USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HD1:sc= 0.758 K(o=0.081,f=-6.5!) USER MOD Set 1.2: A 86 THR OG1 : rot -89:sc= -0.677 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 52 SER OG : rot 7:sc= 1.03 USER MOD Set 3.2: A 67 TYR OH : rot 155:sc= 1.27 USER MOD Single : A 4 THR OG1 : rot 24:sc= 0.599 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 83:sc= 0.985 USER MOD Single : A 11 SER OG : rot -84:sc= 0.103 USER MOD Single : A 13 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.11) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.11 (180deg=-0.693) USER MOD Single : A 21 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.4) USER MOD Single : A 24 ASN : amide:sc= -0.617 K(o=-0.62,f=-2.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.24) USER MOD Single : A 33 SER OG : rot -92:sc= 0.343 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=-0.019) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -21:sc= 1.01 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 46:sc= -0.45! USER MOD Single : A 83 ASN : amide:sc= -3.05! C(o=-3!,f=-6.1!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= -0.193! (180deg=-0.932!) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.004 -4.538 -4.492 1.00 0.00 N ATOM 37 CA ARG A 3 -16.008 -4.135 -5.483 1.00 0.00 C ATOM 38 C ARG A 3 -14.620 -4.592 -5.061 1.00 0.00 C ATOM 39 O ARG A 3 -14.238 -4.444 -3.900 1.00 0.00 O ATOM 40 CB ARG A 3 -16.045 -2.614 -5.702 1.00 0.00 C ATOM 41 CG ARG A 3 -14.775 -2.028 -6.336 1.00 0.00 C ATOM 42 CD ARG A 3 -15.048 -0.699 -7.041 1.00 0.00 C ATOM 43 NE ARG A 3 -15.750 0.259 -6.179 1.00 0.00 N ATOM 44 CZ ARG A 3 -15.489 1.570 -6.150 1.00 0.00 C ATOM 45 NH1 ARG A 3 -14.515 2.077 -6.898 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.202 2.375 -5.371 1.00 0.00 N ATOM 0 HA ARG A 3 -16.249 -4.617 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.897 -2.372 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.214 -2.126 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.019 -1.881 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.365 -2.741 -7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.104 -0.264 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.643 -0.881 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.482 -0.097 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.962 1.465 -7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.320 3.078 -6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.951 1.994 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.001 3.375 -5.351 1.00 0.00 H new ATOM 60 N THR A 4 -13.890 -5.168 -6.010 1.00 0.00 N ATOM 61 CA THR A 4 -12.547 -5.670 -5.756 1.00 0.00 C ATOM 62 C THR A 4 -11.560 -4.519 -5.573 1.00 0.00 C ATOM 63 O THR A 4 -11.361 -3.722 -6.493 1.00 0.00 O ATOM 64 CB THR A 4 -12.054 -6.568 -6.913 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.979 -5.810 -8.129 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.975 -7.758 -7.123 1.00 0.00 C ATOM 0 H THR A 4 -14.210 -5.299 -6.969 1.00 0.00 H new ATOM 0 HA THR A 4 -12.596 -6.260 -4.841 1.00 0.00 H new ATOM 0 HB THR A 4 -11.064 -6.938 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.876 -4.859 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.599 -8.369 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.010 -8.356 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.978 -7.404 -7.364 1.00 0.00 H new ATOM 74 N PRO A 5 -10.942 -4.402 -4.386 1.00 0.00 N ATOM 75 CA PRO A 5 -9.931 -3.387 -4.146 1.00 0.00 C ATOM 76 C PRO A 5 -8.651 -3.715 -4.892 1.00 0.00 C ATOM 77 O PRO A 5 -8.081 -4.798 -4.735 1.00 0.00 O ATOM 78 CB PRO A 5 -9.705 -3.408 -2.628 1.00 0.00 C ATOM 79 CG PRO A 5 -10.716 -4.357 -2.067 1.00 0.00 C ATOM 80 CD PRO A 5 -11.178 -5.228 -3.203 1.00 0.00 C ATOM 0 HA PRO A 5 -10.243 -2.404 -4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.692 -3.733 -2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.828 -2.412 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.279 -4.960 -1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.555 -3.814 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.617 -6.161 -3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.230 -5.494 -3.103 1.00 0.00 H new ATOM 88 N LYS A 6 -8.206 -2.780 -5.705 1.00 0.00 N ATOM 89 CA LYS A 6 -7.084 -3.017 -6.588 1.00 0.00 C ATOM 90 C LYS A 6 -5.826 -2.395 -6.003 1.00 0.00 C ATOM 91 O LYS A 6 -5.900 -1.401 -5.275 1.00 0.00 O ATOM 92 CB LYS A 6 -7.406 -2.433 -7.965 1.00 0.00 C ATOM 93 CG LYS A 6 -6.611 -3.036 -9.105 1.00 0.00 C ATOM 94 CD LYS A 6 -7.104 -2.511 -10.441 1.00 0.00 C ATOM 95 CE LYS A 6 -6.424 -3.205 -11.606 1.00 0.00 C ATOM 96 NZ LYS A 6 -6.965 -2.744 -12.912 1.00 0.00 N ATOM 0 H LYS A 6 -8.607 -1.844 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.907 -4.087 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.468 -2.573 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.225 -1.358 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.554 -2.799 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.698 -4.122 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.182 -2.654 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.920 -1.438 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.352 -3.013 -11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.559 -4.283 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.476 -3.240 -13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.983 -2.950 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.814 -1.720 -13.008 1.00 0.00 H new ATOM 110 N ILE A 7 -4.676 -2.979 -6.316 1.00 0.00 N ATOM 111 CA ILE A 7 -3.437 -2.616 -5.645 1.00 0.00 C ATOM 112 C ILE A 7 -2.673 -1.547 -6.409 1.00 0.00 C ATOM 113 O ILE A 7 -2.446 -1.665 -7.614 1.00 0.00 O ATOM 114 CB ILE A 7 -2.508 -3.836 -5.465 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.311 -5.066 -5.037 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.423 -3.527 -4.441 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.156 -4.842 -3.810 1.00 0.00 C ATOM 0 H ILE A 7 -4.577 -3.703 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.728 -2.228 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.033 -4.053 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.956 -5.372 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.623 -5.890 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.775 -4.396 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.832 -2.677 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.884 -3.287 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.696 -5.758 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.515 -4.566 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.869 -4.040 -4.001 1.00 0.00 H new ATOM 129 N GLN A 8 -2.287 -0.502 -5.699 1.00 0.00 N ATOM 130 CA GLN A 8 -1.419 0.520 -6.247 1.00 0.00 C ATOM 131 C GLN A 8 -0.341 0.867 -5.228 1.00 0.00 C ATOM 132 O GLN A 8 -0.640 1.328 -4.130 1.00 0.00 O ATOM 133 CB GLN A 8 -2.234 1.763 -6.609 1.00 0.00 C ATOM 134 CG GLN A 8 -3.146 1.569 -7.807 1.00 0.00 C ATOM 135 CD GLN A 8 -4.151 2.690 -7.952 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.259 2.619 -7.420 1.00 0.00 O ATOM 137 NE2 GLN A 8 -3.774 3.736 -8.665 1.00 0.00 N ATOM 0 H GLN A 8 -2.566 -0.340 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.944 0.145 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.836 2.054 -5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.551 2.587 -6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.543 1.505 -8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.675 0.621 -7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.847 3.756 -9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.410 4.523 -8.791 1.00 0.00 H new ATOM 146 N VAL A 9 0.907 0.629 -5.587 1.00 0.00 N ATOM 147 CA VAL A 9 2.025 0.901 -4.695 1.00 0.00 C ATOM 148 C VAL A 9 3.186 1.521 -5.464 1.00 0.00 C ATOM 149 O VAL A 9 3.624 0.996 -6.492 1.00 0.00 O ATOM 150 CB VAL A 9 2.480 -0.372 -3.921 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.455 -1.606 -4.808 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.868 -0.182 -3.316 1.00 0.00 C ATOM 0 H VAL A 9 1.175 0.246 -6.494 1.00 0.00 H new ATOM 0 HA VAL A 9 1.682 1.619 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 9 1.768 -0.526 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.779 -2.474 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.442 -1.771 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.127 -1.460 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.159 -1.087 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.587 0.018 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.851 0.659 -2.623 1.00 0.00 H new ATOM 162 N TYR A 10 3.661 2.652 -4.962 1.00 0.00 N ATOM 163 CA TYR A 10 4.700 3.422 -5.621 1.00 0.00 C ATOM 164 C TYR A 10 5.390 4.345 -4.622 1.00 0.00 C ATOM 165 O TYR A 10 4.918 4.528 -3.498 1.00 0.00 O ATOM 166 CB TYR A 10 4.102 4.230 -6.787 1.00 0.00 C ATOM 167 CG TYR A 10 2.926 5.107 -6.410 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.621 4.658 -6.580 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.118 6.384 -5.897 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.544 5.456 -6.250 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.043 7.185 -5.562 1.00 0.00 C ATOM 172 CZ TYR A 10 0.759 6.716 -5.742 1.00 0.00 C ATOM 173 OH TYR A 10 -0.314 7.514 -5.420 1.00 0.00 O ATOM 0 H TYR A 10 3.335 3.060 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 10 5.446 2.736 -6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.884 4.858 -7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.786 3.537 -7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.447 3.669 -6.977 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.122 6.756 -5.758 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.463 5.092 -6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.208 8.174 -5.161 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.640 7.279 -4.526 1.00 0.00 H new ATOM 183 N SER A 11 6.522 4.898 -5.026 1.00 0.00 N ATOM 184 CA SER A 11 7.303 5.788 -4.179 1.00 0.00 C ATOM 185 C SER A 11 6.724 7.207 -4.192 1.00 0.00 C ATOM 186 O SER A 11 6.441 7.762 -5.255 1.00 0.00 O ATOM 187 CB SER A 11 8.753 5.785 -4.692 1.00 0.00 C ATOM 188 OG SER A 11 8.805 5.391 -6.057 1.00 0.00 O ATOM 0 H SER A 11 6.926 4.743 -5.950 1.00 0.00 H new ATOM 0 HA SER A 11 7.271 5.439 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.185 6.779 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.355 5.105 -4.089 1.00 0.00 H new ATOM 0 