USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 728 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: A 37 CYS SG : rot -97:sc= -8.98! USER MOD Set 1.2: A 47 CYS SG : rot -94:sc= -15.4! USER MOD Set 2.1: A 27 GLN : amide:sc= -0.0448 X(o=0.24,f=0.29) USER MOD Set 2.2: A 32 TYR OH : rot -15:sc= 0.288 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 8 THR OG1 : rot -140:sc= -4.39! USER MOD Single : A 10 SER OG : rot 170:sc= -0.404 USER MOD Single : A 11 SER OG : rot 41:sc= 1.16 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 0.0722 (180deg=0.0173) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0425 USER MOD Single : A 36 GLN : amide:sc= -21.4! C(o=-21!,f=-22!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.08! C(o=-7.1!,f=-23!) USER MOD Single : A 53 SER OG : rot -160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00766 X(o=-0.0077,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.543 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 96:sc= -4.2! USER MOD Single : A 72 SER OG : rot -116:sc= -0.0285 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0929 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.56) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -8.06! C(o=-8.7!,f=-8.1!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.346 14.957 -5.381 1.00 0.00 N ATOM 2 CA ALA A 1 1.795 14.994 -5.377 1.00 0.00 C ATOM 3 C ALA A 1 2.337 13.862 -4.516 1.00 0.00 C ATOM 4 O ALA A 1 2.052 13.797 -3.322 1.00 0.00 O ATOM 5 CB ALA A 1 2.266 16.347 -4.851 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.019 15.732 -5.970 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.023 14.047 -5.767 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.007 15.066 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 1 2.170 14.863 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.356 16.377 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.884 17.140 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.896 16.492 -3.836 1.00 0.00 H new ATOM 11 N ALA A 2 3.121 12.969 -5.125 1.00 0.00 N ATOM 12 CA ALA A 2 3.696 11.846 -4.414 1.00 0.00 C ATOM 13 C ALA A 2 5.008 12.264 -3.765 1.00 0.00 C ATOM 14 O ALA A 2 5.958 12.623 -4.457 1.00 0.00 O ATOM 15 CB ALA A 2 3.917 10.690 -5.384 1.00 0.00 C ATOM 0 H ALA A 2 3.368 13.011 -6.114 1.00 0.00 H new ATOM 0 HA ALA A 2 3.013 11.519 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.350 9.844 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.963 10.394 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.596 11.005 -6.176 1.00 0.00 H new ATOM 21 N PRO A 3 5.059 12.217 -2.432 1.00 0.00 N ATOM 22 CA PRO A 3 6.220 12.575 -1.646 1.00 0.00 C ATOM 23 C PRO A 3 7.288 11.502 -1.795 1.00 0.00 C ATOM 24 O PRO A 3 7.098 10.531 -2.524 1.00 0.00 O ATOM 25 CB PRO A 3 5.712 12.647 -0.208 1.00 0.00 C ATOM 26 CG PRO A 3 4.574 11.627 -0.200 1.00 0.00 C ATOM 27 CD PRO A 3 3.960 11.799 -1.587 1.00 0.00 C ATOM 0 HA PRO A 3 6.670 13.517 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.491 12.390 0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.361 13.647 0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.940 10.613 -0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.852 11.832 0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.520 10.867 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.164 12.544 -1.577 1.00 0.00 H new ATOM 35 N THR A 4 8.416 11.679 -1.104 1.00 0.00 N ATOM 36 CA THR A 4 9.505 10.725 -1.166 1.00 0.00 C ATOM 37 C THR A 4 9.485 9.833 0.067 1.00 0.00 C ATOM 38 O THR A 4 9.800 10.283 1.167 1.00 0.00 O ATOM 39 CB THR A 4 10.831 11.473 -1.271 1.00 0.00 C ATOM 40 OG1 THR A 4 11.094 11.775 -2.623 1.00 0.00 O ATOM 41 CG2 THR A 4 11.953 10.601 -0.716 1.00 0.00 C ATOM 0 H THR A 4 8.591 12.479 -0.496 1.00 0.00 H new ATOM 0 HA THR A 4 9.388 10.093 -2.047 1.00 0.00 H new ATOM 0 HB THR A 4 10.773 12.398 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.945 12.257 -2.691 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.900 11.135 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.750 10.368 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.012 9.676 -1.289 1.00 0.00 H new ATOM 49 N ALA A 5 9.114 8.564 -0.119 1.00 0.00 N ATOM 50 CA ALA A 5 9.054 7.617 0.976 1.00 0.00 C ATOM 51 C ALA A 5 9.995 6.453 0.703 1.00 0.00 C ATOM 52 O ALA A 5 10.165 6.046 -0.445 1.00 0.00 O ATOM 53 CB ALA A 5 7.620 7.126 1.144 1.00 0.00 C ATOM 0 H ALA A 5 8.851 8.176 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 5 9.368 8.102 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.574 6.413 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.968 7.973 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.292 6.640 0.225 1.00 0.00 H new ATOM 59 N THR A 6 10.608 5.916 1.760 1.00 0.00 N ATOM 60 CA THR A 6 11.526 4.803 1.624 1.00 0.00 C ATOM 61 C THR A 6 10.893 3.537 2.184 1.00 0.00 C ATOM 62 O THR A 6 10.627 3.449 3.381 1.00 0.00 O ATOM 63 CB THR A 6 12.826 5.125 2.354 1.00 0.00 C ATOM 64 OG1 THR A 6 12.545 5.915 3.487 1.00 0.00 O ATOM 65 CG2 THR A 6 13.759 5.890 1.419 1.00 0.00 C ATOM 0 H THR A 6 10.479 6.241 2.718 1.00 0.00 H new ATOM 0 HA THR A 6 11.747 4.638 0.570 1.00 0.00 H new ATOM 0 HB THR A 6 13.306 4.198 2.667 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.380 6.121 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.688 6.120 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.976 5.280 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.280 6.817 1.105 1.00 0.00 H new ATOM 73 N VAL A 7 10.651 2.554 1.313 1.00 0.00 N ATOM 74 CA VAL A 7 10.052 1.300 1.722 1.00 0.00 C ATOM 75 C VAL A 7 11.068 0.175 1.584 1.00 0.00 C ATOM 76 O VAL A 7 11.984 0.260 0.768 1.00 0.00 O ATOM 77 CB VAL A 7 8.819 1.023 0.867 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.176 2.345 0.459 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.230 0.251 -0.383 1.00 0.00 C ATOM 0 H VAL A 7 10.865 2.612 0.317 1.00 0.00 H new ATOM 0 HA VAL A 7 9.747 1.362 2.767 1.00 0.00 H new ATOM 0 HB VAL A 7 8.104 0.433 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.295 2.148 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.882 2.898 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.891 2.935 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.349 0.053 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.945 0.841 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.690 -0.693 -0.092 1.00 0.00 H new ATOM 89 N THR A 8 10.905 -0.882 2.383 1.00 0.00 N ATOM 90 CA THR A 8 11.808 -2.014 2.342 1.00 0.00 C ATOM 91 C THR A 8 11.647 -2.758 1.024 1.00 0.00 C ATOM 92 O THR A 8 10.776 -2.426 0.223 1.00 0.00 O ATOM 93 CB THR A 8 11.520 -2.937 3.522 1.00 0.00 C ATOM 94 OG1 THR A 8 12.737 -3.353 4.101 1.00 0.00 O ATOM 95 CG2 THR A 8 10.744 -4.158 3.037 1.00 0.00 C ATOM 0 H THR A 8 10.151 -0.969 3.065 1.00 0.00 H new ATOM 0 HA THR A 8 12.838 -1.664 2.414 1.00 0.00 H new ATOM 0 HB THR A 8 10.928 -2.402 4.265 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.674 -4.298 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.539 -4.817 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.803 -3.837 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.335 -4.693 2.294 1.00 0.00 H new ATOM 103 N PRO A 9 12.490 -3.769 0.802 1.00 0.00 N ATOM 104 CA PRO A 9 12.484 -4.589 -0.391 1.00 0.00 C ATOM 105 C PRO A 9 11.273 -5.511 -0.371 1.00 0.00 C ATOM 106 O PRO A 9 11.147 -6.353 0.514 1.00 0.00 O ATOM 107 CB PRO A 9 13.783 -5.390 -0.322 1.00 0.00 C ATOM 108 CG PRO A 9 14.015 -5.529 1.182 1.00 0.00 C ATOM 109 CD PRO A 9 13.525 -4.187 1.722 1.00 0.00 C ATOM 0 HA PRO A 9 12.423 -4.003 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.686 -6.361 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.606 -4.869 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.455 -6.364 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.066 -5.700 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.136 -4.288 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.335 -3.458 1.763 1.00 0.00 H new ATOM 117 N SER A 10 10.381 -5.348 -1.351 1.00 0.00 N ATOM 118 CA SER A 10 9.187 -6.164 -1.439 1.00 0.00 C ATOM 119 C SER A 10 9.236 -7.015 -2.700 1.00 0.00 C ATOM 120 O SER A 10 8.260 -7.083 -3.444 1.00 0.00 O ATOM 121 CB SER A 10 7.955 -5.263 -1.442 1.00 0.00 C ATOM 122 OG SER A 10 7.029 -5.731 -0.487 1.00 0.00 O ATOM 0 H SER A 10 10.472 -4.654 -2.093 1.00 0.00 H new ATOM 0 HA SER A 10 9.132 -6.829 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.241 -4.236 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.500 -5.255 -2.432 1.00 0.00 H new ATOM 0 HG SER A 10 6.315 -5.070 -0.372 1.00 0.00 H new ATOM 128 N SER A 11 10.376 -7.667 -2.938 1.00 0.00 N ATOM 129 CA SER A 11 10.544 -8.511 -4.104 1.00 0.00 C ATOM 130 C SER A 11 10.940 -9.916 -3.673 1.00 0.00 C ATOM 131 O SER A 11 12.078 -10.146 -3.269 1.00 0.00 O ATOM 132 CB SER A 11 11.605 -7.907 -5.020 1.00 0.00 C ATOM 133 OG SER A 11 12.841 -7.866 -4.342 1.00 0.00 O ATOM 0 H SER A 11 11.195 -7.621 -2.331 1.00 0.00 H new ATOM 0 HA SER A 11 9.603 -8.573 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.696 -8.500 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.310 -6.902 -5.323 1.00 0.00 H new ATOM 0 HG SER A 11 12.961 -8.693 -3.831 1.00 0.00 H new ATOM 139 N GLY A 12 9.998 -10.858 -3.760 1.00 0.00 N ATOM 140 CA GLY A 12 10.258 -12.231 -3.379 1.00 0.00 C ATOM 141 C GLY A 12 9.927 -12.442 -1.908 1.00 0.00 C ATOM 142 O GLY A 12 10.519 -13.297 -1.252 1.00 0.00 O ATOM 0 H GLY A 12 9.049 -10.686 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.662 -12.905 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.305 -12.475 -3.562 1.00 0.00 H new ATOM 146 N LEU A 13 8.978 -11.659 -1.390 1.00 0.00 N ATOM 147 CA LEU A 13 8.573 -11.763 -0.002 1.00 0.00 C ATOM 148 C LEU A 13 7.293 -12.579 0.103 1.00 0.00 C ATOM 149 O LEU A 13 6.357 -12.373 -0.666 1.00 0.00 O ATOM 150 CB LEU A 13 8.371 -10.364 0.573 1.00 0.00 C ATOM 151 CG LEU A 13 9.465 -9.436 0.052 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.782 -8.380 1.107 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.721 -10.249 -0.248 1.00 0.00 C ATOM 0 H LEU A 13 8.479 -10.945 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 13 9.350 -12.269 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.390 -9.982 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.398 -10.400 1.662 1.00 0.00 H new ATOM 0 HG LEU A 13 9.123 -8.947 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.563 -7.717 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.885 -7.799 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.124 -8.868 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.503 -9.587 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.064 -10.739 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.495 -11.003 -1.002 1.00 0.00 H new ATOM 165 N SER A 14 7.254 -13.509 1.060 1.00 0.00 N ATOM 166 CA SER A 14 6.091 -14.349 1.261 1.00 0.00 C ATOM 167 C SER A 14 5.299 -13.857 2.464 1.00 0.00 C ATOM 168 O SER A 14 5.811 -13.087 3.274 1.00 0.00 O ATOM 169 CB SER A 14 6.537 -15.795 1.462 1.00 0.00 C ATOM 170 OG SER A 14 6.492 -16.476 0.228 1.00 0.00 O ATOM 0 H SER A 14 8.022 -13.693 1.706 1.00 0.00 H new ATOM 0 HA SER A 14 5.447 -14.300 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.548 -15.822 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.890 -16.289 2.186 1.00 0.00 H new ATOM 0 HG SER A 14 6.780 -17.404 0.356 1.00 0.00 H new ATOM 176 N ASP A 15 4.047 -14.304 2.580 1.00 0.00 N ATOM 177 CA ASP A 15 3.193 -13.907 3.682 1.00 