USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 972 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 47 ASN :FLIP amide:sc= -3.52! C(o=-17!,f=-10!) USER MOD Set 1.2: C 47 ASN :FLIP amide:sc= -6.46! C(o=-12!,f=-10!) USER MOD Set 2.1: A 47 ASN :FLIP amide:sc= -6.09! C(o=-10!,f=-9.3!) USER MOD Set 2.2: D 47 ASN : amide:sc= -0.759 K(o=-9.3,f=-11!) USER MOD Set 2.3: D 48 GLN :FLIP amide:sc= -2.49! C(o=-11!,f=-9.3!) USER MOD Set 3.1: A 45 HIS :FLIP no HD1:sc= -0.711 F(o=-5,f=-3.3) USER MOD Set 3.2: A 48 GLN :FLIP amide:sc= -2.59 X(o=-3.7,f=-3.3) USER MOD Set 4.1: A 37 HIS : no HD1:sc= -14.3! C(o=-22!,f=-33!) USER MOD Set 4.2: D 37 HIS : no HE2:sc= -7.58! C(o=-22!,f=-35!) USER MOD Single : A 23 SER OG : rot 40:sc= 0.0229 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -79:sc= 0.665 USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= -0.0585 (180deg=-0.657) USER MOD Single : B 23 SER OG : rot 180:sc= 0.255! USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-0.75) USER MOD Single : B 42 THR OG1 : rot -99:sc= 0.509 USER MOD Single : B 45 HIS : no HD1:sc= -0.096 X(o=-0.096,f=0) USER MOD Single : B 48 GLN : amide:sc= -7.13! C(o=-7.1!,f=-16!) USER MOD Single : B 50 LYS NZ :NH3+ 159:sc= -0.0997 (180deg=-0.673) USER MOD Single : C 23 SER OG : rot 34:sc= 0.312 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -9.07! C(o=-9.1!,f=-14!) USER MOD Single : C 42 THR OG1 : rot -78:sc= 0.777 USER MOD Single : C 45 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.0044) USER MOD Single : C 48 GLN :FLIP amide:sc= 0.0566 F(o=-0.83,f=0.057) USER MOD Single : C 50 LYS NZ :NH3+ -109:sc= -0.779 (180deg=-3.16!) USER MOD Single : D 23 SER OG : rot -29:sc= 0.266 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -82:sc= 0.449! USER MOD Single : D 45 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.12) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 23 76.758 0.757 6.601 1.00 0.00 N ATOM 2 CA SER A 23 76.025 2.050 6.499 1.00 0.00 C ATOM 3 C SER A 23 76.825 3.020 5.634 1.00 0.00 C ATOM 4 O SER A 23 76.757 4.233 5.824 1.00 0.00 O ATOM 5 CB SER A 23 75.834 2.638 7.897 1.00 0.00 C ATOM 6 OG SER A 23 74.948 1.808 8.638 1.00 0.00 O ATOM 0 HA SER A 23 75.049 1.883 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 23 76.794 2.712 8.407 1.00 0.00 H new ATOM 0 HB3 SER A 23 75.432 3.649 7.827 1.00 0.00 H new ATOM 0 HG SER A 23 75.142 0.867 8.444 1.00 0.00 H new ATOM 11 N ASP A 24 77.566 2.484 4.699 1.00 0.00 N ATOM 12 CA ASP A 24 78.374 3.311 3.807 1.00 0.00 C ATOM 13 C ASP A 24 78.789 2.525 2.563 1.00 0.00 C ATOM 14 O ASP A 24 79.978 2.369 2.287 1.00 0.00 O ATOM 15 CB ASP A 24 79.628 3.799 4.542 1.00 0.00 C ATOM 16 CG ASP A 24 79.263 4.897 5.535 1.00 0.00 C ATOM 17 OD1 ASP A 24 78.570 5.820 5.138 1.00 0.00 O ATOM 18 OD2 ASP A 24 79.678 4.799 6.677 1.00 0.00 O ATOM 0 H ASP A 24 77.634 1.481 4.527 1.00 0.00 H new ATOM 0 HA ASP A 24 77.773 4.166 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 24 80.098 2.967 5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 24 80.356 4.176 3.824 1.00 0.00 H new ATOM 23 N PRO A 25 77.837 2.035 1.812 1.00 0.00 N ATOM 24 CA PRO A 25 78.109 1.255 0.568 1.00 0.00 C ATOM 25 C PRO A 25 78.490 2.159 -0.606 1.00 0.00 C ATOM 26 O PRO A 25 78.793 1.681 -1.699 1.00 0.00 O ATOM 27 CB PRO A 25 76.776 0.544 0.309 1.00 0.00 C ATOM 28 CG PRO A 25 75.742 1.476 0.857 1.00 0.00 C ATOM 29 CD PRO A 25 76.390 2.169 2.064 1.00 0.00 C ATOM 0 HA PRO A 25 78.952 0.573 0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.623 0.363 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.740 -0.425 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.438 2.205 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 25 74.846 0.932 1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 25 76.091 3.215 2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.101 1.693 3.001 1.00 0.00 H new ATOM 37 N LEU A 26 78.459 3.443 -0.375 1.00 0.00 N ATOM 38 CA LEU A 26 78.787 4.413 -1.415 1.00 0.00 C ATOM 39 C LEU A 26 80.233 4.249 -1.888 1.00 0.00 C ATOM 40 O LEU A 26 80.499 4.203 -3.089 1.00 0.00 O ATOM 41 CB LEU A 26 78.581 5.833 -0.870 1.00 0.00 C ATOM 42 CG LEU A 26 78.679 6.871 -2.006 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.354 6.955 -2.776 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.996 8.250 -1.414 1.00 0.00 C ATOM 0 H LEU A 26 78.210 3.855 0.524 1.00 0.00 H new ATOM 0 HA LEU A 26 78.129 4.241 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.606 5.905 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.330 6.048 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 26 79.471 6.563 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.443 7.693 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.121 5.981 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.556 7.251 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 79.065 8.984 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 26 78.204 8.541 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.945 8.207 -0.879 1.00 0.00 H new ATOM 56 N VAL A 27 81.145 4.177 -0.958 1.00 0.00 N ATOM 57 CA VAL A 27 82.560 4.036 -1.294 1.00 0.00 C ATOM 58 C VAL A 27 82.865 2.654 -1.866 1.00 0.00 C ATOM 59 O VAL A 27 83.750 2.504 -2.709 1.00 0.00 O ATOM 60 CB VAL A 27 83.416 4.266 -0.048 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.109 3.183 0.988 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.897 4.199 -0.430 1.00 0.00 C ATOM 0 H VAL A 27 80.947 4.212 0.042 1.00 0.00 H new ATOM 0 HA VAL A 27 82.796 4.782 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 27 83.191 5.246 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 27 83.719 3.346 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.054 3.227 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.335 2.203 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.509 4.363 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.121 3.218 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.117 4.969 -1.170 1.00 0.00 H new ATOM 72 N VAL A 28 82.149 1.665 -1.410 1.00 0.00 N ATOM 73 CA VAL A 28 82.363 0.301 -1.884 1.00 0.00 C ATOM 74 C VAL A 28 81.895 0.146 -3.331 1.00 0.00 C ATOM 75 O VAL A 28 82.570 -0.478 -4.147 1.00 0.00 O ATOM 76 CB VAL A 28 81.616 -0.689 -0.990 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.842 -2.110 -1.507 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.143 -0.577 0.442 1.00 0.00 C ATOM 0 H VAL A 28 81.411 1.763 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 28 83.432 0.090 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 28 80.550 -0.462 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.310 -2.818 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.469 -2.189 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 28 82.908 -2.338 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.612 -1.282 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.209 -0.806 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 28 81.985 0.437 0.810 1.00 0.00 H new ATOM 88 N ALA A 29 80.754 0.701 -3.630 1.00 0.00 N ATOM 89 CA ALA A 29 80.199 0.612 -4.978 1.00 0.00 C ATOM 90 C ALA A 29 81.224 1.043 -6.026 1.00 0.00 C ATOM 91 O ALA A 29 81.319 0.442 -7.096 1.00 0.00 O ATOM 92 CB ALA A 29 78.957 1.499 -5.086 1.00 0.00 C ATOM 0 H ALA A 29 80.180 1.223 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 29 79.930 -0.427 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.547 1.429 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.209 1.167 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.229 2.533 -4.876 1.00 0.00 H new ATOM 98 N ALA A 30 81.965 2.072 -5.721 1.00 0.00 N ATOM 99 CA ALA A 30 82.970 2.582 -6.649 1.00 0.00 C ATOM 100 C ALA A 30 84.019 1.517 -6.975 1.00 0.00 C ATOM 101 O ALA A 30 84.577 1.500 -8.071 1.00 0.00 O ATOM 102 CB ALA A 30 83.660 3.805 -6.041 1.00 0.00 C ATOM 0 H ALA A 30 81.902 2.583 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 30 82.464 2.860 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.409 4.183 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 30 82.920 4.582 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.143 3.523 -5.105 1.00 0.00 H new ATOM 108 N SER A 31 84.281 0.656 -6.032 1.00 0.00 N ATOM 109 CA SER A 31 85.272 -0.401 -6.226 1.00 0.00 C ATOM 110 C SER A 31 84.857 -1.340 -7.358 1.00 0.00 C ATOM 111 O SER A 31 85.696 -1.811 -8.126 1.00 0.00 O ATOM 112 CB SER A 31 85.448 -1.204 -4.938 1.00 0.00 C ATOM 113 OG SER A 31 86.457 -2.186 -5.131 1.00 0.00 O ATOM 0 H SER A 31 83.830 0.653 -5.117 1.00 0.00 H new ATOM 0 HA SER A 31 86.218 0.071 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.722 -0.541 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.508 -1.681 -4.662 1.00 0.00 H new ATOM 0 HG SER A 31 86.573 -2.702 -4.306 1.00 0.00 H new ATOM 119 N ILE A 32 83.584 -1.609 -7.445 1.00 0.00 N ATOM 120 CA ILE A 32 83.065 -2.501 -8.479 1.00 0.00 C ATOM 121 C ILE A 32 83.434 -1.999 -9.873 1.00 0.00 C ATOM 122 O ILE A 32 83.679 -2.792 -10.782 1.00 0.00 O ATOM 123 CB ILE A 32 81.543 -2.597 -8.361 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.170 -3.095 -6.962 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.008 -3.575 -9.408 1.00 0.00 C ATOM 126 CD1 ILE A 32 79.662 -2.946 -6.753 1.00 0.00 C ATOM 0 H ILE A 32 82.875 -1.229 -6.818 1.00 0.00 H new ATOM 0 HA ILE A 32 83.512 -3.485 -8.335 1.00 0.00 H new ATOM 0 HB ILE A 32 81.105 -1.613 -8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.463 -4.139 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.711 -2.526 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.923 -3.642 -9.322 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.272 -3.222 -10.405 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.447 -4.559 -9.244 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.396 -3.300 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 32 79.383 -1.897 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.131 -3.534 -7.501 1.00 0.00 H new ATOM 138 N ILE A 33 83.459 -0.706 -10.034 1.00 0.00 N ATOM 139 CA ILE A 33 83.784 -0.109 -11.326 1.00 0.00 C ATOM 140 C ILE A 33 85.250 -0.363 -11.681 1.00 0.00 C ATOM 141 O ILE A 33 85.599 -0.488 -12.856 1.00 0.00 O ATOM 142 CB ILE A 33 83.502 1.409 -11.296 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.032 1.651 -10.886 1.00 0.00 C ATOM 144 CG2 ILE A 33 83.750 2.021 -12.689 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.633 3.105 -11.166 1.00 0.00 C ATOM 0 H ILE A 33 83.260 -0.033 -9.294 1.00 0.00 H new ATOM 0 HA ILE A 33 83.157 -0.572 -12.088 1.00 0.00 H new ATOM 0 HB ILE A 33 84.169 1.880 -10.574 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.378 0.975 -11.437 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.902 1.429 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.548 3.092 -12.657 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.787 1.856 -12.980 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.090 1.549 -13.417 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.595 3.260 -10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.276 3.775 -10.595 1.00 0.00 H new ATOM 0 HD13 ILE A 33 81.744 3.314 -12.230 1.00 0.00 H new ATOM 157 N GLY A 34 86.088 -0.419 -10.686 1.00 0.00 N ATOM 158 CA GLY A 34 87.515 -0.635 -10.912 1.00 0.00 C ATOM 159 C GLY A 34 87.814 -2.030 -11.454 1.00 0.00 C ATOM 160 O GLY A 34 88.609 -2.185 -12.381 1.00 0.00 O ATOM 0 H GLY A 34 85.822 -0.320 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.886 0.112 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.054 -0.488 -9.976 1.00 0.00 H new ATOM 164 N ILE A 35 87.201 -3.025 -10.880 1.00 0.00 N ATOM 165 CA ILE A 35 87.429 -4.400 -11.316 1.00 0.00 C ATOM 166 C ILE A 35 86.822 -4.650 -12.694 1.00 0.00 C ATOM 167 O ILE A 35 87.305 -5.487 -13.454 1.00 0.00 O ATOM 168 CB ILE A 35 86.821 -5.379 -10.309 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.404 -5.109 -8.918 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.151 -6.812 -10.731 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.649 -5.939 -7.879 1.00 0.00 C ATOM 0 H ILE A 35 86.539 -2.925 -10.110 1.00 0.00 H new ATOM 0 HA ILE A 35 88.506 -4.556 -11.377 1.00 0.00 H new ATOM 0 HB ILE A 35 85.739 -5.248 -10.281 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.464 -5.362 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.326 -4.048 -8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.719 -7.511 -10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.737 -7.004 -11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.233 -6.943 -10.758 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.063 -5.747 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.594 -5.664 -7.890 1.00 0.00 H new ATOM 0 HD13 ILE A 35 86.750 -6.998 -8.116 1.00 0.00 H new ATOM 183 N LEU A 36 85.767 -3.945 -12.997 1.00 0.00 N ATOM 184 CA LEU A 36 85.088 -4.114 -14.277 1.00 0.00 C ATOM 185 C LEU A 36 85.996 -3.749 -15.451 1.00 0.00 C ATOM 186 O LEU A 36 86.076 -4.492 -16.424 1.00 0.00 O ATOM 187 CB LEU A 36 83.822 -3.248 -14.302 1.00 0.00 C ATOM 188 CG LEU A 36 83.090 -3.383 -15.646 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.729 -4.853 -15.912 1.00 0.00 C ATOM 190 CD2 LEU A 36 81.810 -2.540 -15.596 1.00 0.00 C ATOM 0 H LEU A 36 85.350 -3.245 -12.383 1.00 0.00 H new ATOM 0 HA LEU A 36 84.820 -5.165 -14.383 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.158 -3.545 -13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.087 -2.205 -14.131 1.00 0.00 H new ATOM 0 HG LEU A 36 83.739 -3.034 -16.449 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.211 -4.933 -16.868 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.639 -5.452 -15.941 1.00 0.00 H new ATOM 0 HD13 LEU A 36 82.080 -5.218 -15.116 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.280 -2.627 -16.545 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.170 -2.897 -14.789 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.069 -1.496 -15.419 1.00 0.00 H new ATOM 202 N HIS A 37 86.652 -2.624 -15.373 1.00 0.00 N ATOM 203 CA HIS A 37 87.523 -2.201 -16.468 1.00 0.00 C ATOM 204 C HIS A 37 88.610 -3.237 -16.750 1.00 0.00 C ATOM 205 O HIS A 37 89.096 -3.344 -17.876 1.00 0.00 O ATOM 206 CB HIS A 37 88.152 -0.833 -16.168 1.00 0.00 C ATOM 207 CG HIS A 37 89.161 -0.938 -15.056 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.140 -1.919 -15.022 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.361 -0.173 -13.934 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.874 -1.722 -13.911 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.441 -0.672 -13.212 1.00 0.00 N ATOM 0 H HIS A 37 86.611 -1.982 -14.581 1.00 0.00 H new ATOM 0 HA HIS A 37 86.905 -2.111 -17.362 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.633 -0.445 -17.066 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.373 -0.123 -15.892 1.00 0.00 H new ATOM 0 HD2 HIS A 37 88.770 0.686 -13.654 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.712 -2.339 -13.621 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.820 -0.312 -12.336 1.00 0.00 H new ATOM 220 N PHE A 38 88.995 -3.970 -15.742 1.00 0.00 N ATOM 221 CA PHE A 38 90.041 -4.979 -15.888 1.00 0.00 C ATOM 222 C PHE A 38 89.731 -5.964 -17.018 1.00 0.00 C ATOM 223 O PHE A 38 90.620 -6.315 -17.795 1.00 0.00 O ATOM 224 CB PHE A 38 90.202 -5.745 -14.570 1.00 0.00 C ATOM 225 CG PHE A 38 91.383 -6.682 -14.666 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.680 -6.198 -14.455 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.180 -8.036 -14.963 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.774 -7.068 -14.540 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.275 -8.905 -15.048 1.00 0.00 C ATOM 230 CZ PHE A 38 93.572 -8.421 -14.837 1.00 0.00 C ATOM 0 H PHE A 38 88.606 -3.897 -14.802 1.00 0.00 H new ATOM 0 HA PHE A 38 90.968 -4.464 -16.140 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.347 -5.045 -13.747 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.295 -6.309 -14.353 1.00 0.00 H new ATOM 0 HD1 PHE A 38 92.837 -5.154 -14.227 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.180 -8.409 -15.126 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.774 -6.695 -14.376 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.119 -9.949 -15.276 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.416 -9.091 -14.903 1.00 0.00 H new ATOM 240 N ILE A 39 88.510 -6.424 -17.098 1.00 0.00 N ATOM 241 CA ILE A 39 88.154 -7.393 -18.137 1.00 0.00 C ATOM 242 C ILE A 39 88.435 -6.839 -19.537 1.00 0.00 C ATOM 243 O ILE A 39 88.961 -7.547 -20.396 1.00 0.00 O ATOM 244 CB ILE A 39 86.672 -7.797 -18.008 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.433 -9.138 -18.730 1.00 0.00 C ATOM 246 CG2 ILE A 39 85.766 -6.725 -18.630 1.00 0.00 C ATOM 247 CD1 ILE A 39 87.132 -10.295 -17.993 1.00 0.00 C ATOM 0 H ILE A 39 87.747 -6.158 -16.475 1.00 0.00 H new ATOM 0 HA ILE A 39 88.775 -8.277 -17.996 1.00 0.00 H new ATOM 0 HB ILE A 39 86.433 -7.897 -16.949 1.00 0.00 H new ATOM 0 HG12 ILE A 39 85.363 -9.336 -18.792 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.806 -9.076 -19.752 1.00 0.00 H new ATOM 0 HG21 ILE A 39 84.723 -7.027 -18.530 1.00 0.00 H new ATOM 0 HG22 ILE A 39 85.920 -5.776 -18.116 1.00 0.00 H new ATOM 0 HG23 ILE A 39 86.011 -6.610 -19.686 1.00 0.00 H new ATOM 0 HD11 ILE A 39 86.947 -11.229 -18.524 1.00 0.00 H new ATOM 0 HD12 ILE A 39 88.205 -10.106 -17.954 1.00 0.00 H new ATOM 0 HD13 ILE A 39 86.740 -10.370 -16.979 1.00 0.00 H new ATOM 259 N ALA A 40 88.089 -5.600 -19.759 1.00 0.00 N ATOM 260 CA ALA A 40 88.308 -4.978 -21.060 1.00 0.00 C ATOM 261 C ALA A 40 89.795 -4.739 -21.308 1.00 0.00 C ATOM 262 O ALA A 40 90.271 -4.829 -22.439 1.00 0.00 O ATOM 263 CB ALA A 40 87.555 -3.649 -21.129 1.00 0.00 C ATOM 0 H ALA A 40 87.654 -4.993 -19.065 1.00 0.00 H new ATOM 0 HA ALA A 40 87.935 -5.653 -21.830 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.721 -3.187 -22.102 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.489 -3.827 -20.989 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.918 -2.984 -20.345 1.00 0.00 H new ATOM 269 N TRP A 41 90.503 -4.420 -20.260 1.00 0.00 N ATOM 270 CA TRP A 41 91.933 -4.144 -20.359 1.00 0.00 C ATOM 271 C TRP A 41 92.653 -5.241 -21.139 1.00 0.00 C ATOM 272 O TRP A 41 93.567 -4.966 -21.916 1.00 0.00 O ATOM 273 CB TRP A 41 92.526 -4.043 -18.947 1.00 0.00 C ATOM 274 CG TRP A 41 93.852 -3.350 -18.990 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.958 -3.821 -19.611 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.233 -2.078 -18.387 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.986 -2.915 -19.443 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.591 -1.827 -18.693 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.541 -1.125 -17.617 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.239 -0.675 -18.252 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.192 0.036 -17.168 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.540 0.260 -17.486 1.00 0.00 C ATOM 0 H TRP A 41 90.122 -4.341 -19.317 1.00 0.00 H new ATOM 0 HA TRP A 41 92.069 -3.203 -20.892 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.843 -3.497 -18.296 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.642 -5.040 -18.522 1.00 0.00 H new ATOM 0 HD1 TRP A 41 95.026 -4.754 -20.150 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.923 -3.036 -19.827 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.502 -1.287 -17.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.276 -0.506 -18.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 93.652 0.760 -16.575 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.036 1.154 -17.139 1.00 0.00 H new ATOM 293 N THR A 42 92.236 -6.458 -20.939 1.00 0.00 N ATOM 294 CA THR A 42 92.854 -7.586 -21.631 1.00 0.00 C ATOM 295 C THR A 42 92.720 -7.448 -23.145 1.00 0.00 C ATOM 296 O THR A 42 93.564 -7.934 -23.897 1.00 0.00 O ATOM 297 CB THR A 42 92.213 -8.896 -21.173 1.00 0.00 C ATOM 298 OG1 THR A 42 90.800 -8.797 -21.282 1.00 0.00 O ATOM 299 CG2 THR A 42 92.599 -9.171 -19.719 1.00 0.00 C ATOM 0 H THR A 42 91.475 -6.709 -20.308 1.00 0.00 H new ATOM 0 HA THR A 42 93.915 -7.593 -21.382 1.00 0.00 H new ATOM 0 HB THR A 42 92.566 -9.713 -21.802 1.00 0.00 H new ATOM 0 HG1 THR A 42 90.448 -8.292 -20.520 1.00 0.00 H new ATOM 0 HG21 THR A 42 92.142 -10.105 -19.392 1.00 0.00 H new ATOM 0 HG22 THR A 42 93.683 -9.250 -19.639 1.00 0.00 H new ATOM 0 HG23 THR A 42 92.247 -8.355 -19.088 1.00 0.00 H new ATOM 307 N ILE A 43 91.674 -6.803 -23.582 1.00 0.00 N ATOM 308 CA ILE A 43 91.448 -6.623 -25.014 1.00 0.00 C ATOM 309 C ILE A 43 92.596 -5.848 -25.659 1.00 0.00 C ATOM 310 O ILE A 43 93.116 -6.250 -26.701 1.00 0.00 O ATOM 311 CB ILE A 43 90.136 -5.864 -25.252 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.956 -6.602 -24.575 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.891 -5.738 -26.760 1.00 0.00 C ATOM 314 CD1 ILE A 43 88.414 -7.728 -25.471 1.00 0.00 C ATOM 0 H ILE A 43 90.960 -6.390 -22.982 1.00 0.00 H new ATOM 0 HA ILE A 43 91.391 -7.612 -25.468 1.00 0.00 H new ATOM 0 HB ILE A 43 90.211 -4.869 -24.814 1.00 0.00 H new ATOM 0 HG12 ILE A 43 89.283 -7.018 -23.622 1.00 0.00 H new ATOM 0 HG13 ILE A 43 88.158 -5.893 -24.356 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.960 -5.199 -26.934 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.716 -5.193 -27.218 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.823 -6.732 -27.202 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.586 -8.227 -24.967 1.00 0.00 H new ATOM 0 HD12 ILE A 43 88.064 -7.307 -26.413 1.00 0.00 H new ATOM 0 HD13 ILE A 43 89.207 -8.450 -25.668 1.00 0.00 H new ATOM 326 N GLY A 44 92.965 -4.747 -25.062 1.00 0.00 N ATOM 327 CA GLY A 44 94.035 -3.910 -25.605 1.00 0.00 C ATOM 328 C GLY A 44 95.277 -4.726 -25.958 1.00 0.00 C ATOM 329 O GLY A 44 96.000 -4.388 -26.895 1.00 0.00 O ATOM 0 H GLY A 44 92.549 -4.397 -24.199 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.675 -3.394 -26.495 1.00 0.00 H new ATOM 0 HA3 GLY A 44 94.300 -3.143 -24.877 1.00 0.00 H new ATOM 333 N HIS A 45 95.525 -5.771 -25.219 1.00 0.00 N ATOM 334 CA HIS A 45 96.690 -6.614 -25.463 1.00 0.00 C ATOM 335 C HIS A 45 96.795 -7.005 -26.934 1.00 0.00 C ATOM 336 O HIS A 45 97.885 -7.285 -27.434 1.00 0.00 O ATOM 337 CB HIS A 45 96.600 -7.875 -24.602 1.00 0.00 C ATOM 338 CG HIS A 45 97.918 -8.598 -24.630 1.00 0.00 C ATOM 339 ND1 HIS A 45 99.212 -8.151 -24.527 1.00 0.00 N flip ATOM 340 CD2 HIS A 45 98.003 -9.974 -24.775 1.00 0.00 C flip ATOM 341 CE1 HIS A 45 100.088 -9.229 -24.610 1.00 0.00 C flip ATOM 342 NE2 HIS A 45 99.308 -10.303 -24.758 1.00 0.00 N flip ATOM 0 H HIS A 45 94.942 -6.070 -24.438 1.00 0.00 H new ATOM 0 HA HIS A 45 97.582 -6.046 -25.199 1.00 0.00 H new ATOM 0 HB2 HIS A 45 96.340 -7.610 -23.577 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.808 -8.526 -24.973 1.00 0.00 H new ATOM 0 HD2 HIS A 45 97.174 -10.657 -24.882 1.00 0.00 H new ATOM 0 HE1 HIS A 45 101.167 -9.203 -24.565 1.00 0.00 H new ATOM 0 HE2 HIS A 45 99.659 -11.257 -24.847 1.00 0.00 H new ATOM 351 N LEU A 46 95.675 -7.070 -27.594 1.00 0.00 N ATOM 352 CA LEU A 46 95.653 -7.485 -28.992 1.00 0.00 C ATOM 353 C LEU A 46 96.744 -6.776 -29.797 1.00 0.00 C ATOM 354 O LEU A 46 97.387 -7.389 -30.648 1.00 0.00 O ATOM 355 CB LEU A 46 94.272 -7.199 -29.603 1.00 0.00 C ATOM 356 CG LEU A 46 94.093 -5.681 -29.869 1.00 0.00 C ATOM 357 CD1 LEU A 46 94.662 -5.275 -31.259 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.596 -5.328 -29.794 1.00 0.00 C ATOM 0 H LEU A 46 94.761 -6.845 -27.201 1.00 0.00 H new ATOM 0 HA LEU A 46 95.848 -8.557 -29.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.160 -7.752 -30.535 1.00 0.00 H new ATOM 0 HB3 LEU A 46 93.491 -7.550 -28.928 1.00 0.00 H new ATOM 0 HG LEU A 46 94.647 -5.130 -29.109 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.520 -4.205 -31.412 1.00 0.00 H new ATOM 0 HD12 LEU A 46 95.726 -5.509 -31.299 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.140 -5.826 -32.041 1.00 0.00 H new ATOM 0 HD21 LEU A 46 92.464 -4.262 -29.980 1.00 0.00 H new ATOM 0 HD22 LEU A 46 92.050 -5.898 -30.545 1.00 0.00 H new ATOM 0 HD23 LEU A 46 92.213 -5.573 -28.803 1.00 0.00 H new ATOM 370 N ASN A 47 96.947 -5.512 -29.551 1.00 0.00 N ATOM 371 CA ASN A 47 97.966 -4.769 -30.290 1.00 0.00 C ATOM 372 C ASN A 47 99.345 -5.430 -30.165 1.00 0.00 C ATOM 373 O ASN A 47 100.077 -5.538 -31.150 1.00 0.00 O ATOM 374 CB ASN A 47 98.049 -3.332 -29.771 1.00 0.00 C ATOM 375 CG ASN A 47 98.917 -2.493 -30.703 1.00 0.00 C ATOM 376 OD1 ASN A 47 98.414 -1.429 -31.266 1.00 0.00 O flip ATOM 377 ND2 ASN A 47 100.085 -2.815 -30.924 1.00 0.00 N flip ATOM 0 H ASN A 47 96.435 -4.968 -28.857 1.00 0.00 H new ATOM 0 HA ASN A 47 97.676 -4.769 -31.341 1.00 0.00 H new ATOM 0 HB2 ASN A 47 97.050 -2.902 -29.705 1.00 0.00 H new ATOM 0 HB3 ASN A 47 98.467 -3.323 -28.764 1.00 0.00 H new ATOM 0 HD21 ASN A 47 100.477 -3.647 -30.483 1.00 0.00 H new ATOM 0 HD22 ASN A 47 100.661 -2.250 -31.548 1.00 0.00 H new ATOM 384 N GLN A 48 99.694 -5.845 -28.974 1.00 0.00 N ATOM 385 CA GLN A 48 100.980 -6.467 -28.728 1.00 0.00 C ATOM 386 C GLN A 48 101.101 -7.799 -29.477 1.00 0.00 C ATOM 387 O GLN A 48 101.994 -7.980 -30.304 1.00 0.00 O ATOM 388 CB GLN A 48 101.131 -6.679 -27.199 1.00 0.00 C ATOM 389 CG GLN A 48 102.050 -5.615 -26.563 1.00 0.00 C ATOM 390 CD GLN A 48 102.556 -6.091 -25.204 1.00 0.00 C ATOM 391 OE1 GLN A 48 103.783 -5.824 -24.848 1.00 0.00 O flip ATOM 392 NE2 GLN A 48 101.817 -6.721 -24.450 1.00 0.00 N flip ATOM 0 H GLN A 48 99.101 -5.764 -28.148 1.00 0.00 H new ATOM 0 HA GLN A 48 101.777 -5.821 -29.095 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.149 -6.640 -26.728 1.00 0.00 H new ATOM 0 HB3 GLN A 48 101.537 -7.672 -27.008 1.00 0.00 H new ATOM 0 HG2 GLN A 48 102.894 -5.414 -27.222 1.00 0.00 H new ATOM 0 HG3 GLN A 48 101.506 -4.678 -26.447 1.00 0.00 H new ATOM 0 HE21 GLN A 48 100.859 -6.928 -24.731 1.00 0.00 H new ATOM 0 HE22 GLN A 48 102.162 -7.036 -23.544 1.00 0.00 H new ATOM 401 N ILE A 49 100.213 -8.698 -29.187 1.00 0.00 N ATOM 402 CA ILE A 49 100.226 -10.011 -29.842 1.00 0.00 C ATOM 403 C ILE A 49 100.115 -9.863 -31.375 1.00 0.00 C ATOM 404 O ILE A 49 100.925 -10.418 -32.116 1.00 0.00 O ATOM 405 CB ILE A 49 99.098 -10.906 -29.273 1.00 0.00 C ATOM 406 CG1 ILE A 49 97.773 -10.679 -30.023 1.00 0.00 C ATOM 407 CG2 ILE A 49 98.899 -10.570 -27.790 1.00 0.00 C ATOM 408 CD1 ILE A 49 96.631 -11.400 -29.297 1.00 0.00 C ATOM 0 H ILE A 49 99.464 -8.568 -28.507 1.00 0.00 H new ATOM 0 HA ILE A 49 101.179 -10.497 -29.631 1.00 0.00 H new ATOM 0 HB ILE A 49 99.387 -11.950 -29.397 1.00 0.00 H new ATOM 0 HG12 ILE A 49 97.559 -9.612 -30.086 1.00 0.00 H new ATOM 0 HG13 ILE A 49 97.856 -11.048 -31.045 1.00 0.00 H new ATOM 0 HG21 ILE A 49 98.106 -11.195 -27.379 1.00 0.00 H new ATOM 0 HG22 ILE A 49 99.826 -10.756 -27.247 1.00 0.00 H new ATOM 0 HG23 ILE A 49 98.623 -9.520 -27.689 1.00 0.00 H new ATOM 0 HD11 ILE A 49 95.697 -11.235 -29.834 1.00 0.00 H new ATOM 0 HD12 ILE A 49 96.842 -12.469 -29.257 1.00 0.00 H new ATOM 0 HD13 ILE A 49 96.541 -11.010 -28.283 1.00 0.00 H new ATOM 420 N LYS A 50 99.129 -9.125 -31.827 1.00 0.00 N ATOM 421 CA LYS A 50 98.924 -8.909 -33.256 1.00 0.00 C ATOM 422 C LYS A 50 100.226 -8.489 -33.932 1.00 0.00 C ATOM 423 O LYS A 50 100.853 -9.281 -34.637 1.00 0.00 O ATOM 424 CB LYS A 50 97.857 -7.826 -33.455 1.00 0.00 C ATOM 425 CG LYS A 50 97.677 -7.530 -34.946 1.00 0.00 C ATOM 426 CD LYS A 50 96.474 -6.600 -35.133 1.00 0.00 C ATOM 427 CE LYS A 50 96.436 -6.082 -36.574 1.00 0.00 C ATOM 428 NZ LYS A 50 96.628 -7.215 -37.522 1.00 0.00 N ATOM 0 H LYS A 50 98.448 -8.658 -31.229 1.00 0.00 H new ATOM 0 HA LYS A 50 98.591 -9.842 -33.711 1.00 0.00 H new ATOM 0 HB2 LYS A 50 96.911 -8.154 -33.025 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.148 -6.917 -32.929 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.577 -7.065 -35.348 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.524 -8.458 -35.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 95.551 -7.134 -34.905 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.539 -5.763 -34.438 1.00 0.00 H new ATOM 0 HE2 LYS A 50 95.483 -5.590 -36.769 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.216 -5.335 -36.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.259 -6.951 -38.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.642 -7.435 -37.