HG SER A 11 8.812 4.413 -6.115 1.00 0.00 H new ATOM 194 N ARG A 12 6.558 7.788 -2.993 1.00 0.00 N ATOM 195 CA ARG A 12 5.954 9.122 -2.855 1.00 0.00 C ATOM 196 C ARG A 12 6.852 10.172 -3.508 1.00 0.00 C ATOM 197 O ARG A 12 6.382 11.060 -4.215 1.00 0.00 O ATOM 198 CB ARG A 12 5.730 9.434 -1.355 1.00 0.00 C ATOM 199 CG ARG A 12 4.841 10.640 -1.025 1.00 0.00 C ATOM 200 CD ARG A 12 5.542 11.960 -1.285 1.00 0.00 C ATOM 201 NE ARG A 12 6.774 12.088 -0.505 1.00 0.00 N ATOM 202 CZ ARG A 12 6.919 12.924 0.523 1.00 0.00 C ATOM 203 NH1 ARG A 12 5.890 13.648 0.946 1.00 0.00 N ATOM 204 NH2 ARG A 12 8.096 13.023 1.135 1.00 0.00 N ATOM 0 H ARG A 12 6.832 7.357 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 12 4.989 9.143 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.294 8.552 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.704 9.593 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.930 10.591 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.540 10.591 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.774 12.044 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.870 12.782 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 12 7.569 11.503 -0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.984 13.566 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.005 14.287 1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.885 12.460 0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.210 13.662 1.922 1.00 0.00 H new ATOM 218 N HIS A 13 8.137 10.063 -3.244 1.00 0.00 N ATOM 219 CA HIS A 13 9.138 10.887 -3.907 1.00 0.00 C ATOM 220 C HIS A 13 10.137 9.973 -4.628 1.00 0.00 C ATOM 221 O HIS A 13 9.998 8.750 -4.522 1.00 0.00 O ATOM 222 CB HIS A 13 9.833 11.807 -2.894 1.00 0.00 C ATOM 223 CG HIS A 13 9.103 13.097 -2.648 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.464 13.937 -1.623 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.053 13.646 -3.318 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.637 14.967 -1.689 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.768 14.834 -2.696 1.00 0.00 N ATOM 0 H HIS A 13 8.521 9.404 -2.567 1.00 0.00 H new ATOM 0 HA HIS A 13 8.661 11.531 -4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.941 11.275 -1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.838 12.031 -3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.544 13.227 -4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.661 15.810 -1.014 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.032 15.492 -2.953 1.00 0.00 H new ATOM 235 N PRO A 14 11.139 10.511 -5.376 1.00 0.00 N ATOM 236 CA PRO A 14 12.087 9.675 -6.127 1.00 0.00 C ATOM 237 C PRO A 14 12.734 8.592 -5.265 1.00 0.00 C ATOM 238 O PRO A 14 13.166 8.845 -4.140 1.00 0.00 O ATOM 239 CB PRO A 14 13.160 10.659 -6.629 1.00 0.00 C ATOM 240 CG PRO A 14 12.899 11.958 -5.910 1.00 0.00 C ATOM 241 CD PRO A 14 11.431 11.946 -5.561 1.00 0.00 C ATOM 0 HA PRO A 14 11.578 9.141 -6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.162 10.288 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.095 10.790 -7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.514 12.039 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.144 12.811 -6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.228 12.518 -4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.825 12.381 -6.356 1.00 0.00 H new ATOM 249 N ALA A 15 12.774 7.381 -5.798 1.00 0.00 N ATOM 250 CA ALA A 15 13.403 6.269 -5.117 1.00 0.00 C ATOM 251 C ALA A 15 14.916 6.395 -5.177 1.00 0.00 C ATOM 252 O ALA A 15 15.510 6.296 -6.253 1.00 0.00 O ATOM 253 CB ALA A 15 12.975 4.957 -5.744 1.00 0.00 C ATOM 0 H ALA A 15 12.374 7.146 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 15 13.088 6.285 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.456 4.130 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.893 4.854 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.268 4.943 -6.794 1.00 0.00 H new ATOM 259 N GLU A 16 15.538 6.635 -4.037 1.00 0.00 N ATOM 260 CA GLU A 16 16.981 6.697 -3.975 1.00 0.00 C ATOM 261 C GLU A 16 17.509 5.662 -2.989 1.00 0.00 C ATOM 262 O GLU A 16 17.096 5.623 -1.828 1.00 0.00 O ATOM 263 CB GLU A 16 17.441 8.101 -3.591 1.00 0.00 C ATOM 264 CG GLU A 16 18.937 8.293 -3.746 1.00 0.00 C ATOM 265 CD GLU A 16 19.424 7.937 -5.134 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.761 6.759 -5.367 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.475 8.833 -6.000 1.00 0.00 O ATOM 0 H GLU A 16 15.066 6.789 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 16 17.385 6.469 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.920 8.831 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.159 8.301 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.192 9.331 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.457 7.677 -3.012 1.00 0.00 H new ATOM 274 N ASN A 17 18.413 4.824 -3.466 1.00 0.00 N ATOM 275 CA ASN A 17 18.934 3.726 -2.661 1.00 0.00 C ATOM 276 C ASN A 17 20.025 4.240 -1.732 1.00 0.00 C ATOM 277 O ASN A 17 20.930 4.968 -2.151 1.00 0.00 O ATOM 278 CB ASN A 17 19.494 2.556 -3.508 1.00 0.00 C ATOM 279 CG ASN A 17 18.491 1.830 -4.411 1.00 0.00 C ATOM 280 OD1 ASN A 17 17.277 1.923 -4.227 1.00 0.00 O ATOM 281 ND2 ASN A 17 19.025 1.046 -5.364 1.00 0.00 N ATOM 0 H ASN A 17 18.803 4.881 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 17 18.092 3.334 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 17 20.300 2.941 -4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.936 1.825 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 17 18.418 0.496 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.037 1.001 -5.479 1.00 0.00 H new ATOM 288 N GLY A 18 19.920 3.871 -0.467 1.00 0.00 N ATOM 289 CA GLY A 18 20.850 4.349 0.533 1.00 0.00 C ATOM 290 C GLY A 18 20.429 5.708 1.029 1.00 0.00 C ATOM 291 O GLY A 18 21.237 6.480 1.553 1.00 0.00 O ATOM 0 H GLY A 18 19.200 3.242 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.892 3.647 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.853 4.403 0.111 1.00 0.00 H new ATOM 295 N LYS A 19 19.150 5.995 0.849 1.00 0.00 N ATOM 296 CA LYS A 19 18.590 7.292 1.158 1.00 0.00 C ATOM 297 C LYS A 19 17.200 7.132 1.744 1.00 0.00 C ATOM 298 O LYS A 19 16.491 6.173 1.439 1.00 0.00 O ATOM 299 CB LYS A 19 18.537 8.109 -0.126 1.00 0.00 C ATOM 300 CG LYS A 19 18.218 9.582 0.069 1.00 0.00 C ATOM 301 CD LYS A 19 19.235 10.288 0.934 1.00 0.00 C ATOM 302 CE LYS A 19 19.158 11.805 0.774 1.00 0.00 C ATOM 303 NZ LYS A 19 19.447 12.235 -0.622 1.00 0.00 N ATOM 0 H LYS A 19 18.471 5.328 0.482 1.00 0.00 H new ATOM 0 HA LYS A 19 19.209 7.804 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.498 8.024 -0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.787 7.674 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.172 10.072 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.231 9.679 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.070 10.024 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.236 9.945 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.165 12.150 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.868 12.277 1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.783 13.219 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.180 11.620 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.580 12.166 -1.193 1.00 0.00 H new ATOM 317 N SER A 20 16.829 8.060 2.601 1.00 0.00 N ATOM 318 CA SER A 20 15.532 8.032 3.243 1.00 0.00 C ATOM 319 C SER A 20 14.439 8.504 2.291 1.00 0.00 C ATOM 320 O SER A 20 14.612 9.481 1.558 1.00 0.00 O ATOM 321 CB SER A 20 15.558 8.901 4.489 1.00 0.00 C ATOM 322 OG SER A 20 16.461 8.383 5.454 1.00 0.00 O ATOM 0 H SER A 20 17.414 8.851 2.871 1.00 0.00 H new ATOM 0 HA SER A 20 15.308 7.003 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.850 9.917 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.557 8.959 4.917 1.00 0.00 H new ATOM 0 HG SER A 20 16.461 8.961 6.246 1.00 0.00 H new ATOM 328 N ASN A 21 13.318 7.807 2.319 1.00 0.00 N ATOM 329 CA ASN A 21 12.200 8.100 1.434 1.00 0.00 C ATOM 330 C ASN A 21 10.893 7.703 2.118 1.00 0.00 C ATOM 331 O ASN A 21 10.909 7.167 3.226 1.00 0.00 O ATOM 332 CB ASN A 21 12.356 7.310 0.120 1.00 0.00 C ATOM 333 CG ASN A 21 11.378 7.755 -0.954 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.116 8.945 -1.119 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.761 6.794 -1.625 1.00 0.00 N ATOM 0 H ASN A 21 13.155 7.024 2.952 1.00 0.00 H new ATOM 0 HA ASN A 21 12.185 9.167 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.374 7.428 -0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.211 6.248 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.040 7.030 -2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.007 5.818 -1.460 1.00 0.00 H new ATOM 342 N PHE A 22 9.769 7.955 1.458 1.00 0.00 N ATOM 343 CA PHE A 22 8.468 7.588 1.988 1.00 0.00 C ATOM 344 C PHE A 22 7.765 6.666 1.000 1.00 0.00 C ATOM 345 O PHE A 22 7.657 6.986 -0.188 1.00 0.00 O ATOM 346 CB PHE A 22 7.604 8.833 2.235 1.00 0.00 C ATOM 347 CG PHE A 22 8.040 9.699 3.390 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.304 10.265 3.427 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.164 9.963 4.433 1.00 0.00 C ATOM 350 CE1 PHE A 22 9.690 11.071 4.483 1.00 0.00 C ATOM 351 CE2 PHE A 22 7.544 10.768 5.490 1.00 0.00 C ATOM 352 CZ PHE A 22 8.809 11.322 5.515 1.00 0.00 C ATOM 0 H PHE A 22 9.736 8.416 0.548 1.00 0.00 H new ATOM 0 HA PHE A 22 8.611 7.076 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.601 9.439 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.576 8.514 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.997 10.074 2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.173 9.534 4.419 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.680 11.503 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.852 10.964 6.296 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.108 11.951 6.341 1.00 0.00 H new ATOM 362 N LEU A 23 7.321 5.517 1.483 1.00 0.00 N ATOM 363 CA LEU A 23 6.576 4.576 0.652 1.00 0.00 C ATOM 364 C LEU A 23 5.114 4.960 0.685 1.00 0.00 C ATOM 365 O LEU A 23 4.645 5.501 1.675 1.00 0.00 O ATOM 366 CB LEU A 23 6.735 3.151 1.182 1.00 0.00 C ATOM 367 CG LEU A 23 6.999 2.028 0.152 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.979 0.675 0.853 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.992 2.027 -0.994 1.00 0.00 C ATOM 0 H LEU A 23 7.462 5.210 2.446 1.00 0.00 H new ATOM 0 HA LEU A 23 6.959 4.613 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.556 3.149 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.830 