0.00 C ATOM 178 C ASP A 15 3.962 -14.006 4.991 1.00 0.00 C ATOM 179 O ASP A 15 4.766 -14.918 5.173 1.00 0.00 O ATOM 180 CB ASP A 15 1.956 -14.801 3.712 1.00 0.00 C ATOM 181 CG ASP A 15 1.114 -14.521 4.949 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.690 -14.592 6.056 1.00 0.00 O ATOM 183 OD2 ASP A 15 -0.091 -14.242 4.765 1.00 0.00 O ATOM 0 H ASP A 15 3.608 -14.943 1.917 1.00 0.00 H new ATOM 0 HA ASP A 15 2.875 -12.873 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.359 -14.633 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.259 -15.848 3.702 1.00 0.00 H new ATOM 188 N GLY A 16 3.715 -13.065 5.905 1.00 0.00 N ATOM 189 CA GLY A 16 4.387 -13.055 7.189 1.00 0.00 C ATOM 190 C GLY A 16 5.476 -11.992 7.206 1.00 0.00 C ATOM 191 O GLY A 16 5.876 -11.527 8.271 1.00 0.00 O ATOM 0 H GLY A 16 3.051 -12.302 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.666 -12.860 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.822 -14.035 7.387 1.00 0.00 H new ATOM 195 N THR A 17 5.956 -11.607 6.022 1.00 0.00 N ATOM 196 CA THR A 17 6.994 -10.602 5.911 1.00 0.00 C ATOM 197 C THR A 17 6.417 -9.226 6.212 1.00 0.00 C ATOM 198 O THR A 17 5.269 -8.944 5.876 1.00 0.00 O ATOM 199 CB THR A 17 7.592 -10.642 4.508 1.00 0.00 C ATOM 200 OG1 THR A 17 8.097 -11.933 4.249 1.00 0.00 O ATOM 201 CG2 THR A 17 8.724 -9.623 4.407 1.00 0.00 C ATOM 0 H THR A 17 5.636 -11.982 5.129 1.00 0.00 H new ATOM 0 HA THR A 17 7.783 -10.809 6.634 1.00 0.00 H new ATOM 0 HB THR A 17 6.820 -10.400 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.383 -12.496 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.151 -9.652 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.334 -8.625 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.496 -9.864 5.137 1.00 0.00 H new ATOM 209 N VAL A 18 7.219 -8.368 6.847 1.00 0.00 N ATOM 210 CA VAL A 18 6.788 -7.028 7.190 1.00 0.00 C ATOM 211 C VAL A 18 7.559 -6.011 6.361 1.00 0.00 C ATOM 212 O VAL A 18 8.774 -5.886 6.502 1.00 0.00 O ATOM 213 CB VAL A 18 7.008 -6.789 8.681 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.504 -6.772 8.978 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.395 -5.449 9.077 1.00 0.00 C ATOM 0 H VAL A 18 8.174 -8.587 7.131 1.00 0.00 H new ATOM 0 HA VAL A 18 5.726 -6.916 6.971 1.00 0.00 H new ATOM 0 HB VAL A 18 6.534 -7.588 9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.662 -6.601 10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.942 -7.729 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.979 -5.973 8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.552 -5.278 10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.869 -4.650 8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.326 -5.461 8.865 1.00 0.00 H new ATOM 225 N VAL A 19 6.850 -5.284 5.495 1.00 0.00 N ATOM 226 CA VAL A 19 7.469 -4.283 4.649 1.00 0.00 C ATOM 227 C VAL A 19 7.599 -2.973 5.413 1.00 0.00 C ATOM 228 O VAL A 19 6.885 -2.746 6.387 1.00 0.00 O ATOM 229 CB VAL A 19 6.631 -4.094 3.389 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.329 -5.455 2.769 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.322 -3.396 3.749 1.00 0.00 C ATOM 0 H VAL A 19 5.842 -5.377 5.367 1.00 0.00 H new ATOM 0 HA VAL A 19 8.467 -4.612 4.359 1.00 0.00 H new ATOM 0 HB VAL A 19 7.183 -3.484 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.730 -5.320 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.264 -5.953 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.777 -6.066 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.722 -3.260 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.770 -4.005 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.538 -2.423 4.191 1.00 0.00 H new ATOM 241 N LYS A 20 8.515 -2.108 4.968 1.00 0.00 N ATOM 242 CA LYS A 20 8.731 -0.828 5.612 1.00 0.00 C ATOM 243 C LYS A 20 8.318 0.299 4.675 1.00 0.00 C ATOM 244 O LYS A 20 8.499 0.200 3.464 1.00 0.00 O ATOM 245 CB LYS A 20 10.201 -0.697 5.999 1.00 0.00 C ATOM 246 CG LYS A 20 10.315 0.094 7.299 1.00 0.00 C ATOM 247 CD LYS A 20 10.295 1.588 6.990 1.00 0.00 C ATOM 248 CE LYS A 20 11.689 2.171 7.203 1.00 0.00 C ATOM 249 NZ LYS A 20 12.384 2.360 5.921 1.00 0.00 N ATOM 0 H LYS A 20 9.116 -2.280 4.162 1.00 0.00 H new ATOM 0 HA LYS A 20 8.123 -0.764 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.646 -1.685 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.754 -0.195 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.491 -0.161 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.237 -0.169 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.974 1.753 5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.576 2.094 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.612 3.126 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.271 1.506 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.197 2.993 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.717 1.440 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.730 2.780 5.230 1.00 0.00 H new ATOM 263 N VAL A 21 7.760 1.372 5.241 1.00 0.00 N ATOM 264 CA VAL A 21 7.325 2.510 4.457 1.00 0.00 C ATOM 265 C VAL A 21 7.546 3.793 5.245 1.00 0.00 C ATOM 266 O VAL A 21 6.867 4.037 6.240 1.00 0.00 O ATOM 267 CB VAL A 21 5.851 2.344 4.096 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.706 2.253 2.580 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.312 1.068 4.736 1.00 0.00 C ATOM 0 H VAL A 21 7.602 1.468 6.244 1.00 0.00 H new ATOM 0 HA VAL A 21 7.907 2.567 3.537 1.00 0.00 H new ATOM 0 HB VAL A 21 5.288 3.201 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.654 2.134 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.092 3.164 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.269 1.395 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.260 0.949 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.875 0.210 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.416 1.132 5.819 1.00 0.00 H new ATOM 279 N ALA A 22 8.499 4.613 4.798 1.00 0.00 N ATOM 280 CA ALA A 22 8.805 5.864 5.462 1.00 0.00 C ATOM 281 C ALA A 22 8.703 7.014 4.469 1.00 0.00 C ATOM 282 O ALA A 22 9.385 7.015 3.447 1.00 0.00 O ATOM 283 CB ALA A 22 10.206 5.791 6.063 1.00 0.00 C ATOM 0 H ALA A 22 9.070 4.424 3.974 1.00 0.00 H new ATOM 0 HA ALA A 22 8.088 6.039 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.437 6.732 6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.250 4.976 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.933 5.613 5.271 1.00 0.00 H new ATOM 289 N GLY A 23 7.849 7.994 4.772 1.00 0.00 N ATOM 290 CA GLY A 23 7.666 9.139 3.903 1.00 0.00 C ATOM 291 C GLY A 23 8.726 10.193 4.189 1.00 0.00 C ATOM 292 O GLY A 23 9.159 10.348 5.329 1.00 0.00 O ATOM 0 H GLY A 23 7.276 8.010 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.726 8.826 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.673 9.562 4.052 1.00 0.00 H new ATOM 296 N ALA A 24 9.144 10.918 3.150 1.00 0.00 N ATOM 297 CA ALA A 24 10.150 11.951 3.293 1.00 0.00 C ATOM 298 C ALA A 24 9.861 13.090 2.326 1.00 0.00 C ATOM 299 O ALA A 24 10.020 12.936 1.117 1.00 0.00 O ATOM 300 CB ALA A 24 11.530 11.355 3.030 1.00 0.00 C ATOM 0 H ALA A 24 8.794 10.802 2.199 1.00 0.00 H new ATOM 0 HA ALA A 24 10.127 12.348 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.288 12.131 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.724 10.557 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.565 10.951 2.018 1.00 0.00 H new ATOM 306 N GLY A 25 9.436 14.237 2.860 1.00 0.00 N ATOM 307 CA GLY A 25 9.128 15.391 2.039 1.00 0.00 C ATOM 308 C GLY A 25 7.625 15.498 1.820 1.00 0.00 C ATOM 309 O GLY A 25 7.175 16.203 0.920 1.00 0.00 O ATOM 0 H GLY A 25 9.300 14.383 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.498 16.297 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.637 15.309 1.079 1.00 0.00 H new ATOM 313 N LEU A 26 6.849 14.794 2.648 1.00 0.00 N ATOM 314 CA LEU A 26 5.404 14.811 2.542 1.00 0.00 C ATOM 315 C LEU A 26 4.836 15.925 3.411 1.00 0.00 C ATOM 316 O LEU A 26 5.578 16.599 4.122 1.00 0.00 O ATOM 317 CB LEU A 26 4.847 13.456 2.968 1.00 0.00 C ATOM 318 CG LEU A 26 5.994 12.464 3.134 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.638 12.656 4.505 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.457 11.041 3.019 1.00 0.00 C ATOM 0 H LEU A 26 7.208 14.205 3.400 1.00 0.00 H new ATOM 0 HA LEU A 26 5.114 14.999 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.299 13.554 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.141 13.090 2.222 1.00 0.00 H new ATOM 0 HG LEU A 26 6.738 12.635 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.458 11.947 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.022 13.673 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.894 12.485 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.277 10.332 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.713 10.869 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.997 10.904 2.040 1.00 0.00 H new ATOM 332 N GLN A 27 3.516 16.116 3.352 1.00 0.00 N ATOM 333 CA GLN A 27 2.858 17.145 4.132 1.00 0.00 C ATOM 334 C GLN A 27 3.168 16.951 5.609 1.00 0.00 C ATOM 335 O GLN A 27 2.863 15.905 6.178 1.00 0.00 O ATOM 336 CB GLN A 27 1.353 17.084 3.882 1.00 0.00 C ATOM 337 CG GLN A 27 1.046 17.624 2.489 1.00 0.00 C ATOM 338 CD GLN A 27 -0.411 17.380 2.121 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.178 18.326 1.959 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.790 16.107 1.992 1.00 0.00 N ATOM 0 H GLN A 27 2.887 15.565 2.767 1.00 0.00 H new ATOM 0 HA GLN A 27 3.225 18.126 3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.000 16.057 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.825 17.669 4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.260 18.692 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.696 17.144 1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.115 15.357 2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.755 15.884 1.748 1.00 0.00 H new ATOM 349 N ALA A 28 3.776 17.965 6.231 1.00 0.00 N ATOM 350 CA ALA A 28 4.124 17.901 7.636 1.00 0.00 C ATOM 351 C ALA A 28 2.866 18.017 8.484 1.00 0.00 C ATOM 352 O ALA A 28 2.053 18.915 8.274 1.00 0.00 O ATOM 353 CB ALA A 28 5.104 19.023 7.967 1.00 0.00 C ATOM 0 H ALA A 28 4.034 18.839 5.774 1.00 0.00 H new ATOM 0 HA ALA A 28 4.599 16.945 7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.367 18.976 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.005 18.909 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.641 19.986 7.750 1.00 0.00 H new ATOM 359 N GLY A 29 2.705 17.105 9.446 1.00 0.00 N ATOM 360 CA GLY A 29 1.546 17.113 10.316 1.00 0.00 C ATOM 361 C GLY A 29 0.330 16.568 9.581 1.00 0.00 C ATOM 362 O GLY A 29 -0.784 16.615 10.098 1.00 0.00 O ATOM 0 H GLY A 29 3.369 16.354 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.744 16.510 11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.347 18.128 10.659 1.00 0.00 H new ATOM 366 N THR A 30 0.545 16.049 8.370 1.00 0.00 N ATOM 367 CA THR A 30 -0.534 15.499 7.575 1.00 0.00 C ATOM 368 C THR A 30 -0.664 14.006 7.838 1.00 0.00 C ATOM 369 O THR A 30 0.338 13.307 7.973 1.00 0.00 O ATOM 370 CB THR A 30 -0.261 15.765 6.097 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.238 16.647 5.590 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.314 14.450 5.325 1.00 0.00 C ATOM 0 H THR A 30 1.462 16.002 7.925 1.00 0.00 H new ATOM 0 HA THR A 30 -1.473 15.978 7.851 1.00 0.00 H new ATOM 0 HB THR A 30 0.726 16.213 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.268 16.575 4.613 