USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 65 SER OG : rot 180:sc=-0.00484 USER MOD Set 1.2: A 66 ASN : amide:sc= -0.0837 K(o=-0.089,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0735 (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 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -75:sc= 0.116 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 27:sc= 0.11 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.603 K(o=-0.6,f=-0.039) USER MOD Single : A 47 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.09) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.191 (180deg=-1.24) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 58 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.3!) USER MOD Single : A 60 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 19:sc= 0.944 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 47:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.705 -17.097 -19.130 1.00 0.00 N ATOM 2 CA GLY A 1 19.510 -15.860 -18.397 1.00 0.00 C ATOM 3 C GLY A 1 18.485 -15.998 -17.289 1.00 0.00 C ATOM 4 O GLY A 1 17.799 -17.015 -17.192 1.00 0.00 O ATOM 0 H1 GLY A 1 20.694 -17.404 -19.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.076 -17.831 -18.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.485 -16.944 -20.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.461 -15.540 -17.970 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.192 -15.079 -19.087 1.00 0.00 H new ATOM 8 N SER A 2 18.382 -14.973 -16.449 1.00 0.00 N ATOM 9 CA SER A 2 17.437 -14.987 -15.339 1.00 0.00 C ATOM 10 C SER A 2 16.805 -13.611 -15.145 1.00 0.00 C ATOM 11 O SER A 2 17.503 -12.599 -15.083 1.00 0.00 O ATOM 12 CB SER A 2 18.137 -15.424 -14.051 1.00 0.00 C ATOM 13 OG SER A 2 18.097 -16.833 -13.902 1.00 0.00 O ATOM 0 H SER A 2 18.941 -14.123 -16.516 1.00 0.00 H new ATOM 0 HA SER A 2 16.648 -15.700 -15.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.173 -15.086 -14.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.658 -14.951 -13.194 1.00 0.00 H new ATOM 0 HG SER A 2 18.552 -17.087 -13.072 1.00 0.00 H new ATOM 19 N SER A 3 15.479 -13.584 -15.052 1.00 0.00 N ATOM 20 CA SER A 3 14.752 -12.333 -14.870 1.00 0.00 C ATOM 21 C SER A 3 13.810 -12.422 -13.672 1.00 0.00 C ATOM 22 O SER A 3 12.762 -13.062 -13.739 1.00 0.00 O ATOM 23 CB SER A 3 13.959 -11.991 -16.132 1.00 0.00 C ATOM 24 OG SER A 3 13.637 -10.612 -16.175 1.00 0.00 O ATOM 0 H SER A 3 14.887 -14.413 -15.100 1.00 0.00 H new ATOM 0 HA SER A 3 15.479 -11.543 -14.681 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.540 -12.259 -17.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.044 -12.582 -16.161 1.00 0.00 H new ATOM 0 HG SER A 3 13.132 -10.419 -16.992 1.00 0.00 H new ATOM 30 N GLY A 4 14.193 -11.773 -12.577 1.00 0.00 N ATOM 31 CA GLY A 4 13.373 -11.791 -11.380 1.00 0.00 C ATOM 32 C GLY A 4 12.450 -10.591 -11.291 1.00 0.00 C ATOM 33 O GLY A 4 12.526 -9.679 -12.115 1.00 0.00 O ATOM 0 H GLY A 4 15.056 -11.235 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.779 -12.705 -11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.018 -11.815 -10.502 1.00 0.00 H new ATOM 37 N SER A 5 11.575 -10.592 -10.291 1.00 0.00 N ATOM 38 CA SER A 5 10.629 -9.499 -10.101 1.00 0.00 C ATOM 39 C SER A 5 10.688 -8.972 -8.671 1.00 0.00 C ATOM 40 O SER A 5 10.281 -9.652 -7.729 1.00 0.00 O ATOM 41 CB SER A 5 9.208 -9.963 -10.428 1.00 0.00 C ATOM 42 OG SER A 5 9.097 -10.346 -11.787 1.00 0.00 O ATOM 0 H SER A 5 11.501 -11.338 -9.599 1.00 0.00 H new ATOM 0 HA SER A 5 10.904 -8.691 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.940 -10.803 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.502 -9.161 -10.214 1.00 0.00 H new ATOM 0 HG SER A 5 8.180 -10.640 -11.970 1.00 