H new ATOM 0 HD12 ILE D 43 100.149 -2.632 -20.726 1.00 0.00 H new ATOM 0 HD13 ILE D 43 100.259 -1.374 -21.979 1.00 0.00 H new ATOM 1742 N GLY D 44 101.009 -0.005 -22.903 1.00 0.00 N ATOM 1743 CA GLY D 44 100.159 0.625 -23.920 1.00 0.00 C ATOM 1744 C GLY D 44 100.986 1.447 -24.907 1.00 0.00 C ATOM 1745 O GLY D 44 100.814 1.323 -26.119 1.00 0.00 O ATOM 0 H GLY D 44 100.686 0.111 -21.943 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.604 -0.143 -24.459 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.424 1.268 -23.435 1.00 0.00 H new ATOM 1749 N HIS D 45 101.828 2.301 -24.398 1.00 0.00 N ATOM 1750 CA HIS D 45 102.635 3.178 -25.242 1.00 0.00 C ATOM 1751 C HIS D 45 103.192 2.431 -26.450 1.00 0.00 C ATOM 1752 O HIS D 45 103.514 3.041 -27.469 1.00 0.00 O ATOM 1753 CB HIS D 45 103.791 3.750 -24.424 1.00 0.00 C ATOM 1754 CG HIS D 45 104.612 4.672 -25.285 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.720 4.234 -25.997 1.00 0.00 N ATOM 1756 CD2 HIS D 45 104.499 6.012 -25.557 1.00 0.00 C ATOM 1757 CE1 HIS D 45 106.224 5.296 -26.654 1.00 0.00 C ATOM 1758 NE2 HIS D 45 105.516 6.405 -26.419 1.00 0.00 N ATOM 0 H HIS D 45 101.984 2.419 -23.397 1.00 0.00 H new ATOM 0 HA HIS D 45 101.995 3.983 -25.604 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.405 4.291 -23.560 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.414 2.942 -24.042 1.00 0.00 H new ATOM 0 HD2 HIS D 45 103.734 6.664 -25.161 1.00 0.00 H new ATOM 0 HE1 HIS D 45 107.094 5.256 -27.293 1.00 0.00 H new ATOM 0 HE2 HIS D 45 105.686 7.339 -26.792 1.00 0.00 H new ATOM 1767 N LEU D 46 103.304 1.141 -26.338 1.00 0.00 N ATOM 1768 CA LEU D 46 103.829 0.342 -27.438 1.00 0.00 C ATOM 1769 C LEU D 46 103.182 0.740 -28.768 1.00 0.00 C ATOM 1770 O LEU D 46 103.795 0.553 -29.819 1.00 0.00 O ATOM 1771 CB LEU D 46 103.626 -1.173 -27.185 1.00 0.00 C ATOM 1772 CG LEU D 46 102.187 -1.623 -27.576 1.00 0.00 C ATOM 1773 CD1 LEU D 46 102.145 -2.128 -29.040 1.00 0.00 C ATOM 1774 CD2 LEU D 46 101.714 -2.746 -26.631 1.00 0.00 C ATOM 0 H LEU D 46 103.044 0.609 -25.507 1.00 0.00 H new ATOM 0 HA LEU D 46 104.899 0.541 -27.496 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.356 -1.741 -27.761 1.00 0.00 H new ATOM 0 HB3 LEU D 46 103.806 -1.396 -26.133 1.00 0.00 H new ATOM 0 HG LEU D 46 101.524 -0.763 -27.485 1.00 0.00 H new ATOM 0 HD11 LEU D 46 101.130 -2.437 -29.289 1.00 0.00 H new ATOM 0 HD12 LEU D 46 102.456 -1.327 -29.710 1.00 0.00 H new ATOM 0 HD13 LEU D 46 102.820 -2.977 -29.152 1.00 0.00 H new ATOM 0 HD21 LEU D 46 100.707 -3.056 -26.910 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.391 -3.597 -26.710 1.00 0.00 H new ATOM 0 