USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6.7!) USER MOD Single : A 30 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.48) USER MOD Single : A 31 MET CE :methyl -119:sc= -4.12! (180deg=-14.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.32 K(o=-2.3,f=-6.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 39 CYS SG : rot 180:sc= -3.15! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.32) USER MOD Single : A 44 GLN : amide:sc= 0.0149 X(o=0.015,f=-0.13) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -89:sc= -0.242 USER MOD Single : A 47 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.077) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.094) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -150:sc= 0.028 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc=-0.00772 USER MOD Single : A 111 ASN : amide:sc= -0.252! C(o=-0.25!,f=-6.7!) USER MOD Single : A 114 LYS NZ :NH3+ 147:sc= 0.433 (180deg=0.0379) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 153:sc= -0.0993 (180deg=-0.473) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.223 12.733 7.300 1.00 0.00 N ATOM 2 CA GLY A 1 -17.651 12.888 5.974 1.00 0.00 C ATOM 3 C GLY A 1 -17.831 14.319 5.463 1.00 0.00 C ATOM 4 O GLY A 1 -18.871 14.655 4.899 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.088 11.754 7.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.752 13.384 7.960 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.240 12.950 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.590 12.638 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.126 12.190 5.285 1.00 0.00 H new ATOM 8 N SER A 2 -16.801 15.124 5.679 1.00 0.00 N ATOM 9 CA SER A 2 -16.831 16.511 5.248 1.00 0.00 C ATOM 10 C SER A 2 -15.767 16.749 4.175 1.00 0.00 C ATOM 11 O SER A 2 -14.733 16.084 4.163 1.00 0.00 O ATOM 12 CB SER A 2 -16.616 17.460 6.429 1.00 0.00 C ATOM 13 OG SER A 2 -17.117 18.767 6.161 1.00 0.00 O ATOM 0 H SER A 2 -15.940 14.842 6.147 1.00 0.00 H new ATOM 0 HA SER A 2 -17.815 16.717 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.110 17.057 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.552 17.519 6.658 1.00 0.00 H new ATOM 0 HG SER A 2 -16.963 19.342 6.939 1.00 0.00 H new ATOM 19 N SER A 3 -16.058 17.700 3.299 1.00 0.00 N ATOM 20 CA SER A 3 -15.138 18.034 2.225 1.00 0.00 C ATOM 21 C SER A 3 -15.564 19.345 1.561 1.00 0.00 C ATOM 22 O SER A 3 -16.715 19.763 1.684 1.00 0.00 O ATOM 23 CB SER A 3 -15.072 16.911 1.188 1.00 0.00 C ATOM 24 OG SER A 3 -13.730 16.603 0.820 1.00 0.00 O ATOM 0 H SER A 3 -16.917 18.249 3.311 1.00 0.00 H new ATOM 0 HA SER A 3 -14.143 18.157 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.552 16.018 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.633 17.203 0.301 1.00 0.00 H new ATOM 0 HG SER A 3 -13.730 15.880 0.158 1.00 0.00 H new ATOM 30 N GLY A 4 -14.613 19.958 0.871 1.00 0.00 N ATOM 31 CA GLY A 4 -14.875 21.213 0.187 1.00 0.00 C ATOM 32 C GLY A 4 -14.869 21.022 -1.331 1.00 0.00 C ATOM 33 O GLY A 4 -15.310 19.989 -1.832 1.00 0.00 O ATOM 0 H GLY A 4 -13.660 19.609 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.840 21.609 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.121 21.948 0.468 1.00 0.00 H new ATOM 37 N SER A 5 -14.364 22.034 -2.021 1.00 0.00 N ATOM 38 CA SER A 5 -14.295 21.991 -3.471 1.00 0.00 C ATOM 39 C SER A 5 -12.866 21.675 -3.917 1.00 0.00 C ATOM 40 O SER A 5 -12.628 20.673 -4.589 1.00 0.00 O ATOM 41 CB SER A 5 -14.763 23.312 -4.085 1.00 0.00 C ATOM 42 OG SER A 5 -16.144 23.278 -4.435 1.00 0.00 O ATOM 0 H SER A 5 -13.999 22.889 -1.602 1.00 0.00 H new ATOM 0 HA SER A 5 -14.961 21.203 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.588 24.123 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.169 23.530 -4.973 1.00 0.00 H new ATOM 0 HG SER A 5 -16.405 24.140 -4.822 1.00 0.00 H new ATOM 48 N SER A 6 -11.951 22.550 -3.526 1.00 0.00 N ATOM 49 CA SER A 6 -10.551 22.377 -3.877 1.00 0.00 C ATOM 50 C SER A 6 -9.942 21.241 -3.053 1.00 0.00 C ATOM 51 O SER A 6 -10.461 20.888 -1.996 1.00 0.00 O ATOM 52 CB SER A 6 -9.765 23.672 -3.660 1.00 0.00 C ATOM 53 OG SER A 6 -9.330 24.245 -4.890 1.00 0.00 O ATOM 0 H SER A 6 -12.152 23.381 -2.970 1.00 0.00 H new ATOM 0 HA SER A 6 -10.492 22.121 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.388 24.389 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.900 23.470 -3.028 1.00 0.00 H new ATOM 0 HG SER A 6 -8.834 25.070 -4.709 1.00 0.00 H new ATOM 59 N GLY A 7 -8.848 20.701 -3.569 1.00 0.00 N ATOM 60 CA GLY A 7 -8.161 19.612 -2.895 1.00 0.00 C ATOM 61 C GLY A 7 -6.935 19.160 -3.690 1.00 0.00 C ATOM 62 O GLY A 7 -6.550 19.806 -4.664 1.00 0.00 O ATOM 0 H GLY A 7 -8.420 20.997 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.855 19.932 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.844 18.772 -2.764 1.00 0.00 H new ATOM 66 N PRO A 8 -6.340 18.026 -3.234 1.00 0.00 N ATOM 67 CA PRO A 8 -5.165 17.480 -3.892 1.00 0.00 C ATOM 68 C PRO A 8 -5.542 16.795 -5.207 1.00 0.00 C ATOM 69 O PRO A 8 -6.587 16.153 -5.300 1.00 0.00 O ATOM 70 CB PRO A 8 -4.554 16.525 -2.879 1.00 0.00 C ATOM 71 CG PRO A 8 -5.656 16.220 -1.877 1.00 0.00 C ATOM 72 CD PRO A 8 -6.768 17.235 -2.084 1.00 0.00 C ATOM 0 HA PRO A 8 -4.447 18.249 -4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.203 15.614 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.692 16.976 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.032 15.207 -2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.272 16.277 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.722 16.743 -2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.902 17.860 -1.201 1.00 0.00 H new ATOM 80 N HIS A 9 -4.670 16.955 -6.192 1.00 0.00 N ATOM 81 CA HIS A 9 -4.898 16.360 -7.498 1.00 0.00 C ATOM 82 C HIS A 9 -3.615 16.435 -8.327 1.00 0.00 C ATOM 83 O HIS A 9 -3.120 17.523 -8.616 1.00 0.00 O ATOM 84 CB HIS A 9 -6.092 17.017 -8.193 1.00 0.00 C ATOM 85 CG HIS A 9 -6.117 18.523 -8.079 1.00 0.00 C ATOM 86 ND1 HIS A 9 -7.061 19.202 -7.329 1.00 0.00 N ATOM 87 CD2 HIS A 9 -5.304 19.472 -8.626 1.00 0.00 C ATOM 88 CE1 HIS A 9 -6.818 20.501 -7.428 1.00 0.00 C ATOM 89 NE2 HIS A 9 -5.730 20.666 -8.233 1.00 0.00 N ATOM 0 H HIS A 9 -3.804 17.488 -6.112 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.153 15.307 -7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.081 16.743 -9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.012 16.615 -7.769 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.457 19.284 -9.270 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.383 21.290 -6.954 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.312 21.560 -8.491 1.00 0.00 H new ATOM 97 N GLY A 10 -3.112 15.263 -8.687 1.00 0.00 N ATOM 98 CA GLY A 10 -1.895 15.181 -9.477 1.00 0.00 C ATOM 99 C GLY A 10 -1.394 13.738 -9.565 1.00 0.00 C ATOM 100 O GLY A 10 -2.162 12.828 -9.872 1.00 0.00 O ATOM 0 H GLY A 10 -3.525 14.362 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.081 15.567 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.125 15.810 -9.031 1.00 0.00 H new ATOM 104 N THR A 11 -0.108 13.575 -9.290 1.00 0.00 N ATOM 105 CA THR A 11 0.505 12.258 -9.334 1.00 0.00 C ATOM 106 C THR A 11 0.901 11.807 -7.926 1.00 0.00 C ATOM 107 O THR A 11 1.436 12.594 -7.146 1.00 0.00 O ATOM 108 CB THR A 11 1.683 12.317 -10.308 1.00 0.00 C ATOM 109 OG1 THR A 11 1.104 12.775 -11.526 1.00 0.00 O ATOM 110 CG2 THR A 11 2.229 10.930 -10.652 1.00 0.00 C ATOM 0 H THR A 11 0.526 14.333 -9.036 1.00 0.00 H new ATOM 0 HA THR A 11 -0.197 11.507 -9.696 1.00 0.00 H new ATOM 0 HB THR A 11 2.480 12.923 -9.877 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.799 12.844 -12.213 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.063 11.029 -11.346 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.571 10.438 -9.742 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.442 10.333 -11.113 1.00 0.00 H new ATOM 118 N LEU A 12 0.624 10.543 -7.645 1.00 0.00 N ATOM 119 CA LEU A 12 0.945 9.978 -6.345 1.00 0.00 C ATOM 120 C LEU A 12 1.956 8.843 -6.523 1.00 0.00 C ATOM 121 O LEU A 12 1.832 8.034 -7.441 1.00 0.00 O ATOM 122 CB LEU A 12 -0.331 9.555 -5.614 1.00 0.00 C ATOM 123 CG LEU A 12 -0.135 8.678 -4.376 1.00 0.00 C ATOM 124 CD1 LEU A 12 -0.187 9.515 -3.097 1.00 0.00 C ATOM 125 CD2 LEU A 12 -1.148 7.531 -4.352 1.00 0.00 C ATOM 0 H LEU A 12 0.181 9.894 -8.295 1.00 0.00 H new ATOM 0 HA LEU A 12 1.415 10.728 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.870 10.454 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.968 9.019 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 12 0.858 8.231 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.045 8.867 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.603 10.266 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.156 10.009 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.987 6.922 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.159 7.939 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.020 6.914 -5.241 1.00 0.00 H new ATOM 137 N GLU A 13 2.935 8.820 -5.630 1.00 0.00 N ATOM 138 CA GLU A 13 3.966 7.798 -5.676 1.00 0.00 C ATOM 139 C GLU A 13 3.784 6.806 -4.525 1.00 0.00 C ATOM 140 O GLU A 13 3.507 7.205 -3.395 1.00 0.00 O ATOM 141 CB GLU A 13 5.361 8.425 -5.643 1.00 0.00 C ATOM 142 CG GLU A 13 6.318 7.683 -6.579 1.00 0.00 C ATOM 143 CD GLU A 13 7.771 7.870 -6.137 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.001 7.826 -4.909 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.619 8.052 -7.037 1.00 0.00 O ATOM 0 H GLU A 13 3.036 9.493 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 13 3.869 7.255 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.300 9.473 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.750 8.401 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.071 6.621 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.194 8.050 -7.598 1.00 0.00 H new ATOM 152 N VAL A 14 3.945 5.532 -4.853 1.00 0.00 N ATOM 153 CA VAL A 14 3.802 4.481 -3.860 1.00 0.00 C ATOM 154 C VAL A 14 5.001 3.535 -3.949 1.00 0.00 C ATOM 155 O VAL A 14 5.123 2.768 -4.903 1.00 0.00 O ATOM 156 CB VAL A 14 2.462 3.766 -4.046 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.263 2.689 -2.977 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.303 4.764 -4.040 1.00 0.00 C ATOM 0 H VAL A 14 4.173 5.204 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 14 3.795 4.903 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 14 2.476 3.275 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.303 2.196 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.064 1.954 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.279 3.149 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.362 4.230 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.286 5.296 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.434 5.478 -4.853 1.00 0.00 H new ATOM 168 N VAL A 15 5.857 3.620 -2.941 1.00 0.00 N ATOM 169 CA VAL A 15 7.042 2.781 -2.893 1.00 0.00 C ATOM 170 C VAL A 15 6.814 1.640 -1.899 1.00 0.00 C ATOM 171 O VAL A 15 6.950 1.828 -0.691 1.00 0.00 O ATOM 172 CB VAL A 15 8.271 3.629 -2.558 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.558 2.819 -2.722 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.309 4.899 -3.411 1.00 0.00 C ATOM 0 H VAL A 15 5.753 4.257 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 15 7.230 2.331 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 15 8.196 3.929 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.416 3.446 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.534 1.959 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.642 2.474 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.192 5.484 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.348 4.628 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.414 5.491 -3.222 1.00 0.00 H new ATOM 184 N LEU A 16 6.472 0.482 -2.444 1.00 0.00 N ATOM 185 CA LEU A 16 6.225 -0.689 -1.620 1.00 0.00 C ATOM 186 C LEU A 16 7.561 -1.308 -1.206 1.00 0.00 C ATOM 187 O LEU A 16 8.045 -2.238 -1.849 1.00 0.00 O ATOM 188 CB LEU A 16 5.293 -1.665 -2.342 1.00 0.00 C ATOM 189 CG LEU A 16 5.127 -3.039 -1.691 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.256 -2.950 -0.436 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.584 -4.059 -2.695 1.00 0.00 C ATOM 0 H LEU A 16 6.360 0.330 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 16 5.707 -0.407 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.309 -1.203 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.665 -1.808 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 16 6.110 -3.389 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.154 -3.941 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.722 -2.277 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.270 -2.569 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.475 -5.028 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.613 -3.727 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.277 -4.150 -3.532 1.00 0.00 H new ATOM 203 N VAL A 17 8.120 -0.766 -0.133 1.00 0.00 N ATOM 204 CA VAL A 17 9.392 -1.253 0.375 1.00 0.00 C ATOM 205 C VAL A 17 9.251 -2.728 0.758 1.00 0.00 C ATOM 206 O VAL A 17 9.498 -3.612 -0.061 1.00 0.00 O ATOM 207 CB VAL A 17 9.862 -0.376 1.536 1.00 0.00 C ATOM 208 CG1 VAL A 17 11.102 -0.971 2.206 1.00 0.00 C ATOM 209 CG2 VAL A 17 10.125 1.057 1.070 1.00 0.00 C ATOM 0 H VAL A 17 7.716 0.005 0.398 1.00 0.00 H new ATOM 0 HA VAL A 17 10.161 -1.189 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 17 9.063 -0.346 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.415 -0.328 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.867 -1.963 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.909 -1.047 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.458 1.659 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.897 1.053 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.208 1.481 0.662 1.00 0.00 H new ATOM 219 N SER A 18 8.856 -2.948 2.003 1.00 0.00 N ATOM 220 CA SER A 18 8.680 -4.300 2.504 1.00 0.00 C ATOM 221 C SER A 18 7.526 -4.340 3.508 1.00 0.00 C ATOM 222 O SER A 18 6.874 -3.325 3.751 1.00 0.00 O ATOM 223 CB SER A 18 9.965 -4.818 3.153 1.00 0.00 C ATOM 224 OG SER A 18 10.109 -4.361 4.494 1.00 0.00 O ATOM 0 H SER A 18 8.653 -2.212 2.680 1.00 0.00 H new ATOM 0 HA SER A 18 8.443 -4.949 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.963 -5.908 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.824 -4.493 2.566 1.00 0.00 H new ATOM 0 HG SER A 18 10.941 -4.715 4.873 1.00 0.00 H new ATOM 230 N ALA A 19 7.308 -5.523 4.064 1.00 0.00 N ATOM 231 CA ALA A 19 6.244 -5.708 5.036 1.00 0.00 C ATOM 232 C ALA A 19 6.552 -6.936 5.895 1.00 0.00 C ATOM 233 O ALA A 19 6.640 -8.050 5.383 1.00 0.00 O ATOM 234 CB ALA A 19 4.903 -5.827 4.309 1.00 0.00 C ATOM 0 H ALA A 19 7.850 -6.363 3.860 1.00 0.00 H new ATOM 0 HA ALA A 19 6.179 -4.847 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.105 -5.966 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.718 -4.918 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.930 -6.682 3.633 1.00 0.00 H new ATOM 240 N LYS A 20 6.707 -6.690 7.188 1.00 0.00 N ATOM 241 CA LYS A 20 7.003 -7.761 8.123 1.00 0.00 C ATOM 242 C LYS A 20 5.782 -8.011 9.010 1.00 0.00 C ATOM 243 O LYS A 20 5.020 -7.089 9.298 1.00 0.00 O ATOM 244 CB LYS A 20 8.279 -7.450 8.908 1.00 0.00 C ATOM 245 CG LYS A 20 8.074 -6.250 9.835 1.00 0.00 C ATOM 246 CD LYS A 20 8.700 -4.986 9.243 1.00 0.00 C ATOM 247 CE LYS A 20 10.112 -4.765 9.791 1.00 0.00 C ATOM 248 NZ LYS A 20 11.124 -5.122 8.773 1.00 0.00 N ATOM 0 H LYS A 20 6.633 -5.764 7.610 1.00 0.00 H new ATOM 0 HA LYS A 20 7.204 -8.689 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.571 -8.321 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.095 -7.244 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.008 -6.090 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.518 -6.458 10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.736 -5.068 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.076 -4.123 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.235 -3.723 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.260 -5.369 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.076 -4.966 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.016 -6.123 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.992 -4.528 7.929 1.00 0.00 H new ATOM 262 N GLY A 21 5.633 -9.262 9.419 1.00 0.00 N ATOM 263 CA GLY A 21 4.516 -9.645 10.267 1.00 0.00 C ATOM 264 C GLY A 21 4.891 -9.541 11.747 1.00 0.00 C ATOM 265 O GLY A 21 5.679 -8.678 12.132 1.00 0.00 O ATOM 0 H GLY A 21 6.267 -10.024 9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.660 -9.003 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.212 -10.666 10.036 1.00 0.00 H new ATOM 269 N LEU A 22 4.309 -10.432 12.536 1.00 0.00 N ATOM 270 CA LEU A 22 4.572 -10.451 13.965 1.00 0.00 C ATOM 271 C LEU A 22 5.125 -11.822 14.359 1.00 0.00 C ATOM 272 O LEU A 22 5.431 -12.643 13.496 1.00 0.00 O ATOM 273 CB LEU A 22 3.321 -10.045 14.745 1.00 0.00 C ATOM 274 CG LEU A 22 2.750 -8.662 14.425 1.00 0.00 C ATOM 275 CD1 LEU A 22 1.386 -8.464 15.089 1.00 0.00 C ATOM 276 CD2 LEU A 22 3.739 -7.558 14.808 1.00 0.00 C ATOM 0 H LEU A 22 3.656 -11.146 12.213 1.00 0.00 H new ATOM 0 HA LEU A 22 5.333 -9.714 14.