2.895 1.733 1.00 0.00 H new ATOM 0 HG LEU A 23 7.980 2.217 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.165 -0.115 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.753 0.651 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.004 0.519 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.228 1.218 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.988 1.883 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.040 2.980 -1.521 1.00 0.00 H new ATOM 381 N ASN A 24 4.409 4.676 -0.384 1.00 0.00 N ATOM 382 CA ASN A 24 2.983 4.968 -0.458 1.00 0.00 C ATOM 383 C ASN A 24 2.237 3.775 -1.040 1.00 0.00 C ATOM 384 O ASN A 24 2.564 3.298 -2.129 1.00 0.00 O ATOM 385 CB ASN A 24 2.706 6.221 -1.316 1.00 0.00 C ATOM 386 CG ASN A 24 2.782 7.529 -0.545 1.00 0.00 C ATOM 387 OD1 ASN A 24 3.531 7.671 0.416 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.995 8.507 -0.973 1.00 0.00 N ATOM 0 H ASN A 24 4.795 4.241 -1.222 1.00 0.00 H new ATOM 0 HA ASN A 24 2.630 5.164 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.423 6.253 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.715 6.131 -1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.001 9.411 -0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.384 8.356 -1.775 1.00 0.00 H new ATOM 395 N CYS A 25 1.241 3.291 -0.315 1.00 0.00 N ATOM 396 CA CYS A 25 0.430 2.182 -0.780 1.00 0.00 C ATOM 397 C CYS A 25 -1.028 2.619 -0.787 1.00 0.00 C ATOM 398 O CYS A 25 -1.572 3.024 0.244 1.00 0.00 O ATOM 399 CB CYS A 25 0.641 0.954 0.108 1.00 0.00 C ATOM 400 SG CYS A 25 0.144 -0.625 -0.659 1.00 0.00 S ATOM 0 H CYS A 25 0.976 3.652 0.601 1.00 0.00 H new ATOM 0 HA CYS A 25 0.724 1.901 -1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.694 0.895 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.079 1.088 1.032 1.00 0.00 H new ATOM 405 N TYR A 26 -1.641 2.556 -1.955 1.00 0.00 N ATOM 406 CA TYR A 26 -2.977 3.082 -2.163 1.00 0.00 C ATOM 407 C TYR A 26 -3.900 1.962 -2.596 1.00 0.00 C ATOM 408 O TYR A 26 -3.765 1.424 -3.695 1.00 0.00 O ATOM 409 CB TYR A 26 -2.973 4.168 -3.243 1.00 0.00 C ATOM 410 CG TYR A 26 -2.796 5.596 -2.756 1.00 0.00 C ATOM 411 CD1 TYR A 26 -1.538 6.186 -2.679 1.00 0.00 C ATOM 412 CD2 TYR A 26 -3.903 6.378 -2.436 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.392 7.507 -2.300 1.00 0.00 C ATOM 414 CE2 TYR A 26 -3.762 7.694 -2.048 1.00 0.00 C ATOM 415 CZ TYR A 26 -2.506 8.255 -1.985 1.00 0.00 C ATOM 416 OH TYR A 26 -2.363 9.573 -1.615 1.00 0.00 O ATOM 0 H TYR A 26 -1.225 2.138 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.324 3.517 -1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.174 3.945 -3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.912 4.107 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.662 5.602 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.891 5.946 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.409 7.951 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.632 8.281 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.245 9.958 -1.427 1.00 0.00 H new ATOM 426 N VAL A 27 -4.820 1.595 -1.733 1.00 0.00 N ATOM 427 CA VAL A 27 -5.787 0.574 -2.070 1.00 0.00 C ATOM 428 C VAL A 27 -7.174 1.193 -2.094 1.00 0.00 C ATOM 429 O VAL A 27 -7.617 1.780 -1.107 1.00 0.00 O ATOM 430 CB VAL A 27 -5.743 -0.604 -1.077 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.498 -1.797 -1.635 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.306 -0.988 -0.757 1.00 0.00 C ATOM 0 H VAL A 27 -4.919 1.986 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.541 0.175 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.226 -0.288 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.457 -2.620 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.538 -1.520 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.042 -2.109 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.300 -1.821 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.795 -1.283 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.792 -0.136 -0.313 1.00 0.00 H new ATOM 442 N SER A 28 -7.843 1.088 -3.230 1.00 0.00 N ATOM 443 CA SER A 28 -9.134 1.727 -3.407 1.00 0.00 C ATOM 444 C SER A 28 -10.071 0.843 -4.215 1.00 0.00 C ATOM 445 O SER A 28 -9.647 -0.170 -4.776 1.00 0.00 O ATOM 446 CB SER A 28 -8.952 3.080 -4.092 1.00 0.00 C ATOM 447 OG SER A 28 -8.185 2.951 -5.279 1.00 0.00 O ATOM 0 H SER A 28 -7.513 0.567 -4.042 1.00 0.00 H new ATOM 0 HA SER A 28 -9.583 1.882 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.927 3.505 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.459 3.773 -3.410 1.00 0.00 H new ATOM 0 HG SER A 28 -8.084 3.830 -5.700 1.00 0.00 H new ATOM 453 N GLY A 29 -11.337 1.242 -4.280 1.00 0.00 N ATOM 454 CA GLY A 29 -12.334 0.441 -4.946 1.00 0.00 C ATOM 455 C GLY A 29 -12.775 -0.697 -4.063 1.00 0.00 C ATOM 456 O GLY A 29 -12.216 -1.774 -4.124 1.00 0.00 O ATOM 0 H GLY A 29 -11.687 2.112 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.192 1.061 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.930 0.049 -5.879 1.00 0.00 H new ATOM 460 N PHE A 30 -13.828 -0.470 -3.286 1.00 0.00 N ATOM 461 CA PHE A 30 -14.161 -1.407 -2.210 1.00 0.00 C ATOM 462 C PHE A 30 -15.300 -0.864 -1.364 1.00 0.00 C ATOM 463 O PHE A 30 -15.756 0.261 -1.582 1.00 0.00 O ATOM 464 CB PHE A 30 -12.953 -1.819 -1.351 1.00 0.00 C ATOM 465 CG PHE A 30 -12.296 -0.751 -0.530 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.181 -0.091 -1.009 1.00 0.00 C ATOM 467 CD2 PHE A 30 -12.746 -0.462 0.747 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.524 0.835 -0.232 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.099 0.473 1.523 1.00 0.00 C ATOM 470 CZ PHE A 30 -10.984 1.115 1.035 1.00 0.00 C ATOM 0 H PHE A 30 -14.453 0.331 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.493 -2.327 -2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.274 -2.613 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.200 -2.247 -2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.821 -0.304 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.612 -0.975 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.650 1.341 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.466 0.702 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.469 1.840 1.647 1.00 0.00 H new ATOM 480 N HIS A 31 -15.752 -1.664 -0.406 1.00 0.00 N ATOM 481 CA HIS A 31 -16.771 -1.235 0.560 1.00 0.00 C ATOM 482 C HIS A 31 -16.519 -1.976 1.876 1.00 0.00 C ATOM 483 O HIS A 31 -15.743 -2.931 1.885 1.00 0.00 O ATOM 484 CB HIS A 31 -18.219 -1.521 0.075 1.00 0.00 C ATOM 485 CG HIS A 31 -18.528 -1.090 -1.331 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.137 0.112 -1.599 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.318 -1.747 -2.499 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.281 0.160 -2.912 1.00 0.00 C ATOM 489 NE2 HIS A 31 -18.801 -0.943 -3.500 1.00 0.00 N ATOM 0 H HIS A 31 -15.429 -2.622 -0.272 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.688 -0.155 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.406 -2.592 0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.915 -1.023 0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -17.859 -2.717 -2.618 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.730 0.986 -3.444 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -18.796 -1.146 -4.500 1.00 0.00 H new ATOM 497 N PRO A 32 -17.123 -1.564 3.014 1.00 0.00 N ATOM 498 CA PRO A 32 -17.916 -0.326 3.147 1.00 0.00 C ATOM 499 C PRO A 32 -17.076 0.939 2.951 1.00 0.00 C ATOM 500 O PRO A 32 -17.247 1.659 1.971 1.00 0.00 O ATOM 501 CB PRO A 32 -18.447 -0.387 4.585 1.00 0.00 C ATOM 502 CG PRO A 32 -18.318 -1.815 4.988 1.00 0.00 C ATOM 503 CD PRO A 32 -17.113 -2.335 4.265 1.00 0.00 C ATOM 0 HA PRO A 32 -18.696 -0.271 2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.872 0.262 5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.484 -0.055 4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.197 -1.907 6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.210 -2.380 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.198 -2.170 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.184 -3.407 4.080 1.00 0.00 H new ATOM 511 N SER A 33 -16.171 1.214 3.889 1.00 0.00 N ATOM 512 CA SER A 33 -15.278 2.358 3.802 1.00 0.00 C ATOM 513 C SER A 33 -13.947 1.995 4.450 1.00 0.00 C ATOM 514 O SER A 33 -13.147 2.860 4.807 1.00 0.00 O ATOM 515 CB SER A 33 -15.896 3.554 4.522 1.00 0.00 C ATOM 516 OG SER A 33 -17.060 3.999 3.848 1.00 0.00 O ATOM 0 H SER A 33 -16.040 0.648 4.728 1.00 0.00 H new ATOM 0 HA SER A 33 -15.119 2.622 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.146 3.278 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.170 4.365 4.579 1.00 0.00 H new ATOM 0 HG SER A 33 -16.818 4.694 3.201 1.00 0.00 H new ATOM 522 N ASP A 34 -13.731 0.690 4.591 1.00 0.00 N ATOM 523 CA ASP A 34 -12.605 0.179 5.368 1.00 0.00 C ATOM 524 C ASP A 34 -11.940 -1.003 4.677 1.00 0.00 C ATOM 525 O ASP A 34 -12.617 -1.905 4.181 1.00 0.00 O ATOM 526 CB ASP A 34 -13.063 -0.264 6.763 1.00 0.00 C ATOM 527 CG ASP A 34 -13.804 0.816 7.523 1.00 0.00 C ATOM 528 OD1 ASP A 34 -15.055 0.788 7.533 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.147 1.695 8.119 1.00 0.00 O ATOM 0 H ASP A 34 -14.320 -0.033 4.178 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.885 0.993 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.708 -1.137 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.193 -0.574 7.342 1.00 0.00 H new ATOM 534 N ILE A 35 -10.619 -0.988 4.653 1.00 0.00 N ATOM 535 CA ILE A 35 -9.833 -2.111 4.160 1.00 0.00 C ATOM 536 C ILE A 35 -8.520 -2.155 4.930 1.00 0.00 C ATOM 537 O ILE A 35 -8.076 -1.129 5.448 1.00 0.00 O ATOM 538 CB ILE A 35 -9.517 -2.001 2.643 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.130 -3.378 2.095 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.387 -1.009 2.400 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.269 -3.348 0.844 1.00 0.00 C ATOM 0 H ILE A 35 -10.059 -0.198 4.974 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.420 -3.018 4.308 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.407 -1.643 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.597 -3.926 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.041 -3.936 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.181 -0.947 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.679 -0.027 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.491 -1.343 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.046 -4.368 