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.119 14.640 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.440 13.768 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.301 14.002 5.437 1.00 0.00 H new ATOM 380 N ALA A 31 -1.904 13.519 7.912 1.00 0.00 N ATOM 381 CA ALA A 31 -2.160 12.114 8.159 1.00 0.00 C ATOM 382 C ALA A 31 -2.085 11.338 6.852 1.00 0.00 C ATOM 383 O ALA A 31 -2.421 11.867 5.794 1.00 0.00 O ATOM 384 CB ALA A 31 -3.534 11.954 8.805 1.00 0.00 C ATOM 0 H ALA A 31 -2.745 14.086 7.803 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.405 11.717 8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.728 10.898 8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.558 12.499 9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.299 12.351 8.137 1.00 0.00 H new ATOM 390 N TYR A 32 -1.643 10.081 6.926 1.00 0.00 N ATOM 391 CA TYR A 32 -1.526 9.243 5.750 1.00 0.00 C ATOM 392 C TYR A 32 -2.072 7.854 6.048 1.00 0.00 C ATOM 393 O TYR A 32 -1.732 7.257 7.067 1.00 0.00 O ATOM 394 CB TYR A 32 -0.062 9.168 5.324 1.00 0.00 C ATOM 395 CG TYR A 32 0.421 10.406 4.605 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.239 10.846 3.451 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.527 11.112 5.092 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.208 11.993 2.785 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.974 12.259 4.426 1.00 0.00 C ATOM 400 CZ TYR A 32 1.314 12.700 3.272 1.00 0.00 C ATOM 401 OH TYR A 32 1.749 13.818 2.623 1.00 0.00 O ATOM 0 H TYR A 32 -1.361 9.628 7.795 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.108 9.672 4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.557 9.005 6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.075 8.303 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.092 10.301 3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.036 10.772 5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.301 12.333 1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.827 12.804 4.802 1.00 0.00 H new ATOM 0 HH TYR A 32 1.350 13.853 1.729 1.00 0.00 H new ATOM 411 N ASP A 33 -2.921 7.340 5.156 1.00 0.00 N ATOM 412 CA ASP A 33 -3.509 6.027 5.328 1.00 0.00 C ATOM 413 C ASP A 33 -2.736 5.005 4.507 1.00 0.00 C ATOM 414 O ASP A 33 -2.762 5.045 3.279 1.00 0.00 O ATOM 415 CB ASP A 33 -4.974 6.067 4.902 1.00 0.00 C ATOM 416 CG ASP A 33 -5.866 6.488 6.062 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.619 7.591 6.596 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.777 5.699 6.392 1.00 0.00 O ATOM 0 H ASP A 33 -3.213 7.822 4.306 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.457 5.735 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.097 6.763 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.279 5.085 4.541 1.00 0.00 H new ATOM 423 N VAL A 34 -2.047 4.086 5.189 1.00 0.00 N ATOM 424 CA VAL A 34 -1.272 3.060 4.522 1.00 0.00 C ATOM 425 C VAL A 34 -2.067 1.763 4.474 1.00 0.00 C ATOM 426 O VAL A 34 -2.801 1.448 5.408 1.00 0.00 O ATOM 427 CB VAL A 34 0.047 2.859 5.262 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.162 2.596 4.253 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.375 4.113 6.066 1.00 0.00 C ATOM 0 H VAL A 34 -2.016 4.040 6.207 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.056 3.368 3.499 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.041 2.007 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.104 2.452 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.928 1.700 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.250 3.448 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.317 3.970 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.463 4.965 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.421 4.302 6.787 1.00 0.00 H new ATOM 439 N GLY A 35 -1.921 1.010 3.381 1.00 0.00 N ATOM 440 CA GLY A 35 -2.627 -0.246 3.223 1.00 0.00 C ATOM 441 C GLY A 35 -2.104 -0.995 2.006 1.00 0.00 C ATOM 442 O GLY A 35 -1.477 -0.402 1.131 1.00 0.00 O ATOM 0 H GLY A 35 -1.318 1.256 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.501 -0.857 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.695 -0.059 3.113 1.00 0.00 H new ATOM 446 N GLN A 36 -2.364 -2.303 1.951 1.00 0.00 N ATOM 447 CA GLN A 36 -1.918 -3.126 0.844 1.00 0.00 C ATOM 448 C GLN A 36 -3.091 -3.433 -0.076 1.00 0.00 C ATOM 449 O GLN A 36 -4.069 -4.047 0.346 1.00 0.00 O ATOM 450 CB GLN A 36 -1.303 -4.413 1.385 1.00 0.00 C ATOM 451 CG GLN A 36 -1.148 -5.420 0.249 1.00 0.00 C ATOM 452 CD GLN A 36 -0.825 -6.805 0.791 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.614 -7.381 1.537 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.340 -7.338 0.415 1.00 0.00 N ATOM 0 H GLN A 36 -2.884 -2.809 2.668 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.162 -2.591 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.332 -4.204 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.935 -4.829 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.067 -5.459 -0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.355 -5.095 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.961 -6.820 -0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.609 -8.263 0.749 1.00 0.00 H new ATOM 463 N CYS A 37 -2.991 -3.005 -1.336 1.00 0.00 N ATOM 464 CA CYS A 37 -4.041 -3.236 -2.308 1.00 0.00 C ATOM 465 C CYS A 37 -3.513 -4.110 -3.437 1.00 0.00 C ATOM 466 O CYS A 37 -2.356 -3.984 -3.834 1.00 0.00 O ATOM 467 CB CYS A 37 -4.538 -1.898 -2.847 1.00 0.00 C ATOM 468 SG CYS A 37 -5.206 -0.796 -1.576 1.00 0.00 S ATOM 0 H CYS A 37 -2.186 -2.495 -1.700 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.875 -3.753 -1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.716 -1.394 -3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.309 -2.083 -3.595 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.501 -0.903 -1.546 1.00 0.00 H new ATOM 473 N ALA A 38 -4.364 -4.999 -3.955 1.00 0.00 N ATOM 474 CA ALA A 38 -3.980 -5.888 -5.032 1.00 0.00 C ATOM 475 C ALA A 38 -4.925 -5.708 -6.212 1.00 0.00 C ATOM 476 O ALA A 38 -6.132 -5.566 -6.026 1.00 0.00 O ATOM 477 CB ALA A 38 -4.006 -7.330 -4.534 1.00 0.00 C ATOM 0 H ALA A 38 -5.326 -5.115 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.969 -5.649 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.717 -8.000 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.308 -7.441 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.012 -7.581 -4.197 1.00 0.00 H new ATOM 483 N TRP A 39 -4.375 -5.713 -7.428 1.00 0.00 N ATOM 484 CA TRP A 39 -5.174 -5.551 -8.626 1.00 0.00 C ATOM 485 C TRP A 39 -6.119 -6.734 -8.782 1.00 0.00 C ATOM 486 O TRP A 39 -5.684 -7.883 -8.789 1.00 0.00 O ATOM 487 CB TRP A 39 -4.254 -5.430 -9.837 1.00 0.00 C ATOM 488 CG TRP A 39 -4.810 -5.989 -11.108 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.110 -5.955 -11.472 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.109 -6.668 -12.194 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.261 -6.562 -12.701 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.056 -7.021 -13.193 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.769 -7.022 -12.437 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.696 -7.688 -14.367 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.398 -7.691 -13.612 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.356 -8.025 -14.577 1.00 0.00 C ATOM 0 H TRP A 39 -3.376 -5.828 -7.600 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.772 -4.643 -8.548 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.019 -4.377 -9.992 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.315 -5.937 -9.614 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.909 -5.519 -10.890 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.153 -6.660 -13.186 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.014 -6.774 -11.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.445 -7.940 -15.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.363 -7.951 -13.774 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.061 -8.540 -15.479 1.00 0.00 H new ATOM 507 N VAL A 40 -7.417 -6.449 -8.908 1.00 0.00 N ATOM 508 CA VAL A 40 -8.417 -7.487 -9.063 1.00 0.00 C ATOM 509 C VAL A 40 -8.890 -7.533 -10.508 1.00 0.00 C ATOM 510 O VAL A 40 -9.026 -8.610 -11.085 1.00 0.00 O ATOM 511 CB VAL A 40 -9.584 -7.213 -8.119 1.00 0.00 C ATOM 512 CG1 VAL A 40 -10.898 -7.348 -8.883 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.557 -8.218 -6.972 1.00 0.00 C ATOM 0 H VAL A 40 -7.793 -5.501 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.985 -8.456 -8.812 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.498 -6.203 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.732 -7.152 -8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.918 -6.630 -9.703 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.984 -8.358 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.391 -8.023 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.643 -9.228 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.618 -8.122 -6.426 1.00 0.00 H new ATOM 523 N ASP A 41 -9.141 -6.360 -11.094 1.00 0.00 N ATOM 524 CA ASP A 41 -9.598 -6.273 -12.467 1.00 0.00 C ATOM 525 C ASP A 41 -8.960 -5.071 -13.147 1.00 0.00 C ATOM 526 O ASP A 41 -8.341 -4.239 -12.488 1.00 0.00 O ATOM 527 CB ASP A 41 -11.120 -6.163 -12.489 1.00 0.00 C ATOM 528 CG ASP A 41 -11.756 -7.484 -12.896 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.262 -8.525 -12.411 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.723 -7.429 -13.686 1.00 0.00 O ATOM 0 H ASP A 41 -9.032 -5.458 -10.630 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.304 -7.171 -13.011 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.481 -5.870 -11.503 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.422 -5.380 -13.185 1.00 0.00 H new ATOM 535 N THR A 42 -9.110 -4.981 -14.470 1.00 0.00 N ATOM 536 CA THR A 42 -8.547 -3.881 -15.227 1.00 0.00 C ATOM 537 C THR A 42 -8.948 -2.556 -14.593 1.00 0.00 C ATOM 538 O THR A 42 -10.120 -2.187 -14.609 1.00 0.00 O ATOM 539 CB THR A 42 -9.033 -3.957 -16.672 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.577 -5.156 -17.258 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.486 -2.768 -17.456 1.00 0.00 C ATOM 0 H THR A 42 -9.619 -5.662 -15.033 1.00 0.00 H new ATOM 0 HA THR A 42 -7.459 -3.950 -15.218 1.00 0.00 H new ATOM 0 HB THR A 42 -10.123 -3.934 -16.691 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.890 -5.207 -18.185 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.833 -2.822 -18.488 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.837 -1.841 -17.003 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.396 -2.790 -17.438 1.00 0.00 H new ATOM 549 N GLY A 43 -7.970 -1.840 -14.034 1.00 0.00 N ATOM 550 CA GLY A 43 -8.229 -0.563 -13.399 1.00 0.00 C ATOM 551 C GLY A 43 -8.995 -0.766 -12.100 1.00 0.00 C ATOM 552 O GLY A 43 -9.433 0.199 -11.477 1.00 0.00 O ATOM 0 H GLY A 43 -6.993 -2.131 -14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.288 -0.051 -13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.802 0.076 -14.071 1.00 0.00 H new ATOM 556 N VAL A 44 -9.157 -2.026 -11.691 1.00 0.00 N ATOM 557 CA VAL A 44 -9.868 -2.350 -10.471 1.00 0.00 C ATOM 558 C VAL A 44 -8.948 -3.109 -9.525 1.00 0.00 C ATOM 559 O VAL A 44 -8.474 -4.194 -9.855 1.00 0.00 O ATOM 560 CB VAL A 44 -11.103 -3.181 -10.807 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.442 -4.089 -9.629 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.280 -2.251 -11.088 1.00 0.00 C ATOM 0 H VAL A 44 -8.800 -2.837 -12.196 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.188 -1.432 -9.977 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.902 -3.790 -11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.324 -4.682 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.601 -4.753 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.643 -3.481 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.163 -2.844 -11.328 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.481 -1.642 -10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.038 -1.602 -11.930 1.00 0.00 H new ATOM 572 N LEU A 45 -8.697 -2.536 -8.346 1.00 0.00 N ATOM 573 CA LEU A 45 -7.837 -3.160 -7.360 1.00 0.00 C ATOM 574 C LEU A 45 -8.544 -3.205 -6.013 1.00 0.00 C ATOM 575 O LEU A 45 -9.141 -2.217 -5.589 1.00 0.00 O ATOM 576 CB LEU A 45 -6.530 -2.380 -7.259 1.00 0.00 C ATOM 577 CG LEU A 45 -6.643 -1.341 -6.147 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.249 -0.987 -5.637 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.319 -0.085 -6.691 1.00 0.00 C ATOM 0 H LEU A 45 -9.083 -1.637 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.612 -4.182 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.703 -3.060 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.312 -1.890 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.237 -1.748 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.330 -0.245 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.765 -1.883 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.655 -0.580 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.400 0.657 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.725 0.322 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.315 -0.337 -7.055 1.00 0.00 H new ATOM 591 N ALA A 46 -8.474 -4.355 -5.338 1.00 0.00 N ATOM 592 CA ALA A 46 -9.107 -4.523 -4.045 1.00 0.00 C ATOM 593 C ALA A 46 -8.122 -4.168 -2.940 1.00 0.00 C ATOM 594 O ALA A 46 -6.912 -4.203 -3.150 1.00 0.00 O ATOM 595 CB ALA A 46 -9.588 -5.963 -3.899 1.00 0.00 C ATOM 0 H ALA A 46 -7.981 -5.182 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.967 -3.857 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.064 -6.091 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.306 -6.188 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.738 -6.640 -3.978 1.00 0.00 H new ATOM 601 N CYS A 47 -8.645 -3.825 -1.761 1.00 0.00 N ATOM 602 CA CYS A 47 -7.812 -3.466 -0.630 1.00 0.00 C ATOM 603 C CYS A 47 -8.032 -4.455 0.506 1.00 0.00 C ATOM 604 O CYS A 47 -9.079 -5.093 0.581 1.00 0.00 O ATOM 605 CB CYS A 47 -8.148 -2.046 -0.183 1.00 0.00 C ATOM 606 SG CYS A 47 -7.577 -0.762 -1.324 1.00 0.00 S ATOM 0 H CYS A 47 -9.647 -3.791 -1.572 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.762 -3.503 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.228 -1.959 -0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.705 -1.870 0.797 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.410 -0.333 -0.946 1.00 0.00 H new ATOM 611 N ASN A 48 -7.040 -4.581 1.390 1.00 0.00 N ATOM 612 CA ASN A 48 -7.132 -5.490 2.515 1.00 0.00 C ATOM 613 C ASN A 48 -6.959 -4.723 3.818 1.00 0.00 C ATOM 614 O ASN A 48 -5.862 -4.264 4.130 1.00 0.00 O ATOM 615 CB ASN A 48 -6.066 -6.573 2.380 1.00 0.00 C ATOM 616 CG ASN A 48 -5.992 -7.423 3.640 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.905 -7.397 4.463 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.903 -8.181 3.789 1.00 0.00 N ATOM 0 H ASN A 48 -6.165 -4.060 1.341 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.114 -5.962 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.292 -7.206 1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.096 -6.113 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.802 -8.773 4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.172 -8.169 3.078 1.00 0.00 H new ATOM 625 N PRO A 49 -8.047 -4.586 4.580 1.00 0.00 N ATOM 626 CA PRO A 49 -8.071 -3.891 5.849 1.00 0.00 C ATOM 627 C PRO A 49 -7.353 -4.725 6.901 1.00 0.00 C ATOM 628 O PRO A 49 -7.261 -4.323 8.059 1.00 0.00 O ATOM 629 CB PRO A 49 -9.553 -3.744 6.186 1.00 0.00 C ATOM 630 CG PRO A 49 -10.175 -4.971 5.521 1.00 0.00 C ATOM 631 CD PRO A 49 -9.351 -5.113 4.243 1.00 0.00 C ATOM 0 HA PRO A 49 -7.570 -2.924 5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.724 -3.737 7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.967 -2.816 5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.099 -5.856 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.233 -4.823 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.287 -6.155 3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.801 -4.558 3.419 1.00 0.00 H new ATOM 639 N ALA A 50 -6.845 -5.891 6.496 1.00 0.00 N ATOM 640 CA ALA A 50 -6.142 -6.775 7.403 1.00 0.00 C ATOM 641 C ALA A 50 -4.678 -6.368 7.489 1.00 0.00 C ATOM 642 O ALA A 50 -3.964 -6.796 8.393 1.00 0.00 O ATOM 643 CB ALA A 50 -6.275 -8.215 6.914 1.00 0.00 C ATOM 0 H ALA A 50 -6.913 -6.238 5.539 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.578 -6.702 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.746 -8.881 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.329 -8.492 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.845 -8.302 5.916 1.00 0.00 H new ATOM 649 N ASP A 51 -4.231 -5.537 6.544 1.00 0.00 N ATOM 650 CA ASP A 51 -2.857 -5.078 6.517 1.00 0.00 C ATOM 651 C ASP A 51 -2.823 -3.561 6.399 1.00 0.00 C ATOM 652 O ASP A 51 -1.808 -2.991 6.005 1.00 0.00 O ATOM 653 CB ASP A 51 -2.127 -5.729 5.346 1.00 0.00 C ATOM 654 CG ASP A 51 -2.955 -5.640 4.072 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.582 -4.576 3.876 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.947 -6.637 3.318 1.00 0.00 O ATOM 0 H ASP A 51 -4.811 -5.172 5.788 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.356 -5.362 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.165 -5.239 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.919 -6.774 5.577 1.00 0.00 H new ATOM 661 N PHE A 52 -3.936 -2.908 6.741 1.00 0.00 N ATOM 662 CA PHE A 52 -4.024 -1.464 6.671 1.00 0.00 C ATOM 663 C PHE A 52 -3.404 -0.847 7.917 1.00 0.00 C ATOM 664 O PHE A 52 -3.877 -1.077 9.027 1.00 0.00 O ATOM 665 CB PHE A 52 -5.487 -1.051 6.534 1.00 0.00 C ATOM 666 CG PHE A 52 -6.058 -0.429 7.786 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.491 0.739 8.309 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.157 -1.019 8.422 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.022 1.316 9.468 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.688 -0.442 9.581 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.120 0.726 10.104 1.00 0.00 C ATOM 0 H PHE A 52 -4.786 -3.366 7.069 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.475 -1.104 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.581 -0.343 5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.080 -1.927 6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.644 1.195 7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.595 -1.920 8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.584 2.217 9.872 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.535 -0.897 10.072 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.529 1.172 10.999 1.00 0.00 H new ATOM 681 N SER A 53 -2.342 -0.060 7.729 1.00 0.00 N ATOM 682 CA SER A 53 -1.665 0.585 8.836 1.00 0.00 C ATOM 683 C SER A 53 -1.977 2.075 8.835 1.00 0.00 C ATOM 684 O SER A 53 -2.679 2.564 7.952 1.00 0.00 O ATOM 685 CB SER A 53 -0.162 0.347 8.722 1.00 0.00 C ATOM 686 OG SER A 53 0.070 -0.956 8.236 1.00 0.00 O ATOM 0 H SER A 53 -1.938 0.141 6.814 1.00 0.00 H new ATOM 0 HA SER A 53 -2.016 0.161 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.284 1.082 8.052 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.312 0.474 9.695 1.00 0.00 H new ATOM 0 HG SER A 53 0.986 -1.228 8.455 1.00 0.00 H new ATOM 692 N SER A 54 -1.451 2.798 9.826 1.00 0.00 N ATOM 693 CA SER A 54 -1.673 4.226 9.932 1.00 0.00 C ATOM 694 C SER A 54 -0.430 4.902 10.491 1.00 0.00 C ATOM 695 O SER A 54 0.340 4.285 11.223 1.00 0.00 O ATOM 696 CB SER A 54 -2.880 4.486 10.829 1.00 0.00 C ATOM 697 OG SER A 54 -2.469 4.497 12.178 1.00 0.00 O ATOM 0 H SER A 54 -0.867 2.408 10.566 1.00 0.00 H new ATOM 0 HA SER A 54 -1.874 4.641 8.944 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.340 5.439 10.570 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.635 3.715 10.674 1.00 0.00 H new ATOM 0 HG SER A 54 -3.243 4.666 12.755 1.00 0.00 H new ATOM 703 N VAL A 55 -0.235 6.177 10.144 1.00 0.00 N ATOM 704 CA VAL A 55 0.910 6.931 10.612 1.00 0.00 C ATOM 705 C VAL A 55 0.703 8.412 10.328 1.00 0.00 C ATOM 706 O VAL A 55 -0.062 8.773 9.437 1.00 0.00 O ATOM 707 CB VAL A 55 2.171 6.419 9.921 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.997 6.514 8.408 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.365 7.268 10.349 1.00 0.00 C ATOM 0 H VAL A 55 -0.864 6.703 9.537 1.00 0.00 H new ATOM 0 HA VAL A 55 1.022 6.800 11.688 1.00 0.00 H new ATOM 0 HB VAL A 55 2.343 5.380 10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.898 6.148 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.144 5.909 8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.825 7.553 8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.266 6.903 9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.192 8.307 10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.490 7.201 11.430 1.00 0.00 H new ATOM 719 N THR A 56 1.387 9.269 11.089 1.00 0.00 N ATOM 720 CA THR A 56 1.272 10.703 10.911 1.00 0.00 C ATOM 721 C THR A 56 2.655 11.320 10.763 1.00 0.00 C ATOM 722 O THR A 56 3.559 11.017 11.539 1.00 0.00 O ATOM 723 CB THR A 56 0.536 11.305 12.106 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.653 10.583 12.337 1.00 0.00 O ATOM 725 CG2 THR A 56 0.197 12.763 11.812 1.00 0.00 C ATOM 0 H THR A 56 2.025 8.986 11.833 1.00 0.00 H new ATOM 0 HA THR A 56 0.704 10.916 10.005 1.00 0.00 H new ATOM 0 HB THR A 56 1.172 11.251 12.990 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.125 10.967 13.105 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.328 13.193 12.665 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.116 13.321 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.439 12.818 10.929 1.00 0.00 H new ATOM 733 N ALA A 57 2.817 12.189 9.763 1.00 0.00 N ATOM 734 CA ALA A 57 4.087 12.843 9.517 1.00 0.00 C ATOM 735 C ALA A 57 4.354 13.875 10.603 1.00 0.00 C ATOM 736 O ALA A 57 3.467 14.648 10.959 1.00 0.00 O ATOM 737 CB ALA A 57 4.061 13.500 8.140 1.00 0.00 C ATOM 0 H ALA A 57 2.076 12.451 9.113 1.00 0.00 H new ATOM 0 HA ALA A 57 4.891 12.107 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.015 13.992 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.890 12.740 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.259 14.238 8.104 1.00 0.00 H new ATOM 743 N ASP A 58 5.580 13.886 11.131 1.00 0.00 N ATOM 744 CA ASP A 58 5.955 14.820 12.173 1.00 0.00 C ATOM 745 C ASP A 58 6.154 16.206 11.575 1.00 0.00 C ATOM 746 O ASP A 58 5.897 16.415 10.391 1.00 0.00 O ATOM 747 CB ASP A 58 7.232 14.336 12.853 1.00 0.00 C ATOM 748 CG ASP A 58 8.371 14.218 11.850 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.264 14.871 10.790 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.328 13.477 12.163 1.00 0.00 O ATOM 0 H ASP A 58 6.327 13.252 10.847 1.00 0.00 H new ATOM 0 HA ASP A 58 5.162 14.878 12.918 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.511 15.029 13.646 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.054 13.369 13.323 1.00 0.00 H new ATOM 755 N ALA A 59 6.614 17.152 12.396 1.00 0.00 N ATOM 756 CA ALA A 59 