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.545 -10.788 14.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.552 -10.083 15.809 1.00 0.00 H new ATOM 0 HG LEU A 22 2.596 -8.598 13.348 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.003 -7.473 14.845 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.691 -9.221 14.726 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.491 -8.557 16.170 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.308 -6.585 14.570 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.948 -7.611 15.877 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.666 -7.691 14.250 1.00 0.00 H new ATOM 288 N GLU A 23 5.235 -12.027 15.663 1.00 0.00 N ATOM 289 CA GLU A 23 5.746 -13.285 16.182 1.00 0.00 C ATOM 290 C GLU A 23 4.602 -14.129 16.747 1.00 0.00 C ATOM 291 O GLU A 23 4.751 -15.336 16.937 1.00 0.00 O ATOM 292 CB GLU A 23 6.824 -13.044 17.240 1.00 0.00 C ATOM 293 CG GLU A 23 6.217 -12.464 18.519 1.00 0.00 C ATOM 294 CD GLU A 23 7.307 -11.917 19.444 1.00 0.00 C ATOM 295 OE1 GLU A 23 8.372 -12.567 19.513 1.00 0.00 O ATOM 296 OE2 GLU A 23 7.050 -10.860 20.060 1.00 0.00 O ATOM 0 H GLU A 23 4.979 -11.344 16.376 1.00 0.00 H new ATOM 0 HA GLU A 23 6.206 -13.835 15.361 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.332 -13.981 17.467 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.577 -12.360 16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.517 -11.668 18.265 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.648 -13.235 19.038 1.00 0.00 H new ATOM 303 N ASP A 24 3.485 -13.462 17.000 1.00 0.00 N ATOM 304 CA ASP A 24 2.317 -14.136 17.540 1.00 0.00 C ATOM 305 C ASP A 24 1.146 -13.974 16.568 1.00 0.00 C ATOM 306 O ASP A 24 0.045 -13.603 16.973 1.00 0.00 O ATOM 307 CB ASP A 24 1.903 -13.531 18.883 1.00 0.00 C ATOM 308 CG ASP A 24 2.620 -14.114 20.103 1.00 0.00 C ATOM 309 OD1 ASP A 24 2.518 -15.346 20.285 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.253 -13.314 20.825 1.00 0.00 O ATOM 0 H ASP A 24 3.365 -12.462 16.841 1.00 0.00 H new ATOM 0 HA ASP A 24 2.569 -15.187 17.681 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.085 -12.457 18.852 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.829 -13.669 19.011 1.00 0.00 H new ATOM 315 N ALA A 25 1.423 -14.260 15.305 1.00 0.00 N ATOM 316 CA ALA A 25 0.407 -14.151 14.272 1.00 0.00 C ATOM 317 C ALA A 25 0.940 -14.755 12.972 1.00 0.00 C ATOM 318 O ALA A 25 1.848 -14.203 12.353 1.00 0.00 O ATOM 319 CB ALA A 25 0.000 -12.685 14.109 1.00 0.00 C ATOM 0 H ALA A 25 2.337 -14.567 14.973 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.486 -14.709 14.553 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.762 -12.603 13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.399 -12.311 15.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.871 -12.095 13.825 1.00 0.00 H new ATOM 325 N ASP A 26 0.352 -15.882 12.596 1.00 0.00 N ATOM 326 CA ASP A 26 0.757 -16.568 11.381 1.00 0.00 C ATOM 327 C ASP A 26 0.434 -15.687 10.172 1.00 0.00 C ATOM 328 O ASP A 26 -0.647 -15.791 9.595 1.00 0.00 O ATOM 329 CB ASP A 26 0.003 -17.889 11.217 1.00 0.00 C ATOM 330 CG ASP A 26 -0.079 -18.413 9.782 1.00 0.00 C ATOM 331 OD1 ASP A 26 0.990 -18.475 9.138 1.00 0.00 O ATOM 332 OD2 ASP A 26 -1.210 -18.740 9.362 1.00 0.00 O ATOM 0 H ASP A 26 -0.402 -16.337 13.112 1.00 0.00 H new ATOM 0 HA ASP A 26 1.826 -16.769 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.486 -18.645 11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.010 -17.762 11.600 1.00 0.00 H new ATOM 337 N PHE A 27 1.392 -14.840 9.825 1.00 0.00 N ATOM 338 CA PHE A 27 1.224 -13.942 8.695 1.00 0.00 C ATOM 339 C PHE A 27 2.532 -13.789 7.917 1.00 0.00 C ATOM 340 O PHE A 27 3.494 -13.211 8.419 1.00 0.00 O ATOM 341 CB PHE A 27 0.820 -12.580 9.263 1.00 0.00 C ATOM 342 CG PHE A 27 0.765 -11.462 8.220 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.204 -11.695 7.003 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.276 -10.236 8.509 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.153 -10.658 6.034 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.225 -9.199 7.541 1.00 0.00 C ATOM 347 CZ PHE A 27 0.664 -9.432 6.324 1.00 0.00 C ATOM 0 H PHE A 27 2.287 -14.757 10.307 1.00 0.00 H new ATOM 0 HA PHE A 27 0.472 -14.338 8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.158 -12.671 9.735 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.527 -12.300 10.044 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.203 -12.669 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.721 -10.051 9.475 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.291 -10.843 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.632 -8.225 7.771 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.624 -8.643 5.588 1.00 0.00 H new ATOM 357 N LEU A 28 2.526 -14.318 6.702 1.00 0.00 N ATOM 358 CA LEU A 28 3.700 -14.248 5.849 1.00 0.00 C ATOM 359 C LEU A 28 4.737 -15.263 6.332 1.00 0.00 C ATOM 360 O LEU A 28 5.764 -14.887 6.894 1.00 0.00 O ATOM 361 CB LEU A 28 4.228 -12.814 5.781 1.00 0.00 C ATOM 362 CG LEU A 28 3.187 -11.728 5.496 1.00 0.00 C ATOM 363 CD1 LEU A 28 3.616 -10.388 6.096 1.00 0.00 C ATOM 364 CD2 LEU A 28 2.903 -11.621 3.997 1.00 0.00 C ATOM 0 H LEU A 28 1.726 -14.797 6.288 1.00 0.00 H new ATOM 0 HA LEU A 28 3.443 -14.517 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.716 -12.582 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.995 -12.766 5.008 1.00 0.00 H new ATOM 0 HG LEU A 28 2.253 -12.013 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.860 -9.634 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.727 -10.491 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.568 -10.083 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.160 -10.843 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.823 -11.370 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.523 -12.574 3.630 1.00 0.00 H new ATOM 376 N ASN A 29 4.433 -16.531 6.094 1.00 0.00 N ATOM 377 CA ASN A 29 5.327 -17.603 6.498 1.00 0.00 C ATOM 378 C ASN A 29 5.388 -18.655 5.389 1.00 0.00 C ATOM 379 O ASN A 29 4.368 -19.238 5.024 1.00 0.00 O ATOM 380 CB ASN A 29 4.826 -18.287 7.772 1.00 0.00 C ATOM 381 CG ASN A 29 5.741 -19.448 8.167 1.00 0.00 C ATOM 382 OD1 ASN A 29 6.094 -20.296 7.363 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.104 -19.439 9.446 1.00 0.00 N ATOM 0 H ASN A 29 3.580 -16.840 5.627 1.00 0.00 H new ATOM 0 HA ASN A 29 6.310 -17.171 6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.781 -17.562 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.812 -18.655 7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.714 -20.172 9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.772 -18.699 10.065 1.00 0.00 H new ATOM 390 N ASN A 30 6.594 -18.866 4.884 1.00 0.00 N ATOM 391 CA ASN A 30 6.802 -19.838 3.823 1.00 0.00 C ATOM 392 C ASN A 30 5.731 -19.649 2.748 1.00 0.00 C ATOM 393 O ASN A 30 4.871 -20.509 2.565 1.00 0.00 O ATOM 394 CB ASN A 30 6.690 -21.267 4.357 1.00 0.00 C ATOM 395 CG ASN A 30 7.513 -22.236 3.506 1.00 0.00 C ATOM 396 OD1 ASN A 30 8.648 -21.974 3.143 1.00 0.00 O ATOM 397 ND2 ASN A 30 6.880 -23.367 3.208 1.00 0.00 N ATOM 0 H ASN A 30 7.438 -18.381 5.189 1.00 0.00 H new ATOM 0 HA ASN A 30 7.800 -19.683 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.036 -21.301 5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.645 -21.577 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.345 -24.078 2.644 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.930 -23.523 3.544 1.00 0.00 H new ATOM 404 N MET A 31 5.817 -18.518 2.064 1.00 0.00 N ATOM 405 CA MET A 31 4.866 -18.205 1.011 1.00 0.00 C ATOM 406 C MET A 31 5.387 -17.076 0.119 1.00 0.00 C ATOM 407 O MET A 31 6.443 -16.505 0.387 1.00 0.00 O ATOM 408 CB MET A 31 3.532 -17.790 1.634 1.00 0.00 C ATOM 409 CG MET A 31 3.752 -16.853 2.825 1.00 0.00 C ATOM 410 SD MET A 31 2.188 -16.469 3.595 1.00 0.00 S ATOM 411 CE MET A 31 1.430 -15.509 2.295 1.00 0.00 C ATOM 0 H MET A 31 6.531 -17.806 2.219 1.00 0.00 H new ATOM 0 HA MET A 31 4.728 -19.094 0.396 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.915 -17.293 0.885 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.987 -18.676 1.959 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.418 -17.322 3.549 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.238 -15.936 2.492 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.224 -14.502 2.659 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.105 -15.455 1.441 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.497 -15.982 1.990 1.00 0.00 H new ATOM 421 N ASP A 32 4.621 -16.787 -0.923 1.00 0.00 N ATOM 422 CA ASP A 32 4.992 -15.737 -1.856 1.00 0.00 C ATOM 423 C ASP A 32 3.802 -14.797 -2.059 1.00 0.00 C ATOM 424 O ASP A 32 3.205 -14.768 -3.134 1.00 0.00 O ATOM 425 CB ASP A 32 5.372 -16.319 -3.219 1.00 0.00 C ATOM 426 CG ASP A 32 6.557 -17.287 -3.201 1.00 0.00 C ATOM 427 OD1 ASP A 32 7.274 -17.287 -2.178 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.718 -18.005 -4.211 1.00 0.00 O ATOM 0 H ASP A 32 3.745 -17.262 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 32 5.847 -15.204 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.506 -16.837 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.604 -15.497 -3.896 1.00 0.00 H new ATOM 433 N PRO A 33 3.483 -14.032 -0.980 1.00 0.00 N ATOM 434 CA PRO A 33 2.375 -13.094 -1.029 1.00 0.00 C ATOM 435 C PRO A 33 2.743 -11.853 -1.845 1.00 0.00 C ATOM 436 O PRO A 33 3.920 -11.527 -1.989 1.00 0.00 O ATOM 437 CB PRO A 33 2.062 -12.778 0.424 1.00 0.00 C ATOM 438 CG PRO A 33 3.296 -13.183 1.214 1.00 0.00 C ATOM 439 CD PRO A 33 4.167 -14.040 0.309 1.00 0.00 C ATOM 0 HA PRO A 33 1.499 -13.504 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.845 -11.718 0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.184 -13.327 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.843 -12.301 1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.012 -13.738 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.174 -13.631 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.266 -15.053 0.698 1.00 0.00 H new ATOM 447 N TYR A 34 1.713 -11.194 -2.358 1.00 0.00 N ATOM 448 CA TYR A 34 1.913 -9.996 -3.155 1.00 0.00 C ATOM 449 C TYR A 34 0.985 -8.870 -2.695 1.00 0.00 C ATOM 450 O TYR A 34 -0.121 -9.127 -2.222 1.00 0.00 O ATOM 451 CB TYR A 34 1.556 -10.382 -4.592 1.00 0.00 C ATOM 452 CG TYR A 34 0.058 -10.585 -4.827 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.767 -9.493 -5.006 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.469 -11.860 -4.860 1.00 0.00 C ATOM 455 CE1 TYR A 34 -2.177 -9.684 -5.227 1.00 0.00 C ATOM 456 CE2 TYR A 34 -1.879 -12.051 -5.081 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.664 -10.954 -5.254 1.00 0.00 C ATOM 458 OH TYR A 34 -3.995 -11.134 -5.463 1.00 0.00 O ATOM 0 H TYR A 34 0.738 -11.468 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 34 2.938 -9.638 -3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.917 -9.606 -5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.082 -11.301 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.355 -8.495 -4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.176 -12.715 -4.720 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.833 -8.838 -5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.304 -13.044 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.200 -12.092 -5.458 1.00 0.00 H new ATOM 468 N VAL A 35 1.470 -7.647 -2.851 1.00 0.00 N ATOM 469 CA VAL A 35 0.697 -6.481 -2.458 1.00 0.00 C ATOM 470 C VAL A 35 -0.142 -6.006 -3.646 1.00 0.00 C ATOM 471 O VAL A 35 0.327 -6.012 -4.783 1.00 0.00 O ATOM 472 CB VAL A 35 1.628 -5.396 -1.911 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.866 -4.092 -1.666 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.332 -5.869 -0.638 1.00 0.00 C ATOM 0 H VAL A 35 2.388 -7.438 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 35 0.007 -6.734 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 35 2.393 -5.200 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.551 -3.338 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.434 -3.741 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.070 -4.266 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.987 -5.080 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.588 -6.107 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.923 -6.758 -0.858 1.00 0.00 H new ATOM 484 N GLN A 36 -1.367 -5.605 -3.341 1.00 0.00 N ATOM 485 CA GLN A 36 -2.276 -5.128 -4.370 1.00 0.00 C ATOM 486 C GLN A 36 -2.656 -3.669 -4.107 1.00 0.00 C ATOM 487 O GLN A 36 -3.584 -3.393 -3.348 1.00 0.00 O ATOM 488 CB GLN A 36 -3.521 -6.012 -4.455 1.00 0.00 C ATOM 489 CG GLN A 36 -4.537 -5.435 -5.443 1.00 0.00 C ATOM 490 CD GLN A 36 -5.960 -5.860 -5.077 1.00 0.00 C ATOM 491 OE1 GLN A 36 -6.183 -6.722 -4.243 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.908 -5.209 -5.745 1.00 0.00 N ATOM 0 H GLN A 36 -1.752 -5.600 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.766 -5.183 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.237 -7.017 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.977 -6.100 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.468 -4.347 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.301 -5.773 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.652 -4.498 -6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.891 -5.421 -5.572 1.00 0.00 H new ATOM 501 N LEU A 37 -1.920 -2.774 -4.749 1.00 0.00 N ATOM 502 CA LEU A 37 -2.168 -1.351 -4.594 1.00 0.00 C ATOM 503 C LEU A 37 -3.505 -0.996 -5.250 1.00 0.00 C ATOM 504 O LEU A 37 -3.848 -1.538 -6.300 1.00 0.00 O ATOM 505 CB LEU A 37 -0.987 -0.539 -5.128 1.00 0.00 C ATOM 506 CG LEU A 37 0.339 -0.716 -4.385 1.00 0.00 C ATOM 507 CD1 LEU A 37 1.510 -0.193 -5.220 1.00 0.00 C ATOM 508 CD2 LEU A 37 0.284 -0.062 -3.003 1.00 0.00 C ATOM 0 H LEU A 37 -1.151 -3.007 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.251 -1.092 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.833 -0.804 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.257 0.517 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 37 0.504 -1.782 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.440 -0.331 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.561 -0.742 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.365 0.867 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.239 -0.202 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.084 1.004 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.510 -0.521 -2.415 1.00 0.00 H new ATOM 520 N THR A 38 -4.222 -0.090 -4.603 1.00 0.00 N ATOM 521 CA THR A 38 -5.513 0.343 -5.111 1.00 0.00 C ATOM 522 C THR A 38 -5.708 1.841 -4.864 1.00 0.00 C ATOM 523 O THR A 38 -5.532 2.317 -3.743 1.00 0.00 O ATOM 524 CB THR A 38 -6.592 -0.525 -4.461 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.004 -1.822 -4.401 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.815 -0.712 -5.362 1.00 0.00 C ATOM 0 H THR A 38 -3.934 0.356 -3.732 1.00 0.00 H new ATOM 0 HA THR A 38 -5.577 0.212 -6.191 1.00 0.00 H new ATOM 0 HB THR A 38 -6.901 -0.074 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.636 -2.449 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.550 -1.336 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.255 0.260 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.512 -1.194 -6.292 1.00 0.00 H new ATOM 534 N CYS A 39 -6.070 2.541 -5.928 1.00 0.00 N ATOM 535 CA CYS A 39 -6.291 3.975 -5.841 1.00 0.00 C ATOM 536 C CYS A 39 -7.575 4.310 -6.603 1.00 0.00 C ATOM 537 O CYS A 39 -7.545 4.518 -7.815 1.00 0.00 O ATOM 538 CB CYS A 39 -5.092 4.765 -6.368 1.00 0.00 C ATOM 539 SG CYS A 39 -4.653 6.096 -5.191 1.00 0.00 S ATOM 0 H CYS A 39 -6.216 2.142 -6.855 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.403 4.266 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.241 4.099 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.328 5.193 -7.342 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.632 6.759 -5.647 1.00 0.00 H new ATOM 545 N ARG A 40 -8.671 4.352 -5.860 1.00 0.00 N ATOM 546 CA ARG A 40 -9.963 4.659 -6.451 1.00 0.00 C ATOM 547 C ARG A 40 -10.389 3.542 -7.406 1.00 0.00 C ATOM 548 O ARG A 40 -11.123 2.635 -7.018 1.00 0.00 O ATOM 549 CB ARG A 40 -9.919 5.984 -7.214 1.00 0.00 C ATOM 550 CG ARG A 40 -10.517 7.118 -6.378 1.00 0.00 C ATOM 551 CD ARG A 40 -9.902 7.150 -4.978 1.00 0.00 C ATOM 552 NE ARG A 40 -10.970 7.123 -3.954 1.00 0.00 N ATOM 553 CZ ARG A 40 -10.752 6.948 -2.644 1.00 0.00 C ATOM 554 NH1 ARG A 40 -9.502 6.784 -2.190 1.00 0.00 N ATOM 555 NH2 ARG A 40 -11.783 6.938 -1.788 1.00 0.00 N ATOM 0 H ARG A 40 -8.691 4.179 -4.855 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.686 4.744 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.888 6.224 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.470 5.888 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.345 8.072 -6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.597 6.988 -6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.237 6.296 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.296 8.048 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.933 7.245 -4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.717 6.793 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.335 6.651 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.734 7.064 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.616 6.805 -0.791 1.00 0.00 H new ATOM 569 N THR A 41 -9.909 3.645 -8.637 1.00 0.00 N ATOM 570 CA THR A 41 -10.231 2.655 -9.650 1.00 0.00 C ATOM 571 C THR A 41 -8.951 2.083 -10.262 1.00 0.00 C ATOM 572 O THR A 41 -9.008 1.255 -11.170 1.00 0.00 O ATOM 573 CB THR A 41 -11.154 3.313 -10.678 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.470 4.509 -11.043 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.463 3.806 -10.059 1.00 0.00 C ATOM 0 H THR A 41 -9.300 4.399 -8.955 1.00 0.00 H new ATOM 0 HA THR A 41 -10.757 1.803 -9.218 1.00 0.00 H new ATOM 0 HB THR A 41 -11.375 2.603 -11.475 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.998 4.998 -11.709 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.081 4.264 -10.831 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.997 2.964 -9.619 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.245 4.542 -9.285 1.00 0.00 H new ATOM 583 N GLN A 42 -7.825 2.546 -9.740 1.00 0.00 N ATOM 584 CA GLN A 42 -6.532 2.091 -10.223 1.00 0.00 C ATOM 585 C GLN A 42 -5.975 1.002 -9.303 1.00 0.00 C ATOM 586 O GLN A 42 -5.795 1.228 -8.107 1.00 0.00 O ATOM 587 CB GLN A 42 -5.551 3.258 -10.348 1.00 0.00 C ATOM 588 CG GLN A 42 -5.937 4.176 -11.509 1.00 0.00 C ATOM 589 CD GLN A 42 -5.167 5.497 -11.443 1.00 0.00 C ATOM 590 OE1 GLN A 42 -5.356 6.312 -10.555 1.00 0.00 O ATOM 591 NE2 GLN A 42 -4.290 5.662 -12.430 1.00 0.00 N ATOM 0 H GLN A 42 -7.781 3.232 -8.987 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.667 1.665 -11.217 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.537 3.827 -9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.542 2.875 -10.502 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.730 3.677 -12.456 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.009 4.374 -11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.181 4.940 -13.142 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.726 6.511 -12.475 1.00 0.00 H new ATOM 600 N ASP A 43 -5.719 -0.154 -9.896 1.00 0.00 N ATOM 601 CA ASP A 43 -5.186 -1.278 -9.145 1.00 0.00 C ATOM 602 C ASP A 43 -3.842 -1.697 -9.746 1.00 0.00 C ATOM 603 O ASP A 43 -3.705 -1.788 -10.965 1.00 0.00 O ATOM 604 CB ASP A 43 -6.129 -2.481 -9.210 1.00 0.00 C ATOM 605 CG ASP A 43 -7.196 -2.408 -10.304 1.00 0.00 C ATOM 606 OD1 ASP A 43 -8.275 -1.852 -10.008 1.00 0.00 O ATOM 607 OD2 ASP A 43 -6.908 -2.909 -11.412 1.00 0.00 O ATOM 0 H ASP A 43 -5.871 -0.337 -10.888 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.071 -0.966 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.534 -3.382 -9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.626 -2.587 -8.246 1.00 0.00 H new ATOM 612 N GLN A 44 -2.885 -1.940 -8.862 1.00 0.00 N ATOM 613 CA GLN A 44 -1.558 -2.347 -9.291 1.00 0.00 C ATOM 614 C GLN A 44 -0.904 -3.231 -8.226 1.00 0.00 C ATOM 615 O GLN A 44 -0.802 -2.838 -7.065 1.00 0.00 O ATOM 616 CB GLN A 44 -0.685 -1.130 -9.603 1.00 0.00 C ATOM 617 CG GLN A 44 -1.306 -0.281 -10.715 1.00 0.00 C ATOM 618 CD GLN A 44 -0.395 0.891 -11.084 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.801 0.745 -11.275 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.026 2.059 -11.172 1.00 0.00 N ATOM 0 H GLN A 44 -3.002 -1.863 -7.852 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.656 -2.928 -10.208 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.563 -0.526 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.310 -1.459 -9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.482 -0.900 -11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.276 0.096 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.030 2.111 -10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.506 2.903 -11.412 1.00 0.00 H new ATOM 629 N LYS A 45 -0.479 -4.409 -8.660 1.00 0.00 N ATOM 630 CA LYS A 45 0.161 -5.351 -7.759 1.00 0.00 C ATOM 631 C LYS A 45 1.670 -5.351 -8.016 1.00 0.00 C ATOM 632 O LYS A 45 2.131 -4.820 -9.025 1.00 0.00 O ATOM 633 CB LYS A 45 -0.484 -6.733 -7.882 1.00 0.00 C ATOM 634 CG LYS A 45 -1.847 -6.766 -7.189 1.00 0.00 C ATOM 635 CD LYS A 45 -2.823 -7.674 -7.940 1.00 0.00 C ATOM 636 CE LYS A 45 -3.893 -6.852 -8.661 1.00 0.00 C ATOM 637 NZ LYS A 45 -4.106 -7.366 -10.032 1.00 0.00 N ATOM 0 H LYS A 45 -0.566 -4.732 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 45 0.014 -5.047 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.601 -6.991 -8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.171 -7.484 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.730 -7.121 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.254 -5.757 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.278 -8.281 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.298 -8.361 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.828 -6.892 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.590 -5.806 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.835 -6.797 -10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.216 -7.306 -10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.416 -8.358 -9.987 1.00 0.00 H new ATOM 651 N SER A 46 2.396 -5.953 -7.086 1.00 0.00 N ATOM 652 CA SER A 46 3.843 -6.030 -7.199 1.00 0.00 C ATOM 653 C SER A 46 4.272 -7.475 -7.461 1.00 0.00 C ATOM 654 O SER A 46 3.481 -8.401 -7.291 1.00 0.00 O ATOM 655 CB SER A 46 4.523 -5.495 -5.937 1.00 0.00 C ATOM 656 OG SER A 46 5.867 -5.092 -6.185 1.00 0.00 O ATOM 0 H SER A 46 2.010 -6.392 -6.250 1.00 0.00 H new ATOM 0 HA SER A 46 4.154 -5.408 -8.038 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.956 -4.648 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.512 -6.265 -5.165 1.00 0.00 H new ATOM 0 HG SER A 46 6.467 -5.855 -6.053 1.00 0.00 H new ATOM 662 N ASN A 47 5.523 -7.622 -7.871 1.00 0.00 N ATOM 663 CA ASN A 47 6.066 -8.938 -8.159 1.00 0.00 C ATOM 664 C ASN A 47 5.730 -9.887 -7.007 1.00 0.00 C ATOM 665 O ASN A 47 5.445 -9.443 -5.895 1.00 0.00 O ATOM 666 CB ASN A 47 7.589 -8.887 -8.299 1.00 0.00 C ATOM 667 CG ASN A 47 8.248 -8.486 -6.978 1.00 0.00 C ATOM 668 OD1 ASN A 47 8.442 -7.319 -6.681 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.581 -9.516 -6.205 1.00 0.00 N ATOM 0 H ASN A 47 6.176 -6.851 -8.011 1.00 0.00 H new ATOM 0 HA ASN A 47 5.629 -9.285 -9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.962 -9.862 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.863 -8.174 -9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.027 -9.353 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.390 -10.469 -6.515 1.00 0.00 H new ATOM 676 N VAL A 48 5.774 -11.176 -7.311 1.00 0.00 N ATOM 677 CA VAL A 48 5.477 -12.191 -6.315 1.00 0.00 C ATOM 678 C VAL A 48 6.715 -12.424 -5.446 1.00 0.00 C ATOM 679 O VAL A 48 7.766 -12.816 -5.949 1.00 0.00 O ATOM 680 CB VAL A 48 4.978 -13.465 -6.999 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.147 -14.680 -6.084 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.524 -13.314 -7.447 1.00 0.00 C ATOM 0 H VAL A 48 6.011 -11.541 -8.234 1.00 0.00 H new ATOM 0 HA VAL A 48 4.676 -11.857 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 48 5.586 -13.628 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.785 -15.573 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.201 -14.806 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.576 -14.528 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.195 -14.234 -7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.895 -13.114 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.444 -12.486 -8.151 1.00 0.00 H new ATOM 692 N ALA A 49 6.549 -12.171 -4.156 1.00 0.00 N ATOM 693 CA ALA A 49 7.639 -12.349 -3.212 1.00 0.00 C ATOM 694 C ALA A 49 8.061 -13.819 -3.197 1.00 0.00 C ATOM 695 O ALA A 49 7.693 -14.565 -2.290 1.00 0.00 O ATOM 696 CB ALA A 49 7.206 -11.852 -1.832 1.00 0.00 C ATOM 0 H ALA A 49 5.676 -11.844 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 49 8.506 -11.761 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.024 -11.986 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.946 -10.795 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.339 -12.421 -1.496 1.00 0.00 H new ATOM 702 N GLU A 50 8.826 -14.193 -4.212 1.00 0.00 N ATOM 703 CA GLU A 50 9.301 -15.562 -4.326 1.00 0.00 C ATOM 704 C GLU A 50 10.323 -15.862 -3.228 1.00 0.00 C ATOM 705 O GLU A 50 11.348 -15.190 -3.128 1.00 0.00 O ATOM 706 CB GLU A 50 9.893 -15.822 -5.713 1.00 0.00 C ATOM 707 CG GLU A 50 8.799 -15.841 -6.782 1.00 0.00 C ATOM 708 CD GLU A 50 9.382 -15.558 -8.168 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.144 -16.423 -8.651 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.051 -14.484 -8.714 1.00 0.00 O ATOM 0 H GLU A 50 9.129 -13.572 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 50 8.452 -16.233 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.625 -15.050 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.423 -16.774 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.304 -16.812 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.040 -15.096 -6.544 1.00 0.00 H new ATOM 717 N GLY A 51 10.008 -16.873 -2.431 1.00 0.00 N ATOM 718 CA GLY A 51 10.886 -17.271 -1.344 1.00 0.00 C ATOM 719 C GLY A 51 11.576 -16.054 -0.724 1.00 0.00 C ATOM 720 O GLY A 51 12.737 -15.776 -1.022 1.00 0.00 O ATOM 0 H GLY A 51 9.157 -17.428 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.311 -17.796 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.636 -17.969 -1.715 1.00 0.00 H new ATOM 724 N MET A 52 10.834 -15.362 0.127 1.00 0.00 N ATOM 725 CA MET A 52 11.360 -14.182 0.792 1.00 0.00 C ATOM 726 C MET A 52 11.434 -14.392 2.305 1.00 0.00 C ATOM 727 O MET A 52 12.317 -13.851 2.969 1.00 0.00 O ATOM 728 CB MET A 52 10.463 -12.981 0.486 1.00 0.00 C ATOM 729 CG MET A 52 10.529 -12.610 -0.997 1.00 0.00 C ATOM 730 SD MET A 52 12.180 -12.081 -1.420 1.00 0.00 S ATOM 731 CE MET A 52 11.840 -11.171 -2.918 1.00 0.00 C ATOM 0 H MET A 52 9.872 -15.596 0.372 1.00 0.00 H new ATOM 0 HA MET A 52 12.368 -13.998 0.420 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.434 -13.212 0.761 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.771 -12.129 1.092 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.245 -13.467 -1.608 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.816 -11.814 -1.213 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.771 -10.769 -3.318 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.386 -11.836 -3.653 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.155 -10.352 -2.699 1.00 0.00 H new ATOM 741 N GLY A 53 10.494 -15.180 2.808 1.00 0.00 N ATOM 742 CA GLY A 53 10.441 -15.468 4.231 1.00 0.00 C ATOM 743 C GLY A 53 9.233 -14.792 4.883 1.00 0.00 C ATOM 744 O GLY A 53 8.118 -14.880 4.372 1.00 0.00 O ATOM 0 H GLY A 53 9.763 -15.628 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.387 -16.546 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.357 -15.123 4.710 1.00 0.00 H new ATOM 748 N THR A 54 9.497 -14.134 6.002 1.00 0.00 N ATOM 749 CA THR A 54 8.445 -13.443 6.729 1.00 0.00 C ATOM 750 C THR A 54 8.572 -11.930 6.543 1.00 0.00 C ATOM 751 O THR A 54 7.923 -11.158 7.246 1.00 0.00 O ATOM 752 CB THR A 54 8.515 -13.883 8.193 1.00 0.00 C ATOM 753 OG1 THR A 54 9.895 -14.174 8.402 1.00 0.00 O ATOM 754 CG2 THR A 54 7.812 -15.220 8.437 1.00 0.00 C ATOM 0 H THR A 54 10.423 -14.065 6.423 1.00 0.00 H new ATOM 0 HA THR A 54 7.460 -13.704 6.342 1.00 0.00 H new ATOM 0 HB THR A 54 8.066 -13.116 8.824 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.031 -14.466 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.891 -15.486 9.491 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.761 -15.134 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.283 -15.994 7.831 1.00 0.00 H new ATOM 762 N THR A 55 9.413 -11.552 5.591 1.00 0.00 N ATOM 763 CA THR A 55 9.634 -10.145 5.303 1.00 0.00 C ATOM 764 C THR A 55 10.002 -9.954 3.831 1.00 0.00 C ATOM 765 O THR A 55 11.168 -9.744 3.501 1.00 0.00 O ATOM 766 CB THR A 55 10.702 -9.627 6.269 1.00 0.00 C ATOM 767 OG1 THR A 55 11.618 -10.711 6.388 1.00 0.00 O ATOM 768 CG2 THR A 55 10.164 -9.435 7.688 1.00 0.00 C ATOM 0 H THR A 55 9.949 -12.196 5.009 1.00 0.00 H new ATOM 0 HA THR A 55 8.726 -9.562 5.457 1.00 0.00 H new ATOM 0 HB THR A 55 11.097 -8.681 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.345 -10.460 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.962 -9.066 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.347 -8.714 7.673 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.799 -10.388 8.071 1.00 0.00 H new ATOM 776 N PRO A 56 8.959 -10.035 2.962 1.00 0.00 N ATOM 777 CA PRO A 56 9.161 -9.873 1.532 1.00 0.00 C ATOM 778 C PRO A 56 9.389 -8.403 1.174 1.00 0.00 C ATOM 779 O PRO A 56 8.695 -7.522 1.679 1.00 0.00 O ATOM 780 CB PRO A 56 7.911 -10.454 0.890 1.00 0.00 C ATOM 781 CG PRO A 56 6.859 -10.494 1.987 1.00 0.00 C ATOM 782 CD PRO A 56 7.564 -10.283 3.317 1.00 0.00 C ATOM 0 HA PRO A 56 10.053 -10.386 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.580 -9.839 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.102 -11.452 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.109 -9.719 1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.336 -11.450 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.138 -9.440 3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.468 -11.159 3.959 1.00 0.00 H new ATOM 790 N GLU A 57 10.365 -8.184 0.305 1.00 0.00 N ATOM 791 CA GLU A 57 10.693 -6.836 -0.127 1.00 0.00 C ATOM 792 C GLU A 57 10.337 -6.650 -1.604 1.00 0.00 C ATOM 793 O GLU A 57 10.671 -7.490 -2.437 1.00 0.00 O ATOM 794 CB GLU A 57 12.170 -6.525 0.123 1.00 0.00 C ATOM 795 CG GLU A 57 12.503 -6.608 1.614 1.00 0.00 C ATOM 796 CD GLU A 57 12.794 -8.051 2.032 1.00 0.00 C ATOM 797 OE1 GLU A 57 12.608 -8.939 1.172 1.00 0.00 O ATOM 798 OE2 GLU A 57 13.195 -8.234 3.201 1.00 0.00 O ATOM 0 H GLU A 57 10.939 -8.917 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 57 10.102 -6.133 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.792 -7.227 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.404 -5.528 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.367 -5.981 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.670 -6.217 2.199 1.00 0.00 H new ATOM 805 N TRP A 58 9.662 -5.544 -1.881 1.00 0.00 N ATOM 806 CA TRP A 58 9.257 -5.237 -3.242 1.00 0.00 C ATOM 807 C TRP A 58 10.055 -4.018 -3.710 1.00 0.00 C ATOM 808 O TRP A 58 10.447 -3.937 -4.873 1.00 0.00 O ATOM 809 CB TRP A 58 7.744 -5.029 -3.330 1.00 0.00 C ATOM 810 CG TRP A 58 6.923 -6.263 -2.946 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.567 -7.292 -3.726 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.368 -6.555 -1.646 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.826 -8.223 -3.028 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.701 -7.761 -1.723 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.428 -5.826 -0.446 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.043 -8.343 -0.633 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.765 -6.421 0.634 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.089 -7.634 0.574 1.00 0.00 C ATOM 0 H TRP A 58 9.386 -4.850 -1.186 1.00 0.00 H new ATOM 0 HA TRP A 58 9.476 -6.073 -3.907 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.463 -4.201 -2.679 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.486 -4.736 -4.348 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.827 -7.382 -4.770 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.441 -9.091 -3.401 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.945 -4.881 -0.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.527 -9.288 -0.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.780 -5.901 1.580 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.602 -8.028 1.454 1.00 0.00 H new ATOM 829 N ASN A 59 10.272 -3.100 -2.780 1.00 0.00 N ATOM 830 CA ASN A 59 11.016 -1.889 -3.082 1.00 0.00 C ATOM 831 C ASN A 59 10.627 -1.391 -4.475 1.00 0.00 C ATOM 832 O ASN A 59 11.439 -0.780 -5.169 1.00 0.00 O ATOM 833 CB ASN A 59 12.523 -2.154 -3.078 1.00 0.00 C ATOM 834 CG ASN A 59 12.884 -3.255 -2.079 1.00 0.00 C ATOM 835 OD1 ASN A 59 13.507 -4.250 -2.411 1.00 0.00 O ATOM 836 ND2 ASN A 59 12.460 -3.021 -0.840 1.00 0.00 N ATOM 0 H ASN A 59 9.945 -3.170 -1.816 1.00 0.00 H new ATOM 0 HA ASN A 59 10.778 -1.147 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.847 -2.444 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.056 -1.238 -2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.652 -3.696 -0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.943 -2.167 -0.631 1.00 0.00 H new ATOM 843 N GLU A 60 9.386 -1.671 -4.843 1.00 0.00 N ATOM 844 CA GLU A 60 8.879 -1.259 -6.141 1.00 0.00 C ATOM 845 C GLU A 60 8.364 0.181 -6.078 1.00 0.00 C ATOM 846 O GLU A 60 8.465 0.835 -5.041 1.00 0.00 O ATOM 847 CB GLU A 60 7.786 -2.210 -6.631 1.00 0.00 C ATOM 848 CG GLU A 60 8.378 -3.333 -7.485 1.00 0.00 C ATOM 849 CD GLU A 60 9.203 -2.765 -8.641 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.579 -2.166 -9.544 1.00 0.00 O ATOM 851 OE2 GLU A 60 10.440 -2.942 -8.597 1.00 0.00 O ATOM 0 H GLU A 60 8.716 -2.178 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 60 9.699 -1.300 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.260 -2.637 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.050 -1.655 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.006 -3.973 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.576 -3.957 -7.878 1.00 0.00 H new ATOM 858 N THR A 61 7.824 0.633 -7.200 1.00 0.00 N ATOM 859 CA THR A 61 7.294 1.983 -7.285 1.00 0.00 C ATOM 860 C THR A 61 6.071 2.019 -8.205 1.00 0.00 C ATOM 861 O THR A 61 6.163 1.664 -9.379 1.00 0.00 O ATOM 862 CB THR A 61 8.424 2.907 -7.740 1.00 0.00 C ATOM 863 OG1 THR A 61 9.242 3.052 -6.582 1.00 0.00 O ATOM 864 CG2 THR A 61 7.937 4.328 -8.032 1.00 0.00 C ATOM 0 H THR A 61 7.742 0.088 -8.058 1.00 0.00 H new ATOM 0 HA THR A 61 6.942 2.331 -6.314 1.00 0.00 H new ATOM 0 HB THR A 61 8.893 2.493 -8.633 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.001 3.636 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.779 4.943 -8.351 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.187 4.300 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.498 4.755 -7.130 1.00 0.00 H new ATOM 872 N PHE A 62 4.955 2.450 -7.636 1.00 0.00 N ATOM 873 CA PHE A 62 3.716 2.537 -8.390 1.00 0.00 C ATOM 874 C PHE A 62 3.133 3.950 -8.325 1.00 0.00 C ATOM 875 O PHE A 62 2.950 4.501 -7.241 1.00 0.00 O ATOM 876 CB PHE A 62 2.730 1.561 -7.745 1.00 0.00 C ATOM 877 CG PHE A 62 3.285 0.147 -7.561 1.00 0.00 C ATOM 878 CD1 PHE A 62 3.973 -0.172 -6.432 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.090 -0.791 -8.527 1.00 0.00 C ATOM 880 CE1 PHE A 62 4.488 -1.485 -6.262 1.00 0.00 C ATOM 881 CE2 PHE A 62 3.604 -2.103 -8.356 1.00 0.00 C ATOM 882 CZ PHE A 62 4.292 -2.423 -7.227 1.00 0.00 C ATOM 0 H PHE A 62 4.883 2.743 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 62 3.900 2.297 -9.437 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.431 1.952 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.831 1.510 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.128 0.573 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.544 -0.537 -9.424 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.035 -1.738 -5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.449 -2.848 -9.123 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.682 -3.422 -7.097 1.00 0.00 H new ATOM 892 N ILE A 63 2.857 4.496 -9.500 1.00 0.00 N ATOM 893 CA ILE A 63 2.299 5.834 -9.591 1.00 0.00 C ATOM 894 C ILE A 63 0.783 5.738 -9.777 1.00 0.00 C ATOM 895 O ILE A 63 0.296 4.863 -10.492 1.00 0.00 O ATOM 896 CB ILE A 63 3.003 6.636 -10.687 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.507 6.358 -10.690 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.696 8.129 -10.558 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.182 6.979 -9.465 1.00 0.00 C ATOM 0 H ILE A 63 3.010 4.036 -10.397 1.00 0.00 H new ATOM 0 HA ILE A 63 2.474 6.383 -8.665 1.00 0.00 H new ATOM 0 HB ILE A 63 2.614 6.310 -11.652 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.682 5.282 -10.699 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.953 6.761 -11.599 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.209 8.676 -11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.621 8.288 -10.645 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.039 8.488 -9.588 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.251 6.767 -9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.026 8.058 -9.472 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.750 6.556 -8.558 1.00 0.00 H new ATOM 911 N PHE A 64 0.079 6.649 -9.121 1.00 0.00 N ATOM 912 CA PHE A 64 -1.371 6.678 -9.206 1.00 0.00 C ATOM 913 C PHE A 64 -1.880 8.106 -9.416 1.00 0.00 C ATOM 914 O PHE A 64 -1.516 9.014 -8.671 1.00 0.00 O ATOM 915 CB PHE A 64 -1.907 6.150 -7.874 1.00 0.00 C ATOM 916 CG PHE A 64 -1.961 4.623 -7.786 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.925 3.937 -8.458 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.046 3.952 -7.037 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.975 2.521 -8.377 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.096 2.535 -6.957 1.00 0.00 C ATOM 921 CZ PHE A 64 -2.060 1.849 -7.628 1.00 0.00 C ATOM 0 H PHE A 64 0.486 7.373 -8.528 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.706 6.074 -10.049 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.280 6.528 -7.066 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.909 6.549 -7.714 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.652 4.470 -9.053 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.281 4.496 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.740 1.977 -8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.368 2.002 -6.363 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.099 0.771 -7.566 1.00 0.00 H new ATOM 931 N THR A 65 -2.714 8.258 -10.434 1.00 0.00 N ATOM 932 CA THR A 65 -3.277 9.560 -10.752 1.00 0.00 C ATOM 933 C THR A 65 -4.282 9.983 -9.679 1.00 0.00 C ATOM 934 O THR A 65 -5.234 9.257 -9.396 1.00 0.00 O ATOM 935 CB THR A 65 -3.881 9.484 -12.155 1.00 0.00 C ATOM 936 OG1 THR A 65 -2.754 9.562 -13.024 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.708 10.722 -12.505 1.00 0.00 C ATOM 0 H THR A 65 -3.014 7.502 -11.049 1.00 0.00 H new ATOM 0 HA THR A 65 -2.509 10.333 -10.755 1.00 0.00 H new ATOM 0 HB THR A 65 -4.508 8.596 -12.232 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.055 9.518 -13.955 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.114 10.616 -13.511 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.527 10.826 -11.793 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.074 11.608 -12.461 1.00 0.00 H new ATOM 945 N VAL A 66 -4.036 11.154 -9.112 1.00 0.00 N ATOM 946 CA VAL A 66 -4.908 11.682 -8.076 1.00 0.00 C ATOM 947 C VAL A 66 -5.612 12.936 -8.599 1.00 0.00 C ATOM 948 O VAL A 66 -4.978 13.806 -9.193 1.00 0.00 O ATOM 949 CB VAL A 66 -4.108 11.936 -6.797 1.00 0.00 C ATOM 950 CG1 VAL A 66 -2.607 11.773 -7.048 1.00 0.00 C ATOM 951 CG2 VAL A 66 -4.421 13.317 -6.219 1.00 0.00 C ATOM 0 H VAL A 66 -3.245 11.753 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.681 10.957 -7.821 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.408 11.190 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.061 11.959 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.404 10.759 -7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.286 12.485 -7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.839 13.472 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.164 14.084 -6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.484 13.381 -5.984 1.00 0.00 H new ATOM 961 N SER A 67 -6.914 12.988 -8.359 1.00 0.00 N ATOM 962 CA SER A 67 -7.712 14.121 -8.799 1.00 0.00 C ATOM 963 C SER A 67 -8.803 14.423 -7.770 1.00 0.00 C ATOM 964 O SER A 67 -8.771 15.463 -7.113 1.00 0.00 O ATOM 965 CB SER A 67 -8.334 13.857 -10.171 1.00 0.00 C ATOM 966 OG SER A 67 -8.623 15.066 -10.868 1.00 0.00 O ATOM 0 H SER A 67 -7.437 12.264 -7.866 1.00 0.00 H new ATOM 0 HA SER A 67 -7.056 14.987 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.653 13.249 -10.767 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.251 13.281 -10.048 1.00 0.00 H new ATOM 0 HG SER A 67 -9.017 14.855 -11.740 1.00 0.00 H new ATOM 972 N GLU A 68 -9.742 13.495 -7.661 1.00 0.00 N ATOM 973 CA GLU A 68 -10.841 13.649 -6.723 1.00 0.00 C ATOM 974 C GLU A 68 -11.225 12.293 -6.128 1.00 0.00 C ATOM 975 O GLU A 68 -11.632 11.386 -6.852 1.00 0.00 O ATOM 976 CB GLU A 68 -12.045 14.314 -7.393 1.00 0.00 C ATOM 977 CG GLU A 68 -12.949 13.272 -8.055 1.00 0.00 C ATOM 978 CD GLU A 68 -14.009 13.943 -8.931 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.600 14.628 -9.893 1.00 0.00 O ATOM 980 OE2 GLU A 68 -15.205 13.755 -8.618 1.00 0.00 O ATOM 0 H GLU A 68 -9.765 12.634 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.512 14.300 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.614 14.876 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.701 15.029 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.347 12.595 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.435 12.667 -7.289 1.00 0.00 H new ATOM 987 N GLY A 69 -11.083 12.198 -4.814 1.00 0.00 N ATOM 988 CA GLY A 69 -11.409 10.968 -4.113 1.00 0.00 C ATOM 989 C GLY A 69 -10.153 10.322 -3.525 1.00 0.00 C ATOM 990 O GLY A 69 -10.218 9.656 -2.492 1.00 0.00 O ATOM 0 H GLY A 69 -10.746 12.953 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.122 11.178 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.893 10.272 -4.798 1.00 0.00 H new ATOM 994 N THR A 70 -9.039 10.541 -4.207 1.00 0.00 N ATOM 995 CA THR A 70 -7.770 9.988 -3.765 1.00 0.00 C ATOM 996 C THR A 70 -7.308 10.675 -2.478 1.00 0.00 C ATOM 997 O THR A 70 -6.638 11.706 -2.526 1.00 0.00 O ATOM 998 CB THR A 70 -6.771 10.119 -4.916 1.00 0.00 C ATOM 999 OG1 THR A 70 -7.555 9.894 -6.084 1.00 0.00 O ATOM 1000 CG2 THR A 70 -5.743 8.985 -4.932 1.00 0.00 C ATOM 0 H THR A 70 -8.988 11.094 -5.063 1.00 0.00 H new ATOM 0 HA THR A 70 -7.864 8.931 -3.516 1.00 0.00 H new ATOM 0 HB THR A 70 -6.254 11.076 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.995 9.494 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.058 9.126 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.181 8.990 -3.998 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.257 8.030 -5.041 1.00 0.00 H new ATOM 1008 N THR A 71 -7.685 10.077 -1.358 1.00 0.00 N ATOM 1009 CA THR A 71 -7.318 10.618 -0.060 1.00 0.00 C ATOM 1010 C THR A 71 -6.677 9.534 0.808 1.00 0.00 C ATOM 1011 O THR A 71 -6.342 9.778 1.966 1.00 0.00 O