HD23 LEU D 46 101.710 -2.380 -25.604 1.00 0.00 H new ATOM 1786 N ASN D 47 101.982 1.290 -28.759 1.00 0.00 N ATOM 1787 CA ASN D 47 101.337 1.697 -30.010 1.00 0.00 C ATOM 1788 C ASN D 47 101.999 2.929 -30.661 1.00 0.00 C ATOM 1789 O ASN D 47 101.975 3.070 -31.884 1.00 0.00 O ATOM 1790 CB ASN D 47 99.869 2.033 -29.724 1.00 0.00 C ATOM 1791 CG ASN D 47 99.151 0.821 -29.143 1.00 0.00 C ATOM 1792 OD1 ASN D 47 99.118 -0.239 -29.766 1.00 0.00 O ATOM 1793 ND2 ASN D 47 98.565 0.916 -27.978 1.00 0.00 N ATOM 0 H ASN D 47 101.434 1.467 -27.917 1.00 0.00 H new ATOM 0 HA ASN D 47 101.436 0.864 -30.706 1.00 0.00 H new ATOM 0 HB2 ASN D 47 99.810 2.868 -29.026 1.00 0.00 H new ATOM 0 HB3 ASN D 47 99.376 2.350 -30.643 1.00 0.00 H new ATOM 0 HD21 ASN D 47 98.079 0.110 -27.584 1.00 0.00 H new ATOM 0 HD22 ASN D 47 98.594 1.796 -27.463 1.00 0.00 H new ATOM 1800 N GLN D 48 102.573 3.798 -29.863 1.00 0.00 N ATOM 1801 CA GLN D 48 103.225 4.996 -30.383 1.00 0.00 C ATOM 1802 C GLN D 48 104.516 4.629 -31.104 1.00 0.00 C ATOM 1803 O GLN D 48 104.792 5.126 -32.196 1.00 0.00 O ATOM 1804 CB GLN D 48 103.548 5.963 -29.234 1.00 0.00 C ATOM 1805 CG GLN D 48 102.272 6.665 -28.760 1.00 0.00 C ATOM 1806 CD GLN D 48 101.175 5.642 -28.492 1.00 0.00 C ATOM 1807 OE1 GLN D 48 100.591 5.099 -29.428 1.00 0.00 O ATOM 1808 NE2 GLN D 48 100.864 5.342 -27.261 1.00 0.00 N ATOM 0 H GLN D 48 102.606 3.705 -28.848 1.00 0.00 H new ATOM 0 HA GLN D 48 102.545 5.477 -31.086 1.00 0.00 H new ATOM 0 HB2 GLN D 48 104.001 5.417 -28.406 1.00 0.00 H new ATOM 0 HB3 GLN D 48 104.277 6.702 -29.565 1.00 0.00 H new ATOM 0 HG2 GLN D 48 102.477 7.234 -27.853 1.00 0.00 H new ATOM 0 HG3 GLN D 48 101.938 7.377 -29.515 1.00 0.00 H new ATOM 0 HE21 GLN D 48 101.351 5.795 -26.487 1.00 0.00 H new ATOM 0 HE22 GLN D 48 100.134 4.655 -27.072 1.00 0.00 H new ATOM 1817 N ILE D 49 105.295 3.776 -30.492 1.00 0.00 N ATOM 1818 CA ILE D 49 106.561 3.353 -31.077 1.00 0.00 C ATOM 1819 C ILE D 49 106.381 3.013 -32.556 1.00 0.00 C ATOM 1820 O ILE D 49 106.578 3.865 -33.422 1.00 0.00 O ATOM 1821 CB ILE D 49 107.104 2.141 -30.313 1.00 0.00 C ATOM 1822 CG1 ILE D 49 107.235 2.496 -28.827 1.00 0.00 C ATOM 1823 CG2 ILE D 49 108.478 1.756 -30.865 1.00 0.00 C ATOM 1824 CD1 ILE D 49 107.652 1.255 -28.034 1.00 0.00 C ATOM 0 H ILE D 49 105.084 3.355 -29.587 1.00 0.00 H new ATOM 0 HA ILE D 49 107.276 4.172 -31.000 1.00 0.00 H new ATOM 0 HB ILE D 49 106.419 1.302 -30.432 1.00 0.00 H new ATOM 0 HG12 ILE D 49 107.973 3.288 -28.696 1.00 0.00 H new ATOM 0 HG13 ILE D 49 106.287 2.879 -28.450 1.00 0.00 H new ATOM 0 HG21 ILE D 49 108.861 0.894 -30.319 1.00 0.00 H new ATOM 0 HG22 ILE D 49 108.388 