0.00 H new ATOM 48 N SER A 6 11.198 -7.754 -8.516 1.00 0.00 N ATOM 49 CA SER A 6 11.315 -7.135 -7.201 1.00 0.00 C ATOM 50 C SER A 6 11.002 -5.644 -7.272 1.00 0.00 C ATOM 51 O SER A 6 11.792 -4.856 -7.790 1.00 0.00 O ATOM 52 CB SER A 6 12.722 -7.346 -6.638 1.00 0.00 C ATOM 53 OG SER A 6 12.773 -7.020 -5.260 1.00 0.00 O ATOM 0 H SER A 6 11.537 -7.176 -9.285 1.00 0.00 H new ATOM 0 HA SER A 6 10.591 -7.609 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.023 -8.384 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.433 -6.730 -7.188 1.00 0.00 H new ATOM 0 HG SER A 6 13.682 -7.165 -4.923 1.00 0.00 H new ATOM 59 N GLY A 7 9.840 -5.264 -6.748 1.00 0.00 N ATOM 60 CA GLY A 7 9.441 -3.868 -6.762 1.00 0.00 C ATOM 61 C GLY A 7 9.871 -3.130 -5.510 1.00 0.00 C ATOM 62 O GLY A 7 10.903 -3.445 -4.920 1.00 0.00 O ATOM 0 H GLY A 7 9.168 -5.897 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.873 -3.379 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.358 -3.804 -6.864 1.00 0.00 H new ATOM 66 N GLN A 8 9.077 -2.144 -5.105 1.00 0.00 N ATOM 67 CA GLN A 8 9.382 -1.358 -3.915 1.00 0.00 C ATOM 68 C GLN A 8 8.421 -1.693 -2.779 1.00 0.00 C ATOM 69 O GLN A 8 7.233 -1.378 -2.845 1.00 0.00 O ATOM 70 CB GLN A 8 9.312 0.137 -4.234 1.00 0.00 C ATOM 71 CG GLN A 8 10.346 0.591 -5.251 1.00 0.00 C ATOM 72 CD GLN A 8 9.901 1.813 -6.030 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.657 1.741 -7.235 1.00 0.00 O ATOM 74 NE2 GLN A 8 9.794 2.945 -5.345 1.00 0.00 N ATOM 0 H GLN A 8 8.218 -1.871 -5.583 1.00 0.00 H new ATOM 0 HA GLN A 8 10.394 -1.608 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.317 0.374 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.448 0.703 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.282 0.813 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.549 -0.224 -5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.006 2.959 -4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.500 3.800 -5.816 1.00 0.00 H new ATOM 83 N TYR A 9 8.944 -2.334 -1.739 1.00 0.00 N ATOM 84 CA TYR A 9 8.132 -2.714 -0.590 1.00 0.00 C ATOM 85 C TYR A 9 8.234 -1.671 0.519 1.00 0.00 C ATOM 86 O TYR A 9 9.323 -1.199 0.844 1.00 0.00 O ATOM 87 CB TYR A 9 8.568 -4.082 -0.061 1.00 0.00 C ATOM 88 CG TYR A 9 8.721 -5.128 -1.142 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.707 -5.358 -2.063 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.881 -5.887 -1.242 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.843 -6.313 -3.051 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.026 -6.843 -2.228 1.00 0.00 C ATOM 93 CZ TYR A 9 9.004 -7.053 -3.130 1.00 0.00 C ATOM 94 OH TYR A 9 9.143 -8.005 -4.114 1.00 0.00 O ATOM 0 H TYR A 9 9.926 -2.601 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 9 7.093 -2.771 -0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.517 -3.973 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.837 -4.430 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.797 -4.780 -2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.683 -5.726 -0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.044 -6.480 -3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.935 -7.423 -2.292 1.00 0.00 H new ATOM 0 HH TYR A 9 10.019 -8.436 -4.031 1.00 0.00 H new ATOM 104 N PHE A 10 7.091 -1.317 1.097 1.00 0.00 N ATOM 105 CA PHE A 10 7.050 -0.330 2.169 1.00 0.00 C ATOM 106 C PHE A 10 6.346 -0.894 3.400 1.00 0.00 C ATOM 107 O PHE A 10 5.524 -1.804 3.297 1.00 0.00 O ATOM 108 CB PHE A 10 6.337 0.939 1.696 1.00 0.00 C ATOM 109 CG PHE A 10 7.225 1.872 0.924 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.683 1.530 -0.338 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.603 3.092 1.461 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.499 