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.804 -2.832 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.338 -2.822 1.056 1.00 0.00 H new ATOM 553 N GLU A 36 -7.908 -3.324 5.034 1.00 0.00 N ATOM 554 CA GLU A 36 -6.590 -3.409 5.634 1.00 0.00 C ATOM 555 C GLU A 36 -5.573 -3.766 4.579 1.00 0.00 C ATOM 556 O GLU A 36 -5.803 -4.638 3.736 1.00 0.00 O ATOM 557 CB GLU A 36 -6.481 -4.452 6.744 1.00 0.00 C ATOM 558 CG GLU A 36 -7.672 -4.550 7.663 1.00 0.00 C ATOM 559 CD GLU A 36 -8.793 -5.390 7.093 1.00 0.00 C ATOM 560 OE1 GLU A 36 -8.582 -6.607 6.904 1.00 0.00 O ATOM 561 OE2 GLU A 36 -9.894 -4.850 6.861 1.00 0.00 O ATOM 0 H GLU A 36 -8.296 -4.212 4.716 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.405 -2.429 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.316 -5.428 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.599 -4.228 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.355 -4.976 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.047 -3.548 7.871 1.00 0.00 H new ATOM 568 N VAL A 37 -4.447 -3.100 4.639 1.00 0.00 N ATOM 569 CA VAL A 37 -3.347 -3.399 3.752 1.00 0.00 C ATOM 570 C VAL A 37 -2.033 -3.290 4.516 1.00 0.00 C ATOM 571 O VAL A 37 -1.825 -2.368 5.299 1.00 0.00 O ATOM 572 CB VAL A 37 -3.366 -2.524 2.462 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.402 -1.426 2.572 1.00 0.00 C ATOM 574 CG2 VAL A 37 -1.997 -1.939 2.117 1.00 0.00 C ATOM 0 H VAL A 37 -4.266 -2.342 5.297 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.455 -4.425 3.400 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.638 -3.189 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.397 -0.828 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.388 -1.869 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.168 -0.789 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.075 -1.340 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.653 -1.310 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.285 -2.749 1.957 1.00 0.00 H new ATOM 584 N ASP A 38 -1.181 -4.266 4.311 1.00 0.00 N ATOM 585 CA ASP A 38 0.048 -4.384 5.066 1.00 0.00 C ATOM 586 C ASP A 38 1.235 -4.400 4.117 1.00 0.00 C ATOM 587 O ASP A 38 1.163 -4.970 3.035 1.00 0.00 O ATOM 588 CB ASP A 38 -0.014 -5.637 5.965 1.00 0.00 C ATOM 589 CG ASP A 38 1.083 -6.653 5.721 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.771 -7.750 5.209 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.242 -6.379 6.083 1.00 0.00 O ATOM 0 H ASP A 38 -1.318 -5.001 3.617 1.00 0.00 H new ATOM 0 HA ASP A 38 0.174 -3.522 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.029 -5.321 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.978 -6.123 5.819 1.00 0.00 H new ATOM 596 N LEU A 39 2.310 -3.741 4.509 1.00 0.00 N ATOM 597 CA LEU A 39 3.477 -3.629 3.652 1.00 0.00 C ATOM 598 C LEU A 39 4.478 -4.708 4.012 1.00 0.00 C ATOM 599 O LEU A 39 4.682 -5.019 5.184 1.00 0.00 O ATOM 600 CB LEU A 39 4.143 -2.260 3.774 1.00 0.00 C ATOM 601 CG LEU A 39 3.214 -1.049 3.706 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.024 0.232 3.818 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.398 -1.045 2.427 1.00 0.00 C ATOM 0 H LEU A 39 2.400 -3.276 5.413 1.00 0.00 H new ATOM 0 HA LEU A 39 3.144 -3.751 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.683 -2.225 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.884 -2.168 2.980 1.00 0.00 H new ATOM 0 HG LEU A 39 2.518 -1.110 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.355 1.091 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.559 0.243 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.740 0.282 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.749 -0.170 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.068 -1.014 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.790 -1.949 2.380 1.00 0.00 H new ATOM 615 N LEU A 40 5.095 -5.272 2.999 1.00 0.00 N ATOM 616 CA LEU A 40 5.987 -6.395 3.178 1.00 0.00 C ATOM 617 C LEU A 40 7.428 -6.051 2.855 1.00 0.00 C ATOM 618 O LEU A 40 7.757 -4.952 2.409 1.00 0.00 O ATOM 619 CB LEU A 40 5.593 -7.568 2.294 1.00 0.00 C ATOM 620 CG LEU A 40 4.109 -7.895 2.203 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.905 -8.990 1.173 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.563 -8.322 3.557 1.00 0.00 C ATOM 0 H LEU A 40 4.993 -4.967 2.031 1.00 0.00 H new ATOM 0 HA LEU A 40 5.902 -6.662 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.959 -7.371 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.114 -8.455 2.655 1.00 0.00 H new ATOM 0 HG LEU A 40 3.564 -7.003 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.844 -9.230 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.265 -8.649 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.459 -9.880 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.501 -8.550 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.096 -9.208 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.700 -7.514 4.276 1.00 0.00 H new ATOM 634 N LYS A 41 8.250 -7.055 3.065 1.00 0.00 N ATOM 635 CA LYS A 41 9.670 -7.007 2.775 1.00 0.00 C ATOM 636 C LYS A 41 10.146 -8.397 2.392 1.00 0.00 C ATOM 637 O LYS A 41 10.367 -9.238 3.260 1.00 0.00 O ATOM 638 CB LYS A 41 10.459 -6.475 3.961 1.00 0.00 C ATOM 639 CG LYS A 41 10.503 -4.956 4.020 1.00 0.00 C ATOM 640 CD LYS A 41 11.133 -4.467 5.321 1.00 0.00 C ATOM 641 CE LYS A 41 11.316 -2.960 5.328 1.00 0.00 C ATOM 642 NZ LYS A 41 12.263 -2.521 6.386 1.00 0.00 N ATOM 0 H LYS A 41 7.945 -7.949 3.451 1.00 0.00 H new ATOM 0 HA LYS A 41 9.838 -6.323 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.018 -6.855 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.478 -6.860 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.072 -4.574 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.492 -4.558 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.505 -4.761 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.100 -4.951 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.683 -2.634 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.351 -2.478 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.360 -1.486 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.901 -2.809 7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.192 -2.961 6.225 1.00 0.00 H new ATOM 656 N ASN A 42 10.256 -8.634 1.085 1.00 0.00 N ATOM 657 CA ASN A 42 10.580 -9.957 0.523 1.00 0.00 C ATOM 658 C ASN A 42 9.464 -10.977 0.780 1.00 0.00 C ATOM 659 O ASN A 42 9.376 -12.001 0.101 1.00 0.00 O ATOM 660 CB ASN A 42 11.918 -10.481 1.060 1.00 0.00 C ATOM 661 CG ASN A 42 13.114 -9.787 0.435 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.625 -10.215 -0.600 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.577 -8.718 1.064 1.00 0.00 N ATOM 0 H ASN A 42 10.123 -7.912 0.377 1.00 0.00 H new ATOM 0 HA ASN A 42 10.670 -9.826 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.949 -10.345 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.986 -11.552 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.385 -8.218 0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.126 -8.394 1.920 1.00 0.00 H new ATOM 670 N GLY A 43 8.609 -10.685 1.747 1.00 0.00 N ATOM 671 CA GLY A 43 7.507 -11.568 2.062 1.00 0.00 C ATOM 672 C GLY A 43 7.034 -11.424 3.488 1.00 0.00 C ATOM 673 O GLY A 43 6.066 -12.067 3.894 1.00 0.00 O ATOM 0 H GLY A 43 8.660 -9.845 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.677 -11.362 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.812 -12.600 1.887 1.00 0.00 H new ATOM 677 N GLU A 44 7.703 -10.572 4.247 1.00 0.00 N ATOM 678 CA GLU A 44 7.437 -10.448 5.662 1.00 0.00 C ATOM 679 C GLU A 44 6.757 -9.128 5.994 1.00 0.00 C ATOM 680 O GLU A 44 7.033 -8.106 5.375 1.00 0.00 O ATOM 681 CB GLU A 44 8.760 -10.560 6.378 1.00 0.00 C ATOM 682 CG GLU A 44 9.514 -11.805 5.978 1.00 0.00 C ATOM 683 CD GLU A 44 8.829 -13.081 6.428 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.634 -13.258 7.650 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.482 -13.917 5.563 1.00 0.00 O ATOM 0 H GLU A 44 8.437 -9.955 3.900 1.00 0.00 H new ATOM 0 HA GLU A 44 6.754 -11.235 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.367 -9.682 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.590 -10.569 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.627 -11.822 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.517 -11.768 6.403 1.00 0.00 H new ATOM 692 N ARG A 45 5.867 -9.177 6.975 1.00 0.00 N ATOM 693 CA ARG A 45 5.077 -8.027 7.380 1.00 0.00 C ATOM 694 C ARG A 45 5.924 -6.963 8.075 1.00 0.00 C ATOM 695 O ARG A 45 6.710 -7.266 8.976 1.00 0.00 O ATOM 696 CB ARG A 45 3.965 -8.505 8.312 1.00 0.00 C ATOM 697 CG ARG A 45 3.028 -7.436 8.800 1.00 0.00 C ATOM 698 CD ARG A 45 1.736 -8.102 9.277 1.00 0.00 C ATOM 699 NE ARG A 45 1.343 -9.185 8.373 1.00 0.00 N ATOM 700 CZ ARG A 45 0.793 -10.332 8.765 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.512 -10.542 10.044 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.512 -11.260 7.863 1.00 0.00 N ATOM 0 H ARG A 45 5.673 -10.021 7.514 1.00 0.00 H new ATOM 0 HA ARG A 45 4.656 -7.564 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.382 -9.266 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.421 -8.987 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.486 -6.873 9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.815 -6.726 8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.875 -8.496 10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.939 -7.361 9.332 1.00 0.00 H new ATOM 0 HE ARG A 45 1.502 -9.051 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.717 -9.822 10.736 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.091 -11.424 10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.717 -11.092 6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.090 -12.142 8.153 1.00 0.00 H new ATOM 716 N ILE A 46 5.753 -5.719 7.648 1.00 0.00 N ATOM 717 CA ILE A 46 6.397 -4.587 8.285 1.00 0.00 C ATOM 718 C ILE A 46 5.493 -4.052 9.378 1.00 0.00 C ATOM 719 O ILE A 46 4.286 -3.929 9.190 1.00 0.00 O ATOM 720 CB ILE A 46 6.685 -3.456 7.280 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.515 -3.981 6.117 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.410 -2.301 7.970 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.663 -2.986 4.987 1.00 0.00 C ATOM 0 H ILE A 46 5.165 -5.471 6.852 1.00 0.00 H new ATOM 0 HA ILE A 46 7.347 -4.928 8.698 1.00 0.00 H new ATOM 0 HB ILE A 46 5.735 -3.087 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.505 -4.255 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.054 -4.890 