1.506 -31.922 1.00 0.00 H new ATOM 0 HG23 ILE D 49 109.165 2.594 -30.748 1.00 0.00 H new ATOM 0 HD11 ILE D 49 107.744 1.512 -26.979 1.00 0.00 H new ATOM 0 HD12 ILE D 49 106.899 0.476 -28.154 1.00 0.00 H new ATOM 0 HD13 ILE D 49 108.611 0.892 -28.404 1.00 0.00 H new ATOM 1836 N LYS D 50 106.017 1.791 -32.836 1.00 0.00 N ATOM 1837 CA LYS D 50 105.820 1.366 -34.217 1.00 0.00 C ATOM 1838 C LYS D 50 104.888 2.331 -34.944 1.00 0.00 C ATOM 1839 O LYS D 50 105.134 2.699 -36.093 1.00 0.00 O ATOM 1840 CB LYS D 50 105.223 -0.046 -34.249 1.00 0.00 C ATOM 1841 CG LYS D 50 105.305 -0.626 -35.676 1.00 0.00 C ATOM 1842 CD LYS D 50 106.674 -1.284 -35.904 1.00 0.00 C ATOM 1843 CE LYS D 50 106.688 -1.967 -37.272 1.00 0.00 C ATOM 1844 NZ LYS D 50 108.013 -2.614 -37.490 1.00 0.00 N ATOM 0 H LYS D 50 105.849 1.067 -32.138 1.00 0.00 H new ATOM 0 HA LYS D 50 106.787 1.363 -34.720 1.00 0.00 H new ATOM 0 HB2 LYS D 50 105.760 -0.692 -33.555 1.00 0.00 H new ATOM 0 HB3 LYS D 50 104.184 -0.017 -33.919 1.00 0.00 H new ATOM 0 HG2 LYS D 50 104.512 -1.359 -35.824 1.00 0.00 H new ATOM 0 HG3 LYS D 50 105.148 0.166 -36.408 1.00 0.00 H new ATOM 0 HD2 LYS D 50 107.463 -0.534 -35.852 1.00 0.00 H new ATOM 0 HD3 LYS D 50 106.874 -2.013 -35.119 1.00 0.00 H new ATOM 0 HE2 LYS D 50 105.894 -2.712 -37.327 1.00 0.00 H new ATOM 0 HE3 LYS D 50 106.494 -1.236 -38.057 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 108.023 -3.079 -38.420 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 108.761 -1.893 -37.455 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 108.180 -3.322 -36.747 1.00 0.00 H new ATOM 1858 N ARG D 51 103.839 2.733 -34.279 1.00 0.00 N ATOM 1859 CA ARG D 51 102.879 3.658 -34.871 1.00 0.00 C ATOM 1860 C ARG D 51 102.158 2.998 -36.045 1.00 0.00 C ATOM 1861 O ARG D 51 100.965 2.706 -35.967 1.00 0.00 O ATOM 1862 CB ARG D 51 103.608 4.927 -35.347 1.00 0.00 C ATOM 1863 CG ARG D 51 102.641 6.118 -35.380 1.00 0.00 C ATOM 1864 CD ARG D 51 101.497 5.840 -36.362 1.00 0.00 C ATOM 1865 NE ARG D 51 100.851 7.091 -36.745 1.00 0.00 N ATOM 1866 CZ ARG D 51 101.440 7.937 -37.543 1.00 0.00 C ATOM 1867 NH1 ARG D 51 102.625 7.670 -38.018 1.00 0.00 N ATOM 1868 NH2 ARG D 51 100.844 9.051 -37.868 1.00 0.00 N ATOM 0 H ARG D 51 103.617 2.441 -33.327 1.00 0.00 H new ATOM 0 HA ARG D 51 102.139 3.929 -34.118 1.00 0.00 H new ATOM 0 HB2 ARG D 51 104.443 5.146 -34.681 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.027 4.763 -36.340 1.00 0.00 H new ATOM 0 HG2 ARG D 51 102.239 6.298 -34.383 1.00 0.00 H new ATOM 0 HG3 ARG D 51 103.174 7.021 -35.677 1.00 0.00 H new ATOM 0 HD2 ARG D 51 101.882 5.334 -37.248 1.00 0.00 H new ATOM 0 