2.387 -1.051 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.419 3.954 0.753 1.00 0.00 C ATOM 114 CZ PHE A 10 8.869 3.600 -0.505 1.00 0.00 C ATOM 0 H PHE A 10 6.181 -1.699 0.841 1.00 0.00 H new ATOM 0 HA PHE A 10 8.076 -0.082 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.488 0.658 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.936 1.465 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.399 0.582 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.256 3.373 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.847 2.108 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.705 4.903 1.182 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.509 4.271 -1.060 1.00 0.00 H new ATOM 124 N VAL A 11 6.676 -0.346 4.566 1.00 0.00 N ATOM 125 CA VAL A 11 6.076 -0.792 5.817 1.00 0.00 C ATOM 126 C VAL A 11 5.159 0.278 6.400 1.00 0.00 C ATOM 127 O VAL A 11 5.485 1.464 6.385 1.00 0.00 O ATOM 128 CB VAL A 11 7.152 -1.153 6.858 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.981 0.072 7.216 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.511 -1.754 8.100 1.00 0.00 C ATOM 0 H VAL A 11 7.356 0.407 4.669 1.00 0.00 H new ATOM 0 HA VAL A 11 5.490 -1.682 5.587 1.00 0.00 H new ATOM 0 HB VAL A 11 7.818 -1.899 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.736 -0.202 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.470 0.455 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.331 0.842 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.286 -2.003 8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.822 -1.033 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.966 -2.657 7.827 1.00 0.00 H new ATOM 140 N ALA A 12 4.010 -0.151 6.913 1.00 0.00 N ATOM 141 CA ALA A 12 3.047 0.770 7.503 1.00 0.00 C ATOM 142 C ALA A 12 3.426 1.115 8.939 1.00 0.00 C ATOM 143 O ALA A 12 3.295 0.288 9.842 1.00 0.00 O ATOM 144 CB ALA A 12 1.648 0.174 7.452 1.00 0.00 C ATOM 0 H ALA A 12 3.724 -1.130 6.932 1.00 0.00 H new ATOM 0 HA ALA A 12 3.059 1.692 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.939 0.872 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.371 -0.015 6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.631 -0.763 8.008 1.00 0.00 H new ATOM 150 N LEU A 13 3.896 2.341 9.144 1.00 0.00 N ATOM 151 CA LEU A 13 4.295 2.795 10.471 1.00 0.00 C ATOM 152 C LEU A 13 3.087 2.900 11.397 1.00 0.00 C ATOM 153 O LEU A 13 3.188 2.647 12.597 1.00 0.00 O ATOM 154 CB LEU A 13 4.999 4.150 10.378 1.00 0.00 C ATOM 155 CG LEU A 13 6.247 4.198 9.495 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.451 5.597 8.935 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.472 3.751 10.279 1.00 0.00 C ATOM 0 H LEU A 13 4.010 3.038 8.408 1.00 0.00 H new ATOM 0 HA LEU A 13 4.986 2.061 10.886 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.285 4.883 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.278 4.462 11.384 1.00 0.00 H new ATOM 0 HG LEU A 13 6.105 3.512 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.343 5.612 8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.584 5.880 8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.572 6.304 9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.351 3.791 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.618 4.411 11.134 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.326 2.730 10.630 1.00 0.00 H new ATOM 169 N PHE A 14 1.944 3.272 10.830 1.00 0.00 N ATOM 170 CA PHE A 14 0.716 3.409 11.603 1.00 0.00 C ATOM 171 C PHE A 14 -0.459 2.758 10.879 1.00 0.00 C ATOM 172 O PHE A 14 -0.356 2.397 9.706 1.00 0.00 O ATOM 173 CB PHE A 14 0.414 4.886 11.863 1.00 0.00 C ATOM 174 CG PHE A 14 1.628 5.691 12.229 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.086 5.723 13.536 