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.606 -1.510 7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.788 -1.910 8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.354 -2.658 8.382 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.266 -3.425 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.678 -2.730 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.152 -2.085 5.357 1.00 0.00 H new ATOM 735 N GLU A 47 6.077 -3.732 10.511 1.00 0.00 N ATOM 736 CA GLU A 47 5.300 -3.324 11.682 1.00 0.00 C ATOM 737 C GLU A 47 5.161 -1.802 11.797 1.00 0.00 C ATOM 738 O GLU A 47 4.114 -1.300 12.205 1.00 0.00 O ATOM 739 CB GLU A 47 5.901 -3.934 12.961 1.00 0.00 C ATOM 740 CG GLU A 47 7.404 -4.013 13.007 1.00 0.00 C ATOM 741 CD GLU A 47 8.048 -2.908 13.810 1.00 0.00 C ATOM 742 OE1 GLU A 47 9.038 -2.335 13.325 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.581 -2.623 14.932 1.00 0.00 O ATOM 0 H GLU A 47 7.087 -3.743 10.656 1.00 0.00 H new ATOM 0 HA GLU A 47 4.289 -3.711 11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.561 -3.348 13.815 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.499 -4.940 13.084 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.695 -4.974 13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.791 -3.983 11.989 1.00 0.00 H new ATOM 750 N LYS A 48 6.216 -1.075 11.450 1.00 0.00 N ATOM 751 CA LYS A 48 6.211 0.384 11.460 1.00 0.00 C ATOM 752 C LYS A 48 5.230 1.010 10.462 1.00 0.00 C ATOM 753 O LYS A 48 5.094 2.233 10.413 1.00 0.00 O ATOM 754 CB LYS A 48 7.621 0.858 11.173 1.00 0.00 C ATOM 755 CG LYS A 48 8.599 0.258 12.155 1.00 0.00 C ATOM 756 CD LYS A 48 10.043 0.628 11.869 1.00 0.00 C ATOM 757 CE LYS A 48 10.575 -0.130 10.665 1.00 0.00 C ATOM 758 NZ LYS A 48 12.008 0.179 10.406 1.00 0.00 N ATOM 0 H LYS A 48 7.103 -1.482 11.152 1.00 0.00 H new ATOM 0 HA LYS A 48 5.870 0.708 12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.903 0.581 10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.663 1.946 11.230 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.340 0.587 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.500 -0.827 12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.118 1.700 11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.658 0.407 12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.458 -1.201 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.984 0.124 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.334 -0.357 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.116 1.197 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.576 -0.087 11.236 1.00 0.00 H new ATOM 772 N VAL A 49 4.577 0.187 9.656 1.00 0.00 N ATOM 773 CA VAL A 49 3.574 0.673 8.719 1.00 0.00 C ATOM 774 C VAL A 49 2.397 1.307 9.429 1.00 0.00 C ATOM 775 O VAL A 49 1.767 0.687 10.285 1.00 0.00 O ATOM 776 CB VAL A 49 3.031 -0.450 7.841 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.968 0.093 6.889 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.173 -1.110 7.098 1.00 0.00 C ATOM 0 H VAL A 49 4.723 -0.822 9.631 1.00 0.00 H new ATOM 0 HA VAL A 49 4.082 1.417 8.105 1.00 0.00 H new ATOM 0 HB VAL A 49 2.553 -1.207 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.588 -0.718 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.149 0.523 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.407 0.862 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.784 -1.912 6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.675 -0.372 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.884 -1.522 7.815 1.00 0.00 H new ATOM 788 N GLU A 50 2.096 2.531 9.053 1.00 0.00 N ATOM 789 CA GLU A 50 0.936 3.209 9.575 1.00 0.00 C ATOM 790 C GLU A 50 0.056 3.748 8.466 1.00 0.00 C ATOM 791 O GLU A 50 0.489 3.957 7.330 1.00 0.00 O ATOM 792 CB GLU A 50 1.355 4.334 10.510 1.00 0.00 C ATOM 793 CG GLU A 50 1.914 3.825 11.818 1.00 0.00 C ATOM 794 CD GLU A 50 0.838 3.233 12.706 1.00 0.00 C ATOM 795 OE1 GLU A 50 0.663 2.001 12.706 1.00 0.00 O ATOM 796 OE2 GLU A 50 0.145 4.003 13.403 1.00 0.00 O ATOM 0 H GLU A 50 2.642 3.076 8.386 1.00 0.00 H new ATOM 0 HA GLU A 50 0.353 2.479 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.104 4.953 10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.496 4.974 10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.674 3.070 11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.408 4.643 12.343 1.00 0.00 H new ATOM 803 N HIS A 51 -1.185 3.952 8.831 1.00 0.00 N ATOM 804 CA HIS A 51 -2.175 4.557 7.952 1.00 0.00 C ATOM 805 C HIS A 51 -2.618 5.907 8.508 1.00 0.00 C ATOM 806 O HIS A 51 -2.879 6.046 9.705 1.00 0.00 O ATOM 807 CB HIS A 51 -3.383 3.629 7.743 1.00 0.00 C ATOM 808 CG HIS A 51 -4.073 3.176 9.003 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.291 3.693 9.370 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.703 2.235 9.911 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.637 3.058 10.477 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.707 2.165 10.843 1.00 0.00 N ATOM 0 H HIS A 51 -1.547 3.704 9.752 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.712 4.714 6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.111 4.143 7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.053 2.748 7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.793 1.654 9.901 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.554 3.237 11.018 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.740 1.552 11.657 1.00 0.00 H new ATOM 820 N SER A 52 -2.656 6.906 7.640 1.00 0.00 N ATOM 821 CA SER A 52 -3.053 8.252 8.034 1.00 0.00 C ATOM 822 C SER A 52 -4.534 8.513 7.763 1.00 0.00 C ATOM 823 O SER A 52 -5.313 7.574 7.582 1.00 0.00 O ATOM 824 CB SER A 52 -2.186 9.284 7.306 1.00 0.00 C ATOM 825 OG SER A 52 -1.019 9.583 8.054 1.00 0.00 O ATOM 0 H SER A 52 -2.416 6.811 6.653 1.00 0.00 H new ATOM 0 HA SER A 52 -2.901 8.344 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.906 8.902 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.760 10.196 7.141 1.00 0.00 H new ATOM 0 HG SER A 52 -0.963 8.983 8.827 1.00 0.00 H new ATOM 973 N PHE A 62 -13.988 6.155 -1.461 1.00 0.00 N ATOM 974 CA PHE A 62 -13.176 6.402 -0.279 1.00 0.00 C ATOM 975 C PHE A 62 -11.743 5.946 -0.532 1.00 0.00 C ATOM 976 O PHE A 62 -11.513 4.980 -1.264 1.00 0.00 O ATOM 977 CB PHE A 62 -13.760 5.657 0.930 1.00 0.00 C ATOM 978 CG PHE A 62 -15.273 5.616 0.971 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.003 6.609 1.611 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.962 4.566 0.374 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.391 6.553 1.653 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.343 4.510 0.411 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.057 5.503 1.052 1.00 0.00 C ATOM 0 HA PHE A 62 -13.178 7.471 -0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.381 4.635 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.397 6.130 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.487 7.433 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.411 3.783 -0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.948 7.330 2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.863 3.690 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.136 5.459 1.083 1.00 0.00 H new ATOM 993 N TYR A 63 -10.787 6.644 0.065 1.00 0.00 N ATOM 994 CA TYR A 63 -9.376 6.340 -0.140 1.00 0.00 C ATOM 995 C TYR A 63 -8.709 6.026 1.198 1.00 0.00 C ATOM 996 O TYR A 63 -9.084 6.589 2.224 1.00 0.00 O ATOM 997 CB TYR A 63 -8.679 7.538 -0.807 1.00 0.00 C ATOM 998 CG TYR A 63 -9.406 8.068 -2.026 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.223 7.495 -3.279 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.280 9.143 -1.919 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.894 7.977 -4.389 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.952 9.631 -3.023 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.757 9.044 -4.254 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.430 9.521 -5.355 1.00 0.00 O ATOM 0 H TYR A 63 -10.962 7.426 0.696 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.289 5.469 -0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.580 8.341 -0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.670 7.244 -1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.546 6.660 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.437 9.605 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.743 7.520 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.627 10.468 -2.922 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.999 10.274 -5.090 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.731 5.126 1.186 1.00 0.00 N ATOM 1015 CA LEU A 64 -6.979 4.794 2.390 1.00 0.00 C ATOM 1016 C LEU A 64 -5.517 4.542 2.047 1.00 0.00 C ATOM 1017 O LEU A 64 -5.199 3.830 1.092 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.650 3.605 3.100 1.00 0.00 C ATOM 1019 CG LEU A 64 -6.820 2.841 4.133 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.724 2.362 5.257 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.137 1.657 3.472 1.00 0.00 C ATOM 0 H LEU A 64 -7.441 4.613 0.354 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.989 5.633 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.549 3.972 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.973 2.896 2.337 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.057 3.502 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.132 1.818 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.197 3.220 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.492 1.704 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.547 1.117 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.890 0.991 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.482 2.012 2.676 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.635 5.160 2.826 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.211 5.146 2.543 1.00 0.00 C ATOM 1035 C LEU A 65 -2.449 4.395 3.634 1.00 0.00 C ATOM 1036 O LEU A 65 -2.600 4.684 4.821 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.704 6.591 2.455 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.510 6.844 1.527 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.195 8.332 1.464 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.283 6.071 1.975 1.00 0.00 C ATOM 0 H LEU A 65 -4.889 5.681 3.666 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.042 4.634 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.530 7.223 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.431 6.918 3.458 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.784 6.493 