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 96.118 -8.051 -37.172 1.00 0.00 H new ATOM 442 N ARG A 51 100.617 -7.262 -33.722 1.00 0.00 N ATOM 443 CA ARG A 51 101.844 -6.751 -34.322 1.00 0.00 C ATOM 444 C ARG A 51 103.067 -7.355 -33.642 1.00 0.00 C ATOM 445 O ARG A 51 103.097 -7.507 -32.420 1.00 0.00 O ATOM 446 CB ARG A 51 101.891 -5.228 -34.193 1.00 0.00 C ATOM 447 CG ARG A 51 100.735 -4.615 -34.982 1.00 0.00 C ATOM 448 CD ARG A 51 100.780 -3.093 -34.852 1.00 0.00 C ATOM 449 NE ARG A 51 99.607 -2.503 -35.484 1.00 0.00 N ATOM 450 CZ ARG A 51 98.448 -2.503 -34.884 1.00 0.00 C ATOM 451 NH1 ARG A 51 98.329 -3.034 -33.697 1.00 0.00 N ATOM 452 NH2 ARG A 51 97.409 -1.975 -35.472 1.00 0.00 N ATOM 0 H ARG A 51 100.113 -6.590 -33.143 1.00 0.00 H new ATOM 0 HA ARG A 51 101.853 -7.030 -35.376 1.00 0.00 H new ATOM 0 HB2 ARG A 51 101.824 -4.939 -33.144 1.00 0.00 H new ATOM 0 HB3 ARG A 51 102.842 -4.850 -34.567 1.00 0.00 H new ATOM 0 HG2 ARG A 51 100.803 -4.903 -36.031 1.00 0.00 H new ATOM 0 HG3 ARG A 51 99.784 -4.995 -34.608 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.817 -2.811 -33.800 1.00 0.00 H new ATOM 0 HD3 ARG A 51 101.687 -2.707 -35.317 1.00 0.00 H new ATOM 0 HE ARG A 51 99.693 -2.083 -36.410 1.00 0.00 H new ATOM 0 HH11 ARG A 51 99.141 -3.448 -33.240 1.00 0.00 H new ATOM 0 HH12 ARG A 51 97.424 -3.035 -33.227 1.00 0.00 H new ATOM 0 HH21 ARG A 51 97.503 -1.563 -36.400 1.00 0.00 H new ATOM 0 HH22 ARG A 51 96.503 -1.975 -35.003 1.00 0.00 H new ATOM 466 N GLY A 52 104.055 -7.686 -34.426 1.00 0.00 N ATOM 467 CA GLY A 52 105.280 -8.269 -33.893 1.00 0.00 C ATOM 468 C GLY A 52 106.178 -7.194 -33.290 1.00 0.00 C ATOM 0 H GLY A 52 104.047 -7.567 -35.439 1.00 0.00 H new ATOM 0 HA2 GLY A 52 105.034 -9.011 -33.133 1.00 0.00 H new ATOM 0 HA3 GLY A 52 105.814 -8.791 -34.687 1.00 0.00 H new TER 472 GLY A 52 ATOM 473 N SER B 23 81.763 14.585 6.197 1.00 0.00 N ATOM 474 CA SER B 23 82.350 15.822 5.611 1.00 0.00 C ATOM 475 C SER B 23 83.442 15.442 4.617 1.00 0.00 C ATOM 476 O SER B 23 83.509 14.302 4.156 1.00 0.00 O ATOM 477 CB SER B 23 82.941 16.682 6.727 1.00 0.00 C ATOM 478 OG SER B 23 83.521 17.851 6.161 1.00 0.00 O ATOM 0 HA SER B 23 81.574 16.388 5.095 1.00 0.00 H new ATOM 0 HB2 SER B 23 82.164 16.956 7.441 1.00 0.00 H new ATOM 0 HB3 SER B 23 83.694 16.118 7.277 1.00 0.00 H new ATOM 0 HG SER B 23 83.900 18.406 6.874 1.00 0.00 H new ATOM 483 N ASP B 24 84.284 16.389 4.304 1.00 0.00 N ATOM 484 CA ASP B 24 85.383 16.160 3.369 1.00 0.00 C ATOM 485 C ASP B 24 84.939 15.310 2.179 1.00 0.00 C ATOM 486 O ASP B 24 85.333 14.150 2.054 1.00 0.00 O ATOM 487 CB ASP B 24 86.538 15.462 4.090 1.00 0.00 C ATOM 488 CG ASP B 24 87.157 16.406 5.114 1.00 0.00 C ATOM 489 OD1 ASP B 24 86.563 16.581 6.165 1.00 0.00 O ATOM 490 OD2 ASP B 24 88.219 16.939 4.835 1.00 0.00 O ATOM 0 H ASP B 24 84.240 17.337 4.679 1.00 0.00 H new ATOM 0 HA ASP B 24 85.709 17.129 2.992 1.00 0.00 H new ATOM 0 HB2 ASP B 24 86.177 14.560 4.585 1.00 0.00 H new ATOM 0 HB3 ASP B 24 87.293 15.149 3.368 1.00 0.00 H new ATOM 495 N PRO B 25 84.145 15.868 1.300 1.00 0.00 N ATOM 496 CA PRO B 25 83.653 15.151 0.083 1.00 0.00 C ATOM 497 C PRO B 25 84.796 14.844 -0.894 1.00 0.00 C ATOM 498 O PRO B 25 84.590 14.791 -2.108 1.00 0.00 O ATOM 499 CB PRO B 25 82.627 16.130 -0.542 1.00 0.00 C ATOM 500 CG PRO B 25 82.364 17.171 0.508 1.00 0.00 C ATOM 501 CD PRO B 25 83.624 17.237 1.366 1.00 0.00 C ATOM 0 HA PRO B 25 83.215 14.182 0.324 1.00 0.00 H new ATOM 0 HB2 PRO B 25 83.022 16.583 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.709 15.611 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO B 25 82.152 18.138 0.053 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.496 16.905 1.111 1.00 0.00 H new ATOM 0 HD2 PRO B 25 84.340 17.960 0.975 1.00 0.00 H new ATOM 0 HD3 PRO B 25 83.399 17.533 2.390 1.00 0.00 H new ATOM 509 N LEU B 26 85.974 14.656 -0.364 1.00 0.00 N ATOM 510 CA LEU B 26 87.142 14.367 -1.191 1.00 0.00 C ATOM 511 C LEU B 26 87.060 12.964 -1.790 1.00 0.00 C ATOM 512 O LEU B 26 87.380 12.763 -2.961 1.00 0.00 O ATOM 513 CB LEU B 26 88.419 14.496 -0.344 1.00 0.00 C ATOM 514 CG LEU B 26 89.675 14.383 -1.229 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.857 15.657 -2.072 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.907 14.184 -0.331 1.00 0.00 C ATOM 0 H LEU B 26 86.163 14.695 0.638 1.00 0.00 H new ATOM 0 HA LEU B 26 87.168 15.086 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.420 15.454 0.177 1.00 0.00 H new ATOM 0 HB3 LEU B 26 88.435 13.718 0.419 1.00 0.00 H new ATOM 0 HG LEU B 26 89.560 13.533 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.749 15.559 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.985 15.798 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.966 16.518 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.800 14.103 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU B 26 91.008 15.036 0.342 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.788 13.272 0.254 1.00 0.00 H new ATOM 528 N VAL B 27 86.656 12.013 -0.993 1.00 0.00 N ATOM 529 CA VAL B 27 86.559 10.632 -1.453 1.00 0.00 C ATOM 530 C VAL B 27 85.411 10.451 -2.445 1.00 0.00 C ATOM 531 O VAL B 27 85.568 9.799 -3.476 1.00 0.00 O ATOM 532 CB VAL B 27 86.345 9.703 -0.256 1.00 0.00 C ATOM 533 CG1 VAL B 27 86.345 8.249 -0.730 1.00 0.00 C ATOM 534 CG2 VAL B 27 87.471 9.911 0.758 1.00 0.00 C ATOM 0 H VAL B 27 86.386 12.157 -0.020 1.00 0.00 H new ATOM 0 HA VAL B 27 87.491 10.382 -1.960 1.00 0.00 H new ATOM 0 HB VAL B 27 85.388 9.930 0.213 1.00 0.00 H new ATOM 0 HG11 VAL B 27 86.193 7.588 0.123 1.00 0.00 H new ATOM 0 HG12 VAL B 27 85.541 8.101 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL B 27 87.301 8.020 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL B 27 87.319 9.250 1.611 1.00 0.00 H new ATOM 0 HG22 VAL B 27 88.429 9.685 0.289 1.00 0.00 H new ATOM 0 HG23 VAL B 27 87.468 10.947 1.097 1.00 0.00 H new ATOM 544 N VAL B 28 84.279 11.015 -2.129 1.00 0.00 N ATOM 545 CA VAL B 28 83.115 10.902 -2.999 1.00 0.00 C ATOM 546 C VAL B 28 83.330 11.681 -4.293 1.00 0.00 C ATOM 547 O VAL B 28 83.018 11.195 -5.380 1.00 0.00 O ATOM 548 CB VAL B 28 81.868 11.417 -2.276 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.634 11.179 -3.149 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.709 10.667 -0.949 1.00 0.00 C ATOM 0 H VAL B 28 84.126 11.559 -1.280 1.00 0.00 H new ATOM 0 HA VAL B 28 82.973 9.851 -3.250 1.00 0.00 H new ATOM 0 HB VAL B 28 81.972 12.485 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.747 11.546 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL B 28 80.749 11.709 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.526 10.112 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.822 11.030 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.604 9.600 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL B 28 82.588 10.837 -0.327 1.00 0.00 H new ATOM 560 N ALA B 29 83.856 12.868 -4.170 1.00 0.00 N ATOM 561 CA ALA B 29 84.109 13.700 -5.342 1.00 0.00 C ATOM 562 C ALA B 29 84.864 12.901 -6.401 1.00 0.00 C ATOM 563 O ALA B 29 84.575 13.002 -7.592 1.00 0.00 O ATOM 564 CB ALA B 29 84.924 14.932 -4.946 1.00 0.00 C ATOM 0 H ALA B 29 84.121 13.291 -3.280 1.00 0.00 H new ATOM 0 HA ALA B 29 83.153 14.022 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.107 15.546 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.370 15.513 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA B 29 85.876 14.617 -4.519 1.00 0.00 H new ATOM 570 N ALA B 30 85.810 12.121 -5.958 1.00 0.00 N ATOM 571 CA ALA B 30 86.610 11.296 -6.860 1.00 0.00 C ATOM 572 C ALA B 30 85.717 10.413 -7.731 1.00 0.00 C ATOM 573 O ALA B 30 86.086 10.051 -8.847 1.00 0.00 O ATOM 574 CB ALA B 30 87.565 10.420 -6.050 1.00 0.00 C ATOM 0 H ALA B 30 86.058 12.030 -4.973 1.00 0.00 H new ATOM 0 HA ALA B 30 87.182 11.957 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.159 9.807 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.227 11.053 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.991 9.774 -5.385 1.00 0.00 H new ATOM 580 N SER B 31 84.567 10.070 -7.217 1.00 0.00 N ATOM 581 CA SER B 31 83.636 9.220 -7.954 1.00 0.00 C ATOM 582 C SER B 31 83.448 9.740 -9.376 1.00 0.00 C ATOM 583 O SER B 31 83.374 8.963 -10.326 1.00 0.00 O ATOM 584 CB SER B 31 82.282 9.183 -7.243 1.00 0.00 C ATOM 585 OG SER B 31 81.390 8.353 -7.975 1.00 0.00 O ATOM 0 H SER B 31 84.242 10.359 -6.294 1.00 0.00 H new ATOM 0 HA SER B 31 84.051 8.213 -7.996 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.401 8.803 -6.229 1.00 0.00 H new ATOM 0 HB3 SER B 31 81.874 10.190 -7.160 1.00 0.00 H new ATOM 0 HG SER B 31 80.522 8.326 -7.521 1.00 0.00 H new ATOM 591 N ILE B 32 83.364 11.034 -9.511 1.00 0.00 N ATOM 592 CA ILE B 32 83.174 11.640 -10.825 1.00 0.00 C ATOM 593 C ILE B 32 84.177 11.068 -11.827 1.00 0.00 C ATOM 594 O ILE B 32 83.858 10.875 -13.000 1.00 0.00 O ATOM 595 CB ILE B 32 83.348 13.165 -10.729 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.857 13.835 -12.030 1.00 0.00 C ATOM 597 CG2 ILE B 32 84.832 13.502 -10.508 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.328 13.985 -12.017 1.00 0.00 C ATOM 0 H ILE B 32 83.422 11.698 -8.739 1.00 0.00 H new ATOM 0 HA ILE B 32 82.165 11.413 -11.170 1.00 0.00 H new ATOM 0 HB ILE B 32 82.760 13.538 -9.890 1.00 0.00 H new ATOM 0 HG12 ILE B 32 83.323 14.814 -12.139 1.00 0.00 H new ATOM 0 HG13 ILE B 32 83.162 13.239 -12.890 1.00 0.00 H new ATOM 0 HG21 ILE B 32 84.953 14.583 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE B 32 85.176 13.039 -9.583 1.00 0.00 H new ATOM 0 HG23 ILE B 32 85.420 13.123 -11.344 1.00 0.00 H new ATOM 0 HD11 ILE B 32 81.001 14.459 -12.942 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.867 13.001 -11.931 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.030 14.601 -11.169 1.00 0.00 H new ATOM 610 N ILE B 33 85.368 10.810 -11.363 1.00 0.00 N ATOM 611 CA ILE B 33 86.416 10.264 -12.219 1.00 0.00 C ATOM 612 C ILE B 33 86.101 8.815 -12.595 1.00 0.00 C ATOM 613 O ILE B 33 86.501 8.343 -13.659 1.00 0.00 O ATOM 614 CB ILE B 33 87.784 10.341 -11.508 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.063 11.802 -11.088 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.900 9.852 -12.457 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.540 11.985 -10.716 1.00 0.00 C ATOM 0 H ILE B 33 85.650 10.965 -10.395 1.00 0.00 H new ATOM 0 HA ILE B 33 86.459 10.859 -13.131 1.00 0.00 H new ATOM 0 HB ILE B 33 87.765 9.704 -10.624 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.802 12.477 -11.903 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.433 12.069 -10.239 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.862 9.910 -11.948 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.704 8.820 -12.747 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.922 10.481 -13.347 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.716 13.020 -10.423 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.790 11.325 -9.885 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.165 11.740 -11.575 1.00 0.00 H new ATOM 629 N GLY B 34 85.408 8.118 -11.734 1.00 0.00 N ATOM 630 CA GLY B 34 85.077 6.721 -11.998 1.00 0.00 C ATOM 631 C GLY B 34 84.159 6.569 -13.209 1.00 0.00 C ATOM 632 O GLY B 34 84.436 5.768 -14.102 1.00 0.00 O ATOM 0 H GLY B 34 85.059 8.481 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY B 34 85.994 6.157 -12.165 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.594 6.291 -11.121 1.00 0.00 H new ATOM 636 N ILE B 35 83.081 7.306 -13.231 1.00 0.00 N ATOM 637 CA ILE B 35 82.136 7.213 -14.340 1.00 0.00 C ATOM 638 C ILE B 35 82.768 7.696 -15.644 1.00 0.00 C ATOM 639 O ILE B 35 82.525 7.127 -16.708 1.00 0.00 O ATOM 640 CB ILE B 35 80.870 8.023 -14.036 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.226 9.495 -13.803 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.197 7.464 -12.781 1.00 0.00 C ATOM 643 CD1 ILE B 35 79.950 10.290 -13.515 1.00 0.00 C ATOM 0 H ILE B 35 82.826 7.976 -12.506 1.00 0.00 H new ATOM 0 HA ILE B 35 81.864 6.164 -14.460 1.00 0.00 H new ATOM 0 HB ILE B 35 80.191 7.949 -14.886 1.00 0.00 H new ATOM 0 HG12 ILE B 35 81.919 9.584 -12.967 1.00 0.00 H new ATOM 0 HG13 ILE B 35 81.730 9.901 -14.680 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.297 8.039 -12.564 1.00 0.00 H new ATOM 0 HG22 ILE B 35 79.930 6.420 -12.946 1.00 0.00 H new ATOM 0 HG23 ILE B 35 80.884 7.534 -11.938 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.203 11.337 -13.349 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.272 10.211 -14.365 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.464 9.889 -12.625 1.00 0.00 H new ATOM 655 N LEU B 36 83.567 8.722 -15.560 1.00 0.00 N ATOM 656 CA LEU B 36 84.224 9.263 -16.744 1.00 0.00 C ATOM 657 C LEU B 36 85.094 8.182 -17.385 1.00 0.00 C ATOM 658 O LEU B 36 85.043 7.953 -18.594 1.00 0.00 O ATOM 659 CB LEU B 36 85.085 10.473 -16.336 1.00 0.00 C ATOM 660 CG LEU B 36 85.201 11.471 -17.495 1.00 0.00 C ATOM 661 CD1 LEU B 36 86.043 12.667 -17.043 1.00 0.00 C ATOM 662 CD2 LEU B 36 85.868 10.798 -18.702 1.00 0.00 C ATOM 0 H LEU B 36 83.787 9.209 -14.691 1.00 0.00 H new ATOM 0 HA LEU B 36 83.477 9.586 -17.469 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.643 10.964 -15.469 1.00 0.00 H new ATOM 0 HB3 LEU B 36 86.078 10.136 -16.039 1.00 0.00 H new ATOM 0 HG LEU B 36 84.206 11.808 -17.784 1.00 0.00 H new ATOM 0 HD11 LEU B 36 86.130 13.381 -17.862 1.00 0.00 H new ATOM 0 HD12 LEU B 36 85.563 13.149 -16.191 1.00 0.00 H new ATOM 0 HD13 LEU B 36 87.036 12.324 -16.754 1.00 0.00 H new ATOM 0 HD21 LEU B 36 85.946 11.514 -19.520 1.00 0.00 H new ATOM 0 HD22 LEU B 36 86.864 10.455 -18.423 1.00 0.00 H new ATOM 0 HD23 LEU B 36 85.268 9.946 -19.021 1.00 0.00 H new ATOM 674 N HIS B 37 85.880 7.544 -16.569 1.00 0.00 N ATOM 675 CA HIS B 37 86.781 6.493 -17.026 1.00 0.00 C ATOM 676 C HIS B 37 86.049 5.480 -17.908 1.00 0.00 C ATOM 677 O HIS B 37 86.538 5.112 -18.975 1.00 0.00 O ATOM 678 CB HIS B 37 87.361 5.789 -15.796 1.00 0.00 C ATOM 679 CG HIS B 37 88.425 4.808 -16.196 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.177 3.448 -16.292 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.755 4.969 -16.491 1.00 0.00 C ATOM 682 CE1 HIS B 37 89.333 2.848 -16.628 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.327 3.729 -16.763 1.00 0.00 N ATOM 0 H HIS B 37 85.925 7.727 -15.567 1.00 0.00 H new ATOM 0 HA HIS B 37 87.576 6.937 -17.624 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.779 6.528 -15.112 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.566 5.272 -15.259 1.00 0.00 H new ATOM 0 HD2 HIS B 37 90.279 5.913 -16.509 1.00 0.00 H new ATOM 0 HE1 HIS B 37 89.444 1.783 -16.771 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.297 3.535 -17.012 1.00 0.00 H new ATOM 692 N PHE B 38 84.901 5.045 -17.467 1.00 0.00 N ATOM 693 CA PHE B 38 84.117 4.077 -18.232 1.00 0.00 C ATOM 694 C PHE B 38 83.573 4.705 -19.511 1.00 0.00 C ATOM 695 O PHE B 38 83.531 4.060 -20.558 1.00 0.00 O ATOM 696 CB PHE B 38 82.954 3.554 -17.385 1.00 0.00 C ATOM 697 CG PHE B 38 82.124 2.592 -18.203 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.433 1.226 -18.205 1.00 0.00 C ATOM 699 CD2 PHE B 38 81.042 3.066 -18.957 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.661 0.335 -18.961 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.271 2.174 -19.713 1.00 0.00 C ATOM 702 CZ PHE B 38 80.581 0.809 -19.714 1.00 0.00 C ATOM 0 H PHE B 38 84.477 5.336 -16.586 1.00 0.00 H new ATOM 0 HA PHE B 38 84.773 3.249 -18.501 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.335 3.055 -16.494 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.336 4.385 -17.045 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.266 0.860 -17.624 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.803 4.119 -18.955 1.00 0.00 H new ATOM 0 HE1 PHE B 38 81.899 -0.718 -18.963 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.438 2.539 -20.295 1.00 0.00 H new ATOM 0 HZ PHE B 38 79.986 0.121 -20.296 1.00 0.00 H new ATOM 712 N ILE B 39 83.154 5.935 -19.420 1.00 0.00 N ATOM 713 CA ILE B 39 82.601 6.625 -20.579 1.00 0.00 C ATOM 714 C ILE B 39 83.637 6.739 -21.695 1.00 0.00 C ATOM 715 O ILE B 39 83.328 6.474 -22.852 1.00 0.00 O ATOM 716 CB ILE B 39 82.099 8.017 -20.171 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.846 7.855 -19.304 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.750 8.836 -21.420 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.475 9.199 -18.673 1.00 0.00 C ATOM 0 H ILE B 39 83.179 6.490 -18.564 1.00 0.00 H new ATOM 0 HA ILE B 39 81.762 6.041 -20.958 1.00 0.00 H new ATOM 0 HB ILE B 39 82.878 8.536 -19.613 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.018 7.487 -19.910 1.00 0.00 H new ATOM 0 HG13 ILE B 39 81.025 7.114 -18.525 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.395 9.822 -21.121 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.637 8.944 -22.044 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.970 8.325 -21.984 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.583 9.078 -18.058 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.300 9.550 -18.052 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.277 9.928 -19.459 1.00 0.00 H new ATOM 731 N ALA B 40 84.835 7.134 -21.365 1.00 0.00 N ATOM 732 CA ALA B 40 85.873 7.280 -22.378 1.00 0.00 C ATOM 733 C ALA B 40 86.226 5.929 -22.992 1.00 0.00 C ATOM 734 O ALA B 40 86.443 5.820 -24.199 1.00 0.00 O ATOM 735 CB ALA B 40 87.121 7.899 -21.749 1.00 0.00 C ATOM 0 H ALA B 40 85.127 7.362 -20.415 1.00 0.00 H new ATOM 0 HA ALA B 40 85.497 7.931 -23.167 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.896 8.007 -22.508 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.874 8.879 -21.340 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.484 7.253 -20.950 1.00 0.00 H new ATOM 741 N TRP B 41 86.300 4.924 -22.163 1.00 0.00 N ATOM 742 CA TRP B 41 86.652 3.586 -22.623 1.00 0.00 C ATOM 743 C TRP B 41 85.823 3.209 -23.846 1.00 0.00 C ATOM 744 O TRP B 41 86.296 2.504 -24.737 1.00 0.00 O ATOM 745 CB TRP B 41 86.394 2.578 -21.494 1.00 0.00 C ATOM 746 CG TRP B 41 87.131 1.303 -21.762 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.864 0.442 -22.772 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.242 0.725 -21.016 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.752 -0.616 -22.705 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.619 -0.488 -21.639 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.956 1.134 -19.875 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.663 -1.267 -21.148 1.00 0.00 C ATOM 753 CZ3 TRP B 41 90.008 0.348 -19.376 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.361 -0.849 -20.013 1.00 0.00 C ATOM 0 H TRP B 41 86.123 4.995 -21.161 1.00 0.00 H new ATOM 0 HA TRP B 41 87.707 3.571 -22.898 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.714 2.998 -20.541 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.326 2.379 -21.411 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.085 0.562 -23.510 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.765 -1.395 -23.363 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.694 2.057 -19.380 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.932 -2.189 -21.642 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.547 0.668 -18.497 1.00 0.00 H new ATOM 0 HH2 TRP B 41 91.172 -1.448 -19.626 1.00 0.00 H new ATOM 765 N THR B 42 84.615 3.687 -23.887 1.00 0.00 N ATOM 766 CA THR B 42 83.729 3.399 -25.010 1.00 0.00 C ATOM 767 C THR B 42 84.400 3.727 -26.344 1.00 0.00 C ATOM 768 O THR B 42 84.385 2.915 -27.269 1.00 0.00 O ATOM 769 CB THR B 42 82.436 4.206 -24.888 1.00 0.00 C ATOM 770 OG1 THR B 42 82.740 5.593 -24.916 1.00 0.00 O ATOM 771 CG2 THR B 42 81.732 3.856 -23.575 1.00 0.00 C ATOM 0 H THR B 42 84.207 4.279 -23.164 1.00 0.00 H new ATOM 0 HA THR B 42 83.502 2.333 -24.984 1.00 0.00 H new ATOM 0 HB THR B 42 81.777 3.964 -25.722 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.758 5.943 -24.001 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.811 4.433 -23.491 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.496 2.792 -23.561 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.387 4.094 -22.737 1.00 0.00 H new ATOM 779 N ILE B 43 84.960 4.904 -26.446 1.00 0.00 N ATOM 780 CA ILE B 43 85.610 5.324 -27.687 1.00 0.00 C ATOM 781 C ILE B 43 86.806 4.434 -28.019 1.00 0.00 C ATOM 782 O ILE B 43 86.921 3.929 -29.134 1.00 0.00 O ATOM 783 CB ILE B 43 86.092 6.771 -27.556 1.00 0.00 C ATOM 784 CG1 ILE B 43 84.946 7.671 -27.068 1.00 0.00 C ATOM 785 CG2 ILE B 43 86.598 7.269 -28.913 1.00 0.00 C ATOM 786 CD1 ILE B 43 83.712 7.504 -27.962 1.00 0.00 C ATOM 0 H ILE B 43 84.986 5.595 -25.696 1.00 0.00 H new ATOM 0 HA ILE B 43 84.878 5.240 -28.490 1.00 0.00 H new ATOM 0 HB ILE B 43 86.903 6.809 -26.829 1.00 0.00 H new ATOM 0 HG12 ILE B 43 84.692 7.420 -26.038 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.267 8.713 -27.073 1.00 0.00 H new ATOM 0 HG21 ILE B 43 86.941 8.299 -28.818 1.00 0.00 H new ATOM 0 HG22 ILE B 43 87.424 6.641 -29.246 1.00 0.00 H new ATOM 0 HG23 ILE B 43 85.790 7.222 -29.643 1.00 0.00 H new ATOM 0 HD11 ILE B 43 82.911 8.149 -27.601 1.00 0.00 H new ATOM 0 HD12 ILE B 43 83.965 7.778 -28.986 1.00 0.00 H new ATOM 0 HD13 ILE B 43 83.381 6.466 -27.936 1.00 0.00 H new ATOM 798 N GLY B 44 87.684 4.261 -27.070 1.00 0.00 N ATOM 799 CA GLY B 44 88.878 3.445 -27.279 1.00 0.00 C ATOM 800 C GLY B 44 88.526 2.057 -27.803 1.00 0.00 C ATOM 801 O GLY B 44 89.315 1.432 -28.514 1.00 0.00 O ATOM 0 H GLY B 44 87.607 4.669 -26.138 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.541 3.944 -27.986 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.425 3.352 -26.341 1.00 0.00 H new ATOM 805 N HIS B 45 87.367 1.586 -27.443 1.00 0.00 N ATOM 806 CA HIS B 45 86.912 0.268 -27.858 1.00 0.00 C ATOM 807 C HIS B 45 86.818 0.175 -29.386 1.00 0.00 C ATOM 808 O HIS B 45 86.969 -0.901 -29.964 1.00 0.00 O ATOM 809 CB HIS B 45 85.537 0.013 -27.217 1.00 0.00 C ATOM 810 CG HIS B 45 85.305 -1.458 -27.004 1.00 0.00 C ATOM 811 ND1 HIS B 45 84.301 -1.928 -26.171 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.939 -2.572 -27.490 1.00 0.00 C ATOM 813 CE1 HIS B 45 84.362 -3.271 -26.179 1.00 0.00 C ATOM 814 NE2 HIS B 45 85.343 -3.717 -26.968 1.00 0.00 N ATOM 0 H HIS B 45 86.705 2.093 -26.856 1.00 0.00 H new ATOM 0 HA HIS B 45 87.626 -0.488 -27.531 1.00 0.00 H new ATOM 0 HB2 HIS B 45 85.474 0.536 -26.263 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.753 0.420 -27.856 1.00 0.00 H new ATOM 0 HD2 HIS B 45 86.774 -2.563 -28.174 1.00 0.00 H new ATOM 0 HE1 HIS B 45 83.699 -3.911 -25.616 1.00 0.00 H new ATOM 0 HE2 HIS B 45 85.600 -4.687 -27.149 1.00 0.00 H new ATOM 823 N LEU B 46 86.543 1.286 -30.016 1.00 0.00 N ATOM 824 CA LEU B 46 86.395 1.319 -31.469 1.00 0.00 C ATOM 825 C LEU B 46 87.559 0.608 -32.171 1.00 0.00 C ATOM 826 O LEU B 46 87.379 0.022 -33.239 1.00 0.00 O ATOM 827 CB LEU B 46 86.261 2.791 -31.941 1.00 0.00 C ATOM 828 CG LEU B 46 87.645 3.412 -32.265 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.079 3.074 -33.717 1.00 0.00 C ATOM 830 CD2 LEU B 46 87.580 4.941 -32.091 1.00 0.00 C ATOM 0 H LEU B 46 86.415 2.187 -29.556 1.00 0.00 H new ATOM 0 HA LEU B 46 85.489 0.777 -31.742 1.00 0.00 H new ATOM 0 HB2 LEU B 46 85.626 2.834 -32.826 1.00 0.00 H new ATOM 0 HB3 LEU B 46 85.769 3.379 -31.166 1.00 0.00 H new ATOM 0 HG LEU B 46 88.379 2.992 -31.577 1.00 0.00 H new ATOM 0 HD11 LEU B 46 89.052 3.521 -33.919 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.145 1.992 -33.835 1.00 0.00 H new ATOM 0 HD13 LEU B 46 87.345 3.471 -34.418 1.00 0.00 H new ATOM 0 HD21 LEU B 46 88.554 5.375 -32.319 1.00 0.00 H new ATOM 0 HD22 LEU B 46 86.832 5.353 -32.768 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.309 5.179 -31.062 1.00 0.00 H new ATOM 842 N ASN B 47 88.726 0.680 -31.600 1.00 0.00 N ATOM 843 CA ASN B 47 89.903 0.056 -32.206 1.00 0.00 C ATOM 844 C ASN B 47 89.789 -1.472 -32.281 1.00 0.00 C ATOM 845 O ASN B 47 90.045 -2.066 -33.329 1.00 0.00 O ATOM 846 CB ASN B 47 91.150 0.428 -31.403 1.00 0.00 C ATOM 847 CG ASN B 47 91.266 1.944 -31.297 1.00 0.00 C ATOM 848 OD1 ASN B 47 91.114 2.677 -32.366 1.00 0.00 O flip ATOM 849 ND2 ASN B 47 91.500 2.475 -30.211 1.00 0.00 N flip ATOM 0 H ASN B 47 88.905 1.160 -30.718 1.00 0.00 H new ATOM 0 HA ASN B 47 89.975 0.430 -33.227 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.096 -0.012 -30.407 1.00 0.00 H new ATOM 0 HB3 ASN B 47 92.038 0.019 -31.884 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.618 1.900 -29.377 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.575 3.490 -30.145 1.00 0.00 H new ATOM 856 N GLN B 48 89.441 -2.093 -31.188 1.00 0.00 N ATOM 857 CA GLN B 48 89.330 -3.526 -31.124 1.00 0.00 C ATOM 858 C GLN B 48 88.298 -4.064 -32.117 1.00 0.00 C ATOM 859 O GLN B 48 88.586 -4.974 -32.896 1.00 0.00 O ATOM 860 CB GLN B 48 88.946 -3.915 -29.685 1.00 0.00 C ATOM 861 CG GLN B 48 89.436 -2.864 -28.671 1.00 0.00 C ATOM 862 CD GLN B 48 90.942 -2.651 -28.808 1.00 0.00 C ATOM 863 OE1 GLN B 48 91.427 -2.275 -29.874 1.00 0.00 O ATOM 864 NE2 GLN B 48 91.715 -2.866 -27.780 1.00 0.00 N ATOM 0 H GLN B 48 89.225 -1.618 -30.312 1.00 0.00 H new ATOM 0 HA GLN B 48 90.288 -3.969 -31.397 1.00 0.00 H new ATOM 0 HB2 GLN B 48 87.863 -4.018 -29.611 1.00 0.00 H new ATOM 0 HB3 GLN B 48 89.376 -4.886 -29.442 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.913 -1.922 -28.834 1.00 0.00 H new ATOM 0 HG3 GLN B 48 89.199 -3.189 -27.658 1.00 0.00 H new ATOM 0 HE21 GLN B 48 91.313 -3.178 -26.896 1.00 0.00 H new ATOM 0 HE22 GLN B 48 92.722 -2.722 -27.860 1.00 0.00 H new ATOM 873 N ILE B 49 87.124 -3.510 -32.076 1.00 0.00 N ATOM 874 CA ILE B 49 86.051 -3.945 -32.974 1.00 0.00 C ATOM 875 C ILE B 49 86.500 -3.844 -34.437 1.00 0.00 C ATOM 876 O ILE B 49 86.665 -4.865 -35.104 1.00 0.00 O ATOM 877 CB ILE B 49 84.754 -3.139 -32.725 1.00 0.00 C ATOM 878 CG1 ILE B 49 83.738 -3.415 -33.849 1.00 0.00 C ATOM 879 CG2 ILE B 49 85.040 -1.634 -32.658 1.00 0.00 C ATOM 880 CD1 ILE B 49 82.376 -2.827 -33.472 1.00 0.00 C ATOM 0 H ILE B 49 86.867 -2.756 -31.439 1.00 0.00 H new ATOM 0 HA ILE B 49 85.830 -4.991 -32.761 1.00 0.00 H new ATOM 0 HB ILE B 49 84.341 -3.457 -31.768 1.00 0.00 H new ATOM 0 HG12 ILE B 49 84.088 -2.976 -34.784 1.00 0.00 H new ATOM 0 HG13 ILE B 49 83.648 -4.489 -34.015 1.00 0.00 H new ATOM 0 HG21 ILE B 49 84.109 -1.094 -32.482 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.736 -1.432 -31.844 1.00 0.00 H new ATOM 0 HG23 ILE B 49 85.478 -1.305 -33.600 1.00 0.00 H new ATOM 0 HD11 ILE B 49 81.661 -3.025 -34.270 1.00 0.00 H new ATOM 0 HD12 ILE B 49 82.025 -3.286 -32.548 1.00 0.00 H new ATOM 0 HD13 ILE B 49 82.471 -1.751 -33.329 1.00 0.00 H new ATOM 892 N LYS B 50 86.699 -2.642 -34.926 1.00 0.00 N ATOM 893 CA LYS B 50 87.135 -2.443 -36.313 1.00 0.00 C ATOM 894 C LYS B 50 88.226 -1.376 -36.381 1.00 0.00 C ATOM 895 O LYS B 50 88.525 -0.715 -35.388 1.00 0.00 O ATOM 896 CB LYS B 50 85.943 -2.034 -37.190 1.00 0.00 C ATOM 897 CG LYS B 50 85.528 -0.589 -36.888 1.00 0.00 C ATOM 898 CD LYS B 50 84.195 -0.291 -37.577 1.00 0.00 C ATOM 899 CE LYS B 50 83.762 1.140 -37.254 1.00 0.00 C ATOM 900 NZ LYS B 50 84.802 2.095 -37.729 1.00 0.00 N ATOM 0 H LYS B 50 86.570 -1.781 -34.395 1.00 0.00 H new ATOM 0 HA LYS B 50 87.542 -3.383 -36.686 1.00 0.00 H new ATOM 0 HB2 LYS B 50 86.208 -2.130 -38.243 1.00 0.00 H new ATOM 0 HB3 LYS B 50 85.103 -2.705 -37.010 1.00 0.00 H new ATOM 0 HG2 LYS B 50 85.435 -0.443 -35.812 1.00 0.00 H new ATOM 0 HG3 LYS B 50 86.294 0.102 -37.239 1.00 0.00 H new ATOM 0 HD2 LYS B 50 84.295 -0.417 -38.655 1.00 0.00 H new ATOM 0 HD3 LYS B 50 83.435 -0.997 -37.242 1.00 0.00 H new ATOM 0 HE2 LYS B 50 82.807 1.359 -37.732 1.00 0.00 H new ATOM 0 HE3 LYS B 50 83.614 1.252 -36.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 84.381 3.039 -37.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 85.574 2.141 -37.