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.311 6.416 11.266 1.00 0.00 C ATOM 177 CE1 PHE A 14 3.203 6.462 13.877 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.429 7.156 11.600 1.00 0.00 C ATOM 179 CZ PHE A 14 3.875 7.181 12.907 1.00 0.00 C ATOM 0 H PHE A 14 1.843 3.484 9.837 1.00 0.00 H new ATOM 0 HA PHE A 14 0.859 2.901 12.557 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.043 5.317 10.972 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.319 4.963 12.666 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.564 5.164 14.298 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.966 6.403 10.243 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.550 6.478 14.900 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.954 7.715 10.839 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.747 7.761 13.170 1.00 0.00 H new ATOM 189 N ASP A 15 -1.574 2.610 11.586 1.00 0.00 N ATOM 190 CA ASP A 15 -2.769 2.003 11.011 1.00 0.00 C ATOM 191 C ASP A 15 -3.598 3.041 10.261 1.00 0.00 C ATOM 192 O ASP A 15 -3.744 4.178 10.711 1.00 0.00 O ATOM 193 CB ASP A 15 -3.614 1.353 12.108 1.00 0.00 C ATOM 194 CG ASP A 15 -2.780 0.529 13.069 1.00 0.00 C ATOM 195 OD1 ASP A 15 -1.831 1.087 13.658 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.076 -0.673 13.232 1.00 0.00 O ATOM 0 H ASP A 15 -1.675 2.902 12.558 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.453 1.236 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.143 2.128 12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.371 0.716 11.650 1.00 0.00 H new ATOM 201 N TYR A 16 -4.139 2.642 9.115 1.00 0.00 N ATOM 202 CA TYR A 16 -4.950 3.538 8.300 1.00 0.00 C ATOM 203 C TYR A 16 -6.270 2.878 7.914 1.00 0.00 C ATOM 204 O TYR A 16 -6.334 1.666 7.712 1.00 0.00 O ATOM 205 CB TYR A 16 -4.186 3.950 7.041 1.00 0.00 C ATOM 206 CG TYR A 16 -5.047 4.641 6.008 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.874 3.911 5.163 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.034 6.024 5.877 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.662 4.538 4.218 1.00 0.00 C ATOM 210 CE2 TYR A 16 -5.819 6.660 4.935 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.632 5.913 4.108 1.00 0.00 C ATOM 212 OH TYR A 16 -7.415 6.542 3.168 1.00 0.00 O ATOM 0 H TYR A 16 -4.030 1.704 8.730 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.168 4.427 8.891 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.369 4.614 7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.737 3.064 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.901 2.835 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.399 6.612 6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.298 3.955 3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.796 7.736 4.846 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.018 6.425 2.280 1.00 0.00 H new ATOM 222 N GLN A 17 -7.321 3.686 7.814 1.00 0.00 N ATOM 223 CA GLN A 17 -8.641 3.180 7.452 1.00 0.00 C ATOM 224 C GLN A 17 -9.147 3.845 6.177 1.00 0.00 C ATOM 225 O GLN A 17 -9.375 5.054 6.143 1.00 0.00 O ATOM 226 CB GLN A 17 -9.631 3.418 8.593 1.00 0.00 C ATOM 227 CG GLN A 17 -11.043 2.948 8.281 1.00 0.00 C ATOM 228 CD GLN A 17 -11.822 2.574 9.526 1.00 0.00 C ATOM 229 OE1 GLN A 17 -12.062 1.396 9.792 1.00 0.00 O ATOM 230 NE2 GLN A 17 -12.222 3.578 10.298 1.00 0.00 N ATOM 0 H GLN A 17 -7.285 4.692 7.978 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.556 2.108 7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.275 2.904 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.654 4.482 8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.575 3.736 7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.996 2.087 7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.001 4.540 