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.345 8.496 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.062 8.872 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.952 8.695 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.544 6.274 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.007 6.379 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.503 5.004 1.969 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.629 3.445 3.219 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.734 2.734 4.123 1.00 0.00 C ATOM 1054 C TYR A 66 0.700 2.979 3.701 1.00 0.00 C ATOM 1055 O TYR A 66 1.070 2.733 2.555 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.026 1.239 4.135 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.012 0.782 5.189 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.583 0.449 6.471 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.356 0.626 4.891 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.471 -0.031 7.418 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.243 0.156 5.833 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.801 -0.176 7.090 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.693 -0.664 8.014 1.00 0.00 O ATOM 0 H TYR A 66 -1.563 3.143 2.247 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.894 3.110 5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.407 0.952 3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.088 0.703 4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.541 0.567 6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.714 0.877 3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.124 -0.290 8.407 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.288 0.048 5.583 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.588 -0.700 7.617 1.00 0.00 H new ATOM 1073 N TYR A 67 1.498 3.490 4.615 1.00 0.00 N ATOM 1074 CA TYR A 67 2.865 3.860 4.284 1.00 0.00 C ATOM 1075 C TYR A 67 3.841 3.519 5.398 1.00 0.00 C ATOM 1076 O TYR A 67 3.445 3.221 6.526 1.00 0.00 O ATOM 1077 CB TYR A 67 2.938 5.360 3.962 1.00 0.00 C ATOM 1078 CG TYR A 67 2.551 6.264 5.110 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.481 6.633 6.075 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.258 6.753 5.224 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.130 7.460 7.121 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.899 7.582 6.266 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.839 7.932 7.212 1.00 0.00 C ATOM 1084 OH TYR A 67 1.481 8.750 8.256 1.00 0.00 O ATOM 0 H TYR A 67 1.231 3.659 5.585 1.00 0.00 H new ATOM 0 HA TYR A 67 3.157 3.280 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.954 5.603 3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.285 5.570 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.494 6.266 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.520 6.480 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.863 7.736 7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.112 7.955 6.341 1.00 0.00 H new ATOM 0 HH TYR A 67 0.712 9.298 7.993 1.00 0.00 H new ATOM 1094 N THR A 68 5.120 3.560 5.060 1.00 0.00 N ATOM 1095 CA THR A 68 6.180 3.361 6.030 1.00 0.00 C ATOM 1096 C THR A 68 7.420 4.137 5.593 1.00 0.00 C ATOM 1097 O THR A 68 7.726 4.221 4.397 1.00 0.00 O ATOM 1098 CB THR A 68 6.525 1.859 6.214 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.410 1.687 7.328 1.00 0.00 O ATOM 1100 CG2 THR A 68 7.163 1.259 4.963 1.00 0.00 C ATOM 0 H THR A 68 5.449 3.731 4.110 1.00 0.00 H new ATOM 0 HA THR A 68 5.830 3.732 6.993 1.00 0.00 H new ATOM 0 HB THR A 68 5.588 1.335 6.399 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.619 0.736 7.436 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.387 0.207 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.473 1.348 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.085 1.793 4.733 1.00 0.00 H new ATOM 1108 N GLU A 69 8.096 4.749 6.554 1.00 0.00 N ATOM 1109 CA GLU A 69 9.319 5.464 6.290 1.00 0.00 C ATOM 1110 C GLU A 69 10.452 4.463 6.198 1.00 0.00 C ATOM 1111 O GLU A 69 10.624 3.624 7.087 1.00 0.00 O ATOM 1112 CB GLU A 69 9.579 6.447 7.430 1.00 0.00 C ATOM 1113 CG GLU A 69 8.313 6.831 8.163 1.00 0.00 C ATOM 1114 CD GLU A 69 8.567 7.656 9.408 1.00 0.00 C ATOM 1115 OE1 GLU A 69 8.269 8.870 9.397 1.00 0.00 O ATOM 1116 OE2 GLU A 69 9.055 7.087 10.410 1.00 0.00 O ATOM 0 H GLU A 69 7.807 4.760 7.532 1.00 0.00 H new ATOM 0 HA GLU A 69 9.244 6.017 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.283 6.004 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.051 7.345 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.668 7.394 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.773 5.926 8.440 1.00 0.00 H new ATOM 1123 N PHE A 70 11.213 4.541 5.131 1.00 0.00 N ATOM 1124 CA PHE A 70 12.202 3.515 4.861 1.00 0.00 C ATOM 1125 C PHE A 70 13.464 4.097 4.224 1.00 0.00 C ATOM 1126 O PHE A 70 13.476 5.251 3.779 1.00 0.00 O ATOM 1127 CB PHE A 70 11.600 2.394 3.985 1.00 0.00 C ATOM 1128 CG PHE A 70 11.213 2.799 2.580 1.00 0.00 C ATOM 1129 CD1 PHE A 70 11.020 4.124 2.237 1.00 0.00 C ATOM 1130 CD2 PHE A 70 11.046 1.833 1.600 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.675 4.482 0.951 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.698 2.182 0.308 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.512 3.512 -0.019 1.00 0.00 C ATOM 0 H PHE A 70 11.171 5.292 4.442 1.00 0.00 H new ATOM 0 HA PHE A 70 12.497 3.081 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.321 1.579 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.716 2.000 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.141 4.891 2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.190 0.792 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.532 5.523 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.572 1.417 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.241 3.791 -1.026 1.00 0.00 H new ATOM 1143 N THR A 71 14.523 3.304 4.206 1.00 0.00 N ATOM 1144 CA THR A 71 15.733 3.644 3.482 1.00 0.00 C ATOM 1145 C THR A 71 16.046 2.541 2.467 1.00 0.00 C ATOM 1146 O THR A 71 16.755 1.586 2.784 1.00 0.00 O ATOM 1147 CB THR A 71 16.923 3.827 4.446 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.580 4.787 5.457 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.162 4.307 3.706 1.00 0.00 C ATOM 0 H THR A 71 14.566 2.409 4.692 1.00 0.00 H new ATOM 0 HA THR A 71 15.573 4.588 2.961 1.00 0.00 H new ATOM 0 HB THR A 71 17.142 2.861 4.901 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.336 4.901 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.984 4.427 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.439 3.575 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.952 5.264 3.228 1.00 0.00 H new ATOM 1157 N PRO A 72 15.473 2.639 1.251 1.00 0.00 N ATOM 1158 CA PRO A 72 15.643 1.629 0.196 1.00 0.00 C ATOM 1159 C PRO A 72 17.093 1.257 -0.080 1.00 0.00 C ATOM 1160 O PRO A 72 18.004 2.078 0.040 1.00 0.00 O ATOM 1161 CB PRO A 72 15.035 2.283 -1.060 1.00 0.00 C ATOM 1162 CG PRO A 72 14.685 3.692 -0.683 1.00 0.00 C ATOM 1163 CD PRO A 72 14.578 3.723 0.820 1.00 0.00 C ATOM 0 HA PRO A 72 15.167 0.696 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.745 2.268 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.150 1.739 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.449 4.387 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.745 3.994 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.890 4.686 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.554 3.554 1.153 1.00 0.00 H new ATOM 1171 N THR A 73 17.283 0.003 -0.457 1.00 0.00 N ATOM 1172 CA THR A 73 18.569 -0.532 -0.825 1.00 0.00 C ATOM 1173 C THR A 73 18.364 -1.416 -2.050 1.00 0.00 C ATOM 1174 O THR A 73 17.230 -1.583 -2.500 1.00 0.00 O ATOM 1175 CB THR A 73 19.231 -1.365 0.305 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.556 -2.616 0.465 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.223 -0.618 1.633 1.00 0.00 C ATOM 0 H THR A 73 16.527 -0.680 -0.514 1.00 0.00 H new ATOM 0 HA THR A 73 19.241 0.302 -1.026 1.00 0.00 H new ATOM 0 HB THR A 73 20.266 -1.540 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.654 -2.552 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.695 -1.233 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.774 0.317 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.195 -0.402 1.923 1.00 0.00 H new ATOM 1185 N GLU A 74 19.425 -1.954 -2.616 1.00 0.00 N ATOM 1186 CA GLU A 74 19.282 -2.883 -3.719 1.00 0.00 C ATOM 1187 C GLU A 74 18.920 -4.267 -3.224 1.00 0.00 C ATOM 1188 O GLU A 74 18.127 -4.972 -3.842 1.00 0.00 O ATOM 1189 CB GLU A 74 20.578 -2.890 -4.528 1.00 0.00 C ATOM 1190 CG GLU A 74 20.657 -3.921 -5.637 1.00 0.00 C ATOM 1191 CD GLU A 74 21.181 -5.263 -5.164 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.700 -6.301 -5.660 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.088 -5.284 -4.307 1.00 0.00 O ATOM 0 H GLU A 74 20.387 -1.767 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 74 18.464 -2.562 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 74 20.716 -1.901 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.410 -3.055 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 74 19.666 -4.057 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.303 -3.544 -6.430 1.00 0.00 H new ATOM 1200 N LYS A 75 19.488 -4.636 -2.101 1.00 0.00 N ATOM 1201 CA LYS A 75 19.380 -5.980 -1.611 1.00 0.00 C ATOM 1202 C LYS A 75 18.026 -6.241 -0.969 1.00 0.00 C ATOM 1203 O LYS A 75 17.550 -7.376 -0.961 1.00 0.00 O ATOM 1204 CB LYS A 75 20.503 -6.248 -0.613 1.00 0.00 C ATOM 1205 CG LYS A 75 21.889 -6.196 -1.236 1.00 0.00 C ATOM 1206 CD LYS A 75 22.889 -5.514 -0.325 1.00 0.00 C ATOM 1207 CE LYS A 75 23.088 -6.277 0.973 1.00 0.00 C ATOM 1208 NZ LYS A 75 23.978 -5.539 1.904 1.00 0.00 N ATOM 0 H LYS A 75 20.035 -4.013 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 75 19.471 -6.660 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.447 -5.515 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.352 -7.229 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.228 -7.209 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.841 -5.664 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.845 -5.421 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.547 -4.503 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.122 -6.447 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.515 -7.257 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.094 -6.086 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.907 -5.399 