ATOM 1012 CB THR A 71 -8.570 11.236 0.565 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.538 10.192 0.508 1.00 0.00 O ATOM 1014 CG2 THR A 71 -9.169 12.348 -0.299 1.00 0.00 C ATOM 0 H THR A 71 -8.241 9.223 -1.322 1.00 0.00 H new ATOM 0 HA THR A 71 -6.565 11.400 -0.156 1.00 0.00 H new ATOM 0 HB THR A 71 -8.325 11.634 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.382 10.507 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.055 12.752 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.434 13.142 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.445 11.943 -1.273 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.526 8.358 0.215 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.931 7.236 0.920 1.00 0.00 C ATOM 1024 C GLU A 72 -5.755 6.047 -0.027 1.00 0.00 C ATOM 1025 O GLU A 72 -6.590 5.816 -0.900 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.770 6.847 2.139 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.853 5.835 1.758 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.137 6.081 2.553 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.069 5.956 3.795 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -10.158 6.388 1.900 1.00 0.00 O ATOM 0 H GLU A 72 -6.806 8.159 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.947 7.538 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.125 6.423 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.233 7.737 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.063 5.906 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.493 4.823 1.946 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.664 5.324 0.178 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.368 4.165 -0.647 1.00 0.00 C ATOM 1039 C LEU A 73 -4.696 2.892 0.134 1.00 0.00 C ATOM 1040 O LEU A 73 -4.537 2.848 1.353 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.925 4.222 -1.153 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.463 3.033 -1.998 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.962 3.158 -3.439 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.944 2.868 -1.929 1.00 0.00 C ATOM 0 H LEU A 73 -3.974 5.518 0.904 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.994 4.162 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.803 5.131 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.262 4.310 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.904 2.127 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.620 2.300 -4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.052 3.189 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.571 4.074 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.643 2.016 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.463 3.771 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.643 2.699 -0.895 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.148 1.885 -0.600 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.500 0.614 0.010 1.00 0.00 C ATOM 1058 C LYS A 74 -4.509 -0.458 -0.449 1.00 0.00 C ATOM 1059 O LYS A 74 -4.469 -0.809 -1.627 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.961 0.266 -0.283 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.872 0.720 0.859 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.776 2.232 1.069 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.156 2.887 0.973 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.399 3.385 -0.399 1.00 0.00 N ATOM 0 H LYS A 74 -5.278 1.924 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.423 0.677 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.273 0.742 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.061 -0.810 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.903 0.445 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.594 0.203 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.338 2.440 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.111 2.665 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.927 2.167 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.224 3.711 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.339 3.826 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.674 4.088 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.355 2.591 -1.069 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.733 -0.948 0.507 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.745 -1.973 0.216 1.00 0.00 C ATOM 1080 C ALA A 75 -3.189 -3.297 0.843 1.00 0.00 C ATOM 1081 O ALA A 75 -3.312 -3.400 2.062 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.375 -1.519 0.723 1.00 0.00 C ATOM 0 H ALA A 75 -3.769 -0.654 1.483 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.660 -2.130 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.633 -2.288 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.092 -0.591 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.422 -1.355 1.800 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.418 -4.276 -0.020 1.00 0.00 N ATOM 1089 CA LYS A 76 -3.846 -5.588 0.433 1.00 0.00 C ATOM 1090 C LYS A 76 -2.772 -6.619 0.083 1.00 0.00 C ATOM 1091 O LYS A 76 -2.173 -6.557 -0.990 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.229 -5.925 -0.130 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.324 -5.151 0.607 1.00 0.00 C ATOM 1094 CD LYS A 76 -7.696 -5.784 0.370 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.669 -5.419 1.493 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.950 -4.933 0.931 1.00 0.00 N ATOM 0 H LYS A 76 -3.315 -4.186 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.958 -5.599 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.261 -5.685 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.412 -6.996 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.107 -5.134 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.334 -4.115 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.096 -5.447 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.595 -6.868 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.849 -6.290 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.229 -4.650 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.599 -4.690 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.776 -4.090 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.376 -5.678 0.344 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.560 -7.544 1.008 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.569 -8.587 0.811 1.00 0.00 C ATOM 1112 C ILE A 77 -2.278 -9.914 0.533 1.00 0.00 C ATOM 1113 O ILE A 77 -3.119 -10.348 1.319 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.605 -8.642 1.998 1.00 0.00 C ATOM 1115 CG1 ILE A 77 0.074 -7.288 2.216 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.412 -9.772 1.827 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.727 -6.424 3.192 1.00 0.00 C ATOM 0 H ILE A 77 -3.059 -7.592 1.897 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.953 -8.366 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.182 -8.862 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.082 -7.441 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.173 -6.769 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.085 -9.789 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.112 -10.725 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.988 -9.608 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.223 -5.467 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.726 -6.253 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.804 -6.935 4.152 1.00 0.00 H new ATOM 1129 N PHE A 78 -1.914 -10.520 -0.587 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.505 -11.789 -0.977 1.00 0.00 C ATOM 1131 C PHE A 78 -1.426 -12.794 -1.387 1.00 0.00 C ATOM 1132 O PHE A 78 -0.288 -12.413 -1.656 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.408 -11.509 -2.180 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.638 -10.660 -1.852 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.754 -11.248 -1.343 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.614 -9.318 -2.068 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.895 -10.460 -1.038 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.756 -8.530 -1.762 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.872 -9.117 -1.254 1.00 0.00 C ATOM 0 H PHE A 78 -1.217 -10.156 -1.237 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.060 -12.214 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.825 -11.003 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.737 -12.458 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.772 -12.314 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.728 -8.851 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.781 -10.927 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.737 -7.464 -1.933 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.740 -8.518 -1.022 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.823 -14.058 -1.421 1.00 0.00 N ATOM 1150 CA ASP A 79 -0.904 -15.120 -1.794 1.00 0.00 C ATOM 1151 C ASP A 79 -0.846 -15.227 -3.319 1.00 0.00 C ATOM 1152 O ASP A 79 -1.781 -14.824 -4.009 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.370 -16.469 -1.243 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.248 -17.455 -0.912 1.00 0.00 C ATOM 1155 OD1 ASP A 79 0.751 -16.999 -0.315 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -0.414 -18.643 -1.264 1.00 0.00 O ATOM 0 H ASP A 79 -2.768 -14.370 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 79 0.075 -14.879 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.956 -16.293 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.036 -16.931 -1.971 1.00 0.00 H new ATOM 1161 N LYS A 80 0.262 -15.772 -3.800 1.00 0.00 N ATOM 1162 CA LYS A 80 0.455 -15.937 -5.230 1.00 0.00 C ATOM 1163 C LYS A 80 -0.622 -16.874 -5.781 1.00 0.00 C ATOM 1164 O LYS A 80 -0.790 -16.987 -6.994 1.00 0.00 O ATOM 1165 CB LYS A 80 1.883 -16.397 -5.529 1.00 0.00 C ATOM 1166 CG LYS A 80 1.993 -17.922 -5.460 1.00 0.00 C ATOM 1167 CD LYS A 80 3.424 -18.382 -5.747 1.00 0.00 C ATOM 1168 CE LYS A 80 3.459 -19.364 -6.920 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.487 -20.404 -6.695 1.00 0.00 N ATOM 0 H LYS A 80 1.035 -16.105 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 80 0.339 -14.982 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.180 -16.052 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.571 -15.946 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.687 -18.268 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.311 -18.372 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.049 -17.518 -5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.843 -18.855 -4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.481 -19.831 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.672 -18.828 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.497 -21.062 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.421 -19.955 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.267 -20.927 -5.824 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.322 -17.523 -4.862 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.378 -18.447 -5.241 1.00 0.00 C ATOM 1185 C ASP A 81 -3.703 -17.976 -4.637 1.00 0.00 C ATOM 1186 O ASP A 81 -4.243 -18.620 -3.738 1.00 0.00 O ATOM 1187 CB ASP A 81 -2.092 -19.855 -4.714 1.00 0.00 C ATOM 1188 CG ASP A 81 -0.858 -20.531 -5.314 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -0.476 -20.126 -6.433 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -0.324 -21.438 -4.639 1.00 0.00 O ATOM 0 H ASP A 81 -1.179 -17.427 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.430 -18.473 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.970 -19.804 -3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.962 -20.483 -4.907 1.00 0.00 H new ATOM 1195 N VAL A 82 -4.188 -16.857 -5.154 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.439 -16.293 -4.677 1.00 0.00 C ATOM 1197 C VAL A 82 -5.820 -15.097 -5.552 1.00 0.00 C ATOM 1198 O VAL A 82 -5.008 -14.617 -6.342 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.320 -15.936 -3.195 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -4.157 -14.971 -2.955 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -6.632 -15.355 -2.664 1.00 0.00 C ATOM 0 H VAL A 82 -3.737 -16.326 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.243 -17.024 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.113 -16.854 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.095 -14.733 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.226 -15.436 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.321 -14.055 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.520 -15.110 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.882 -14.453 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.429 -16.088 -2.784 1.00 0.00 H new ATOM 1211 N GLY A 83 -7.055 -14.649 -5.381 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.554 -13.518 -6.145 1.00 0.00 C ATOM 1213 C GLY A 83 -7.930 -12.357 -5.223 1.00 0.00 C ATOM 1214 O GLY A 83 -8.579 -12.559 -4.197 1.00 0.00 O ATOM 0 H GLY A 83 -7.725 -15.049 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.795 -13.191 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.425 -13.823 -6.726 1.00 0.00 H new ATOM 1218 N THR A 84 -7.507 -11.166 -5.620 1.00 0.00 N ATOM 1219 CA THR A 84 -7.791 -9.972 -4.842 1.00 0.00 C ATOM 1220 C THR A 84 -9.173 -10.076 -4.193 1.00 0.00 C ATOM 1221 O THR A 84 -9.370 -9.617 -3.069 1.00 0.00 O ATOM 1222 CB THR A 84 -7.642 -8.760 -5.764 1.00 0.00 C ATOM 1223 OG1 THR A 84 -8.555 -9.019 -6.827 1.00 0.00 O ATOM 1224 CG2 THR A 84 -6.275 -8.711 -6.450 1.00 0.00 C ATOM 0 H THR A 84 -6.969 -11.002 -6.471 1.00 0.00 H new ATOM 0 HA THR A 84 -7.087 -9.859 -4.018 1.00 0.00 H new ATOM 0 HB THR A 84 -7.793 -7.846 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.525 -8.281 -7.471 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.222 -7.832 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.491 -8.657 -5.695 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.138 -9.609 -7.052 1.00 0.00 H new ATOM 1232 N GLU A 85 -10.094 -10.680 -4.929 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.451 -10.849 -4.440 1.00 0.00 C ATOM 1234 C GLU A 85 -11.631 -12.249 -3.848 1.00 0.00 C ATOM 1235 O GLU A 85 -12.503 -13.002 -4.280 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.471 -10.588 -5.549 1.00 0.00 C ATOM 1237 CG GLU A 85 -12.297 -9.185 -6.134 1.00 0.00 C ATOM 1238 CD GLU A 85 -13.500 -8.797 -6.997 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -14.633 -9.081 -6.552 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.259 -8.227 -8.083 1.00 0.00 O ATOM 0 H GLU A 85 -9.927 -11.059 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.626 -10.116 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.355 -11.332 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.481 -10.698 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.176 -8.463 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.388 -9.147 -6.734 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.793 -12.555 -2.869 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.849 -13.851 -2.214 1.00 0.00 C ATOM 1249 C ASP A 86 -10.573 -13.675 -0.719 1.00 0.00 C ATOM 1250 O ASP A 86 -11.452 -13.908 0.110 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.792 -14.801 -2.781 1.00 0.00 C ATOM 1252 CG ASP A 86 -10.090 -16.289 -2.588 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -10.872 -16.596 -1.663 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.530 -17.086 -3.372 1.00 0.00 O ATOM 0 H ASP A 86 -10.071 -11.928 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.840 -14.272 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.682 -14.603 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.833 -14.574 -2.314 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.350 -13.263 -0.420 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.947 -13.053 0.960 1.00 0.00 C ATOM 1261 C ASP A 87 -7.462 -12.689 1.003 1.00 0.00 C ATOM 1262 O ASP A 87 -6.615 -13.473 0.577 1.00 0.00 O ATOM 1263 CB ASP A 87 -9.148 -14.321 1.792 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.853 -14.109 3.133 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.276 -13.380 3.968 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.953 -14.681 3.293 1.00 0.00 O ATOM 0 H ASP A 87 -8.625 -13.069 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.560 -12.251 1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.725 -15.035 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.174 -14.774 1.978 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.191 -11.501 1.522 1.00 0.00 N ATOM 1272 CA ALA A 88 -5.822 -11.024 1.627 1.00 0.00 C ATOM 1273 C ALA A 88 -5.296 -11.303 3.037 1.00 0.00 C ATOM 1274 O ALA A 88 -5.962 -10.993 4.024 1.00 0.00 O ATOM 1275 CB ALA A 88 -5.771 -9.537 1.269 1.00 0.00 C ATOM 0 H ALA A 88 -7.896 -10.854 1.875 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.177 -11.551 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.745 -9.179 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.127 -9.396 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.405 -8.976 1.955 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.107 -11.885 3.086 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.484 -12.209 4.358 1.00 0.00 C ATOM 1283 C VAL A 89 -3.643 -11.025 5.315 1.00 0.00 C ATOM 1284 O VAL A 89 -3.665 -11.205 6.531 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.023 -12.608 4.138 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.906 -14.095 3.800 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.376 -11.746 3.052 1.00 0.00 C ATOM 0 H VAL A 89 -3.558 -12.141 2.265 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.976 -13.067 4.817 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.484 -12.433 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.858 -14.352 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.310 -14.688 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.467 -14.306 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.338 -12.051 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.918 -11.874 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.410 -10.698 3.351 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.751 -9.842 4.729 1.00 0.00 N ATOM 1298 CA GLY A 90 -3.908 -8.629 5.514 1.00 0.00 C ATOM 1299 C GLY A 90 -3.958 -7.395 4.612 1.00 0.00 C ATOM 1300 O GLY A 90 -3.851 -7.508 3.392 1.00 0.00 O ATOM 0 H GLY A 90 -3.733 -9.697 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.822 -8.690 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.080 -8.537 6.217 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.120 -6.243 5.248 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.186 -4.989 4.518 1.00 0.00 C ATOM 1306 C GLU A 91 -3.711 -3.835 5.403 1.00 0.00 C ATOM 1307 O GLU A 91 -3.490 -4.015 6.599 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.601 -4.732 3.995 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.512 -4.214 5.109 1.00 0.00 C ATOM 1310 CD GLU A 91 -6.954 -2.776 4.832 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.891 -2.617 4.020 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.346 -1.868 5.439 1.00 0.00 O ATOM 0 H GLU A 91 -4.207 -6.153 6.260 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.523 -5.058 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.566 -4.006 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.013 -5.653 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.388 -4.857 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.987 -4.259 6.063 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.567 -2.674 4.780 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.122 -1.490 5.496 1.00 0.00 C ATOM 1321 C ALA A 92 -3.667 -0.242 4.798 1.00 0.00 C ATOM 1322 O ALA A 92 -3.681 -0.170 3.570 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.595 -1.490 5.583 1.00 0.00 C ATOM 0 H ALA A 92 -3.751 -2.528 3.787 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.506 -1.491 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.261 -0.602 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.261 -2.382 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.173 -1.486 4.578 1.00 0.00 H new ATOM 1329 N THR A 93 -4.101 0.710 5.611 1.00 0.00 N ATOM 1330 CA THR A 93 -4.644 1.951 5.087 1.00 0.00 C ATOM 1331 C THR A 93 -3.559 3.028 5.035 1.00 0.00 C ATOM 1332 O THR A 93 -3.085 3.487 6.073 1.00 0.00 O ATOM 1333 CB THR A 93 -5.847 2.341 5.948 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.856 1.404 5.580 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.436 3.697 5.552 1.00 0.00 C ATOM 0 H THR A 93 -4.087 0.647 6.629 1.00 0.00 H new ATOM 0 HA THR A 93 -4.987 1.830 4.059 1.00 0.00 H new ATOM 0 HB THR A 93 -5.549 2.367 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.672 1.583 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.287 3.926 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.677 4.471 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.764 3.662 4.513 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.198 3.401 3.816 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.178 4.416 3.615 1.00 0.00 C ATOM 1345 C ILE A 94 -2.840 5.712 3.145 1.00 0.00 C ATOM 1346 O ILE A 94 -3.194 5.843 1.974 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.090 3.902 2.670 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.396 2.668 3.251 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.094 5.011 2.326 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.382 1.520 2.240 1.00 0.00 C ATOM 0 H ILE A 94 -3.594 3.018 2.957 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.672 4.639 4.554 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.565 3.595 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.626 2.921 3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.909 2.351 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.669 4.619 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.619 5.833 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.379 5.372 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.117 0.655 2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.406 1.254 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.153 1.832 1.343 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.991 6.662 4.106 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.604 7.944 3.801 1.00 0.00 C ATOM 1364 C PRO A 95 -2.643 8.840 3.018 1.00 0.00 C ATOM 1365 O PRO A 95 -1.433 8.801 3.239 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.991 8.525 5.151 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.168 7.770 6.182 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.583 6.542 5.503 1.00 0.00 C ATOM 0 HA PRO A 95 -4.478 7.849 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.781 9.594 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.058 8.403 5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.373 8.404 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.790 7.478 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.497 6.516 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.964 5.623 5.949 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.216 9.626 2.119 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.425 10.530 1.302 1.00 0.00 C ATOM 1378 C LEU A 96 -2.529 11.947 1.870 1.00 0.00 C ATOM 1379 O LEU A 96 -1.943 12.882 1.326 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.838 10.424 -0.167 1.00 0.00 C ATOM 1381 CG LEU A 96 -3.189 9.021 -0.666 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.663 9.059 -2.121 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -2.015 8.060 -0.471 1.00 0.00 C ATOM 0 H LEU A 96 -4.219 9.656 1.938 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.372 10.250 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.700 11.072 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.026 10.814 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.017 8.643 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.906 8.049 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.549 9.689 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.872 9.466 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.291 7.070 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.151 8.423 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.765 8.001 0.588 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.280 12.061 2.956 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.468 13.349 3.603 1.00 0.00 C ATOM 1397 C GLU A 97 -2.118 13.936 4.020 1.00 0.00 C ATOM 1398 O GLU A 97 -1.879 15.131 3.854 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.407 13.226 4.804 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.527 14.265 4.733 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.277 14.356 6.064 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -7.102 13.451 6.313 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -6.008 15.328 6.802 1.00 0.00 O ATOM 0 H GLU A 97 -3.765 11.283 3.404 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.932 14.029 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.836 12.225 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.842 13.358 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.108 15.239 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.223 14.001 3.937 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.249 13.045 4.568 1.00 0.00 N ATOM 1411 CA PRO A 98 0.071 13.462 5.010 1.00 0.00 C ATOM 1412 C PRO A 98 1.002 13.690 3.817 1.00 0.00 C ATOM 1413 O PRO A 98 1.905 14.523 3.881 1.00 0.00 O ATOM 1414 CB PRO A 98 0.547 12.351 5.931 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.316 11.142 5.607 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.498 11.622 4.780 1.00 0.00 C ATOM 0 HA PRO A 98 0.056 14.417 5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.602 12.133 5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.440 12.638 6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.260 10.399 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.661 10.662 6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.562 11.086 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.440 11.459 5.304 1.00 0.00 H new ATOM 1424 N VAL A 99 0.750 12.936 2.758 1.00 0.00 N ATOM 1425 CA VAL A 99 1.554 13.045 1.552 1.00 0.00 C ATOM 1426 C VAL A 99 0.981 14.148 0.660 1.00 0.00 C ATOM 1427 O VAL A 99 1.518 14.427 -0.411 1.00 0.00 O ATOM 1428 CB VAL A 99 1.632 11.688 0.850 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.460 11.503 -0.116 1.00 0.00 C ATOM 1430 CG2 VAL A 99 2.970 11.521 0.127 1.00 0.00 C ATOM 0 H VAL A 99 -0.000 12.246 2.709 1.00 0.00 H new ATOM 0 HA VAL A 99 2.577 13.326 1.800 1.00 0.00 H new ATOM 0 HB VAL A 99 1.564 10.912 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.539 10.531 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.478 11.558 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.483 12.289 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.000 10.548 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.081 12.307 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.784 11.588 0.848 1.00 0.00 H new ATOM 1440 N PHE A 100 -0.102 14.746 1.135 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.754 15.812 0.394 1.00 0.00 C ATOM 1442 C PHE A 100 -0.347 17.184 0.934 1.00 0.00 C ATOM 1443 O PHE A 100 -0.276 18.155 0.183 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.262 15.630 0.581 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.879 14.572 -0.336 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -2.103 13.922 -1.243 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -4.205 14.282 -0.243 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.676 12.940 -2.094 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.778 13.301 -1.094 1.00 0.00 C ATOM 1450 CZ PHE A 100 -4.002 12.650 -2.002 1.00 0.00 C ATOM 0 H PHE A 100 -0.544 14.512 2.024 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.466 15.765 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.459 15.357 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.758 16.584 0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.050 14.152 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.821 14.798 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.059 12.423 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.831 13.071 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.438 11.904 -2.649 1.00 0.00 H new ATOM 1460 N VAL A 101 -0.091 17.220 2.234 1.00 0.00 N ATOM 1461 CA VAL A 101 0.307 18.457 2.884 1.00 0.00 C ATOM 1462 C VAL A 101 1.834 18.518 2.964 1.00 0.00 C ATOM 1463 O VAL A 101 2.419 19.599 2.915 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.368 18.570 4.252 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.805 18.049 4.199 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.442 17.839 5.325 1.00 0.00 C ATOM 0 H VAL A 101 -0.152 16.412 2.854 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.023 19.317 2.302 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.405 19.626 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.262 18.141 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.377 18.633 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.801 17.002 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.060 17.935 6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.525 16.784 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.438 18.276 5.390 1.00 0.00 H new ATOM 1476 N GLU A 102 2.436 17.344 3.085 1.00 0.00 N ATOM 1477 CA GLU A 102 3.883 17.250 3.172 1.00 0.00 C ATOM 1478 C GLU A 102 4.499 17.231 1.771 1.00 0.00 C ATOM 1479 O GLU A 102 5.596 17.746 1.565 1.00 0.00 O ATOM 1480 CB GLU A 102 4.305 16.017 3.973 1.00 0.00 C ATOM 1481 CG GLU A 102 3.680 16.030 5.370 1.00 0.00 C ATOM 1482 CD GLU A 102 4.714 16.412 6.430 1.00 0.00 C ATOM 1483 OE1 GLU A 102 4.942 17.631 6.587 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.254 15.477 7.060 1.00 0.00 O ATOM 0 H GLU A 102 1.948 16.449 3.125 1.00 0.00 H new ATOM 0 HA GLU A 102 4.254 18.129 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.002 15.114 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.391 15.988 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.851 16.737 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.268 15.047 5.597 1.00 0.00 H new ATOM 1491 N GLY A 103 3.765 16.631 0.845 1.00 0.00 N ATOM 1492 CA GLY A 103 4.226 16.538 -0.530 1.00 0.00 C ATOM 1493 C GLY A 103 5.156 15.338 -0.716 1.00 0.00 C ATOM 1494 O GLY A 103 5.540 15.014 -1.839 1.00 0.00 