HD3 ARG D 51 100.769 5.171 -35.904 1.00 0.00 H new ATOM 0 HE ARG D 51 99.923 7.307 -36.382 1.00 0.00 H new ATOM 0 HH11 ARG D 51 103.091 6.799 -37.765 1.00 0.00 H new ATOM 0 HH12 ARG D 51 103.085 8.332 -38.642 1.00 0.00 H new ATOM 0 HH21 ARG D 51 99.917 9.260 -37.498 1.00 0.00 H new ATOM 0 HH22 ARG D 51 101.305 9.713 -38.492 1.00 0.00 H new ATOM 1882 N GLY D 52 102.878 2.770 -37.109 1.00 0.00 N ATOM 1883 CA GLY D 52 102.299 2.144 -38.292 1.00 0.00 C ATOM 1884 C GLY D 52 101.028 2.866 -38.723 1.00 0.00 C ATOM 0 H GLY D 52 103.867 3.004 -37.193 1.00 0.00 H new ATOM 0 HA2 GLY D 52 103.023 2.157 -39.106 1.00 0.00 H new ATOM 0 HA3 GLY D 52 102.074 1.098 -38.082 1.00 0.00 H new TER 1888 GLY D 52 HETATM 1889 CA RIM A 1 89.590 5.494 -7.848 1.00 0.00 C HETATM 1890 CB RIM A 1 90.555 5.125 -6.711 1.00 0.00 C HETATM 1891 NC RIM A 1 91.725 6.048 -6.770 1.00 0.00 N HETATM 1892 CD RIM A 1 89.882 5.229 -5.310 1.00 0.00 C HETATM 1893 CE1 RIM A 1 89.095 3.950 -5.021 1.00 0.00 C HETATM 1894 CE2 RIM A 1 88.952 6.448 -5.218 1.00 0.00 C HETATM 1895 CE3 RIM A 1 90.983 5.346 -4.255 1.00 0.00 C HETATM 1896 CF1 RIM A 1 88.457 4.028 -3.615 1.00 0.00 C HETATM 1897 CF2 RIM A 1 88.345 6.534 -3.815 1.00 0.00 C HETATM 1898 CF3 RIM A 1 90.373 5.453 -2.856 1.00 0.00 C HETATM 1899 CG1 RIM A 1 87.548 5.260 -3.545 1.00 0.00 C HETATM 1900 CG2 RIM A 1 89.459 6.667 -2.788 1.00 0.00 C HETATM 1901 CG3 RIM A 1 89.565 4.192 -2.568 1.00 0.00 C HETATM 0 HNC2 RIM A 1 92.480 5.959 -6.090 1.00 0.00 H new HETATM 0 HNC1 RIM A 1 91.770 6.769 -7.491 1.00 0.00 H new HETATM 0 HG32 RIM A 1 89.129 4.250 -1.571 1.00 0.00 H new HETATM 0 HG31 RIM A 1 90.219 3.320 -2.580 1.00 0.00 H new HETATM 0 HG22 RIM A 1 90.032 7.575 -2.975 1.00 0.00 H new HETATM 0 HG21 RIM A 1 89.035 6.758 -1.788 1.00 0.00 H new HETATM 0 HG12 RIM A 1 86.744 5.167 -4.275 1.00 0.00 H new HETATM 0 HG11 RIM A 1 87.081 5.318 -2.562 1.00 0.00 H new HETATM 0 HE32 RIM A 1 91.639 4.477 -4.307 1.00 0.00 H new HETATM 0 HE31 RIM A 1 91.598 6.222 -4.458 1.00 0.00 H new HETATM 0 HE22 RIM A 1 89.508 7.359 -5.440 1.00 0.00 H new HETATM 0 HE21 RIM A 1 88.160 6.369 -5.963 1.00 0.00 H new HETATM 0 HE12 RIM A 1 88.319 3.813 -5.774 1.00 0.00 H new HETATM 0 HE11 RIM A 1 89.756 3.085 -5.082 1.00 0.00 H new HETATM 0 HF3 RIM A 1 91.167 5.560 -2.117 1.00 0.00 H new HETATM 0 HF2 RIM A 1 87.689 7.402 -3.746 1.00 0.00 H new HETATM 0 HF1 RIM A 1 87.885 3.120 -3.424 1.00 0.00 H new HETATM 0 HB RIM A 1 90.864 4.088 -6.845 1.00 0.00 H new HETATM 0 HA3 RIM A 1 89.259 6.525 -7.724 1.00 0.00 H new HETATM 0 HA2 RIM A 1 90.100 5.390 -8.806 1.00 0.00 H new HETATM 0 HA1 RIM A 1 88.726 4.830 -7.822 1.00 0.00 H new