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 85.178 1.772 -38.643 1.00 0.00 H new ATOM 914 N ARG B 51 88.806 -1.222 -37.541 1.00 0.00 N ATOM 915 CA ARG B 51 89.867 -0.236 -37.741 1.00 0.00 C ATOM 916 C ARG B 51 89.892 0.230 -39.194 1.00 0.00 C ATOM 917 O ARG B 51 89.576 -0.535 -40.106 1.00 0.00 O ATOM 918 CB ARG B 51 91.220 -0.849 -37.373 1.00 0.00 C ATOM 919 CG ARG B 51 92.322 0.199 -37.538 1.00 0.00 C ATOM 920 CD ARG B 51 93.649 -0.370 -37.033 1.00 0.00 C ATOM 921 NE ARG B 51 93.619 -0.517 -35.581 1.00 0.00 N ATOM 922 CZ ARG B 51 93.850 0.498 -34.792 1.00 0.00 C ATOM 923 NH1 ARG B 51 94.111 1.672 -35.300 1.00 0.00 N ATOM 924 NH2 ARG B 51 93.821 0.339 -33.497 1.00 0.00 N ATOM 0 H ARG B 51 88.570 -1.763 -38.373 1.00 0.00 H new ATOM 0 HA ARG B 51 89.672 0.623 -37.099 1.00 0.00 H new ATOM 0 HB2 ARG B 51 91.199 -1.210 -36.345 1.00 0.00 H new ATOM 0 HB3 ARG B 51 91.425 -1.710 -38.009 1.00 0.00 H new ATOM 0 HG2 ARG B 51 92.412 0.485 -38.586 1.00 0.00 H new ATOM 0 HG3 ARG B 51 92.066 1.101 -36.982 1.00 0.00 H new ATOM 0 HD2 ARG B 51 93.838 -1.337 -37.499 1.00 0.00 H new ATOM 0 HD3 ARG B 51 94.468 0.289 -37.322 1.00 0.00 H new ATOM 0 HE ARG B 51 93.414 -1.430 -35.175 1.00 0.00 H new ATOM 0 HH11 ARG B 51 94.134 1.796 -36.312 1.00 0.00 H new ATOM 0 HH12 ARG B 51 94.292 2.465 -34.685 1.00 0.00 H new ATOM 0 HH21 ARG B 51 93.618 -0.578 -33.100 1.00 0.00 H new ATOM 0 HH22 ARG B 51 94.002 1.132 -32.882 1.00 0.00 H new ATOM 938 N GLY B 52 90.261 1.464 -39.398 1.00 0.00 N ATOM 939 CA GLY B 52 90.322 2.022 -40.744 1.00 0.00 C ATOM 940 C GLY B 52 89.046 1.716 -41.520 1.00 0.00 C ATOM 0 H GLY B 52 90.527 2.113 -38.657 1.00 0.00 H new ATOM 0 HA2 GLY B 52 90.468 3.101 -40.688 1.00 0.00 H new ATOM 0 HA3 GLY B 52 91.181 1.611 -41.273 1.00 0.00 H new TER 944 GLY B 52 ATOM 945 N SER C 23 94.216 8.356 11.381 1.00 0.00 N ATOM 946 CA SER C 23 95.414 8.136 10.523 1.00 0.00 C ATOM 947 C SER C 23 95.098 7.074 9.475 1.00 0.00 C ATOM 948 O SER C 23 95.031 5.885 9.784 1.00 0.00 O ATOM 949 CB SER C 23 96.586 7.683 11.395 1.00 0.00 C ATOM 950 OG SER C 23 96.698 8.550 12.516 1.00 0.00 O ATOM 0 HA SER C 23 95.683 9.064 10.019 1.00 0.00 H new ATOM 0 HB2 SER C 23 96.431 6.657 11.728 1.00 0.00 H new ATOM 0 HB3 SER C 23 97.510 7.695 10.817 1.00 0.00 H new ATOM 0 HG SER C 23 95.805 8.843 12.794 1.00 0.00 H new ATOM 955 N ASP C 24 94.913 7.506 8.256 1.00 0.00 N ATOM 956 CA ASP C 24 94.606 6.589 7.164 1.00 0.00 C ATOM 957 C ASP C 24 94.619 7.322 5.824 1.00 0.00 C ATOM 958 O ASP C 24 93.610 7.363 5.118 1.00 0.00 O ATOM 959 CB ASP C 24 93.232 5.951 7.385 1.00 0.00 C ATOM 960 CG ASP C 24 93.003 4.838 6.368 1.00 0.00 C ATOM 961 OD1 ASP C 24 93.684 3.830 6.460 1.00 0.00 O ATOM 962 OD2 ASP C 24 92.149 5.009 5.514 1.00 0.00 O ATOM 0 H ASP C 24 94.967 8.487 7.983 1.00 0.00 H new ATOM 0 HA ASP C 24 95.369 5.811 7.146 1.00 0.00 H new ATOM 0 HB2 ASP C 24 93.167 5.550 8.396 1.00 0.00 H new ATOM 0 HB3 ASP C 24 92.452 6.707 7.291 1.00 0.00 H new ATOM 967 N PRO C 25 95.738 7.897 5.464 1.00 0.00 N ATOM 968 CA PRO C 25 95.888 8.643 4.180 1.00 0.00 C ATOM 969 C PRO C 25 96.050 7.702 2.985 1.00 0.00 C ATOM 970 O PRO C 25 96.463 8.120 1.904 1.00 0.00 O ATOM 971 CB PRO C 25 97.156 9.473 4.410 1.00 0.00 C ATOM 972 CG PRO C 25 97.982 8.646 5.344 1.00 0.00 C ATOM 973 CD PRO C 25 96.989 7.899 6.245 1.00 0.00 C ATOM 0 HA PRO C 25 95.013 9.246 3.939 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.683 9.660 3.474 1.00 0.00 H new ATOM 0 HB3 PRO C 25 96.921 10.445 4.843 1.00 0.00 H new ATOM 0 HG2 PRO C 25 98.610 7.946 4.793 1.00 0.00 H new ATOM 0 HG3 PRO C 25 98.648 9.274 5.935 1.00 0.00 H new ATOM 0 HD2 PRO C 25 97.328 6.886 6.460 1.00 0.00 H new ATOM 0 HD3 PRO C 25 96.862 8.402 7.203 1.00 0.00 H new ATOM 981 N LEU C 26 95.727 6.454 3.188 1.00 0.00 N ATOM 982 CA LEU C 26 95.837 5.462 2.123 1.00 0.00 C ATOM 983 C LEU C 26 94.779 5.701 1.046 1.00 0.00 C ATOM 984 O LEU C 26 95.054 5.567 -0.146 1.00 0.00 O ATOM 985 CB LEU C 26 95.672 4.045 2.698 1.00 0.00 C ATOM 986 CG LEU C 26 96.978 3.582 3.353 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.274 4.443 4.583 1.00 0.00 C ATOM 988 CD2 LEU C 26 96.834 2.118 3.780 1.00 0.00 C ATOM 0 H LEU C 26 95.384 6.088 4.076 1.00 0.00 H new ATOM 0 HA LEU C 26 96.825 5.558 1.673 1.00 0.00 H new ATOM 0 HB2 LEU C 26 94.866 4.034 3.431 1.00 0.00 H new ATOM 0 HB3 LEU C 26 95.390 3.353 1.904 1.00 0.00 H new ATOM 0 HG LEU C 26 97.797 3.681 2.640 1.00 0.00 H new ATOM 0 HD11 LEU C 26 98.203 4.110 5.045 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.372 5.486 4.282 1.00 0.00 H new ATOM 0 HD13 LEU C 26 96.458 4.347 5.299 1.00 0.00 H new ATOM 0 HD21 LEU C 26 97.760 1.782 4.247 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.014 2.026 4.492 1.00 0.00 H new ATOM 0 HD23 LEU C 26 96.625 1.503 2.905 1.00 0.00 H new ATOM 1000 N VAL C 27 93.589 6.036 1.467 1.00 0.00 N ATOM 1001 CA VAL C 27 92.496 6.274 0.530 1.00 0.00 C ATOM 1002 C VAL C 27 92.714 7.560 -0.265 1.00 0.00 C ATOM 1003 O VAL C 27 92.530 7.585 -1.482 1.00 0.00 O ATOM 1004 CB VAL C 27 91.173 6.365 1.294 1.00 0.00 C ATOM 1005 CG1 VAL C 27 90.019 6.503 0.301 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.980 5.096 2.129 1.00 0.00 C ATOM 0 H VAL C 27 93.340 6.153 2.449 1.00 0.00 H new ATOM 0 HA VAL C 27 92.465 5.440 -0.171 1.00 0.00 H new ATOM 0 HB VAL C 27 91.191 7.234 1.951 1.00 0.00 H new ATOM 0 HG11 VAL C 27 89.077 6.568 0.845 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.157 7.406 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL C 27 89.999 5.634 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL C 27 90.038 5.159 2.674 1.00 0.00 H new ATOM 0 HG22 VAL C 27 90.961 4.227 1.471 1.00 0.00 H new ATOM 0 HG23 VAL C 27 91.803 4.998 2.837 1.00 0.00 H new ATOM 1016 N VAL C 28 93.092 8.607 0.417 1.00 0.00 N ATOM 1017 CA VAL C 28 93.322 9.889 -0.241 1.00 0.00 C ATOM 1018 C VAL C 28 94.525 9.808 -1.179 1.00 0.00 C ATOM 1019 O VAL C 28 94.477 10.287 -2.310 1.00 0.00 O ATOM 1020 CB VAL C 28 93.554 10.983 0.804 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.819 12.316 0.101 1.00 0.00 C ATOM 1022 CG2 VAL C 28 92.313 11.112 1.691 1.00 0.00 C ATOM 0 H VAL C 28 93.250 8.610 1.425 1.00 0.00 H new ATOM 0 HA VAL C 28 92.438 10.134 -0.829 1.00 0.00 H new ATOM 0 HB VAL C 28 94.415 10.720 1.418 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.984 13.094 0.846 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.703 12.225 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.959 12.580 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL C 28 92.477 11.891 2.436 1.00 0.00 H new ATOM 0 HG22 VAL C 28 91.452 11.374 1.076 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.125 10.163 2.194 1.00 0.00 H new ATOM 1032 N ALA C 29 95.585 9.220 -0.703 1.00 0.00 N ATOM 1033 CA ALA C 29 96.798 9.092 -1.505 1.00 0.00 C ATOM 1034 C ALA C 29 96.516 8.342 -2.802 1.00 0.00 C ATOM 1035 O ALA C 29 96.982 8.737 -3.869 1.00 0.00 O ATOM 1036 CB ALA C 29 97.877 8.356 -0.710 1.00 0.00 C ATOM 0 H ALA C 29 95.648 8.818 0.232 1.00 0.00 H new ATOM 0 HA ALA C 29 97.149 10.094 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.778 8.265 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA C 29 98.105 8.915 0.197 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.518 7.362 -0.443 1.00 0.00 H new ATOM 1042 N ALA C 30 95.777 7.274 -2.705 1.00 0.00 N ATOM 1043 CA ALA C 30 95.450 6.468 -3.878 1.00 0.00 C ATOM 1044 C ALA C 30 94.609 7.261 -4.881 1.00 0.00 C ATOM 1045 O ALA C 30 94.665 7.010 -6.085 1.00 0.00 O ATOM 1046 CB ALA C 30 94.686 5.214 -3.448 1.00 0.00 C ATOM 0 H ALA C 30 95.382 6.929 -1.830 1.00 0.00 H new ATOM 0 HA ALA C 30 96.384 6.184 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA C 30 94.444 4.616 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA C 30 95.304 4.627 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.765 5.504 -2.942 1.00 0.00 H new ATOM 1052 N SER C 31 93.837 8.189 -4.385 1.00 0.00 N ATOM 1053 CA SER C 31 92.978 8.999 -5.249 1.00 0.00 C ATOM 1054 C SER C 31 93.779 9.652 -6.374 1.00 0.00 C ATOM 1055 O SER C 31 93.322 9.712 -7.516 1.00 0.00 O ATOM 1056 CB SER C 31 92.283 10.087 -4.430 1.00 0.00 C ATOM 1057 OG SER C 31 91.339 10.762 -5.253 1.00 0.00 O ATOM 0 H SER C 31 93.775 8.413 -3.392 1.00 0.00 H new ATOM 0 HA SER C 31 92.234 8.336 -5.690 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.782 9.646 -3.568 1.00 0.00 H new ATOM 0 HB3 SER C 31 93.018 10.794 -4.044 1.00 0.00 H new ATOM 0 HG SER C 31 90.890 11.460 -4.731 1.00 0.00 H new ATOM 1063 N ILE C 32 94.945 10.140 -6.052 1.00 0.00 N ATOM 1064 CA ILE C 32 95.792 10.798 -7.045 1.00 0.00 C ATOM 1065 C ILE C 32 95.941 9.938 -8.301 1.00 0.00 C ATOM 1066 O ILE C 32 96.143 10.453 -9.400 1.00 0.00 O ATOM 1067 CB ILE C 32 97.178 11.081 -6.443 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.902 12.126 -7.298 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.014 9.787 -6.392 1.00 0.00 C ATOM 1070 CD1 ILE C 32 99.264 12.436 -6.677 1.00 0.00 C ATOM 0 H ILE C 32 95.343 10.101 -5.113 1.00 0.00 H new ATOM 0 HA ILE C 32 95.316 11.737 -7.328 1.00 0.00 H new ATOM 0 HB ILE C 32 97.052 11.459 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.030 11.755 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.305 13.035 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.993 10.003 -5.964 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.503 9.048 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.138 9.394 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE C 32 99.780 13.179 -7.284 1.00 0.00 H new ATOM 0 HD12 ILE C 32 99.124 12.825 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE C 32 99.860 11.525 -6.635 1.00 0.00 H new ATOM 1082 N ILE C 33 95.859 8.652 -8.120 1.00 0.00 N ATOM 1083 CA ILE C 33 96.003 7.712 -9.227 1.00 0.00 C ATOM 1084 C ILE C 33 94.870 7.877 -10.241 1.00 0.00 C ATOM 1085 O ILE C 33 95.086 7.737 -11.446 1.00 0.00 O ATOM 1086 CB ILE C 33 96.026 6.265 -8.691 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.175 6.113 -7.674 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.237 5.274 -9.853 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.383 4.635 -7.327 1.00 0.00 C ATOM 0 H ILE C 33 95.692 8.214 -7.214 1.00 0.00 H new ATOM 0 HA ILE C 33 96.945 7.924 -9.733 1.00 0.00 H new ATOM 0 HB ILE C 33 95.074 6.049 -8.206 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.094 6.530 -8.087 1.00 0.00 H new ATOM 0 HG13 ILE C 33 96.947 6.678 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.252 4.256 -9.465 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.423 5.377 -10.571 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.185 5.488 -10.346 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.197 4.541 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.468 4.231 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.632 4.080 -8.232 1.00 0.00 H new ATOM 1101 N GLY C 34 93.687 8.141 -9.765 1.00 0.00 N ATOM 1102 CA GLY C 34 92.539 8.283 -10.654 1.00 0.00 C ATOM 1103 C GLY C 34 92.685 9.464 -11.608 1.00 0.00 C ATOM 1104 O GLY C 34 92.453 9.331 -12.810 1.00 0.00 O ATOM 0 H GLY C 34 93.479 8.264 -8.774 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.414 7.367 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.635 8.410 -10.058 1.00 0.00 H new ATOM 1108 N ILE C 35 93.053 10.595 -11.085 1.00 0.00 N ATOM 1109 CA ILE C 35 93.212 11.784 -11.915 1.00 0.00 C ATOM 1110 C ILE C 35 94.421 11.642 -12.836 1.00 0.00 C ATOM 1111 O ILE C 35 94.449 12.212 -13.927 1.00 0.00 O ATOM 1112 CB ILE C 35 93.372 13.022 -11.023 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.633 14.273 -11.879 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.549 12.810 -10.071 1.00 0.00 C ATOM 1115 CD1 ILE C 35 92.526 14.445 -12.924 1.00 0.00 C ATOM 0 H ILE C 35 93.251 10.734 -10.094 1.00 0.00 H new ATOM 0 HA ILE C 35 92.322 11.898 -12.534 1.00 0.00 H new ATOM 0 HB ILE C 35 92.453 13.168 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.679 15.155 -11.241 1.00 0.00 H new ATOM 0 HG13 ILE C 35 94.600 14.187 -12.375 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.666 13.688 -9.436 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.361 11.935 -9.449 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.461 12.656 -10.648 1.00 0.00 H new ATOM 0 HD11 ILE C 35 92.725 15.334 -13.522 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.499 13.570 -13.573 1.00 0.00 H new ATOM 0 HD13 ILE C 35 91.565 14.553 -12.421 1.00 0.00 H new ATOM 1127 N LEU C 36 95.408 10.911 -12.393 1.00 0.00 N ATOM 1128 CA LEU C 36 96.621 10.731 -13.184 1.00 0.00 C ATOM 1129 C LEU C 36 96.336 10.031 -14.515 1.00 0.00 C ATOM 1130 O LEU C 36 96.776 10.494 -15.567 1.00 0.00 O ATOM 1131 CB LEU C 36 97.642 9.909 -12.387 1.00 0.00 C ATOM 1132 CG LEU C 36 99.050 10.066 -12.997 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.723 11.344 -12.476 1.00 0.00 C ATOM 1134 CD2 LEU C 36 99.916 8.861 -12.615 1.00 0.00 C ATOM 0 H LEU C 36 95.408 10.428 -11.495 1.00 0.00 H new ATOM 0 HA LEU C 36 97.021 11.721 -13.403 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.650 10.236 -11.347 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.353 8.858 -12.388 1.00 0.00 H new ATOM 0 HG LEU C 36 98.950 10.128 -14.081 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.715 11.438 -12.917 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.120 12.210 -12.750 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.812 11.292 -11.391 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.910 8.975 -13.048 1.00 0.00 H new ATOM 0 HD22 LEU C 36 99.997 8.801 -11.530 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.458 7.948 -12.995 1.00 0.00 H new ATOM 1146 N HIS C 37 95.645 8.923 -14.469 1.00 0.00 N ATOM 1147 CA HIS C 37 95.359 8.178 -15.696 1.00 0.00 C ATOM 1148 C HIS C 37 94.719 9.068 -16.759 1.00 0.00 C ATOM 1149 O HIS C 37 94.874 8.825 -17.955 1.00 0.00 O ATOM 1150 CB HIS C 37 94.463 6.965 -15.401 1.00 0.00 C ATOM 1151 CG HIS C 37 93.061 7.398 -15.058 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.355 8.324 -15.812 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.214 7.020 -14.046 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.144 8.471 -15.247 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.006 7.700 -14.167 1.00 0.00 N ATOM 0 H HIS C 37 95.269 8.510 -13.616 1.00 0.00 H new ATOM 0 HA HIS C 37 96.311 7.821 -16.090 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.441 6.305 -16.268 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.882 6.391 -14.574 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.450 6.303 -13.273 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.377 9.132 -15.622 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.190 7.625 -13.560 1.00 0.00 H new ATOM 1164 N PHE C 38 94.004 10.069 -16.328 1.00 0.00 N ATOM 1165 CA PHE C 38 93.332 10.977 -17.256 1.00 0.00 C ATOM 1166 C PHE C 38 94.333 11.697 -18.160 1.00 0.00 C ATOM 1167 O PHE C 38 94.092 11.862 -19.357 1.00 0.00 O ATOM 1168 CB PHE C 38 92.524 12.010 -16.468 1.00 0.00 C ATOM 1169 CG PHE C 38 91.588 12.744 -17.398 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.341 12.192 -17.711 1.00 0.00 C ATOM 1171 CD2 PHE C 38 91.966 13.976 -17.945 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.470 12.873 -18.571 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.096 14.657 -18.804 