O ATOM 0 H GLY A 103 2.855 16.205 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.370 16.447 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.749 17.454 -0.805 1.00 0.00 H new ATOM 1498 N SER A 104 5.493 14.711 0.402 1.00 0.00 N ATOM 1499 CA SER A 104 6.372 13.554 0.375 1.00 0.00 C ATOM 1500 C SER A 104 6.442 12.919 1.765 1.00 0.00 C ATOM 1501 O SER A 104 6.585 13.620 2.766 1.00 0.00 O ATOM 1502 CB SER A 104 7.773 13.938 -0.104 1.00 0.00 C ATOM 1503 OG SER A 104 8.385 14.900 0.750 1.00 0.00 O ATOM 0 H SER A 104 5.173 14.982 1.332 1.00 0.00 H new ATOM 0 HA SER A 104 5.963 12.829 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.397 13.046 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.713 14.338 -1.116 1.00 0.00 H new ATOM 0 HG SER A 104 9.278 15.117 0.411 1.00 0.00 H new ATOM 1509 N ILE A 105 6.338 11.598 1.783 1.00 0.00 N ATOM 1510 CA ILE A 105 6.387 10.860 3.034 1.00 0.00 C ATOM 1511 C ILE A 105 7.379 9.703 2.900 1.00 0.00 C ATOM 1512 O ILE A 105 7.442 9.053 1.858 1.00 0.00 O ATOM 1513 CB ILE A 105 4.983 10.421 3.453 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.005 11.597 3.411 1.00 0.00 C ATOM 1515 CG2 ILE A 105 5.007 9.745 4.825 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.116 12.448 4.678 1.00 0.00 C ATOM 0 H ILE A 105 6.220 11.020 0.951 1.00 0.00 H new ATOM 0 HA ILE A 105 6.749 11.499 3.839 1.00 0.00 H new ATOM 0 HB ILE A 105 4.628 9.681 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.209 12.213 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.986 11.224 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.996 9.443 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.651 8.866 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.391 10.444 5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.410 13.277 4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.887 11.835 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.129 12.840 4.766 1.00 0.00 H new ATOM 1528 N PRO A 106 8.149 9.475 3.997 1.00 0.00 N ATOM 1529 CA PRO A 106 9.135 8.408 4.012 1.00 0.00 C ATOM 1530 C PRO A 106 8.461 7.042 4.158 1.00 0.00 C ATOM 1531 O PRO A 106 7.260 6.962 4.412 1.00 0.00 O ATOM 1532 CB PRO A 106 10.059 8.742 5.171 1.00 0.00 C ATOM 1533 CG PRO A 106 9.293 9.720 6.047 1.00 0.00 C ATOM 1534 CD PRO A 106 8.102 10.225 5.249 1.00 0.00 C ATOM 0 HA PRO A 106 9.697 8.340 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.326 7.844 5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.989 9.184 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.960 9.232 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.934 10.550 6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.167 10.050 5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.171 11.298 5.071 1.00 0.00 H new ATOM 1542 N PRO A 107 9.285 5.974 3.987 1.00 0.00 N ATOM 1543 CA PRO A 107 8.782 4.615 4.097 1.00 0.00 C ATOM 1544 C PRO A 107 8.539 4.237 5.560 1.00 0.00 C ATOM 1545 O PRO A 107 9.484 3.965 6.299 1.00 0.00 O ATOM 1546 CB PRO A 107 9.836 3.749 3.427 1.00 0.00 C ATOM 1547 CG PRO A 107 11.100 4.593 3.381 1.00 0.00 C ATOM 1548 CD PRO A 107 10.712 6.031 3.685 1.00 0.00 C ATOM 0 HA PRO A 107 7.814 4.485 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.001 2.829 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.523 3.459 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.827 4.232 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.570 4.524 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.280 6.425 4.528 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.911 6.683 2.835 1.00 0.00 H new ATOM 1556 N THR A 108 7.268 4.233 5.933 1.00 0.00 N ATOM 1557 CA THR A 108 6.889 3.893 7.294 1.00 0.00 C ATOM 1558 C THR A 108 6.079 2.595 7.314 1.00 0.00 C ATOM 1559 O THR A 108 5.346 2.302 6.370 1.00 0.00 O ATOM 1560 CB THR A 108 6.139 5.087 7.889 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.166 5.891 8.463 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.263 4.694 9.080 1.00 0.00 C ATOM 0 H THR A 108 6.487 4.460 5.317 1.00 0.00 H new ATOM 0 HA THR A 108 7.766 3.701 7.912 1.00 0.00 H new ATOM 0 HB THR A 108 5.519 5.546 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.768 6.689 8.870 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.753 5.578 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.524 3.959 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.887 4.265 9.864 1.00 0.00 H new ATOM 1570 N ALA A 109 6.237 1.853 8.400 1.00 0.00 N ATOM 1571 CA ALA A 109 5.530 0.593 8.555 1.00 0.00 C ATOM 1572 C ALA A 109 4.093 0.872 9.001 1.00 0.00 C ATOM 1573 O ALA A 109 3.845 1.145 10.174 1.00 0.00 O ATOM 1574 CB ALA A 109 6.284 -0.298 9.544 1.00 0.00 C ATOM 0 H ALA A 109 6.844 2.100 9.181 1.00 0.00 H new ATOM 0 HA ALA A 109 5.484 0.060 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.753 -1.243 9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.289 -0.490 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.348 0.203 10.510 1.00 0.00 H new ATOM 1580 N TYR A 110 3.184 0.794 8.040 1.00 0.00 N ATOM 1581 CA TYR A 110 1.778 1.035 8.319 1.00 0.00 C ATOM 1582 C TYR A 110 1.128 -0.193 8.961 1.00 0.00 C ATOM 1583 O TYR A 110 1.355 -1.320 8.523 1.00 0.00 O ATOM 1584 CB TYR A 110 1.118 1.297 6.964 1.00 0.00 C ATOM 1585 CG TYR A 110 1.614 2.564 6.264 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.184 3.803 6.695 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.491 2.468 5.203 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.651 4.996 6.037 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.958 3.661 4.545 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.515 4.866 4.995 1.00 0.00 C ATOM 1591 OH TYR A 110 2.955 5.992 4.373 1.00 0.00 O ATOM 0 H TYR A 110 3.393 0.567 7.068 1.00 0.00 H new ATOM 0 HA TYR A 110 1.661 1.871 9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.297 0.441 6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.040 1.371 7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.498 3.878 7.525 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.827 1.499 4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.322 5.972 6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.644 3.600 3.713 1.00 0.00 H new ATOM 0 HH TYR A 110 3.567 5.747 3.648 1.00 0.00 H new ATOM 1601 N ASN A 111 0.333 0.067 9.988 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.351 -1.002 10.694 1.00 0.00 C ATOM 1603 C ASN A 111 -1.082 -1.889 9.684 1.00 0.00 C ATOM 1604 O ASN A 111 -1.837 -1.393 8.849 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.388 -0.443 11.670 1.00 0.00 C ATOM 1606 CG ASN A 111 -0.822 0.744 12.452 1.00 0.00 C ATOM 1607 OD1 ASN A 111 0.277 1.214 12.207 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.631 1.200 13.404 1.00 0.00 N ATOM 0 H ASN A 111 0.147 1.003 10.348 1.00 0.00 H new ATOM 0 HA ASN A 111 0.395 -1.571 11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.277 -0.131 11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.699 -1.225 12.363 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.344 1.990 13.982 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.538 0.760 13.556 1.00 0.00 H new ATOM 1615 N VAL A 112 -0.832 -3.186 9.793 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.457 -4.146 8.899 1.00 0.00 C ATOM 1617 C VAL A 112 -2.448 -5.002 9.690 1.00 0.00 C ATOM 1618 O VAL A 112 -2.049 -5.780 10.555 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.385 -4.974 8.189 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.001 -6.192 7.498 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.400 -4.118 7.194 1.00 0.00 C ATOM 0 H VAL A 112 -0.205 -3.594 10.487 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.021 -3.633 8.120 1.00 0.00 H new ATOM 0 HB VAL A 112 0.314 -5.335 8.944 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.217 -6.763 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.494 -6.821 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.732 -5.861 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.156 -4.731 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.281 -3.713 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.886 -3.298 7.723 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.721 -4.830 9.364 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.772 -5.578 10.033 1.00 0.00 C ATOM 1633 C VAL A 113 -5.410 -6.552 9.041 1.00 0.00 C ATOM 1634 O VAL A 113 -5.108 -6.516 7.849 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.783 -4.614 10.658 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.491 -4.402 12.145 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -5.805 -3.281 9.908 1.00 0.00 C ATOM 0 H VAL A 113 -4.048 -4.184 8.646 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.359 -6.170 10.850 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.772 -5.063 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.224 -3.713 12.565 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.550 -5.357 12.667 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.491 -3.985 12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.532 -2.614 10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.816 -2.825 9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.083 -3.453 8.868 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.280 -7.400 9.570 1.00 0.00 N ATOM 1648 CA LYS A 114 -6.963 -8.383 8.745 1.00 0.00 C ATOM 1649 C LYS A 114 -8.337 -8.681 9.348 1.00 0.00 C ATOM 1650 O LYS A 114 -8.471 -9.574 10.184 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.090 -9.625 8.558 1.00 0.00 C ATOM 1652 CG LYS A 114 -6.894 -10.774 7.946 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.567 -10.338 6.643 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.514 -11.423 6.126 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.572 -10.826 5.280 1.00 0.00 N ATOM 0 H LYS A 114 -6.528 -7.427 10.559 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.133 -7.988 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.244 -9.385 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.681 -9.935 9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.236 -11.621 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.650 -11.112 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.122 -9.414 6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.808 -10.124 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.953 -12.160 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.966 -11.950 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.835 -11.496 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.406 -10.615 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.219 -9.947 4.851 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.323 -7.918 8.901 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.681 -8.090 9.386 1.00 0.00 C ATOM 1671 C ASP A 115 -10.891 -7.215 10.624 1.00 0.00 C ATOM 1672 O ASP A 115 -12.011 -6.794 10.908 1.00 0.00 O ATOM 1673 CB ASP A 115 -10.944 -9.543 9.785 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.398 -9.999 9.646 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.243 -9.122 9.364 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.631 -11.214 9.826 1.00 0.00 O ATOM 0 H ASP A 115 -9.208 -7.179 8.208 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.363 -7.807 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.316 -10.191 9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.633 -9.682 10.820 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.795 -6.966 11.326 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.845 -6.149 12.526 1.00 0.00 C ATOM 1683 C GLU A 116 -8.633 -6.437 13.415 1.00 0.00 C ATOM 1684 O GLU A 116 -8.261 -5.613 14.249 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.151 -6.375 13.290 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.476 -7.867 13.391 1.00 0.00 C ATOM 1687 CD GLU A 116 -12.121 -8.198 14.739 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -13.289 -7.795 14.923 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -11.430 -8.847 15.554 1.00 0.00 O ATOM 0 H GLU A 116 -8.867 -7.316 11.086 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.813 -5.101 12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.070 -5.948 14.290 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.966 -5.855 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.149 -8.152 12.582 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.564 -8.451 13.267 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.052 -7.609 13.207 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.890 -8.016 13.979 1.00 0.00 C ATOM 1698 C GLU A 117 -5.610 -7.488 13.329 1.00 0.00 C ATOM 1699 O GLU A 117 -5.556 -7.305 12.114 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.840 -9.537 14.133 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.049 -9.948 15.592 1.00 0.00 C ATOM 1702 CD GLU A 117 -6.084 -9.201 16.515 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -4.910 -9.626 16.573 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -6.543 -8.222 17.142 1.00 0.00 O ATOM 0 H GLU A 117 -8.364 -8.290 12.515 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.972 -7.585 14.977 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.608 -9.995 13.509 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.878 -9.910 13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.077 -9.739 15.889 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.899 -11.023 15.696 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.610 -7.258 14.168 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.333 -6.755 13.690 1.00 0.00 C ATOM 1713 C TYR A 118 -2.427 -7.901 13.237 1.00 0.00 C ATOM 1714 O TYR A 118 -1.997 -8.717 14.051 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.685 -6.049 14.883 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.404 -5.289 14.535 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.462 -4.174 13.724 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.190 -5.718 15.032 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.256 -3.458 13.396 1.00 0.00 C ATOM 1720 CE2 TYR A 118 1.016 -5.002 14.705 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.923 -3.908 13.903 1.00 0.00 C ATOM 1722 OH TYR A 118 2.063 -3.232 13.594 1.00 0.00 O ATOM 0 H TYR A 118 -4.658 -7.411 15.175 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.477 -6.090 12.838 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.404 -5.352 15.314 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.459 -6.789 15.651 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.412 -3.838 13.335 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.144 -6.591 15.666 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.287 -2.584 12.762 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.972 -5.327 15.088 1.00 0.00 H new ATOM 0 HH TYR A 118 2.828 -3.666 14.026 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.162 -7.927 11.939 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.314 -8.959 11.368 1.00 0.00 C ATOM 1734 C LYS A 119 0.153 -8.578 11.571 1.00 0.00 C ATOM 1735 O LYS A 119 0.929 -9.354 12.126 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.688 -9.211 9.906 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.182 -9.508 9.765 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.566 -10.770 10.540 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.272 -10.415 11.850 1.00 0.00 C ATOM 1740 NZ LYS A 119 -3.874 -11.353 12.924 1.00 0.00 N ATOM 0 H LYS A 119 -2.520 -7.249 11.266 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.471 -9.908 11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.429 -8.339 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.109 -10.049 9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.761 -8.661 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.434 -9.633 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.219 -11.392 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.672 -11.357 10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.022 -9.394 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.352 -10.451 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.961 -10.881 13.