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.558 -4.614 2.126 1.00 0.00 H new ATOM 1222 N ASP A 76 17.393 -5.208 -0.427 1.00 0.00 N ATOM 1223 CA ASP A 76 16.112 -5.408 0.214 1.00 0.00 C ATOM 1224 C ASP A 76 14.972 -5.089 -0.750 1.00 0.00 C ATOM 1225 O ASP A 76 15.190 -4.547 -1.834 1.00 0.00 O ATOM 1226 CB ASP A 76 16.001 -4.611 1.535 1.00 0.00 C ATOM 1227 CG ASP A 76 15.765 -3.117 1.393 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.333 -2.499 2.395 1.00 0.00 O ATOM 1229 OD2 ASP A 76 16.018 -2.552 0.317 1.00 0.00 O ATOM 0 H ASP A 76 17.739 -4.249 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 76 16.030 -6.461 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.187 -5.033 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.918 -4.761 2.105 1.00 0.00 H new ATOM 1234 N GLU A 77 13.758 -5.468 -0.366 1.00 0.00 N ATOM 1235 CA GLU A 77 12.609 -5.382 -1.252 1.00 0.00 C ATOM 1236 C GLU A 77 11.341 -5.251 -0.426 1.00 0.00 C ATOM 1237 O GLU A 77 11.242 -5.835 0.652 1.00 0.00 O ATOM 1238 CB GLU A 77 12.557 -6.635 -2.135 1.00 0.00 C ATOM 1239 CG GLU A 77 11.480 -6.624 -3.222 1.00 0.00 C ATOM 1240 CD GLU A 77 11.724 -5.555 -4.260 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.759 -5.619 -4.957 1.00 0.00 O ATOM 1242 OE2 GLU A 77 10.864 -4.668 -4.410 1.00 0.00 O ATOM 0 H GLU A 77 13.546 -5.840 0.560 1.00 0.00 H new ATOM 0 HA GLU A 77 12.696 -4.505 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.529 -6.765 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.396 -7.503 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.448 -7.599 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.505 -6.465 -2.762 1.00 0.00 H new ATOM 1249 N TYR A 78 10.389 -4.477 -0.921 1.00 0.00 N ATOM 1250 CA TYR A 78 9.152 -4.225 -0.201 1.00 0.00 C ATOM 1251 C TYR A 78 7.958 -4.640 -1.037 1.00 0.00 C ATOM 1252 O TYR A 78 8.032 -4.696 -2.266 1.00 0.00 O ATOM 1253 CB TYR A 78 9.033 -2.745 0.169 1.00 0.00 C ATOM 1254 CG TYR A 78 10.335 -2.122 0.599 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.737 -2.167 1.921 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.164 -1.494 -0.321 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.927 -1.603 2.321 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.358 -0.929 0.070 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.736 -0.986 1.392 1.00 0.00 C ATOM 1260 OH TYR A 78 13.918 -0.414 1.791 1.00 0.00 O ATOM 0 H TYR A 78 10.451 -4.009 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 78 9.168 -4.816 0.715 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.643 -2.196 -0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.306 -2.638 0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.107 -2.653 2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.868 -1.448 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.225 -1.644 3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.993 -0.444 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 78 14.392 -1.027 2.390 1.00 0.00 H new ATOM 1270 N ALA A 79 6.862 -4.945 -0.372 1.00 0.00 N ATOM 1271 CA ALA A 79 5.647 -5.372 -1.062 1.00 0.00 C ATOM 1272 C ALA A 79 4.400 -4.810 -0.392 1.00 0.00 C ATOM 1273 O ALA A 79 4.467 -4.301 0.717 1.00 0.00 O ATOM 1274 CB ALA A 79 5.578 -6.887 -1.127 1.00 0.00 C ATOM 0 H ALA A 79 6.781 -4.907 0.644 1.00 0.00 H new ATOM 0 HA ALA A 79 5.685 -4.978 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.667 -7.188 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.445 -7.268 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.573 -7.295 -0.116 1.00 0.00 H new ATOM 1280 N CYS A 80 3.278 -4.848 -1.091 1.00 0.00 N ATOM 1281 CA CYS A 80 1.999 -4.440 -0.523 1.00 0.00 C ATOM 1282 C CYS A 80 1.037 -5.629 -0.470 1.00 0.00 C ATOM 1283 O CYS A 80 0.875 -6.342 -1.460 1.00 0.00 O ATOM 1284 CB CYS A 80 1.385 -3.311 -1.358 1.00 0.00 C ATOM 1285 SG CYS A 80 1.897 -1.635 -0.859 1.00 0.00 S ATOM 0 H CYS A 80 3.225 -5.160 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 80 2.170 -4.079 0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.653 -3.463 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.299 -3.379 -1.295 1.00 0.00 H new ATOM 1290 N ARG A 81 0.422 -5.839 0.685 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.562 -6.905 0.878 1.00 0.00 C ATOM 1292 C ARG A 81 -1.898 -6.283 1.252 1.00 0.00 C ATOM 1293 O ARG A 81 -1.939 -5.383 2.074 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.118 -7.819 2.019 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.917 -9.120 2.148 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.550 -9.885 3.424 1.00 0.00 C ATOM 1297 NE ARG A 81 -1.703 -10.496 4.072 1.00 0.00 N ATOM 1298 CZ ARG A 81 -2.107 -10.173 5.297 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -1.490 -9.204 5.965 1.00 0.00 N ATOM 1300 NH2 ARG A 81 -3.127 -10.811 5.858 1.00 0.00 N ATOM 0 H ARG A 81 0.589 -5.276 1.519 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.652 -7.482 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.934 -8.068 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.193 -7.269 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.983 -8.894 2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.729 -9.750 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.176 -10.660 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.066 -9.203 4.123 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.226 -11.207 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.707 -8.709 5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.799 -8.956 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.606 -11.554 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.432 -10.558 6.798 1.00 0.00 H new ATOM 1314 N VAL A 82 -2.988 -6.744 0.665 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.302 -6.232 1.063 1.00 0.00 C ATOM 1316 C VAL A 82 -5.287 -7.356 1.307 1.00 0.00 C ATOM 1317 O VAL A 82 -5.251 -8.395 0.646 1.00 0.00 O ATOM 1318 CB VAL A 82 -4.912 -5.232 0.055 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -3.839 -4.359 -0.536 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.711 -5.924 -1.033 1.00 0.00 C ATOM 0 H VAL A 82 -3.000 -7.452 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.121 -5.691 1.992 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.611 -4.603 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.287 -3.661 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.344 -3.802 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.108 -4.981 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.119 -5.178 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.062 -6.604 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.528 -6.488 -0.582 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.144 -7.138 2.281 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.187 -8.100 2.619 1.00 0.00 C ATOM 1332 C ASN A 83 -8.568 -7.551 2.312 1.00 0.00 C ATOM 1333 O ASN A 83 -8.935 -6.488 2.810 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.158 -8.466 4.117 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.884 -9.152 4.566 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.789 -10.374 4.553 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.904 -8.376 4.996 1.00 0.00 N ATOM 0 H ASN A 83 -6.144 -6.298 2.860 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.988 -8.984 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.294 -7.558 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.004 -9.117 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.035 -8.791 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.017 -7.362 4.993 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.337 -8.260 1.492 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.749 -7.979 1.365 1.00 0.00 C ATOM 1346 C HIS A 84 -11.462 -9.270 1.003 1.00 0.00 C ATOM 1347 O HIS A 84 -10.827 -10.214 0.528 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.996 -6.914 0.301 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.270 -6.162 0.514 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.371 -6.377 -0.281 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.565 -5.214 1.439 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.308 -5.561 0.174 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.865 -4.840 1.212 1.00 0.00 N ATOM 0 H HIS A 84 -9.001 -9.028 0.911 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.134 -7.593 2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.162 -6.212 0.297 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.019 -7.387 -0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.906 -4.830 2.203 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.303 -5.486 -0.239 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.395 -4.143 1.736 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.769 -9.319 1.224 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.535 -10.531 0.979 1.00 0.00 C ATOM 1363 C VAL A 85 -13.592 -10.856 -0.510 1.00 0.00 C ATOM 1364 O VAL A 85 -13.813 -11.999 -0.896 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.976 -10.414 1.525 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.962 -10.147 3.023 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.752 -9.327 0.790 1.00 0.00 C ATOM 0 H VAL A 85 -13.319 -8.534 1.572 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.022 -11.336 1.505 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.482 -11.364 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.986 -10.068 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.457 -10.967 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.433 -9.215 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.763 -9.265 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.250 -8.369 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.799 -9.569 -0.272 1.00 0.00 H new ATOM 1377 N THR A 86 -13.380 -9.845 -1.338 1.00 0.00 N ATOM 1378 CA THR A 86 -13.509 -9.991 -2.776 1.00 0.00 C ATOM 1379 C THR A 86 -12.383 -10.828 -3.358 1.00 0.00 C ATOM 1380 O THR A 86 -12.609 -11.717 -4.179 1.00 0.00 O ATOM 1381 CB THR A 86 -13.479 -8.613 -3.442 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.299 -7.916 -3.032 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.688 -7.788 -3.061 1.00 0.00 C ATOM 0 H THR A 86 -13.116 -8.908 -1.034 1.00 0.00 H new ATOM 0 HA THR A 86 -14.457 -10.493 -2.969 1.00 0.00 H new ATOM 0 HB THR A 86 -13.486 -8.760 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.486 -7.410 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.634 -6.816 -3.551 