6.844 18.510 11.945 1.00 0.00 C ATOM 757 C ALA A 59 7.915 18.520 10.864 1.00 0.00 C ATOM 758 O ALA A 59 7.953 19.425 10.033 1.00 0.00 O ATOM 759 CB ALA A 59 7.264 19.374 13.130 1.00 0.00 C ATOM 0 H ALA A 59 6.833 16.993 13.380 1.00 0.00 H new ATOM 0 HA ALA A 59 5.926 18.918 11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.437 20.396 12.792 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.475 19.369 13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.181 18.975 13.564 1.00 0.00 H new ATOM 765 N ASN A 60 8.787 17.509 10.875 1.00 0.00 N ATOM 766 CA ASN A 60 9.851 17.409 9.897 1.00 0.00 C ATOM 767 C ASN A 60 9.289 16.929 8.566 1.00 0.00 C ATOM 768 O ASN A 60 10.012 16.856 7.574 1.00 0.00 O ATOM 769 CB ASN A 60 10.922 16.450 10.409 1.00 0.00 C ATOM 770 CG ASN A 60 12.130 17.214 10.932 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.374 17.244 12.137 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.888 17.831 10.023 1.00 0.00 N ATOM 0 H ASN A 60 8.769 16.750 11.556 1.00 0.00 H new ATOM 0 HA ASN A 60 10.302 18.390 9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.509 15.827 11.203 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.230 15.780 9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.711 18.357 10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.644 17.777 9.034 1.00 0.00 H new ATOM 779 N GLY A 61 7.995 16.601 8.546 1.00 0.00 N ATOM 780 CA GLY A 61 7.348 16.131 7.337 1.00 0.00 C ATOM 781 C GLY A 61 7.812 14.719 7.006 1.00 0.00 C ATOM 782 O GLY A 61 7.879 14.343 5.837 1.00 0.00 O ATOM 0 H GLY A 61 7.381 16.655 9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.266 16.145 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.579 16.801 6.509 1.00 0.00 H new ATOM 786 N SER A 62 8.134 13.937 8.039 1.00 0.00 N ATOM 787 CA SER A 62 8.588 12.574 7.852 1.00 0.00 C ATOM 788 C SER A 62 7.782 11.635 8.738 1.00 0.00 C ATOM 789 O SER A 62 7.487 11.960 9.886 1.00 0.00 O ATOM 790 CB SER A 62 10.075 12.485 8.181 1.00 0.00 C ATOM 791 OG SER A 62 10.271 12.764 9.550 1.00 0.00 O ATOM 0 H SER A 62 8.085 14.234 9.014 1.00 0.00 H new ATOM 0 HA SER A 62 8.440 12.277 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.452 11.490 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.636 13.192 7.571 1.00 0.00 H new ATOM 0 HG SER A 62 11.226 12.706 9.762 1.00 0.00 H new ATOM 797 N ALA A 63 7.426 10.465 8.202 1.00 0.00 N ATOM 798 CA ALA A 63 6.657 9.486 8.943 1.00 0.00 C ATOM 799 C ALA A 63 7.323 8.121 8.839 1.00 0.00 C ATOM 800 O ALA A 63 8.167 7.905 7.973 1.00 0.00 O ATOM 801 CB ALA A 63 5.234 9.437 8.395 1.00 0.00 C ATOM 0 H ALA A 63 7.664 10.180 7.252 1.00 0.00 H new ATOM 0 HA ALA A 63 6.617 9.769 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.655 8.701 8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.770 10.418 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.259 9.158 7.342 1.00 0.00 H new ATOM 807 N SER A 64 6.942 7.200 9.727 1.00 0.00 N ATOM 808 CA SER A 64 7.503 5.864 9.729 1.00 0.00 C ATOM 809 C SER A 64 6.434 4.855 10.127 1.00 0.00 C ATOM 810 O SER A 64 5.790 5.007 11.163 1.00 0.00 O ATOM 811 CB SER A 64 8.684 5.810 10.693 1.00 0.00 C ATOM 812 OG SER A 64 8.746 7.013 11.427 1.00 0.00 O ATOM 0 H SER A 64 6.244 7.364 10.453 1.00 0.00 H new ATOM 0 HA SER A 64 7.856 5.613 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.576 4.963 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.612 5.660 10.141 1.00 0.00 H new ATOM 0 HG SER A 64 9.503 6.979 12.048 1.00 0.00 H new ATOM 818 N THR A 65 6.248 3.822 9.303 1.00 0.00 N ATOM 819 CA THR A 65 5.262 2.797 9.578 1.00 0.00 C ATOM 820 C THR A 65 5.710 1.472 8.979 1.00 0.00 C ATOM 821 O THR A 65 6.541 1.446 8.074 1.00 0.00 O ATOM 822 CB THR A 65 3.914 3.222 9.002 1.00 0.00 C ATOM 823 OG1 THR A 65 2.927 3.141 10.005 1.00 0.00 O ATOM 824 CG2 THR A 65 3.541 2.300 7.845 1.00 0.00 C ATOM 0 H THR A 65 6.773 3.681 8.440 1.00 0.00 H new ATOM 0 HA THR A 65 5.159 2.668 10.655 1.00 0.00 H new ATOM 0 HB THR A 65 3.981 4.248 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.041 3.259 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.578 2.604 7.434 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.304 2.364 7.069 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.474 1.273 8.205 1.00 0.00 H new ATOM 832 N SER A 66 5.155 0.369 9.487 1.00 0.00 N ATOM 833 CA SER A 66 5.499 -0.952 8.999 1.00 0.00 C ATOM 834 C SER A 66 4.257 -1.637 8.445 1.00 0.00 C ATOM 835 O SER A 66 3.321 -1.925 9.187 1.00 0.00 O ATOM 836 CB SER A 66 6.106 -1.770 10.135 1.00 0.00 C ATOM 837 OG SER A 66 6.479 -0.908 11.187 1.00 0.00 O ATOM 0 H SER A 66 4.465 0.374 10.238 1.00 0.00 H new ATOM 0 HA SER A 66 6.232 -0.868 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.386 -2.507 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.975 -2.321 9.776 1.00 0.00 H new ATOM 0 HG SER A 66 6.867 -1.433 11.918 1.00 0.00 H new ATOM 843 N LEU A 67 4.253 -1.899 7.136 1.00 0.00 N ATOM 844 CA LEU A 67 3.130 -2.549 6.490 1.00 0.00 C ATOM 845 C LEU A 67 3.410 -4.038 6.341 1.00 0.00 C ATOM 846 O LEU A 67 4.565 -4.458 6.349 1.00 0.00 O ATOM 847 CB LEU A 67 2.887 -1.906 5.127 1.00 0.00 C ATOM 848 CG LEU A 67 1.393 -1.925 4.816 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.011 -0.645 4.078 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.071 -3.133 3.940 1.00 0.00 C ATOM 0 H LEU A 67 5.022 -1.667 6.508 1.00 0.00 H new ATOM 0 HA LEU A 67 2.235 -2.428 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.257 -0.881 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.437 -2.445 4.355 1.00 0.00 H new ATOM 0 HG LEU A 67 0.829 -1.990 5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.056 -0.658 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.241 0.218 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.575 -0.579 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.004 -3.147 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.635 -3.068 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.344 -4.047 4.467 1.00 0.00 H new ATOM 862 N THR A 68 2.350 -4.836 6.206 1.00 0.00 N ATOM 863 CA THR A 68 2.491 -6.271 6.056 1.00 0.00 C ATOM 864 C THR A 68 2.070 -6.690 4.655 1.00 0.00 C ATOM 865 O THR A 68 1.054 -6.224 4.143 1.00 0.00 O ATOM 866 CB THR A 68 1.642 -6.977 7.109 1.00 0.00 C ATOM 867 OG1 THR A 68 0.911 -8.019 6.502 1.00 0.00 O ATOM 868 CG2 THR A 68 0.675 -5.978 7.738 1.00 0.00 C ATOM 0 H THR A 68 1.385 -4.505 6.198 1.00 0.00 H new ATOM 0 HA THR A 68 3.534 -6.553 6.198 1.00 0.00 H new ATOM 0 HB THR A 68 2.291 -7.390 7.881 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.394 -8.865 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.069 -6.483 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.239 -5.172 8.208 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.026 -5.565 6.966 1.00 0.00 H new ATOM 876 N VAL A 69 2.856 -7.572 4.034 1.00 0.00 N ATOM 877 CA VAL A 69 2.563 -8.050 2.697 1.00 0.00 C ATOM 878 C VAL A 69 2.089 -9.495 2.760 1.00 0.00 C ATOM 879 O VAL A 69 2.740 -10.338 3.372 1.00 0.00 O ATOM 880 CB VAL A 69 3.812 -7.927 1.829 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.047 -7.857 2.722 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.915 -9.143 0.912 1.00 0.00 C ATOM 0 H VAL A 69 3.702 -7.966 4.445 1.00 0.00 H new ATOM 0 HA VAL A 69 1.770 -7.447 2.255 1.00 0.00 H new ATOM 0 HB VAL A 69 3.748 -7.021 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.939 -7.769 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.973 -6.989 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.112 -8.763 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.807 -9.056 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.979 -10.049 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.033 -9.193 0.274 1.00 0.00 H new ATOM 892 N ARG A 70 0.951 -9.780 2.123 1.00 0.00 N ATOM 893 CA ARG A 70 0.396 -11.118 2.109 1.00 0.00 C ATOM 894 C ARG A 70 0.351 -11.643 0.682 1.00 0.00 C ATOM 895 O ARG A 70 0.473 -10.874 -0.269 1.00 0.00 O ATOM 896 CB ARG A 70 -1.002 -11.094 2.721 1.00 0.00 C ATOM 897 CG ARG A 70 -1.206 -9.782 3.472 1.00 0.00 C ATOM 898 CD ARG A 70 -0.111 -9.622 4.523 1.00 0.00 C ATOM 899 NE ARG A 70 -0.683 -9.513 5.865 1.00 0.00 N ATOM 900 CZ ARG A 70 -1.058 -10.580 6.583 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.914 -11.812 6.077 1.00 0.00 N ATOM 902 NH2 ARG A 70 -1.577 -10.416 7.808 1.00 0.00 N ATOM 0 H ARG A 70 0.400 -9.092 1.610 1.00 0.00 H new ATOM 0 HA ARG A 70 1.026 -11.783 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.755 -11.199 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.128 -11.937 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.181 -8.944 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.186 -9.772 3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.566 -10.475 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.482 -8.734 4.303 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.801 -8.585 6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.519 -11.938 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.199 -12.624 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.687 -9.478 8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.862 -11.229 8.354 1.00 0.00 H new ATOM 916 N ARG A 71 0.174 -12.958 0.533 1.00 0.00 N ATOM 917 CA ARG A 71 0.114 -13.579 -0.775 1.00 0.00 C ATOM 918 C ARG A 71 -1.329 -13.633 -1.255 1.00 0.00 C ATOM 919 O ARG A 71 -1.585 -13.856 -2.436 1.00 0.00 O ATOM 920 CB ARG A 71 0.712 -14.981 -0.700 1.00 0.00 C ATOM 921 CG ARG A 71 -0.131 -15.843 0.237 1.00 0.00 C ATOM 922 CD ARG A 71 0.080 -17.316 -0.101 1.00 0.00 C ATOM 923 NE ARG A 71 -1.196 -17.981 -0.368 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.138 -18.148 0.570 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.931 -17.697 1.814 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.286 -18.767 0.264 1.00 0.00 N ATOM 0 H ARG A 71 0.070 -13.609 1.312 1.00 0.00 H new ATOM 0 HA ARG A 71 0.691 -12.990 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.744 -15.428 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.740 -14.931 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.148 -15.653 1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.185 -15.583 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.729 -17.403 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.587 -17.813 0.726 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.376 -18.332 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.056 -17.227 2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.648 -17.824 2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.443 -19.111 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.003 -18.894 0.978 1.00 0.00 H new ATOM 940 N SER A 72 -2.274 -13.428 -0.334 1.00 0.00 N ATOM 941 CA SER A 72 -3.684 -13.453 -0.669 1.00 0.00 C ATOM 942 C SER A 72 -4.493 -12.822 0.456 1.00 0.00 C ATOM 943 O SER A 72 -4.166 -12.989 1.628 1.00 0.00 O ATOM 944 CB SER A 72 -4.123 -14.895 -0.908 1.00 0.00 C ATOM 945 OG SER A 72 -4.002 -15.202 -2.279 1.00 0.00 O ATOM 0 H SER A 72 -2.079 -13.243 0.650 1.00 0.00 H new ATOM 0 HA SER A 72 -3.856 -12.879 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.511 -15.576 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.155 -15.031 -0.584 1.00 0.00 H new ATOM 0 HG SER A 72 -4.888 -15.395 -2.650 1.00 0.00 H new ATOM 951 N PHE A 73 -5.554 -12.096 0.095 1.00 0.00 N ATOM 952 CA PHE A 73 -6.402 -11.447 1.075 1.00 0.00 C ATOM 953 C PHE A 73 -7.646 -10.893 0.394 1.00 0.00 C ATOM 954 O PHE A 73 -7.654 -10.688 -0.817 1.00 0.00 O ATOM 955 CB PHE A 73 -5.620 -10.333 1.764 1.00 0.00 C ATOM 956 CG PHE A 73 -4.855 -9.451 0.806 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.541 -8.715 -0.167 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.460 -9.369 0.893 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.831 -7.896 -1.054 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.751 -8.550 0.007 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.437 -7.813 -0.967 1.00 0.00 C ATOM 0 H PHE A 73 -5.840 -11.948 -0.873 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.716 -12.171 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.311 -9.717 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.922 -10.776 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.617 -8.779 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.931 -9.938 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.360 -7.328 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.675 -8.486 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.890 -7.181 -1.651 1.00 0.00 H new ATOM 971 N GLU A 74 -8.699 -10.651 1.177 1.00 0.00 N ATOM 972 CA GLU A 74 -9.939 -10.121 0.645 1.00 0.00 C ATOM 973 C GLU A 74 -9.667 -8.835 -0.123 1.00 0.00 C ATOM 974 O GLU A 74 -9.158 -7.868 0.441 1.00 0.00 O ATOM 975 CB GLU A 74 -10.917 -9.871 1.789 1.00 0.00 C ATOM 976 CG GLU A 74 -10.207 -9.117 2.910 1.00 0.00 C ATOM 977 CD GLU A 74 -9.864 -10.052 4.061 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.811 -10.433 4.783 1.00 0.00 O ATOM 979 OE2 GLU A 74 -8.663 -10.366 4.198 1.00 0.00 O ATOM 0 H GLU A 74 -8.710 -10.817 2.183 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.380 -10.843 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.771 -9.295 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.306 -10.818 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.296 -8.658 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.844 -8.309 3.270 1.00 0.00 H new ATOM 986 N GLY A 75 -10.009 -8.824 -1.413 1.00 0.00 N ATOM 987 CA GLY A 75 -9.799 -7.657 -2.246 1.00 0.00 C ATOM 988 C GLY A 75 -10.904 -6.636 -2.011 1.00 0.00 C ATOM 989 O GLY A 75 -11.949 -6.689 -2.655 1.00 0.00 O ATOM 0 H GLY A 75 -10.433 -9.616 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.829 -7.212 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.781 -7.949 -3.296 1.00 0.00 H new ATOM 993 N PHE A 76 -10.670 -5.704 -1.084 1.00 0.00 N ATOM 994 CA PHE A 76 -11.645 -4.679 -0.770 1.00 0.00 C ATOM 995 C PHE A 76 -11.513 -3.523 -1.752 1.00 0.00 C ATOM 996 O PHE A 76 -10.632 -2.679 -1.606 1.00 0.00 O ATOM 997 CB PHE A 76 -11.433 -4.198 0.663 1.00 0.00 C ATOM 998 CG PHE A 76 -12.640 -4.393 1.549 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.767 -3.579 1.385 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.630 -5.385 2.536 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.885 -3.758 2.208 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.749 -5.565 3.359 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.876 -4.751 3.195 1.00 0.00 C ATOM 0 H PHE A 76 -9.808 -5.646 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.651 -5.090 -0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.586 -4.730 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.171 -3.140 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.774 -2.813 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.760 -6.012 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.755 -3.130 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.742 -6.331 4.120 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.739 -4.889 3.830 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.394 -3.487 -2.756 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.372 -2.438 -3.755 1.00 0.00 C ATOM 1015 C LEU A 77 -12.448 -1.077 -3.077 1.00 0.00 C ATOM 1016 O LEU A 77 -13.127 -0.923 -2.064 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.541 -2.628 -4.717 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.034 -1.265 -5.194 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.979 -0.628 -6.094 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.332 -1.439 -5.977 1.00 0.00 C ATOM 0 H LEU A 77 -13.131 -4.180 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.441 -2.489 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.230 -3.233 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.349 -3.166 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.213 -0.622 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.331 0.346 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.051 -0.503 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.800 -1.271 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.685 -0.466 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.154 -2.082 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.086 -1.893 -5.335 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.749 -0.088 -3.639 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.743 1.251 -3.086 1.00 0.00 C ATOM 1034 C PHE A 78 -13.167 1.688 -2.775 1.00 0.00 C ATOM 1035 O PHE A 78 -13.425 2.266 -1.721 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.088 2.207 -4.079 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.652 2.534 -3.745 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.790 1.525 -3.300 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.182 3.845 -3.882 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.458 1.827 -2.991 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.851 4.148 -3.574 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.989 3.139 -3.128 1.00 0.00 C ATOM 0 H PHE A 78 -11.181 -0.199 -4.479 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.171 1.263 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.130 1.767 -5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.664 3.132 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.152 0.513 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.847 4.623 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.793 1.048 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.489 5.160 -3.680 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.962 3.373 -2.890 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.093 1.411 -3.695 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.484 1.777 -3.515 1.00 0.00 C ATOM 1054 C ASP A 79 -16.022 1.141 -2.242 1.00 0.00 C ATOM 1055 O ASP A 79 -17.060 1.555 -1.730 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.289 1.323 -4.729 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.487 2.234 -4.958 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.911 2.873 -3.970 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.957 2.274 -6.115 1.00 0.00 O ATOM 0 H ASP A 79 -13.895 0.932 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.572 2.859 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.652 1.324 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.629 0.298 -4.582 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.315 0.132 -1.729 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.729 -0.551 -0.520 1.00 0.00 C ATOM 1066 C GLY A 80 -16.549 -1.786 -0.866 1.00 0.00 C ATOM 1067 O GLY A 80 -17.407 -2.203 -0.091 1.00 0.00 O ATOM 0 H GLY A 80 -14.452 -0.225 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.853 -0.839 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.318 0.122 0.103 1.00 0.00 H new ATOM 1071 N THR A 81 -16.284 -2.372 -2.036 1.00 0.00 N ATOM 1072 CA THR A 81 -16.998 -3.554 -2.475 1.00 0.00 C ATOM 1073 C THR A 81 -16.088 -4.771 -2.392 1.00 0.00 C ATOM 1074 O THR A 81 -15.050 -4.819 -3.049 1.00 0.00 O ATOM 1075 CB THR A 81 -17.495 -3.346 -3.903 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.760 -2.723 -3.874 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.609 -4.697 -4.604 1.00 0.00 C ATOM 0 H THR A 81 -15.577 -2.040 -2.692 1.00 0.00 H new ATOM 0 HA THR A 81 -17.857 -3.725 -1.826 1.00 0.00 H new ATOM 0 HB THR A 81 -16.791 -2.714 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.079 -2.588 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.964 -4.549 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.632 -5.179 -4.626 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.313 -5.329 -4.063 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.480 -5.756 -1.582 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.700 -6.966 -1.416 1.00 0.00 C ATOM 1087 C ARG A 82 -15.611 -7.708 -2.742 1.00 0.00 C ATOM 1088 O ARG A 82 -16.471 -8.528 -3.056 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.346 -7.845 -0.349 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.295 -8.776 0.249 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.839 -10.201 0.284 1.00 0.00 C ATOM 1092 NE ARG A 82 -15.224 -10.971 1.365 1.00 0.00 N ATOM 1093 CZ ARG A 82 -15.576 -10.826 2.650 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -16.528 -9.946 2.989 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -14.975 -11.560 3.597 1.00 0.00 N ATOM 0 H ARG A 82 -17.339 -5.731 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.690 -6.710 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.784 -7.224 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.157 -8.428 -0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.381 -8.739 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.035 -8.450 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.920 -10.178 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.647 -10.691 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.497 -11.647 1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.985 -9.386 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.796 -9.836 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.249 -12.229 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -15.243 -11.449 4.575 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.566 -7.418 -3.522 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.374 -8.062 -4.806 1.00 0.00 C ATOM 1111 C TRP A 83 -14.180 -9.559 -4.612 1.00 0.00 C ATOM 1112 O TRP A 83 -14.940 -10.361 -5.150 1.00 0.00 O ATOM 1113 CB TRP A 83 -13.166 -7.446 -5.506 1.00 0.00 C ATOM 1114 CG TRP A 83 -13.047 -7.773 -6.960 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -13.771 -7.207 -7.950 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.163 -8.735 -7.613 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -13.399 -7.749 -9.162 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.409 -8.698 -9.013 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.179 -9.635 -7.167 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.718 -9.508 -9.919 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -10.480 -10.452 -8.067 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -10.746 -10.391 -9.440 1.00 0.00 C ATOM 0 H TRP A 83 -13.844 -6.740 -3.279 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.256 -7.910 -5.428 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -13.213 -6.363 -5.395 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.261 -7.779 -4.998 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -14.526 -6.447 -7.813 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -13.806 -7.481 -10.058 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.958 -9.698 -6.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.933 -9.452 -10.