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.493 -12.188 12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.888 -11.649 12.778 1.00 0.00 H new ATOM 1754 N GLY A 120 0.490 -7.383 11.109 1.00 0.00 N ATOM 1755 CA GLY A 120 1.851 -6.889 11.233 1.00 0.00 C ATOM 1756 C GLY A 120 1.950 -5.433 10.775 1.00 0.00 C ATOM 1757 O GLY A 120 1.096 -4.614 11.109 1.00 0.00 O ATOM 0 H GLY A 120 -0.156 -6.742 10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.178 -6.971 12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.522 -7.508 10.637 1.00 0.00 H new ATOM 1761 N GLU A 121 3.000 -5.154 10.016 1.00 0.00 N ATOM 1762 CA GLU A 121 3.222 -3.811 9.509 1.00 0.00 C ATOM 1763 C GLU A 121 3.700 -3.864 8.057 1.00 0.00 C ATOM 1764 O GLU A 121 4.313 -4.845 7.637 1.00 0.00 O ATOM 1765 CB GLU A 121 4.218 -3.050 10.387 1.00 0.00 C ATOM 1766 CG GLU A 121 5.487 -3.874 10.616 1.00 0.00 C ATOM 1767 CD GLU A 121 6.238 -3.389 11.857 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.576 -3.270 12.911 1.00 0.00 O ATOM 1769 OE2 GLU A 121 7.458 -3.149 11.725 1.00 0.00 O ATOM 0 H GLU A 121 3.707 -5.836 9.740 1.00 0.00 H new ATOM 0 HA GLU A 121 2.275 -3.271 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.476 -2.102 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.756 -2.813 11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.226 -4.926 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.135 -3.801 9.743 1.00 0.00 H new ATOM 1776 N ILE A 122 3.403 -2.798 7.329 1.00 0.00 N ATOM 1777 CA ILE A 122 3.795 -2.711 5.933 1.00 0.00 C ATOM 1778 C ILE A 122 4.587 -1.421 5.710 1.00 0.00 C ATOM 1779 O ILE A 122 4.086 -0.328 5.966 1.00 0.00 O ATOM 1780 CB ILE A 122 2.572 -2.846 5.023 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.990 -2.965 3.556 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.591 -1.693 5.248 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.768 -2.963 2.636 1.00 0.00 C ATOM 0 H ILE A 122 2.895 -1.986 7.680 1.00 0.00 H new ATOM 0 HA ILE A 122 4.452 -3.540 5.670 1.00 0.00 H new ATOM 0 HB ILE A 122 2.052 -3.767 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.649 -2.137 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.558 -3.883 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.731 -1.813 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 122 1.257 -1.697 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 122 2.086 -0.747 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.093 -3.049 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.124 -3.806 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.215 -2.033 2.767 1.00 0.00 H new ATOM 1795 N TRP A 123 5.812 -1.592 5.234 1.00 0.00 N ATOM 1796 CA TRP A 123 6.679 -0.456 4.973 1.00 0.00 C ATOM 1797 C TRP A 123 6.399 0.036 3.552 1.00 0.00 C ATOM 1798 O TRP A 123 6.538 -0.720 2.591 1.00 0.00 O ATOM 1799 CB TRP A 123 8.147 -0.822 5.201 1.00 0.00 C ATOM 1800 CG TRP A 123 8.541 -0.926 6.676 1.00 0.00 C ATOM 1801 CD1 TRP A 123 8.249 -1.907 7.541 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.315 0.032 7.429 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.777 -1.653 8.790 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.446 -0.437 8.720 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.886 1.254 7.031 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 10.144 0.253 9.719 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.580 1.931 8.041 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.721 1.472 9.346 1.00 0.00 C ATOM 0 H TRP A 123 6.224 -2.501 5.022 1.00 0.00 H new ATOM 0 HA TRP A 123 6.471 0.356 5.670 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.353 -1.774 4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.776 -0.074 4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.673 -2.786 7.292 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.692 -2.249 9.614 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.796 1.640 6.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.232 -0.135 10.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.038 2.876 7.789 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.274 2.054 10.069 1.00 0.00 H new ATOM 1819 N VAL A 124 6.011 1.300 3.463 1.00 0.00 N ATOM 1820 CA VAL A 124 5.711 1.901 2.174 1.00 0.00 C ATOM 1821 C VAL A 124 5.955 3.410 2.252 1.00 0.00 C ATOM 1822 O VAL A 124 5.732 4.026 3.293 1.00 0.00 O ATOM 1823 CB VAL A 124 4.284 1.547 1.751 1.00 0.00 C ATOM 1824 CG1 VAL A 124 4.005 2.010 0.320 1.00 0.00 C ATOM 1825 CG2 VAL A 124 4.024 0.047 1.903 1.00 0.00 C ATOM 0 H VAL A 124 5.898 1.924 4.262 1.00 0.00 H new ATOM 0 HA VAL A 124 6.372 1.504 1.403 1.00 0.00 H new ATOM 0 HB VAL A 124 3.598 2.075 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.984 1.746 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.130 3.091 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.702 1.524 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.003 -0.178 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.722 -0.509 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.162 -0.242 2.945 1.00 0.00 H new ATOM 1835 N ALA A 125 6.409 3.961 1.136 1.00 0.00 N ATOM 1836 CA ALA A 125 6.685 5.386 1.064 1.00 0.00 C ATOM 1837 C ALA A 125 5.677 6.050 0.124 1.00 0.00 C ATOM 1838 O ALA A 125 5.196 5.424 -0.819 1.00 0.00 O ATOM 1839 CB ALA A 125 8.131 5.604 0.615 1.00 0.00 C ATOM 0 H ALA A 125 6.593 3.447 0.274 1.00 0.00 H new ATOM 0 HA ALA A 125 6.575 5.848 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.338 6.673 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.808 5.139 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.278 5.156 -0.368 1.00 0.00 H new ATOM 1845 N LEU A 126 5.386 7.310 0.415 1.00 0.00 N ATOM 1846 CA LEU A 126 4.443 8.065 -0.393 1.00 0.00 C ATOM 1847 C LEU A 126 5.105 9.362 -0.862 1.00 0.00 C ATOM 1848 O LEU A 126 5.866 9.979 -0.119 1.00 0.00 O ATOM 1849 CB LEU A 126 3.137 8.284 0.373 1.00 0.00 C ATOM 1850 CG LEU A 126 2.409 7.020 0.833 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.433 7.332 1.969 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.718 6.326 -0.342 1.00 0.00 C ATOM 0 H LEU A 126 5.786 7.826 1.198 1.00 0.00 H new ATOM 0 HA LEU A 126 4.171 7.503 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.351 8.895 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.460 8.859 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 126 3.150 6.324 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.929 6.416 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.980 7.747 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.694 8.055 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.208 5.430 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.991 7.004 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.462 6.048 -1.089 1.00 0.00 H new ATOM 1864 N SER A 127 4.792 9.737 -2.094 1.00 0.00 N ATOM 1865 CA SER A 127 5.347 10.949 -2.672 1.00 0.00 C ATOM 1866 C SER A 127 4.361 11.549 -3.676 1.00 0.00 C ATOM 1867 O SER A 127 4.358 11.174 -4.848 1.00 0.00 O ATOM 1868 CB SER A 127 6.691 10.671 -3.348 1.00 0.00 C ATOM 1869 OG SER A 127 7.783 11.208 -2.607 1.00 0.00 O ATOM 0 H SER A 127 4.161 9.222 -2.708 1.00 0.00 H new ATOM 0 HA SER A 127 5.517 11.665 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.824 9.595 -3.461 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.688 11.099 -4.350 1.00 0.00 H new ATOM 0 HG SER A 127 8.623 11.008 -3.071 1.00 0.00 H new ATOM 1875 N PHE A 128 3.549 12.471 -3.180 1.00 0.00 N ATOM 1876 CA PHE A 128 2.560 13.126 -4.020 1.00 0.00 C ATOM 1877 C PHE A 128 3.214 14.180 -4.916 1.00 0.00 C ATOM 1878 O PHE A 128 4.308 14.659 -4.620 1.00 0.00 O ATOM 1879 CB PHE A 128 1.566 13.816 -3.084 1.00 0.00 C ATOM 1880 CG PHE A 128 0.367 14.441 -3.801 1.00 0.00 C ATOM 1881 CD1 PHE A 128 -0.231 13.780 -4.828 1.00 0.00 C ATOM 1882 CD2 PHE A 128 -0.099 15.658 -3.412 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -1.343 14.361 -5.494 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -1.211 16.238 -4.077 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.810 15.577 -5.105 1.00 0.00 C ATOM 0 H PHE A 128 3.555 12.780 -2.208 1.00 0.00 H new ATOM 0 HA PHE A 128 2.073 12.393 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.203 13.090 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.088 14.593 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.139 12.814 -5.137 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.377 16.183 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.818 13.836 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.582 17.204 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 128 -2.656 16.018 -5.611 1.00 0.00 H new ATOM 1895 N LYS A 129 2.517 14.511 -5.992 1.00 0.00 N ATOM 1896 CA LYS A 129 3.016 15.499 -6.933 1.00 0.00 C ATOM 1897 C LYS A 129 1.834 16.234 -7.569 1.00 0.00 C ATOM 1898 O LYS A 129 1.323 15.815 -8.606 1.00 0.00 O ATOM 1899 CB LYS A 129 3.952 14.845 -7.951 1.00 0.00 C ATOM 1900 CG LYS A 129 5.380 14.759 -7.407 1.00 0.00 C ATOM 1901 CD LYS A 129 6.307 14.068 -8.408 1.00 0.00 C ATOM 1902 CE LYS A 129 7.775 14.346 -8.077 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.439 15.036 -9.205 1.00 0.00 N ATOM 0 H LYS A 129 1.610 14.112 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 129 3.617 16.247 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.590 13.846 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.946 15.419 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 129 5.752 15.761 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.382 14.210 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.125 12.993 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.085 14.418 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.841 14.959 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.289 13.409 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.434 15.217 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.392 14.437 -10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.958 15.939 -9.391 1.00 0.00 H new ATOM 1917 N PRO A 130 1.424 17.347 -6.903 1.00 0.00 N ATOM 1918 CA PRO A 130 0.312 18.145 -7.391 1.00 0.00 C ATOM 1919 C PRO A 130 0.728 18.981 -8.603 1.00 0.00 C ATOM 1920 O PRO A 130 1.851 19.481 -8.661 1.00 0.00 O ATOM 1921 CB PRO A 130 -0.116 18.991 -6.204 1.00 0.00 C ATOM 1922 CG PRO A 130 1.057 18.979 -5.238 1.00 0.00 C ATOM 1923 CD PRO A 130 2.006 17.873 -5.671 1.00 0.00 C ATOM 0 HA PRO A 130 -0.518 17.536 -7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -0.355 20.008 -6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -1.011 18.582 -5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 130 1.566 19.943 -5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 130 0.711 18.808 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 130 3.012 18.258 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 130 2.086 17.098 -4.908 1.00 0.00 H new ATOM 1931 N SER A 131 -0.199 19.108 -9.540 1.00 0.00 N ATOM 1932 CA SER A 131 0.057 19.876 -10.747 1.00 0.00 C ATOM 1933 C SER A 131 0.252 21.352 -10.397 1.00 0.00 C ATOM 1934 O SER A 131 -0.697 22.134 -10.439 1.00 0.00 O ATOM 1935 CB SER A 131 -1.083 19.715 -11.755 1.00 0.00 C ATOM 1936 OG SER A 131 -0.780 20.326 -13.006 1.00 0.00 O ATOM 0 H SER A 131 -1.129 18.692 -9.488 1.00 0.00 H new ATOM 0 HA SER A 131 0.969 19.495 -11.207 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.284 18.655 -11.909 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.993 20.156 -11.347 1.00 0.00 H new ATOM 0 HG SER A 131 -1.532 20.200 -13.622 1.00 0.00 H new ATOM 1942 N GLY A 132 1.488 21.689 -10.059 1.00 0.00 N ATOM 1943 CA GLY A 132 1.819 23.058 -9.702 1.00 0.00 C ATOM 1944 C GLY A 132 1.958 23.932 -10.950 1.00 0.00 C ATOM 1945 O GLY A 132 1.365 23.639 -11.987 1.00 0.00 O ATOM 0 H GLY A 132 2.272 21.038 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.044 23.466 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.751 23.075 -9.136 1.00 0.00 H new ATOM 1949 N PRO A 133 2.765 25.017 -10.805 1.00 0.00 N ATOM 1950 CA PRO A 133 2.989 25.936 -11.908 1.00 0.00 C ATOM 1951 C PRO A 133 3.935 25.327 -12.945 1.00 0.00 C ATOM 1952 O PRO A 133 3.717 25.468 -14.148 1.00 0.00 O ATOM 1953 CB PRO A 133 3.546 27.195 -11.264 1.00 0.00 C ATOM 1954 CG PRO A 133 4.047 26.775 -9.892 1.00 0.00 C ATOM 1955 CD PRO A 133 3.484 25.396 -9.592 1.00 0.00 C ATOM 0 HA PRO A 133 2.077 26.158 -12.462 1.00 0.00 H new ATOM 0 HB2 PRO A 133 4.354 27.615 -11.863 1.00 0.00 H new ATOM 0 HB3 PRO A 133 2.778 27.964 -11.181 1.00 0.00 H new ATOM 0 HG2 PRO A 133 5.137 26.755 -9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 133 3.729 27.490 -9.134 1.00 0.00 H new ATOM 0 HD2 PRO A 133 4.278 24.685 -9.364 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.819 25.419 -8.728 1.00 0.00 H new ATOM 1963 N SER A 134 4.965 24.663 -12.442 1.00 0.00 N ATOM 1964 CA SER A 134 5.945 24.032 -13.310 1.00 0.00 C ATOM 1965 C SER A 134 6.269 22.627 -12.799 1.00 0.00 C ATOM 1966 O SER A 134 6.470 22.429 -11.602 1.00 0.00 O ATOM 1967 CB SER A 134 7.221 24.871 -13.402 1.00 0.00 C ATOM 1968 OG SER A 134 7.583 25.147 -14.752 1.00 0.00 O ATOM 0 H SER A 134 5.142 24.548 -11.444 1.00 0.00 H new ATOM 0 HA SER A 134 5.518 23.958 -14.310 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.077 25.809 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.038 24.344 -12.908 1.00 0.00 H new ATOM 0 HG SER A 134 8.401 25.686 -14.768 1.00 0.00 H new ATOM 1974 N SER A 135 6.310 21.687 -13.732 1.00 0.00 N ATOM 1975 CA SER A 135 6.606 20.306 -13.391 1.00 0.00 C ATOM 1976 C SER A 135 7.727 19.775 -14.286 1.00 0.00 C ATOM 1977 O SER A 135 7.464 19.204 -15.344 1.00 0.00 O ATOM 1978 CB SER A 135 5.361 19.427 -13.521 1.00 0.00 C ATOM 1979 OG SER A 135 4.975 18.859 -12.273 1.00 0.00 O ATOM 0 H SER A 135 6.143 21.855 -14.724 1.00 0.00 H new ATOM 0 HA SER A 135 6.933 20.273 -12.352 1.00 0.00 H new ATOM 0 HB2 SER A 135 4.538 20.021 -13.919 1.00 0.00 H new ATOM 0 HB3 SER A 135 5.554 18.629 -14.238 1.00 0.00 H new ATOM 0 HG SER A 135 4.175 18.306 -12.398 1.00 0.00 H new ATOM 1985 N GLY A 136 8.954 19.981 -13.830 1.00 0.00 N ATOM 1986 CA GLY A 136 10.116 19.530 -14.576 1.00 0.00 C ATOM 1987 C GLY A 136 10.953 20.717 -15.058 1.00 0.00 C ATOM 1988 O GLY A 136 11.461 20.708 -16.179 1.00 0.00 O ATOM 0 H GLY A 136 9.168 20.455 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.726 18.881 -13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 136 9.795 18.935 -15.431 1.00 0.00 H new TER 1992 GLY A 136