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.848 14.105 -19.118 1.00 0.00 C ATOM 0 H PHE C 38 93.863 10.289 -15.342 1.00 0.00 H new ATOM 0 HA PHE C 38 92.670 10.384 -17.887 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.955 11.516 -15.680 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.196 12.717 -15.981 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.050 11.241 -17.290 1.00 0.00 H new ATOM 0 HD2 PHE C 38 92.929 14.401 -17.704 1.00 0.00 H new ATOM 0 HE1 PHE C 38 88.507 12.448 -18.812 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.387 15.608 -19.225 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.177 14.630 -19.782 1.00 0.00 H new ATOM 1184 N ILE C 39 95.421 12.135 -17.591 1.00 0.00 N ATOM 1185 CA ILE C 39 96.437 12.860 -18.352 1.00 0.00 C ATOM 1186 C ILE C 39 96.971 12.031 -19.521 1.00 0.00 C ATOM 1187 O ILE C 39 97.032 12.513 -20.653 1.00 0.00 O ATOM 1188 CB ILE C 39 97.592 13.249 -17.428 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.049 14.093 -16.271 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.623 14.061 -18.215 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.152 14.319 -15.235 1.00 0.00 C ATOM 0 H ILE C 39 95.640 12.010 -16.603 1.00 0.00 H new ATOM 0 HA ILE C 39 95.970 13.755 -18.763 1.00 0.00 H new ATOM 0 HB ILE C 39 98.066 12.350 -17.034 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.687 15.050 -16.645 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.200 13.590 -15.808 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.447 14.339 -17.557 1.00 0.00 H new ATOM 0 HG22 ILE C 39 99.005 13.461 -19.041 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.153 14.962 -18.608 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.762 14.920 -14.413 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.493 13.358 -14.851 1.00 0.00 H new ATOM 0 HD13 ILE C 39 98.988 14.841 -15.701 1.00 0.00 H new ATOM 1203 N ALA C 40 97.351 10.812 -19.253 1.00 0.00 N ATOM 1204 CA ALA C 40 97.880 9.941 -20.302 1.00 0.00 C ATOM 1205 C ALA C 40 96.776 9.543 -21.279 1.00 0.00 C ATOM 1206 O ALA C 40 97.015 9.384 -22.477 1.00 0.00 O ATOM 1207 CB ALA C 40 98.494 8.687 -19.678 1.00 0.00 C ATOM 0 H ALA C 40 97.310 10.388 -18.326 1.00 0.00 H new ATOM 0 HA ALA C 40 98.649 10.487 -20.848 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.886 8.043 -20.466 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.304 8.974 -19.007 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.731 8.149 -19.116 1.00 0.00 H new ATOM 1213 N TRP C 41 95.592 9.380 -20.761 1.00 0.00 N ATOM 1214 CA TRP C 41 94.443 8.990 -21.575 1.00 0.00 C ATOM 1215 C TRP C 41 94.328 9.862 -22.823 1.00 0.00 C ATOM 1216 O TRP C 41 93.890 9.401 -23.877 1.00 0.00 O ATOM 1217 CB TRP C 41 93.166 9.133 -20.742 1.00 0.00 C ATOM 1218 CG TRP C 41 92.032 8.447 -21.431 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.451 8.865 -22.579 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.327 7.238 -21.030 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.445 7.980 -22.916 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.329 6.963 -21.992 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.457 6.360 -19.939 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.491 5.858 -21.878 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.609 5.246 -19.820 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.629 4.995 -20.790 1.00 0.00 C ATOM 0 H TRP C 41 95.382 9.509 -19.771 1.00 0.00 H new ATOM 0 HA TRP C 41 94.579 7.955 -21.890 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.316 8.702 -19.752 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.931 10.188 -20.598 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.728 9.746 -23.140 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.860 8.068 -23.747 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.212 6.543 -19.189 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.737 5.669 -22.628 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.713 4.580 -18.977 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.982 4.135 -20.696 1.00 0.00 H new ATOM 1237 N THR C 42 94.722 11.095 -22.698 1.00 0.00 N ATOM 1238 CA THR C 42 94.655 12.026 -23.821 1.00 0.00 C ATOM 1239 C THR C 42 95.506 11.542 -24.993 1.00 0.00 C ATOM 1240 O THR C 42 95.144 11.733 -26.154 1.00 0.00 O ATOM 1241 CB THR C 42 95.132 13.413 -23.381 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.418 13.304 -22.787 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.144 13.996 -22.369 1.00 0.00 C ATOM 0 H THR C 42 95.095 11.493 -21.836 1.00 0.00 H new ATOM 0 HA THR C 42 93.617 12.081 -24.149 1.00 0.00 H new ATOM 0 HB THR C 42 95.189 14.071 -24.248 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.328 12.965 -21.872 1.00 0.00 H new ATOM 0 HG21 THR C 42 94.484 14.983 -22.056 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.159 14.080 -22.829 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.084 13.341 -21.500 1.00 0.00 H new ATOM 1251 N ILE C 43 96.622 10.938 -24.691 1.00 0.00 N ATOM 1252 CA ILE C 43 97.517 10.452 -25.736 1.00 0.00 C ATOM 1253 C ILE C 43 96.844 9.381 -26.596 1.00 0.00 C ATOM 1254 O ILE C 43 96.868 9.458 -27.826 1.00 0.00 O ATOM 1255 CB ILE C 43 98.792 9.879 -25.112 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.487 10.971 -24.292 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.726 9.399 -26.224 1.00 0.00 C ATOM 1258 CD1 ILE C 43 100.647 10.366 -23.496 1.00 0.00 C ATOM 0 H ILE C 43 96.943 10.765 -23.738 1.00 0.00 H new ATOM 0 HA ILE C 43 97.768 11.298 -26.376 1.00 0.00 H new ATOM 0 HB ILE C 43 98.541 9.041 -24.462 1.00 0.00 H new ATOM 0 HG12 ILE C 43 99.858 11.754 -24.953 1.00 0.00 H new ATOM 0 HG13 ILE C 43 98.773 11.438 -23.613 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.636 8.990 -25.784 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.227 8.627 -26.810 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.982 10.238 -26.872 1.00 0.00 H new ATOM 0 HD11 ILE C 43 101.137 11.148 -22.915 1.00 0.00 H new ATOM 0 HD12 ILE C 43 100.265 9.599 -22.822 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.366 9.920 -24.183 1.00 0.00 H new ATOM 1270 N GLY C 44 96.272 8.396 -25.960 1.00 0.00 N ATOM 1271 CA GLY C 44 95.616 7.308 -26.682 1.00 0.00 C ATOM 1272 C GLY C 44 94.594 7.826 -27.690 1.00 0.00 C ATOM 1273 O GLY C 44 94.351 7.193 -28.718 1.00 0.00 O ATOM 0 H GLY C 44 96.240 8.312 -24.944 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.367 6.712 -27.201 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.121 6.647 -25.970 1.00 0.00 H new ATOM 1277 N HIS C 45 94.003 8.951 -27.398 1.00 0.00 N ATOM 1278 CA HIS C 45 93.002 9.537 -28.285 1.00 0.00 C ATOM 1279 C HIS C 45 93.509 9.630 -29.722 1.00 0.00 C ATOM 1280 O HIS C 45 92.721 9.608 -30.669 1.00 0.00 O ATOM 1281 CB HIS C 45 92.637 10.937 -27.788 1.00 0.00 C ATOM 1282 CG HIS C 45 91.487 11.473 -28.593 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.442 12.789 -29.029 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.329 10.890 -29.044 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.292 12.951 -29.710 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.576 11.824 -29.749 1.00 0.00 N ATOM 0 H HIS C 45 94.189 9.492 -26.553 1.00 0.00 H new ATOM 0 HA HIS C 45 92.125 8.890 -28.275 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.369 10.901 -26.732 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.497 11.601 -27.876 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.045 9.861 -28.877 1.00 0.00 H new ATOM 0 HE1 HIS C 45 89.986 13.879 -30.169 1.00 0.00 H new ATOM 0 HE2 HIS C 45 88.672 11.679 -30.199 1.00 0.00 H new ATOM 1295 N LEU C 46 94.795 9.776 -29.877 1.00 0.00 N ATOM 1296 CA LEU C 46 95.379 9.926 -31.206 1.00 0.00 C ATOM 1297 C LEU C 46 94.840 8.878 -32.184 1.00 0.00 C ATOM 1298 O LEU C 46 94.673 9.168 -33.370 1.00 0.00 O ATOM 1299 CB LEU C 46 96.920 9.852 -31.114 1.00 0.00 C ATOM 1300 CG LEU C 46 97.412 8.379 -31.025 1.00 0.00 C ATOM 1301 CD1 LEU C 46 97.735 7.828 -32.438 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.676 8.295 -30.132 1.00 0.00 C ATOM 0 H LEU C 46 95.468 9.796 -29.111 1.00 0.00 H new ATOM 0 HA LEU C 46 95.092 10.903 -31.594 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.362 10.333 -31.987 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.261 10.405 -30.239 1.00 0.00 H new ATOM 0 HG LEU C 46 96.618 7.776 -30.585 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.078 6.796 -32.357 1.00 0.00 H new ATOM 0 HD12 LEU C 46 96.838 7.865 -33.057 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.516 8.435 -32.895 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.013 7.260 -30.075 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.466 8.911 -30.561 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.439 8.654 -29.131 1.00 0.00 H new ATOM 1314 N ASN C 47 94.577 7.690 -31.713 1.00 0.00 N ATOM 1315 CA ASN C 47 94.068 6.641 -32.591 1.00 0.00 C ATOM 1316 C ASN C 47 92.878 7.150 -33.400 1.00 0.00 C ATOM 1317 O ASN C 47 92.834 7.000 -34.621 1.00 0.00 O ATOM 1318 CB ASN C 47 93.643 5.422 -31.767 1.00 0.00 C ATOM 1319 CG ASN C 47 93.227 4.290 -32.699 1.00 0.00 C ATOM 1320 OD1 ASN C 47 93.812 3.128 -32.598 1.00 0.00 O flip ATOM 1321 ND2 ASN C 47 92.349 4.471 -33.544 1.00 0.00 N flip ATOM 0 H ASN C 47 94.701 7.414 -30.739 1.00 0.00 H new ATOM 0 HA ASN C 47 94.865 6.353 -33.277 1.00 0.00 H new ATOM 0 HB2 ASN C 47 94.466 5.097 -31.130 1.00 0.00 H new ATOM 0 HB3 ASN C 47 92.815 5.687 -31.109 1.00 0.00 H new ATOM 0 HD21 ASN C 47 91.894 5.381 -33.620 1.00 0.00 H new ATOM 0 HD22 ASN C 47 92.077 3.711 -34.168 1.00 0.00 H new ATOM 1328 N GLN C 48 91.932 7.738 -32.722 1.00 0.00 N ATOM 1329 CA GLN C 48 90.743 8.265 -33.385 1.00 0.00 C ATOM 1330 C GLN C 48 91.135 9.260 -34.468 1.00 0.00 C ATOM 1331 O GLN C 48 90.639 9.202 -35.594 1.00 0.00 O ATOM 1332 CB GLN C 48 89.835 8.948 -32.354 1.00 0.00 C ATOM 1333 CG GLN C 48 88.648 9.633 -33.048 1.00 0.00 C ATOM 1334 CD GLN C 48 87.906 8.637 -33.933 1.00 0.00 C ATOM 1335 OE1 GLN C 48 86.903 7.962 -33.442 1.00 0.00 O flip ATOM 1336 NE2 GLN C 48 88.252 8.467 -35.103 1.00 0.00 N flip ATOM 0 H GLN C 48 91.949 7.871 -31.711 1.00 0.00 H new ATOM 0 HA GLN C 48 90.205 7.438 -33.849 1.00 0.00 H new ATOM 0 HB2 GLN C 48 89.469 8.211 -31.639 1.00 0.00 H new ATOM 0 HB3 GLN C 48 90.407 9.684 -31.789 1.00 0.00 H new ATOM 0 HG2 GLN C 48 87.968 10.043 -32.301 1.00 0.00 H new ATOM 0 HG3 GLN C 48 89.003 10.470 -33.649 1.00 0.00 H new ATOM 0 HE21 GLN C 48 89.036 8.996 -35.485 1.00 0.00 H new ATOM 0 HE22 GLN C 48 87.754 7.798 -35.690 1.00 0.00 H new ATOM 1345 N ILE C 49 92.010 10.157 -34.117 1.00 0.00 N ATOM 1346 CA ILE C 49 92.486 11.190 -35.040 1.00 0.00 C ATOM 1347 C ILE C 49 93.869 10.832 -35.572 1.00 0.00 C ATOM 1348 O ILE C 49 94.890 11.106 -34.945 1.00 0.00 O ATOM 1349 CB ILE C 49 92.517 12.563 -34.342 1.00 0.00 C ATOM 1350 CG1 ILE C 49 93.173 13.592 -35.272 1.00 0.00 C ATOM 1351 CG2 ILE C 49 93.299 12.493 -33.021 1.00 0.00 C ATOM 1352 CD1 ILE C 49 92.937 14.998 -34.722 1.00 0.00 C ATOM 0 H ILE C 49 92.424 10.208 -33.186 1.00 0.00 H new ATOM 0 HA ILE C 49 91.796 11.246 -35.882 1.00 0.00 H new ATOM 0 HB ILE C 49 91.492 12.861 -34.119 1.00 0.00 H new ATOM 0 HG12 ILE C 49 94.242 13.396 -35.352 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.757 13.508 -36.276 1.00 0.00 H new ATOM 0 HG21 ILE C 49 93.305 13.476 -32.549 1.00 0.00 H new ATOM 0 HG22 ILE C 49 92.824 11.773 -32.354 1.00 0.00 H new ATOM 0 HG23 ILE C 49 94.324 12.180 -33.221 1.00 0.00 H new ATOM 0 HD11 ILE C 49 93.403 15.730 -35.382 1.00 0.00 H new ATOM 0 HD12 ILE C 49 91.866 15.191 -34.664 1.00 0.00 H new ATOM 0 HD13 ILE C 49 93.374 15.077 -33.727 1.00 0.00 H new ATOM 1364 N LYS C 50 93.880 10.238 -36.726 1.00 0.00 N ATOM 1365 CA LYS C 50 95.129 9.848 -37.374 1.00 0.00 C ATOM 1366 C LYS C 50 94.917 9.676 -38.873 1.00 0.00 C ATOM 1367 O LYS C 50 95.324 10.520 -39.670 1.00 0.00 O ATOM 1368 CB LYS C 50 95.659 8.541 -36.782 1.00 0.00 C ATOM 1369 CG LYS C 50 97.089 8.305 -37.278 1.00 0.00 C ATOM 1370 CD LYS C 50 97.556 6.910 -36.861 1.00 0.00 C ATOM 1371 CE LYS C 50 98.914 6.615 -37.501 1.00 0.00 C ATOM 1372 NZ LYS C 50 98.737 6.387 -38.964 1.00 0.00 N ATOM 0 H LYS C 50 93.040 10.004 -37.255 1.00 0.00 H new ATOM 0 HA LYS C 50 95.860 10.638 -37.201 1.00 0.00 H new ATOM 0 HB2 LYS C 50 95.642 8.588 -35.693 1.00 0.00 H new ATOM 0 HB3 LYS C 50 95.018 7.709 -37.075 1.00 0.00 H new ATOM 0 HG2 LYS C 50 97.129 8.403 -38.363 1.00 0.00 H new ATOM 0 HG3 LYS C 50 97.757 9.061 -36.865 1.00 0.00 H new ATOM 0 HD2 LYS C 50 97.633 6.850 -35.775 1.00 0.00 H new ATOM 0 HD3 LYS C 50 96.826 6.162 -37.171 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.596 7.448 -37.332 1.00 0.00 H new ATOM 0 HE3 LYS C 50 99.363 5.737 -37.037 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 98.887 5.381 -39.179 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 97.774 6.661 -39.244 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 99.427 6.960 -39.491 1.00 0.00 H new ATOM 1386 N ARG C 51 94.286 8.595 -39.243 1.00 0.00 N ATOM 1387 CA ARG C 51 94.024 8.321 -40.649 1.00 0.00 C ATOM 1388 C ARG C 51 93.133 9.412 -41.237 1.00 0.00 C ATOM 1389 O ARG C 51 93.354 9.873 -42.357 1.00 0.00 O ATOM 1390 CB ARG C 51 93.344 6.948 -40.794 1.00 0.00 C ATOM 1391 CG ARG C 51 94.396 5.830 -40.787 1.00 0.00 C ATOM 1392 CD ARG C 51 95.244 5.917 -39.514 1.00 0.00 C ATOM 1393 NE ARG C 51 96.125 4.759 -39.414 1.00 0.00 N ATOM 1394 CZ ARG C 51 95.686 3.607 -38.984 1.00 0.00 C ATOM 1395 NH1 ARG C 51 94.435 3.471 -38.641 1.00 0.00 N ATOM 1396 NH2 ARG C 51 96.499 2.591 -38.900 1.00 0.00 N ATOM 0 H ARG C 51 93.940 7.884 -38.599 1.00 0.00 H new ATOM 0 HA ARG C 51 94.969 8.309 -41.192 1.00 0.00 H new ATOM 0 HB2 ARG C 51 92.637 6.797 -39.978 1.00 0.00 H new ATOM 0 HB3 ARG C 51 92.773 6.913 -41.722 1.00 0.00 H new ATOM 0 HG2 ARG C 51 93.906 4.858 -40.842 1.00 0.00 H new ATOM 0 HG3 ARG C 51 95.035 5.915 -41.666 1.00 0.00 H new ATOM 0 HD2 ARG C 51 95.835 6.833 -39.524 1.00 0.00 H new ATOM 0 HD3 ARG C 51 94.596 5.966 -38.639 1.00 0.00 H new ATOM 0 HE ARG C 51 97.104 4.851 -39.685 1.00 0.00 H new ATOM 0 HH11 ARG C 51 93.798 4.265 -38.709 1.00 0.00 H new ATOM 0 HH12 ARG C 51 94.093 2.571 -38.305 1.00 0.00 H new ATOM 0 HH21 ARG C 51 97.477 2.697 -39.170 1.00 0.00 H new ATOM 0 HH22 ARG C 51 96.157 1.691 -38.564 