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -9.729 -11.135 -7.697 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -10.203 -11.023 -10.126 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.157 -9.935 -3.840 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.872 -11.332 -3.582 1.00 0.00 C ATOM 1135 C GLY A 84 -11.415 -11.507 -3.176 1.00 0.00 C ATOM 1136 O GLY A 84 -10.610 -10.593 -3.335 1.00 0.00 O ATOM 0 H GLY A 84 -12.517 -9.284 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.524 -11.703 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.082 -11.924 -4.473 1.00 0.00 H new ATOM 1140 N THR A 85 -11.078 -12.687 -2.651 1.00 0.00 N ATOM 1141 CA THR A 85 -9.722 -12.972 -2.228 1.00 0.00 C ATOM 1142 C THR A 85 -8.769 -12.824 -3.405 1.00 0.00 C ATOM 1143 O THR A 85 -8.773 -13.647 -4.318 1.00 0.00 O ATOM 1144 CB THR A 85 -9.656 -14.384 -1.653 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.920 -14.744 -1.143 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.622 -14.430 -0.531 1.00 0.00 C ATOM 0 H THR A 85 -11.733 -13.456 -2.512 1.00 0.00 H new ATOM 0 HA THR A 85 -9.423 -12.264 -1.455 1.00 0.00 H new ATOM 0 HB THR A 85 -9.369 -15.083 -2.439 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.878 -15.651 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.575 -15.439 -0.121 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.644 -14.153 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.907 -13.731 0.255 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.950 -11.770 -3.382 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.997 -11.518 -4.443 1.00 0.00 C ATOM 1156 C VAL A 86 -5.750 -12.363 -4.226 1.00 0.00 C ATOM 1157 O VAL A 86 -5.369 -12.630 -3.089 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.646 -10.033 -4.469 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.849 -9.720 -5.732 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.930 -9.207 -4.460 1.00 0.00 C ATOM 0 H VAL A 86 -7.935 -11.079 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.435 -11.791 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.048 -9.786 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.598 -8.659 -5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.932 -10.310 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.446 -9.967 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.680 -8.146 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.528 -9.454 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.500 -9.430 -3.558 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.114 -12.784 -5.322 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.916 -13.595 -5.246 1.00 0.00 C ATOM 1172 C ASP A 87 -2.698 -12.749 -5.586 1.00 0.00 C ATOM 1173 O ASP A 87 -2.356 -12.591 -6.756 1.00 0.00 O ATOM 1174 CB ASP A 87 -4.040 -14.775 -6.206 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.647 -15.983 -5.508 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.070 -15.813 -4.344 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.678 -17.055 -6.151 1.00 0.00 O ATOM 0 H ASP A 87 -5.417 -12.571 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.795 -13.979 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.660 -14.493 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.057 -15.034 -6.599 1.00 0.00 H new ATOM 1182 N CYS A 88 -2.043 -12.203 -4.559 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.868 -11.376 -4.752 1.00 0.00 C ATOM 1184 C CYS A 88 0.146 -12.116 -5.613 1.00 0.00 C ATOM 1185 O CYS A 88 0.974 -11.494 -6.273 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.269 -11.019 -3.395 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.280 -9.247 -3.029 1.00 0.00 S ATOM 0 H CYS A 88 -2.315 -12.325 -3.583 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.146 -10.455 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.822 -11.544 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.758 -11.381 -3.356 1.00 0.00 H new ATOM 1192 N THR A 89 0.080 -13.450 -5.604 1.00 0.00 N ATOM 1193 CA THR A 89 0.992 -14.262 -6.384 1.00 0.00 C ATOM 1194 C THR A 89 0.543 -14.296 -7.838 1.00 0.00 C ATOM 1195 O THR A 89 1.216 -14.878 -8.685 1.00 0.00 O ATOM 1196 CB THR A 89 1.042 -15.671 -5.800 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.223 -16.280 -5.933 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.418 -15.597 -4.323 1.00 0.00 C ATOM 0 H THR A 89 -0.600 -13.983 -5.061 1.00 0.00 H new ATOM 0 HA THR A 89 1.992 -13.830 -6.346 1.00 0.00 H new ATOM 0 HB THR A 89 1.787 -16.260 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.191 -17.186 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.454 -16.603 -3.906 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.396 -15.126 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.673 -15.008 -3.787 1.00 0.00 H new ATOM 1206 N THR A 90 -0.601 -13.670 -8.126 1.00 0.00 N ATOM 1207 CA THR A 90 -1.129 -13.633 -9.474 1.00 0.00 C ATOM 1208 C THR A 90 -1.146 -12.200 -9.986 1.00 0.00 C ATOM 1209 O THR A 90 -1.072 -11.967 -11.191 1.00 0.00 O ATOM 1210 CB THR A 90 -2.535 -14.227 -9.484 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.463 -15.601 -9.790 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.381 -13.515 -10.537 1.00 0.00 C ATOM 0 H THR A 90 -1.173 -13.184 -7.436 1.00 0.00 H new ATOM 0 HA THR A 90 -0.493 -14.224 -10.133 1.00 0.00 H new ATOM 0 HB THR A 90 -2.991 -14.097 -8.503 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.366 -15.983 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.385 -13.939 -10.544 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.437 -12.452 -10.301 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.925 -13.645 -11.519 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.242 -11.238 -9.066 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.269 -9.835 -9.426 1.00 0.00 C ATOM 1222 C ALA A 91 -0.144 -9.098 -8.713 1.00 0.00 C ATOM 1223 O ALA A 91 0.639 -9.709 -7.989 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.625 -9.241 -9.057 1.00 0.00 C ATOM 0 H ALA A 91 -1.302 -11.415 -8.063 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.122 -9.729 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.646 -8.185 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.412 -9.769 -9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.787 -9.344 -7.984 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.066 -7.781 -8.918 1.00 0.00 N ATOM 1231 CA ALA A 92 0.961 -6.970 -8.296 1.00 0.00 C ATOM 1232 C ALA A 92 0.415 -6.333 -7.026 1.00 0.00 C ATOM 1233 O ALA A 92 -0.723 -5.870 -7.001 1.00 0.00 O ATOM 1234 CB ALA A 92 1.428 -5.901 -9.280 1.00 0.00 C ATOM 0 H ALA A 92 -0.709 -7.260 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 92 1.813 -7.595 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.201 -5.290 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.833 -6.379 -10.172 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.584 -5.269 -9.558 1.00 0.00 H new ATOM 1240 N CYS A 93 1.231 -6.310 -5.970 1.00 0.00 N ATOM 1241 CA CYS A 93 0.828 -5.732 -4.704 1.00 0.00 C ATOM 1242 C CYS A 93 1.456 -4.355 -4.544 1.00 0.00 C ATOM 1243 O CYS A 93 2.430 -4.032 -5.221 1.00 0.00 O ATOM 1244 CB CYS A 93 1.253 -6.655 -3.566 1.00 0.00 C ATOM 1245 SG CYS A 93 1.487 -8.379 -4.066 1.00 0.00 S ATOM 0 H CYS A 93 2.178 -6.689 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.256 -5.621 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 93 2.183 -6.282 -3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.500 -6.615 -2.779 1.00 0.00 H new ATOM 1250 N GLN A 94 0.897 -3.542 -3.645 1.00 0.00 N ATOM 1251 CA GLN A 94 1.404 -2.206 -3.403 1.00 0.00 C ATOM 1252 C GLN A 94 0.765 -1.630 -2.147 1.00 0.00 C ATOM 1253 O GLN A 94 -0.458 -1.613 -2.022 1.00 0.00 O ATOM 1254 CB GLN A 94 1.107 -1.325 -4.613 1.00 0.00 C ATOM 1255 CG GLN A 94 1.521 0.113 -4.311 1.00 0.00 C ATOM 1256 CD GLN A 94 0.539 1.101 -4.923 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.079 0.812 -5.945 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.398 2.271 -4.295 1.00 0.00 N ATOM 0 H GLN A 94 0.090 -3.795 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 94 2.483 -2.244 -3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.646 -1.694 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.045 -1.366 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.569 0.263 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.521 0.298 -4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.934 2.464 -3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.246 2.972 -4.661 1.00 0.00 H new ATOM 1267 N VAL A 95 1.596 -1.158 -1.216 1.00 0.00 N ATOM 1268 CA VAL A 95 1.111 -0.584 0.023 1.00 0.00 C ATOM 1269 C VAL A 95 1.060 0.932 -0.096 1.00 0.00 C ATOM 1270 O VAL A 95 1.655 1.505 -1.006 1.00 0.00 O ATOM 1271 CB VAL A 95 2.024 -1.007 1.171 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.971 0.044 2.276 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.558 -2.351 1.723 1.00 0.00 C ATOM 0 H VAL A 95 2.612 -1.166 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 95 0.103 -0.946 0.226 1.00 0.00 H new ATOM 0 HB VAL A 95 3.047 -1.100 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.623 -0.257 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.304 1.004 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.948 0.137 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.210 -2.653 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.535 -2.260 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.596 -3.102 0.933 1.00 0.00 H new ATOM 1283 N GLY A 96 0.347 1.583 0.826 1.00 0.00 N ATOM 1284 CA GLY A 96 0.226 3.027 0.815 1.00 0.00 C ATOM 1285 C GLY A 96 -0.552 3.501 2.034 1.00 0.00 C ATOM 1286 O GLY A 96 -1.162 2.697 2.735 1.00 0.00 O ATOM 0 H GLY A 96 -0.153 1.124 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.217 3.482 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.279 3.350 -0.095 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.529 4.812 2.286 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.231 5.386 3.417 1.00 0.00 C ATOM 1292 C LEU A 97 -2.043 6.591 2.963 1.00 0.00 C ATOM 1293 O LEU A 97 -1.515 7.489 2.311 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.222 5.787 4.490 1.00 0.00 C ATOM 1295 CG LEU A 97 0.711 6.859 3.934 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.847 7.991 4.949 1.00 0.00 C ATOM 1297 CD2 LEU A 97 2.084 6.249 3.666 1.00 0.00 C ATOM 0 H LEU A 97 -0.027 5.492 1.714 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.916 4.649 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.742 6.163 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.354 4.917 4.807 1.00 0.00 H new ATOM 0 HG LEU A 97 0.300 7.252 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.513 8.757 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.133 8.427 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.258 7.598 5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.751 7.014 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.495 5.856 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.988 5.440 2.942 1.00 0.00 H new ATOM 1309 N SER A 98 -3.332 6.608 3.310 1.00 0.00 N ATOM 1310 CA SER A 98 -4.208 7.701 2.939 1.00 0.00 C ATOM 1311 C SER A 98 -4.713 8.406 4.190 1.00 0.00 C ATOM 1312 O SER A 98 -4.993 7.762 5.198 1.00 0.00 O ATOM 1313 CB SER A 98 -5.373 7.160 2.115 1.00 0.00 C ATOM 1314 OG SER A 98 -4.928 6.865 0.810 1.00 0.00 O ATOM 0 H SER A 98 -3.785 5.870 3.849 1.00 0.00 H new ATOM 0 HA SER A 98 -3.658 8.424 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.779 6.264 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.179 7.893 2.079 1.00 0.00 H new ATOM 0 HG SER A 98 -5.675 6.516 