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.595 -8.304 -3.376 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.707 -7.649 -1.980 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.170 -10.527 -2.921 1.00 0.00 N ATOM 1392 CA LEU A 87 -9.988 -11.164 -3.467 1.00 0.00 C ATOM 1393 C LEU A 87 -9.971 -12.645 -3.125 1.00 0.00 C ATOM 1394 O LEU A 87 -9.364 -13.445 -3.838 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.716 -10.483 -2.947 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.516 -9.035 -3.406 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.178 -8.495 -2.923 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.616 -8.945 -4.923 1.00 0.00 C ATOM 0 H LEU A 87 -10.981 -9.843 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.017 -11.059 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.732 -10.503 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.854 -11.070 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.304 -8.422 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.058 -7.466 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.145 -8.526 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.371 -9.106 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.472 -7.911 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.848 -9.572 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.600 -9.288 -5.244 1.00 0.00 H new ATOM 1410 N SER A 88 -10.630 -12.990 -2.012 1.00 0.00 N ATOM 1411 CA SER A 88 -10.733 -14.367 -1.535 1.00 0.00 C ATOM 1412 C SER A 88 -9.379 -14.876 -1.016 1.00 0.00 C ATOM 1413 O SER A 88 -9.308 -15.854 -0.271 1.00 0.00 O ATOM 1414 CB SER A 88 -11.318 -15.265 -2.627 1.00 0.00 C ATOM 1415 OG SER A 88 -11.424 -16.616 -2.214 1.00 0.00 O ATOM 0 H SER A 88 -11.108 -12.314 -1.416 1.00 0.00 H new ATOM 0 HA SER A 88 -11.419 -14.396 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.304 -14.895 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.690 -15.208 -3.516 1.00 0.00 H new ATOM 0 HG SER A 88 -11.803 -17.152 -2.942 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.315 -14.179 -1.401 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.960 -14.441 -0.955 1.00 0.00 C ATOM 1423 C GLN A 89 -6.248 -13.095 -0.976 1.00 0.00 C ATOM 1424 O GLN A 89 -6.253 -12.439 -2.020 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.245 -15.395 -1.923 1.00 0.00 C ATOM 1426 CG GLN A 89 -7.098 -16.558 -2.401 1.00 0.00 C ATOM 1427 CD GLN A 89 -6.579 -17.180 -3.680 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -5.380 -17.159 -3.959 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -7.484 -17.735 -4.470 1.00 0.00 N ATOM 0 H GLN A 89 -8.378 -13.395 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.959 -14.901 0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.907 -14.828 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.355 -15.790 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.136 -17.319 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.120 -16.212 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.468 -17.730 -4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.198 -18.167 -5.348 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.682 -12.622 0.152 1.00 0.00 N ATOM 1439 CA PRO A 90 -4.989 -11.325 0.188 1.00 0.00 C ATOM 1440 C PRO A 90 -4.028 -11.144 -0.978 1.00 0.00 C ATOM 1441 O PRO A 90 -3.436 -12.105 -1.474 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.238 -11.377 1.511 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.134 -12.185 2.377 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.672 -13.278 1.482 1.00 0.00 C ATOM 0 HA PRO A 90 -5.678 -10.485 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.258 -11.842 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.073 -10.380 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.591 -12.602 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.942 -11.577 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.036 -14.163 1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.669 -13.598 1.785 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.856 -9.906 -1.393 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.157 -9.622 -2.621 1.00 0.00 C ATOM 1454 C LYS A 91 -1.805 -9.007 -2.339 1.00 0.00 C ATOM 1455 O LYS A 91 -1.708 -8.040 -1.589 1.00 0.00 O ATOM 1456 CB LYS A 91 -3.965 -8.671 -3.483 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.404 -8.550 -4.878 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.480 -9.884 -5.594 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.909 -10.392 -5.701 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.955 -11.785 -6.216 1.00 0.00 N ATOM 0 H LYS A 91 -4.192 -9.082 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.018 -10.564 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.996 -9.020 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.985 -7.687 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.960 -7.798 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.369 -8.212 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.055 -9.784 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.874 -10.617 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.386 -10.349 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.480 -9.740 -6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.944 -12.100 -6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.522 -11.820 -7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.431 -12.411 -5.572 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.769 -9.574 -2.927 1.00 0.00 N ATOM 1475 CA ILE A 92 0.566 -9.018 -2.805 1.00 0.00 C ATOM 1476 C ILE A 92 1.047 -8.482 -4.141 1.00 0.00 C ATOM 1477 O ILE A 92 0.980 -9.166 -5.164 1.00 0.00 O ATOM 1478 CB ILE A 92 1.608 -10.039 -2.297 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.264 -10.534 -0.888 1.00 0.00 C ATOM 1480 CG2 ILE A 92 3.005 -9.427 -2.314 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.259 -11.664 -0.851 1.00 0.00 C ATOM 0 H ILE A 92 -0.826 -10.420 -3.494 1.00 0.00 H new ATOM 0 HA ILE A 92 0.483 -8.218 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 92 1.588 -10.897 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.180 -10.863 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.874 -9.698 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.727 -10.159 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.262 -9.135 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.025 -8.549 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.074 -11.952 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.674 -11.336 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.652 -12.519 -1.401 1.00 0.00 H new ATOM 1493 N VAL A 93 1.514 -7.254 -4.117 1.00 0.00 N ATOM 1494 CA VAL A 93 2.193 -6.660 -5.248 1.00 0.00 C ATOM 1495 C VAL A 93 3.516 -6.092 -4.766 1.00 0.00 C ATOM 1496 O VAL A 93 3.561 -5.379 -3.760 1.00 0.00 O ATOM 1497 CB VAL A 93 1.350 -5.551 -5.921 1.00 0.00 C ATOM 1498 CG1 VAL A 93 2.125 -4.882 -7.049 1.00 0.00 C ATOM 1499 CG2 VAL A 93 0.040 -6.123 -6.443 1.00 0.00 C ATOM 0 H VAL A 93 1.434 -6.636 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 93 2.355 -7.431 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 93 1.127 -4.794 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.509 -4.107 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.035 -4.434 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.387 -5.626 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.541 -5.330 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.250 -6.903 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.528 -6.546 -5.615 1.00 0.00 H new ATOM 1509 N LYS A 94 4.587 -6.423 -5.462 1.00 0.00 N ATOM 1510 CA LYS A 94 5.902 -6.007 -5.038 1.00 0.00 C ATOM 1511 C LYS A 94 6.214 -4.626 -5.612 1.00 0.00 C ATOM 1512 O LYS A 94 5.874 -4.325 -6.760 1.00 0.00 O ATOM 1513 CB LYS A 94 6.942 -7.057 -5.440 1.00 0.00 C ATOM 1514 CG LYS A 94 7.871 -6.640 -6.553 1.00 0.00 C ATOM 1515 CD LYS A 94 9.083 -7.542 -6.570 1.00 0.00 C ATOM 1516 CE LYS A 94 10.314 -6.833 -7.105 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.242 -5.356 -6.931 1.00 0.00 N ATOM 0 H LYS A 94 4.569 -6.976 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 94 5.935 -5.925 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.539 -7.309 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.421 -7.965 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.353 -6.693 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.179 -5.604 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.282 -7.901 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.874 -8.418 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.199 -7.213 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.432 -7.066 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.157 -4.931 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.498 -4.970 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.021 -5.134 -5.939 1.00 0.00 H new ATOM 1531 N TRP A 95 6.840 -3.790 -4.793 1.00 0.00 N ATOM 1532 CA TRP A 95 7.077 -2.390 -5.145 1.00 0.00 C ATOM 1533 C TRP A 95 8.025 -2.279 -6.329 1.00 0.00 C ATOM 1534 O TRP A 95 9.163 -2.748 -6.284 1.00 0.00 O ATOM 1535 CB TRP A 95 7.631 -1.609 -3.941 1.00 0.00 C ATOM 1536 CG TRP A 95 8.021 -0.195 -4.266 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.207 0.799 -4.735 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.325 0.385 -4.132 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.930 1.954 -4.908 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.228 1.727 -4.543 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.566 -0.098 -3.705 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.318 2.588 -4.540 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.650 0.759 -3.698 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.519 2.095 -4.116 1.00 0.00 C ATOM 0 H TRP A 95 7.196 -4.056 -3.875 1.00 0.00 H new ATOM 0 HA TRP A 95 6.121 -1.952 -5.430 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.881 -1.597 -3.151 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.501 -2.135 -3.547 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.152 0.692 -4.939 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.558 2.839 -5.253 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.675 -1.124 -3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.219 3.614 -4.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.612 0.397 -3.367 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.383 2.743 -4.102 1.00 0.00 H new