1.00 0.00 H new ATOM 1410 N GLY C 52 92.144 9.815 -40.485 1.00 0.00 N ATOM 1411 CA GLY C 52 91.227 10.854 -40.937 1.00 0.00 C ATOM 1412 C GLY C 52 90.077 11.032 -39.951 1.00 0.00 C ATOM 0 H GLY C 52 91.944 9.446 -39.555 1.00 0.00 H new ATOM 0 HA2 GLY C 52 91.765 11.796 -41.049 1.00 0.00 H new ATOM 0 HA3 GLY C 52 90.832 10.594 -41.919 1.00 0.00 H new TER 1416 GLY C 52 ATOM 1417 N SER D 23 86.345 -1.141 10.061 1.00 0.00 N ATOM 1418 CA SER D 23 87.503 -1.814 10.717 1.00 0.00 C ATOM 1419 C SER D 23 88.289 -2.600 9.672 1.00 0.00 C ATOM 1420 O SER D 23 89.516 -2.522 9.617 1.00 0.00 O ATOM 1421 CB SER D 23 86.989 -2.754 11.808 1.00 0.00 C ATOM 1422 OG SER D 23 85.964 -3.579 11.273 1.00 0.00 O ATOM 0 HA SER D 23 88.159 -1.069 11.168 1.00 0.00 H new ATOM 0 HB2 SER D 23 87.805 -3.369 12.188 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.605 -2.177 12.650 1.00 0.00 H new ATOM 0 HG SER D 23 85.504 -3.102 10.551 1.00 0.00 H new ATOM 1427 N ASP D 24 87.586 -3.345 8.861 1.00 0.00 N ATOM 1428 CA ASP D 24 88.228 -4.143 7.822 1.00 0.00 C ATOM 1429 C ASP D 24 88.788 -3.232 6.717 1.00 0.00 C ATOM 1430 O ASP D 24 88.130 -2.268 6.326 1.00 0.00 O ATOM 1431 CB ASP D 24 87.205 -5.111 7.218 1.00 0.00 C ATOM 1432 CG ASP D 24 87.815 -5.855 6.036 1.00 0.00 C ATOM 1433 OD1 ASP D 24 88.190 -5.198 5.078 1.00 0.00 O ATOM 1434 OD2 ASP D 24 87.900 -7.070 6.105 1.00 0.00 O ATOM 0 H ASP D 24 86.569 -3.424 8.891 1.00 0.00 H new ATOM 0 HA ASP D 24 89.050 -4.705 8.265 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.877 -5.823 7.975 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.321 -4.561 6.894 1.00 0.00 H new ATOM 1439 N PRO D 25 89.972 -3.504 6.202 1.00 0.00 N ATOM 1440 CA PRO D 25 90.579 -2.665 5.123 1.00 0.00 C ATOM 1441 C PRO D 25 89.910 -2.904 3.765 1.00 0.00 C ATOM 1442 O PRO D 25 90.571 -3.242 2.783 1.00 0.00 O ATOM 1443 CB PRO D 25 92.048 -3.111 5.116 1.00 0.00 C ATOM 1444 CG PRO D 25 92.009 -4.534 5.564 1.00 0.00 C ATOM 1445 CD PRO D 25 90.864 -4.623 6.577 1.00 0.00 C ATOM 0 HA PRO D 25 90.458 -1.597 5.302 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.486 -3.020 4.122 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.651 -2.500 5.787 1.00 0.00 H new ATOM 0 HG2 PRO D 25 91.838 -5.204 4.722 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.956 -4.827 6.018 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.350 -5.582 6.516 1.00 0.00 H new ATOM 0 HD3 PRO D 25 91.226 -4.520 7.600 1.00 0.00 H new ATOM 1453 N LEU D 26 88.618 -2.725 3.722 1.00 0.00 N ATOM 1454 CA LEU D 26 87.869 -2.921 2.484 1.00 0.00 C ATOM 1455 C LEU D 26 88.205 -1.825 1.473 1.00 0.00 C ATOM 1456 O LEU D 26 88.431 -2.102 0.296 1.00 0.00 O ATOM 1457 CB LEU D 26 86.363 -2.914 2.787 1.00 0.00 C ATOM 1458 CG LEU D 26 85.545 -2.995 1.487 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.971 -4.224 0.669 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.059 -3.107 1.841 1.00 0.00 C ATOM 0 H LEU D 26 88.051 -2.444 4.522 1.00 0.00 H new ATOM 0 HA LEU D 26 88.147 -3.883 2.053 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.113 -3.756 3.432 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.101 -2.007 3.331 1.00 0.00 H new ATOM 0 HG LEU D 26 85.721 -2.099 0.893 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.385 -4.271 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU D 26 87.029 -4.147 0.420 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.801 -5.128 1.255 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.470 -3.165 0.926 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.893 -4.005 2.436 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.754 -2.231 2.413 1.00 0.00 H new ATOM 1472 N VAL D 27 88.227 -0.604 1.935 1.00 0.00 N ATOM 1473 CA VAL D 27 88.527 0.533 1.069 1.00 0.00 C ATOM 1474 C VAL D 27 89.996 0.543 0.650 1.00 0.00 C ATOM 1475 O VAL D 27 90.323 0.886 -0.486 1.00 0.00 O ATOM 1476 CB VAL D 27 88.193 1.835 1.796 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.231 3.000 0.805 1.00 0.00 C ATOM 1478 CG2 VAL D 27 86.793 1.732 2.406 1.00 0.00 C ATOM 0 H VAL D 27 88.042 -0.358 2.907 1.00 0.00 H new ATOM 0 HA VAL D 27 87.918 0.442 0.169 1.00 0.00 H new ATOM 0 HB VAL D 27 88.924 2.007 2.586 1.00 0.00 H new ATOM 0 HG11 VAL D 27 87.993 3.928 1.325 1.00 0.00 H new ATOM 0 HG12 VAL D 27 89.227 3.074 0.369 1.00 0.00 H new ATOM 0 HG13 VAL D 27 87.500 2.829 0.014 1.00 0.00 H new ATOM 0 HG21 VAL D 27 86.553 2.660 2.925 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.063 1.560 1.615 1.00 0.00 H new ATOM 0 HG23 VAL D 27 86.764 0.903 3.113 1.00 0.00 H new ATOM 1488 N VAL D 28 90.860 0.180 1.558 1.00 0.00 N ATOM 1489 CA VAL D 28 92.292 0.158 1.272 1.00 0.00 C ATOM 1490 C VAL D 28 92.630 -0.947 0.271 1.00 0.00 C ATOM 1491 O VAL D 28 93.415 -0.741 -0.653 1.00 0.00 O ATOM 1492 CB VAL D 28 93.078 -0.055 2.568 1.00 0.00 C ATOM 1493 CG1 VAL D 28 94.575 -0.103 2.260 1.00 0.00 C ATOM 1494 CG2 VAL D 28 92.794 1.101 3.531 1.00 0.00 C ATOM 0 H VAL D 28 90.611 -0.106 2.505 1.00 0.00 H new ATOM 0 HA VAL D 28 92.570 1.116 0.833 1.00 0.00 H new ATOM 0 HB VAL D 28 92.773 -0.996 3.025 1.00 0.00 H new ATOM 0 HG11 VAL D 28 95.132 -0.255 3.185 1.00 0.00 H new ATOM 0 HG12 VAL D 28 94.779 -0.925 1.574 1.00 0.00 H new ATOM 0 HG13 VAL D 28 94.882 0.837 1.801 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.353 0.951 4.455 1.00 0.00 H new ATOM 0 HG22 VAL D 28 93.099 2.041 3.071 1.00 0.00 H new ATOM 0 HG23 VAL D 28 91.728 1.135 3.754 1.00 0.00 H new ATOM 1504 N ALA D 29 92.046 -2.097 0.467 1.00 0.00 N ATOM 1505 CA ALA D 29 92.295 -3.234 -0.418 1.00 0.00 C ATOM 1506 C ALA D 29 92.136 -2.833 -1.883 1.00 0.00 C ATOM 1507 O ALA D 29 92.810 -3.372 -2.760 1.00 0.00 O ATOM 1508 CB ALA D 29 91.322 -4.370 -0.095 1.00 0.00 C ATOM 0 H ALA D 29 91.393 -2.285 1.227 1.00 0.00 H new ATOM 0 HA ALA D 29 93.320 -3.569 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.514 -5.213 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.460 -4.684 0.940 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.298 -4.023 -0.236 1.00 0.00 H new ATOM 1514 N ALA D 30 91.256 -1.904 -2.135 1.00 0.00 N ATOM 1515 CA ALA D 30 91.012 -1.438 -3.499 1.00 0.00 C ATOM 1516 C ALA D 30 92.242 -0.727 -4.062 1.00 0.00 C ATOM 1517 O ALA D 30 92.467 -0.723 -5.272 1.00 0.00 O ATOM 1518 CB ALA D 30 89.814 -0.487 -3.517 1.00 0.00 C ATOM 0 H ALA D 30 90.688 -1.446 -1.422 1.00 0.00 H new ATOM 0 HA ALA D 30 90.799 -2.306 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.638 -0.143 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.930 -1.009 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.020 0.370 -2.876 1.00 0.00 H new ATOM 1524 N SER D 31 93.012 -0.130 -3.193 1.00 0.00 N ATOM 1525 CA SER D 31 94.211 0.592 -3.614 1.00 0.00 C ATOM 1526 C SER D 31 95.123 -0.302 -4.453 1.00 0.00 C ATOM 1527 O SER D 31 95.678 0.134 -5.460 1.00 0.00 O ATOM 1528 CB SER D 31 94.972 1.093 -2.386 1.00 0.00 C ATOM 1529 OG SER D 31 96.121 1.816 -2.809 1.00 0.00 O ATOM 0 H SER D 31 92.842 -0.122 -2.187 1.00 0.00 H new ATOM 0 HA SER D 31 93.902 1.440 -4.226 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.329 1.732 -1.781 1.00 0.00 H new ATOM 0 HB3 SER D 31 95.268 0.252 -1.759 1.00 0.00 H new ATOM 0 HG SER D 31 96.611 2.140 -2.024 1.00 0.00 H new ATOM 1535 N ILE D 32 95.274 -1.527 -4.034 1.00 0.00 N ATOM 1536 CA ILE D 32 96.128 -2.473 -4.749 1.00 0.00 C ATOM 1537 C ILE D 32 95.778 -2.499 -6.234 1.00 0.00 C ATOM 1538 O ILE D 32 96.648 -2.675 -7.085 1.00 0.00 O ATOM 1539 CB ILE D 32 95.955 -3.877 -4.165 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.028 -3.817 -2.634 1.00 0.00 C ATOM 1541 CG2 ILE D 32 97.060 -4.790 -4.696 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.286 -3.063 -2.192 1.00 0.00 C ATOM 0 H ILE D 32 94.823 -1.907 -3.202 1.00 0.00 H new ATOM 0 HA ILE D 32 97.163 -2.152 -4.635 1.00 0.00 H new ATOM 0 HB ILE D 32 94.983 -4.272 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE D 32 95.141 -3.321 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.038 -4.827 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE D 32 96.937 -5.790 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE D 32 97.000 -4.839 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE D 32 98.032 -4.393 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE D 32 97.325 -3.028 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE D 32 98.170 -3.576 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.259 -2.047 -2.587 1.00 0.00 H new ATOM 1554 N ILE D 33 94.523 -2.330 -6.532 1.00 0.00 N ATOM 1555 CA ILE D 33 94.071 -2.333 -7.916 1.00 0.00 C ATOM 1556 C ILE D 33 94.533 -1.057 -8.631 1.00 0.00 C ATOM 1557 O ILE D 33 94.736 -1.056 -9.845 1.00 0.00 O ATOM 1558 CB ILE D 33 92.534 -2.473 -7.977 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.111 -3.752 -7.213 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.072 -2.565 -9.446 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.698 -4.198 -7.623 1.00 0.00 C ATOM 0 H ILE D 33 93.784 -2.187 -5.843 1.00 0.00 H new ATOM 0 HA ILE D 33 94.512 -3.188 -8.428 1.00 0.00 H new ATOM 0 HB ILE D 33 92.070 -1.601 -7.517 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.822 -4.553 -7.416 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.140 -3.565 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE D 33 90.987 -2.664 -9.481 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.372 -1.663 -9.979 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.531 -3.434 -9.918 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.426 -5.098 -7.072 1.00 0.00 H new ATOM 0 HD12 ILE D 33 89.986 -3.405 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.679 -4.408 -8.692 1.00 0.00 H new ATOM 1573 N GLY D 34 94.679 0.012 -7.890 1.00 0.00 N ATOM 1574 CA GLY D 34 95.093 1.288 -8.474 1.00 0.00 C ATOM 1575 C GLY D 34 96.515 1.245 -9.035 1.00 0.00 C ATOM 1576 O GLY D 34 96.746 1.638 -10.178 1.00 0.00 O ATOM 0 H GLY D 34 94.521 0.037 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.400 1.560 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY D 34 95.029 2.068 -7.715 1.00 0.00 H new ATOM 1580 N ILE D 35 97.451 0.790 -8.247 1.00 0.00 N ATOM 1581 CA ILE D 35 98.839 0.726 -8.699 1.00 0.00 C ATOM 1582 C ILE D 35 98.975 -0.225 -9.884 1.00 0.00 C ATOM 1583 O ILE D 35 99.851 -0.054 -10.732 1.00 0.00 O ATOM 1584 CB ILE D 35 99.768 0.291 -7.552 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.259 -1.017 -6.910 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.797 1.393 -6.491 1.00 0.00 C ATOM 1587 CD1 ILE D 35 99.643 -2.256 -7.746 1.00 0.00 C ATOM 0 H ILE D 35 97.294 0.458 -7.295 1.00 0.00 H new ATOM 0 HA ILE D 35 99.137 1.724 -9.021 1.00 0.00 H new ATOM 0 HB ILE D 35 100.768 0.121 -7.950 1.00 0.00 H new ATOM 0 HG12 ILE D 35 99.673 -1.114 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.175 -0.972 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.453 1.094 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.169 2.316 -6.935 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.790 1.555 -6.107 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.266 -3.155 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE D 35 99.207 -2.173 -8.742 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.728 -2.317 -7.829 1.00 0.00 H new ATOM 1599 N LEU D 36 98.119 -1.206 -9.937 1.00 0.00 N ATOM 1600 CA LEU D 36 98.155 -2.175 -11.025 1.00 0.00 C ATOM 1601 C LEU D 36 97.931 -1.474 -12.369 1.00 0.00 C ATOM 1602 O LEU D 36 98.581 -1.792 -13.363 1.00 0.00 O ATOM 1603 CB LEU D 36 97.078 -3.250 -10.799 1.00 0.00 C ATOM 1604 CG LEU D 36 97.445 -4.549 -11.551 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.365 -5.418 -10.683 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.170 -5.340 -11.868 1.00 0.00 C ATOM 0 H LEU D 36 97.385 -1.366 -9.247 1.00 0.00 H new ATOM 0 HA LEU D 36 99.135 -2.652 -11.043 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.979 -3.455 -9.733 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.111 -2.883 -11.144 1.00 0.00 H new ATOM 0 HG LEU D 36 97.958 -4.285 -12.476 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.618 -6.331 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.277 -4.867 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.854 -5.674 -9.755 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.432 -6.255 -12.398 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.658 -5.592 -10.939 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.512 -4.735 -12.492 1.00 0.00 H new ATOM 1618 N HIS D 37 97.011 -0.550 -12.394 1.00 0.00 N ATOM 1619 CA HIS D 37 96.698 0.176 -13.624 1.00 0.00 C ATOM 1620 C HIS D 37 97.938 0.850 -14.211 1.00 0.00 C ATOM 1621 O HIS D 37 98.126 0.865 -15.426 1.00 0.00 O ATOM 1622 CB HIS D 37 95.645 1.252 -13.345 1.00 0.00 C ATOM 1623 CG HIS D 37 94.426 0.627 -12.732 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.731 1.230 -11.695 1.00 0.00 N ATOM 1625 CD2 HIS D 37 93.760 -0.542 -13.000 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.698 0.430 -11.381 1.00 0.00 C ATOM 1627 NE2 HIS D 37 92.668 -0.664 -12.146 1.00 0.00 N ATOM 0 H HIS D 37 96.457 -0.272 -11.584 1.00 0.00 H new ATOM 0 HA HIS D 37 96.319 -0.551 -14.342 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.053 2.008 -12.674 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.377 1.760 -14.271 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.962 2.119 -11.251 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.040 -1.258 -13.758 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.979 0.646 -10.604 1.00 0.00 H new ATOM 1636 N PHE D 38 98.746 1.426 -13.362 1.00 0.00 N ATOM 1637 CA PHE D 38 99.943 2.134 -13.815 1.00 0.00 C ATOM 1638 C PHE D 38 100.925 1.224 -14.547 1.00 0.00 C ATOM 1639 O PHE D 38 101.422 1.584 -15.614 1.00 0.00 O ATOM 1640 CB PHE D 38 100.648 2.778 -12.620 1.00 0.00 C ATOM 1641 CG PHE D 38 101.864 3.532 -13.104 1.00 0.00 C ATOM 1642 CD1 PHE D 38 103.081 2.863 -13.274 1.00 0.00 C ATOM 1643 CD2 PHE D 38 101.773 4.901 -13.384 1.00 0.00 C ATOM 1644 CE1 PHE D 38 104.208 3.562 -13.726 1.00 0.00 C ATOM 1645 CE2 PHE D 38 102.899 5.601 -13.834 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.117 4.930 -14.006 1.00 0.00 C ATOM 0 H PHE D 38 98.609 1.427 -12.351 1.00 0.00 H new ATOM 0 HA PHE D 38 99.613 2.896 -14.521 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.968 3.455 -12.104 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.942 2.013 -11.901 1.00 0.00 H new ATOM 0 HD1 PHE D 38 103.152 1.807 -13.057 1.00 0.00 H new ATOM 0 HD2 PHE D 38 100.834 5.417 -13.253 1.00 0.00 H new ATOM 0 HE1 PHE D 38 105.147 3.045 -13.858 1.00 0.00 H new ATOM 0 HE2 PHE D 38 102.829 6.657 -14.048 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.986 5.469 -14.355 1.00 0.00 H new ATOM 1656 N ILE D 39 101.224 0.080 -13.989 1.00 0.00 N ATOM 1657 CA ILE D 39 102.177 -0.817 -14.637 1.00 0.00 C ATOM 1658 C ILE D 39 101.653 -1.295 -15.986 1.00 0.00 C ATOM 1659 O ILE D 39 102.401 -1.330 -16.957 1.00 0.00 O ATOM 1660 CB ILE D 39 102.512 -2.019 -13.743 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.228 -2.619 -13.174 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.414 -1.569 -12.589 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.569 -3.873 -12.365 1.00 0.00 C ATOM 0 H ILE D 39 100.838 -0.258 -13.107 1.00 0.00 H new ATOM 0 HA ILE D 39 103.093 -0.249 -14.803 1.00 0.00 H new ATOM 0 HB ILE D 39 103.029 -2.770 -14.340 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.722 -1.890 -12.540 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.541 -2.870 -13.982 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.650 -2.425 -11.956 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.336 -1.149 -12.990 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.898 -0.812 -11.998 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.654 -4.303 -11.958 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.056 -4.602 -13.012 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.240 -3.608 -11.548 1.00 0.00 H new ATOM 1675 N ALA D 40 100.403 -1.663 -16.060 1.00 0.00 N ATOM 1676 CA ALA D 40 99.849 -2.136 -17.324 1.00 0.00 C ATOM 1677 C ALA D 40 99.876 -1.032 -18.380 1.00 0.00 C ATOM 1678 O ALA D 40 100.212 -1.278 -19.540 1.00 0.00 O ATOM 1679 CB ALA D 40 98.409 -2.607 -17.118 1.00 0.00 C ATOM 0 H ALA D 40 99.747 -1.650 -15.279 1.00 0.00 H new ATOM 0 HA ALA D 40 100.462 -2.967 -17.673 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.002 -2.959 -18.066 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.392 -3.420 -16.392 1.00 0.00 H new ATOM 0 HB3 ALA D 40 97.805 -1.779 -16.749 1.00 0.00 H new ATOM 1685 N TRP D 41 99.516 0.157 -17.981 1.00 0.00 N ATOM 1686 CA TRP D 41 99.489 1.292 -18.901 1.00 0.00 C ATOM 1687 C TRP D 41 100.801 1.387 -19.671 1.00 0.00 C ATOM 1688 O TRP D 41 100.820 1.779 -20.837 1.00 0.00 O ATOM 1689 CB TRP D 41 99.261 2.590 -18.114 1.00 0.00 C ATOM 1690 CG TRP D 41 98.841 3.694 -19.040 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.630 4.269 -19.979 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.553 4.374 -19.117 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.903 5.249 -20.635 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.619 5.352 -20.138 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.345 4.234 -18.410 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.525 6.163 -20.445 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.244 5.050 -18.715 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.334 6.012 -19.731 1.00 0.00 C ATOM 0 H TRP D 41 99.235 0.379 -17.026 1.00 0.00 H new ATOM 0 HA TRP D 41 98.675 1.146 -19.611 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.496 2.433 -17.354 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.175 2.872 -17.592 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.658 4.006 -20.183 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.271 5.824 -21.393 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.264 3.494 -17.628 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.599 6.902 -21.229 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.322 4.936 -18.164 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.483 6.636 -19.961 1.00 0.00 H new ATOM 1709 N THR D 42 101.876 1.024 -19.030 1.00 0.00 N ATOM 1710 CA THR D 42 103.178 1.078 -19.681 1.00 0.00 C ATOM 1711 C THR D 42 103.196 0.201 -20.929 1.00 0.00 C ATOM 1712 O THR D 42 103.733 0.601 -21.962 1.00 0.00 O ATOM 1713 CB THR D 42 104.286 0.633 -18.726 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.114 -0.738 -18.403 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.235 1.478 -17.452 1.00 0.00 C ATOM 0 H THR D 42 101.890 0.689 -18.067 1.00 0.00 H new ATOM 0 HA THR D 42 103.358 2.113 -19.971 1.00 0.00 H new ATOM 0 HB THR D 42 105.255 0.768 -19.206 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.446 -0.825 -17.692 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.025 1.160 -16.772 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.376 2.528 -17.706 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.267 1.349 -16.968 1.00 0.00 H new ATOM 1723 N ILE D 43 102.622 -0.974 -20.845 1.00 0.00 N ATOM 1724 CA ILE D 43 102.597 -1.863 -22.003 1.00 0.00 C ATOM 1725 C ILE D 43 101.634 -1.330 -23.063 1.00 0.00 C ATOM 1726 O ILE D 43 102.006 -1.167 -24.225 1.00 0.00 O ATOM 1727 CB ILE D 43 102.178 -3.287 -21.591 1.00 0.00 C ATOM 1728 CG1 ILE D 43 103.191 -3.885 -20.572 1.00 0.00 C ATOM 1729 CG2 ILE D 43 102.133 -4.163 -22.850 1.00 0.00 C ATOM 1730 CD1 ILE D 43 102.703 -3.663 -19.132 1.00 0.00 C ATOM 0 H ILE D 43 102.171 -1.341 -20.007 1.00 0.00 H new ATOM 0 HA ILE D 43 103.603 -1.901 -22.420 1.00 0.00 H new ATOM 0 HB ILE D 43 101.198 -3.253 -21.116 1.00 0.00 H new ATOM 0 HG12 ILE D 43 103.317 -4.951 -20.759 1.00 0.00 H new ATOM 0 HG13 ILE D 43 104.168 -3.420 -20.707 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.838 -5.176 -22.578 1.00 0.00 H new ATOM 0 HG22 ILE D 43 101.410 -3.751 -23.554 1.00 0.00 H new ATOM 0 HG23 ILE D 43 103.119 -4.185 -23.314 1.00 0.00 H new ATOM 0 HD11 ILE D 43 103.424 -4.088 -18.434 1.00 0.00 H new ATOM 0 HD12 ILE D 43 102.601 -2.594 -18.943 1.00 0.00 H new ATOM 0 HD13 ILE D 43 101.737 -4.149 -18.996 1.00 0.00 H new ATOM 1742 N GLY D 44 100.416 -1.067 -22.661 1.00 0.00 N ATOM 1743 CA GLY D 44 99.399 -0.558 -23.579 1.00 0.00 C ATOM 1744 C GLY D 44 99.921 0.625 -24.385 1.00 0.00 C ATOM 1745 O GLY D 44 99.484 0.868 -25.509 1.00 0.00 O ATOM 0 H GLY D 44 100.093 -1.194 -21.702 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.087 -1.353 -24.257 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.516 -0.255 -23.015 1.00 0.00 H new ATOM 1749 N HIS D 45 100.830 1.348 -23.804 1.00 0.00 N ATOM 1750 CA HIS D 45 101.410 2.517 -24.455 1.00 0.00 C ATOM 1751 C HIS D 45 102.080 2.168 -25.786 1.00 0.00 C ATOM 1752 O HIS D 45 102.186 3.022 -26.668 1.00 0.00 O ATOM 1753 CB HIS D 45 102.442 3.171 -23.536 1.00 0.00 C ATOM 1754 CG HIS D 45 103.044 4.352 -24.248 1.00 0.00 C ATOM 1755 ND1 HIS D 45 104.403 4.450 -24.503 1.00 0.00 N ATOM 1756 CD2 HIS D 45 102.477 5.478 -24.793 1.00 0.00 C ATOM 1757 CE1 HIS D 45 104.606 5.597 -25.176 1.00 0.00 C ATOM 1758 NE2 HIS D 45 103.465 6.261 -25.378 1.00 0.00 N ATOM 0 H HIS D 45 101.198 1.159 -22.872 1.00 0.00 H new ATOM 0 HA HIS D 45 100.591 3.207 -24.659 1.00 0.00 H new ATOM 0 HB2 HIS D 45 101.971 3.490 -22.606 1.00 0.00 H new ATOM 0 HB3 HIS D 45 103.219 2.454 -23.270 1.00 0.00 H new ATOM 0 HD2 HIS D 45 101.424 5.718 -24.770 1.00 0.00 H new ATOM 0 HE1 HIS D 45 105.574 5.939 -25.512 1.00 0.00 H new ATOM 0 HE2 HIS D 45 103.344 7.152 -25.859 1.00 0.00 H new ATOM 1767 N LEU D 46 102.560 0.959 -25.917 1.00 0.00 N ATOM 1768 CA LEU D 46 103.256 0.557 -27.119 1.00 0.00 C ATOM 1769 C LEU D 46 102.495 0.936 -28.398 1.00 0.00 C ATOM 1770 O LEU D 46 103.116 1.223 -29.421 1.00 0.00 O ATOM 1771 CB LEU D 46 103.551 -0.945 -27.022 1.00 0.00 C ATOM 1772 CG LEU D 46 102.408 -1.849 -27.553 1.00 0.00 C ATOM 1773 CD1 LEU D 46 101.003 -1.455 -27.029 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.411 -1.921 -29.103 1.00 0.00 C ATOM 0 H LEU D 46 102.483 0.231 -25.206 1.00 0.00 H new ATOM 0 HA LEU D 46 104.197 1.102 -27.193 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.461 -1.163 -27.580 1.00 0.00 H new ATOM 0 HB3 LEU D 46 103.747 -1.200 -25.980 1.00 0.00 H new ATOM 0 HG LEU D 46 102.618 -2.841 -27.153 1.00 0.00 H new ATOM 0 HD11 LEU D 46 100.257 -2.133 -27.444 1.00 0.00 H new ATOM 0 HD12 LEU D 46 100.989 -1.522 -25.941 1.00 0.00 H new ATOM 0 HD13 LEU D 46 100.775 -0.433 -27.333 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.597 -2.563 -29.439 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.277 -0.920 -29.514 1.00 0.00 H new ATOM 0 HD23 LEU D 46 103.361 -2.330 -29.446 1.00 0.00 H new ATOM 1786 N ASN D 47 101.192 0.937 -28.352 1.00 0.00 N ATOM 1787 CA ASN D 47 100.392 1.286 -29.531 1.00 0.00 C ATOM 1788 C ASN D 47 100.642 2.727 -29.996 1.00 0.00 C ATOM 1789 O ASN D 47 100.883 2.965 -31.181 1.00 0.00 O ATOM 1790 CB ASN D 47 98.907 1.107 -29.199 1.00 0.00 C ATOM 1791 CG ASN D 47 98.046 1.567 -30.370 1.00 0.00 C ATOM 1792 OD1 ASN D 47 97.005 2.189 -30.169 1.00 0.00 O ATOM 1793 ND2 ASN D 47 98.422 1.294 -31.587 1.00 0.00 N ATOM 0 H ASN D 47 100.647 0.703 -27.522 1.00 0.00 H new ATOM 0 HA ASN D 47 100.688 0.624 -30.344 1.00 0.00 H new ATOM 0 HB2 ASN D 47 98.701 0.060 -28.976 1.00 0.00 H new ATOM 0 HB3 ASN D 47 98.655 1.679 -28.306 1.00 0.00 H new ATOM 0 HD21 ASN D 47 97.852 1.597 -32.377 1.00 0.00 H new ATOM 0 HD22 ASN D 47 99.286 0.778 -31.750 1.00 0.00 H new ATOM 1800 N GLN D 48 100.557 3.671 -29.093 1.00 0.00 N ATOM 1801 CA GLN D 48 100.742 5.058 -29.417 1.00 0.00 C ATOM 1802 C GLN D 48 102.126 5.341 -30.012 1.00 0.00 C ATOM 1803 O GLN D 48 102.245 5.981 -31.057 1.00 0.00 O ATOM 1804 CB GLN D 48 100.534 5.875 -28.134 1.00 0.00 C ATOM 1805 CG GLN D 48 99.498 5.205 -27.215 1.00 0.00 C ATOM 1806 CD GLN D 48 98.260 4.792 -28.006 1.00 0.00 C ATOM 1807 OE1 GLN D 48 97.842 5.546 -28.986 1.00 0.00 O flip ATOM 1808 NE2 GLN D 48 97.655 3.758 -27.722 1.00 0.00 N flip ATOM 0 H GLN D 48 100.356 3.495 -28.108 1.00 0.00 H new ATOM 0 HA GLN D 48 100.017 5.340 -30.181 1.00 0.00 H new ATOM 0 HB2 GLN D 48 101.482 5.977 -27.606 1.00 0.00 H new ATOM 0 HB3 GLN D 48 100.202 6.881 -28.389 1.00 0.00 H new ATOM 0 HG2 GLN D 48 99.940 4.330 -26.739 1.00 0.00 H new ATOM 0 HG3 GLN D 48 99.214 5.892 -26.418 1.00 0.00 H new ATOM 0 HE21 GLN D 48 97.983 3.169 -26.956 1.00 0.00 H new ATOM 0 HE22 GLN D 48 96.826 3.490 -28.253 1.00 0.00 H new ATOM 1817 N ILE D 49 103.136 4.875 -29.347 1.00 0.00 N ATOM 1818 CA ILE D 49 104.510 5.075 -29.797 1.00 0.00 C ATOM 1819 C ILE D 49 104.789 4.239 -31.041 1.00 0.00 C ATOM 1820 O ILE D 49 105.233 3.095 -30.962 1.00 0.00 O ATOM 1821 CB ILE D 49 105.491 4.713 -28.669 1.00 0.00 C ATOM 1822 CG1 ILE D 49 106.932 4.836 -29.175 1.00 0.00 C ATOM 1823 CG2 ILE D 49 105.235 3.279 -28.175 1.00 0.00 C ATOM 1824 CD1 ILE D 49 107.893 4.733 -27.987 1.00 0.00 C ATOM 0 H ILE D 49 103.050 4.346 -28.479 1.00 0.00 H new ATOM 0 HA ILE D 49 104.648 6.125 -30.054 1.00 0.00 H new ATOM 0 HB ILE D 49 105.339 5.403 -27.839 1.00 0.00 H new ATOM 0 HG12 ILE D 49 107.144 4.049 -29.899 1.00 0.00 H new ATOM 0 HG13 ILE D 49 107.070 5.788 -29.688 1.00 0.00 H new ATOM 0 HG21 ILE D 49 105.937 3.038 -27.377 1.00 0.00 H new ATOM 0 HG22 ILE D 49 104.216 3.201 -27.797 1.00 0.00 H new ATOM 0 HG23 ILE D 49 105.370 2.580 -29.000 1.00 0.00 H new ATOM 0 HD11 ILE D 49 108.920 4.820 -28.341 1.00 0.00 H new ATOM 0 HD12 ILE D 49 107.684 5.535 -27.279 1.00 0.00 H new ATOM 0 HD13 ILE D 49 107.760 3.770 -27.494 1.00 0.00 H new ATOM 1836 N LYS D 50 104.525 4.821 -32.169 1.00 0.00 N ATOM 1837 CA LYS D 50 104.743 4.145 -33.447 1.00 0.00 C ATOM 1838 C LYS D 50 104.198 2.713 -33.396 1.00 0.00 C ATOM 1839 O LYS D 50 103.131 2.469 -32.834 1.00 0.00 O ATOM 1840 CB LYS D 50 106.246 4.132 -33.777 1.00 0.00 C ATOM 1841 CG LYS D 50 106.459 4.053 -35.296 1.00 0.00 C ATOM 1842 CD LYS D 50 107.936 3.773 -35.596 1.00 0.00 C ATOM 1843 CE LYS D 50 108.793 4.975 -35.184 1.00 0.00 C ATOM 1844 NZ LYS D 50 110.132 4.877 -35.834 1.00 0.00 N ATOM 0 H LYS D 50 104.155 5.768 -32.250 1.00 0.00 H new ATOM 0 HA LYS D 50 104.210 4.687 -34.229 1.00 0.00 H new ATOM 0 HB2 LYS D 50 106.719 5.031 -33.383 1.00 0.00 H new ATOM 0 HB3 LYS D 50 106.724 3.281 -33.291 1.00 0.00 H new ATOM 0 HG2 LYS D 50 105.836 3.265 -35.720 1.00 0.00 H new ATOM 0 HG3 LYS D 50 106.153 4.988 -35.765 1.00 0.00 H new ATOM 0 HD2 LYS D 50 108.262 2.883 -35.059 1.00 0.00 H new ATOM 0 HD3 LYS D 50 108.067 3.570 -36.659 1.00 0.00 H new ATOM 0 HE2 LYS D 50 108.302 5.903 -35.477 1.00 0.00 H new ATOM 0 HE3 LYS D 50 108.904 5.002 -34.100 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 110.714 5.692 -35.555 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 110.600 3.998 -35.534 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 110.017 4.872 -36.868 1.00 0.00 H new ATOM 1858 N ARG D 51 104.927 1.791 -33.968 1.00 0.00 N ATOM 1859 CA ARG D 51 104.507 0.392 -33.975 1.00 0.00 C ATOM 1860 C ARG D 51 105.597 -0.493 -34.574 1.00 0.00 C ATOM 1861 O ARG D 51 105.578 -1.713 -34.414 1.00 0.00 O ATOM 1862 CB ARG D 51 103.219 0.231 -34.786 1.00 0.00 C ATOM 1863 CG ARG D 51 103.446 0.728 -36.214 1.00 0.00 C ATOM 1864 CD ARG D 51 102.124 0.683 -36.982 1.00 0.00 C ATOM 1865 NE ARG D 51 102.334 1.072 -38.373 1.00 0.00 N ATOM 1866 CZ ARG D 51 102.556 2.315 -38.698 1.00 0.00 C ATOM 1867 NH1 ARG D 51 102.593 3.235 -37.775 1.00 0.00 N ATOM 1868 NH2 ARG D 51 102.741 2.638 -39.949 1.00 0.00 N ATOM 0 H ARG D 51 105.815 1.971 -34.437 1.00 0.00 H new ATOM 0 HA ARG D 51 104.327 0.086 -32.945 1.00 0.00 H new ATOM 0 HB2 ARG D 51 102.914 -0.815 -34.799 1.00 0.00 H new ATOM 0 HB3 ARG D 51 102.411 0.793 -34.319 1.00 0.00 H new ATOM 0 HG2 ARG D 51 103.837 1.746 -36.199 1.00 0.00 H new ATOM 0 HG3 ARG D 51 104.191 0.108 -36.713 1.00 0.00 H new ATOM 0 HD2 ARG D 51 101.704 -0.322 -36.938 1.00 0.00 H new ATOM 0 HD3 ARG D 51 101.401 1.352 -36.515 1.00 0.00 H new ATOM 0 HE ARG D 51 102.307 0.360 -39.103 1.00 0.00 H new ATOM 0 HH11 ARG D 51 102.448 2.983 -36.797 1.00 0.00 H new ATOM 0 HH12 ARG D 51 102.767 4.207 -38.031 1.00 0.00 H new ATOM 0 HH21 ARG D 51 102.712 1.918 -40.671 1.00 0.00 H new ATOM 0 HH22 ARG D 51 102.915 3.610 -40.204 1.00 0.00 H new ATOM 1882 N GLY D 52 106.528 0.120 -35.252 1.00 0.00 N ATOM 1883 CA GLY D 52 107.620 -0.621 -35.872 1.00 0.00 C ATOM 1884 C GLY D 52 107.086 -1.748 -36.749 1.00 0.00 C ATOM 0 H GLY D 52 106.563 1.129 -35.396 1.00 0.00 H new ATOM 0 HA2 GLY D 52 108.228 0.055 -36.473 1.00 0.00 H new ATOM 0 HA3 GLY D 52 108.270 -1.033 -35.100 1.00 0.00 H new TER 1888 GLY D 52