10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.750 3.387 11.150 1.00 0.00 H new ATOM 239 N ALA A 18 -9.321 3.047 5.128 1.00 0.00 N ATOM 240 CA ALA A 18 -9.803 3.559 3.851 1.00 0.00 C ATOM 241 C ALA A 18 -11.293 3.876 3.913 1.00 0.00 C ATOM 242 O ALA A 18 -12.130 2.974 3.904 1.00 0.00 O ATOM 243 CB ALA A 18 -9.520 2.556 2.741 1.00 0.00 C ATOM 0 H ALA A 18 -9.135 2.044 5.138 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.271 4.485 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.885 2.950 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.446 2.382 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.026 1.616 2.962 1.00 0.00 H new ATOM 249 N ARG A 19 -11.617 5.163 3.977 1.00 0.00 N ATOM 250 CA ARG A 19 -13.006 5.599 4.042 1.00 0.00 C ATOM 251 C ARG A 19 -13.774 5.156 2.800 1.00 0.00 C ATOM 252 O ARG A 19 -14.886 4.635 2.897 1.00 0.00 O ATOM 253 CB ARG A 19 -13.079 7.121 4.185 1.00 0.00 C ATOM 254 CG ARG A 19 -12.342 7.655 5.402 1.00 0.00 C ATOM 255 CD ARG A 19 -12.945 8.964 5.888 1.00 0.00 C ATOM 256 NE ARG A 19 -12.284 9.456 7.093 1.00 0.00 N ATOM 257 CZ ARG A 19 -12.761 10.445 7.842 1.00 0.00 C ATOM 258 NH1 ARG A 19 -13.897 11.042 7.510 1.00 0.00 N ATOM 259 NH2 ARG A 19 -12.102 10.836 8.925 1.00 0.00 N ATOM 0 H ARG A 19 -10.936 5.922 3.985 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.465 5.137 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.664 7.582 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.125 7.422 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.378 6.917 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.291 7.807 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.868 9.713 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.007 8.822 6.089 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.408 9.017 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.406 10.743 6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.262 11.801 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.228 10.378 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.469 11.595 9.499 1.00 0.00 H new ATOM 273 N THR A 20 -13.174 5.368 1.633 1.00 0.00 N ATOM 274 CA THR A 20 -13.802 4.992 0.372 1.00 0.00 C ATOM 275 C THR A 20 -13.144 3.752 -0.221 1.00 0.00 C ATOM 276 O THR A 20 -12.171 3.232 0.325 1.00 0.00 O ATOM 277 CB THR A 20 -13.730 6.139 -0.654 1.00 0.00 C ATOM 278 OG1 THR A 20 -12.364 6.435 -0.963 1.00 0.00 O ATOM 279 CG2 THR A 20 -14.417 7.386 -0.120 1.00 0.00 C ATOM 0 H THR A 20 -12.254 5.798 1.535 1.00 0.00 H new ATOM 0 HA THR A 20 -14.848 4.775 0.591 1.00 0.00 H new ATOM 0 HB THR A 20 -14.245 5.820 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.327 7.164 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.353 8.182 -0.862 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.464 7.165 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.926 7.706 0.799 1.00 0.00 H new ATOM 287 N ALA A 21 -13.680 3.283 -1.343 1.00 0.00 N ATOM 288 CA ALA A 21 -13.142 2.105 -2.013 1.00 0.00 C ATOM 289 C ALA A 21 -11.833 2.428 -2.725 1.00 0.00 C ATOM 290 O ALA A 21 -10.862 1.679 -2.627 1.00 0.00 O ATOM 291 CB ALA A 21 -14.158 1.548 -2.999 1.00 0.00 C ATOM 0 H ALA A 21 -14.486 3.701 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.936 1.349 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.743 0.669 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.067 1.270 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.393 2.306 -3.746 1.00 0.00 H new ATOM 297 N GLU A 22 -11.815 3.547 -3.442 1.00 0.00 N ATOM 298 CA GLU A 22 -10.625 3.967 -4.172 1.00 0.00 C ATOM 299 C GLU A 22 -9.373 3.798 -3.315 1.00 0.00 C ATOM 300 O GLU A 22 -8.333 3.352 -3.798 1.00 0.00 O ATOM 301 CB GLU A 22 -10.759 5.426 -4.615 1.00 0.00 C ATOM 302 CG GLU