0.281 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.830 9.734 4.122 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.300 10.519 5.246 1.00 0.00 C ATOM 1322 C ASP A 99 -6.779 10.830 5.074 1.00 0.00 C ATOM 1323 O ASP A 99 -7.483 10.127 4.352 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.484 11.805 5.344 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.086 12.898 4.472 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.269 12.625 3.266 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.351 13.986 5.027 1.00 0.00 O ATOM 0 H ASP A 99 -4.602 10.283 3.293 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.173 9.953 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.448 12.140 6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.456 11.613 5.036 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.251 11.886 5.741 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.642 12.282 5.660 1.00 0.00 C ATOM 1334 C ALA A 100 -8.958 12.769 4.253 1.00 0.00 C ATOM 1335 O ALA A 100 -9.952 12.357 3.660 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.919 13.377 6.686 1.00 0.00 C ATOM 0 H ALA A 100 -6.680 12.479 6.343 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.281 11.427 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.966 13.676 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.706 13.000 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.283 14.238 6.480 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.108 13.650 3.719 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.301 14.188 2.388 1.00 0.00 C ATOM 1344 C ALA A 101 -8.058 13.101 1.352 1.00 0.00 C ATOM 1345 O ALA A 101 -8.595 13.161 0.248 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.352 15.363 2.173 1.00 0.00 C ATOM 0 H ALA A 101 -7.279 14.001 4.198 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.326 14.542 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.496 15.769 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.559 16.137 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.322 15.023 2.282 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.245 12.104 1.708 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.938 11.012 0.805 1.00 0.00 C ATOM 1354 C GLY A 102 -5.617 11.272 0.094 1.00 0.00 C ATOM 1355 O GLY A 102 -5.530 11.142 -1.125 1.00 0.00 O ATOM 0 H GLY A 102 -6.791 12.038 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.882 10.076 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.738 10.901 0.073 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.587 11.639 0.860 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.280 11.914 0.299 1.00 0.00 C ATOM 1361 C ASN A 103 -2.246 10.980 0.912 1.00 0.00 C ATOM 1362 O ASN A 103 -2.491 10.375 1.954 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.912 13.372 0.560 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.385 13.813 1.938 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.809 13.222 2.987 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -4.257 14.672 2.051 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.642 11.750 1.872 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.300 11.744 -0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.832 13.498 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.361 14.007 -0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.667 15.095 1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.570 14.962 2.977 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.085 10.863 0.263 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.024 10.004 0.750 1.00 0.00 C ATOM 1375 C GLY A 104 1.252 10.239 -0.045 1.00 0.00 C ATOM 1376 O GLY A 104 1.260 11.020 -0.994 1.00 0.00 O ATOM 0 H GLY A 104 -0.864 11.357 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.156 10.201 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.325 8.960 0.667 1.00 0.00 H new ATOM 1380 N PRO A 105 2.333 9.559 0.344 1.00 0.00 N ATOM 1381 CA PRO A 105 3.629 9.654 -0.292 1.00 0.00 C ATOM 1382 C PRO A 105 3.588 8.952 -1.642 1.00 0.00 C ATOM 1383 O PRO A 105 2.662 8.194 -1.921 1.00 0.00 O ATOM 1384 CB PRO A 105 4.587 8.946 0.664 1.00 0.00 C ATOM 1385 CG PRO A 105 3.692 7.899 1.327 1.00 0.00 C ATOM 1386 CD PRO A 105 2.359 8.633 1.455 1.00 0.00 C ATOM 0 HA PRO A 105 3.936 10.683 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.422 8.487 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.013 9.635 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.602 6.999 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.080 7.591 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.520 7.938 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.287 9.158 2.408 1.00 0.00 H new ATOM 1394 N GLU A 106 4.595 9.208 -2.481 1.00 0.00 N ATOM 1395 CA GLU A 106 4.665 8.600 -3.794 1.00 0.00 C ATOM 1396 C GLU A 106 4.183 7.157 -3.726 1.00 0.00 C ATOM 1397 O GLU A 106 4.547 6.421 -2.811 1.00 0.00 O ATOM 1398 CB GLU A 106 6.100 8.666 -4.308 1.00 0.00 C ATOM 1399 CG GLU A 106 6.979 7.730 -3.485 1.00 0.00 C ATOM 1400 CD GLU A 106 8.418 8.225 -3.452 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.593 9.449 -3.269 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.316 7.370 -3.610 1.00 0.00 O ATOM 0 H GLU A 106 5.370 9.835 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 106 4.019 9.144 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.134 8.383 -5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.475 9.687 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.591 7.660 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.945 6.726 -3.909 1.00 0.00 H new ATOM 1409 N GLY A 107 3.361 6.753 -4.697 1.00 0.00 N ATOM 1410 CA GLY A 107 2.838 5.402 -4.738 1.00 0.00 C ATOM 1411 C GLY A 107 3.959 4.395 -4.523 1.00 0.00 C ATOM 1412 O GLY A 107 5.097 4.635 -4.922 1.00 0.00 O ATOM 0 H GLY A 107 3.048 7.350 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.075 5.277 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.356 5.220 -5.699 1.00 0.00 H new ATOM 1416 N VAL A 108 3.634 3.266 -3.890 1.00 0.00 N ATOM 1417 CA VAL A 108 4.612 2.230 -3.625 1.00 0.00 C ATOM 1418 C VAL A 108 4.099 0.893 -4.141 1.00 0.00 C ATOM 1419 O VAL A 108 3.231 0.279 -3.525 1.00 0.00 O ATOM 1420 CB VAL A 108 4.885 2.161 -2.125 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.521 0.817 -1.784 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.834 3.288 -1.729 1.00 0.00 C ATOM 0 H VAL A 108 2.695 3.053 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 108 5.544 2.463 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 108 3.947 2.267 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.716 0.768 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.843 0.012 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.459 0.710 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.030 3.239 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.772 3.182 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.380 4.249 -1.972 1.00 0.00 H new ATOM 1432 N ALA A 109 4.638 0.444 -5.277 1.00 0.00 N ATOM 1433 CA ALA A 109 4.233 -0.815 -5.870 1.00 0.00 C ATOM 1434 C ALA A 109 5.081 -1.946 -5.308 1.00 0.00 C ATOM 1435 O ALA A 109 6.188 -1.715 -4.827 1.00 0.00 O ATOM 1436 CB ALA A 109 4.378 -0.731 -7.387 1.00 0.00 C ATOM 0 H ALA A 109 5.358 0.942 -5.800 1.00 0.00 H new ATOM 0 HA ALA A 109 3.189 -1.017 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.074 -1.677 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.746 0.071 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.418 -0.527 -7.642 1.00 0.00 H new ATOM 1442 N ILE A 110 4.559 -3.174 -5.371 1.00 0.00 N ATOM 1443 CA ILE A 110 5.268 -4.334 -4.871 1.00 0.00 C ATOM 1444 C ILE A 110 5.318 -5.410 -5.947 1.00 0.00 C ATOM 1445 O ILE A 110 4.625 -5.312 -6.957 1.00 0.00 O ATOM 1446 CB ILE A 110 4.571 -4.854 -3.616 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.268 -3.687 -2.682 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.482 -5.852 -2.906 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.385 -4.170 -1.534 1.00 0.00 C ATOM 0 H ILE A 110 3.642 -3.381 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 110 6.291 -4.058 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 110 3.639 -5.347 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 110 5.196 -3.270 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.766 -2.889 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.986 -6.224 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.698 -6.686 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.414 -5.360 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.168 -3.336 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.452 -4.566 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.904 -4.953 -0.981 1.00 0.00 H new ATOM 1461 N SER A 111 6.139 -6.439 -5.728 1.00 0.00 N ATOM 1462 CA SER A 111 6.273 -7.525 -6.677 1.00 0.00 C ATOM 1463 C SER A 111 6.714 -8.791 -5.956 1.00 0.00 C ATOM 1464 O SER A 111 7.588 -8.744 -5.094 1.00 0.00 O ATOM 1465 CB SER A 111 7.281 -7.137 -7.755 1.00 0.00 C ATOM 1466 OG SER A 111 7.587 -8.267 -8.541 1.00 0.00 O ATOM 0 H SER A 111 6.720 -6.535 -4.895 1.00 0.00 H new ATOM 0 HA SER A 111 5.311 -7.718 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.872 -6.345 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.188 -6.744 -7.295 1.00 0.00 H new ATOM 0 HG SER A 111 8.233 -8.018 -9.235 1.00 0.00 H new ATOM 1472 N PHE A 112 6.107 -9.926 -6.312 1.00 0.00 N ATOM 1473 CA PHE A 112 6.442 -11.195 -5.699 1.00 0.00 C ATOM 1474 C PHE A 112 7.335 -12.000 -6.632 1.00 0.00 C ATOM 1475 O PHE A 112 6.977 -12.240 -7.783 1.00 0.00 O ATOM 1476 CB PHE A 112 5.160 -11.960 -5.383 1.00 0.00 C ATOM 1477 CG PHE A 112 4.490 -11.512 -4.106 1.00 0.00 C ATOM 1478 CD1 PHE A 112 4.261 -10.150 -3.876 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.095 -12.459 -3.153 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.638 -9.735 -2.693 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.472 -12.044 -1.970 1.00 0.00 C ATOM 1482 CZ PHE A 112 3.243 -10.682 -1.740 1.00 0.00 C ATOM 0 H PHE A 112 5.380 -9.982 -7.025 1.00 0.00 H new ATOM 0 HA PHE A 112 6.985 -11.022 -4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.462 -11.841 -6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.389 -13.023 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.565 -9.420 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.271 -13.510 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.462 -8.684 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.168 -12.774 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.762 -10.362 -0.828 1.00 0.00 H new ATOM 1492 N ASN A 113 8.501 -12.417 -6.133 1.00 0.00 N ATOM 1493 CA ASN A 113 9.436 -13.192 -6.924 1.00 0.00 C ATOM 1494 C ASN A 113 9.859 -12.399 -8.152 1.00 0.00 C ATOM 1495 O ASN A 113 10.626 -12.889 -8.977 1.00 0.00 O ATOM 1496 CB ASN A 113 8.784 -14.511 -7.331 1.00 0.00 C ATOM 1497 CG ASN A 113 8.415 -15.335 -6.107 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.201 -16.165 -5.655 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.215 -15.104 -5.568 1.00 0.00 N ATOM 0 H ASN A 113 8.813 -12.226 -5.181 1.00 0.00 H new ATOM 0 HA ASN A 113 10.326 -13.407 -6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.891 -14.312 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.466 -15.078 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.916 -15.627 -4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.597 -14.404 -5.979 1.00 0.00 H new TER 1506 ASN A 113