A 22 -11.658 5.613 -5.826 1.00 0.00 C ATOM 303 CD GLU A 22 -11.412 4.573 -6.902 1.00 0.00 C ATOM 304 OE1 GLU A 22 -10.249 4.429 -7.334 1.00 0.00 O ATOM 305 OE2 GLU A 22 -12.383 3.903 -7.311 1.00 0.00 O ATOM 0 H GLU A 22 -12.611 4.179 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.529 3.334 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.153 6.014 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.769 5.820 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.700 5.565 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.497 6.607 -6.243 1.00 0.00 H new ATOM 312 N ASP A 23 -9.483 4.158 -2.041 1.00 0.00 N ATOM 313 CA ASP A 23 -8.361 4.046 -1.115 1.00 0.00 C ATOM 314 C ASP A 23 -8.247 2.626 -0.569 1.00 0.00 C ATOM 315 O ASP A 23 -9.162 1.816 -0.721 1.00 0.00 O ATOM 316 CB ASP A 23 -8.523 5.038 0.038 1.00 0.00 C ATOM 317 CG ASP A 23 -7.940 6.400 -0.284 1.00 0.00 C ATOM 318 OD1 ASP A 23 -8.651 7.218 -0.905 1.00 0.00 O ATOM 319 OD2 ASP A 23 -6.774 6.648 0.086 1.00 0.00 O ATOM 0 H ASP A 23 -10.337 4.530 -1.626 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.447 4.281 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.582 5.146 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.036 4.639 0.928 1.00 0.00 H new ATOM 324 N LEU A 24 -7.118 2.332 0.065 1.00 0.00 N ATOM 325 CA LEU A 24 -6.883 1.009 0.634 1.00 0.00 C ATOM 326 C LEU A 24 -6.763 1.082 2.153 1.00 0.00 C ATOM 327 O LEU A 24 -6.421 2.126 2.709 1.00 0.00 O ATOM 328 CB LEU A 24 -5.614 0.395 0.040 1.00 0.00 C ATOM 329 CG LEU A 24 -5.357 -1.074 0.378 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.267 -1.977 -0.441 1.00 0.00 C ATOM 331 CD2 LEU A 24 -3.896 -1.429 0.139 1.00 0.00 C ATOM 0 H LEU A 24 -6.351 2.991 0.198 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.736 0.377 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.659 0.495 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.759 0.980 0.378 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.580 -1.228 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.070 -3.019 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.308 -1.740 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.076 -1.820 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.732 -2.478 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.647 -1.258 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.262 -0.805 0.769 1.00 0.00 H new ATOM 343 N SER A 25 -7.045 -0.034 2.818 1.00 0.00 N ATOM 344 CA SER A 25 -6.971 -0.096 4.273 1.00 0.00 C ATOM 345 C SER A 25 -5.866 -1.048 4.720 1.00 0.00 C ATOM 346 O SER A 25 -5.795 -2.191 4.270 1.00 0.00 O ATOM 347 CB SER A 25 -8.313 -0.545 4.854 1.00 0.00 C ATOM 348 OG SER A 25 -8.563 -1.909 4.565 1.00 0.00 O ATOM 0 H SER A 25 -7.327 -0.907 2.372 1.00 0.00 H new ATOM 0 HA SER A 25 -6.739 0.902 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.315 -0.392 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.114 0.070 4.444 1.00 0.00 H new ATOM 0 HG SER A 25 -7.712 -2.381 4.451 1.00 0.00 H new ATOM 354 N PHE A 26 -5.004 -0.567 5.610 1.00 0.00 N ATOM 355 CA PHE A 26 -3.900 -1.373 6.119 1.00 0.00 C ATOM 356 C PHE A 26 -3.689 -1.127 7.610 1.00 0.00 C ATOM 357 O PHE A 26 -4.300 -0.232 8.195 1.00 0.00 O ATOM 358 CB PHE A 26 -2.614 -1.058 5.351 1.00 0.00 C ATOM 359 CG PHE A 26 -2.228 0.392 5.399 1.00 0.00 C ATOM 360 CD1 PHE A 26 -2.784 1.301 4.513 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.307 0.847 6.329 1.00 0.00 C ATOM 362 CE1 PHE A 26 -2.431 2.637 4.555 1.00 0.00 C ATOM 363 CE2 PHE A 26 -0.950 2.181 6.376 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.511 3.077 5.487 1.00 0.00 C ATOM 0 H PHE A 26 -5.049 0.377 5.994 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.153 -2.423 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.800 -1.656 5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.739 -1.358 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.502 0.962 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.863 0.151 7.025 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.874 3.336 3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.233 2.523 7.107 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.231 4.120 5.520 1.00 0.00 H new ATOM 374 N ARG A 27 -2.821 -1.928 8.218 1.00 0.00 N ATOM 375 CA ARG A 27 -2.530 -1.799 9.641 1.00 0.00 C ATOM 376 C ARG A 27 -1.042 -1.549 9.872 1.00 0.00 C ATOM 377 O ARG A 27 -0.229 -1.699 8.960 1.00 0.00 O ATOM 378 CB ARG A 27 -2.968 -3.059 10.389 1.00 0.00 C ATOM 379 CG ARG A 27 -4.477 -3.222 10.476 1.00 0.00 C ATOM 380 CD ARG A 27 -5.057 -2.432 11.638 1.00 0.00 C ATOM 381 NE ARG A 27 -6.380 -2.915 12.023 1.00 0.00 N ATOM 382 CZ ARG A 27 -6.602 -4.122 12.532 1.00 0.00 C ATOM 383 NH1 ARG A 27 -5.594 -4.963 12.717 1.00 0.00 N ATOM 384 NH2 ARG A 27 -7.835 -4.489 12.857 1.00 0.00 N ATOM 0 H ARG A 27 -2.307 -2.673 7.748 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.088 -0.945 10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.545 -3.932 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.555 -3.035 11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.934 -2.889 9.544 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.724 -4.277 10.593 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.384 -2.498 12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.121 -1.379 11.364 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.177 -2.292 11.894 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.645 -4.684 12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.768 -5.889 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.613 -3.844 12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.005 -5.416 13.248 1.00 0.00 H new ATOM 398 N ALA A 28 -0.694 -1.168 11.096 1.00 0.00 N ATOM 399 CA ALA A 28 0.695 -0.899 11.447 1.00 0.00 C ATOM 400 C ALA A 28 1.552 -2.152 11.294 1.00 0.00 C ATOM 401 O ALA A 28 1.463 -3.078 12.099 1.00 0.00 O ATOM 402 CB ALA A 28 0.787 -0.364 12.868 1.00 0.00 C ATOM 0 H ALA A 28 -1.355 -1.038 11.862 1.00 0.00 H new ATOM 0 HA ALA A 28 1.077 -0.143 10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.830 -0.168 13.116 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.215 0.561 12.946 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.382 -1.101 13.561 1.00 0.00 H new ATOM 408 N GLY A 29 2.382 -2.173 10.255 1.00 0.00 N ATOM 409 CA GLY A 29 3.242 -3.317 10.016 1.00 0.00 C ATOM 410 C GLY A 29 2.963 -3.984 8.684 1.00 0.00 C ATOM 411 O GLY A 29 3.886 -4.412 7.991 1.00 0.00 O ATOM 0 H GLY A 29 2.474 -1.418 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.284 -2.997 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.107 -4.043 10.818 1.00 0.00 H new ATOM 415 N ASP A 30 1.687 -4.073 8.324 1.00 0.00 N ATOM 416 CA ASP A 30 1.289 -4.693 7.066 1.00 0.00 C ATOM 417 C ASP A 30 2.274 -4.347 5.954 1.00 0.00 C ATOM 418 O ASP A 30 2.699 -3.199 5.821 1.00 0.00 O ATOM 419 CB ASP A 30 -0.119 -4.243 6.674 1.00 0.00 C ATOM 420 CG ASP A 30 -0.856 -5.290 5.862 1.00 0.00 C ATOM 421 OD1 ASP A 30 -0.185 -6.145 5.247 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.104 -5.253 5.840 1.00 0.00 O ATOM 0 H ASP A 30 0.911 -3.723 8.886 1.00 0.00 H new ATOM 0 HA ASP A 30 1.291 -5.774 7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.690 -4.018 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.055 -3.320 6.098 1.00 0.00 H new ATOM 427 N LYS A 31 2.635 -5.347 5.158 1.00 0.00 N ATOM 428 CA LYS A 31 3.570 -5.151 4.057 1.00 0.00 C ATOM 429 C LYS A 31 2.834 -4.754 2.781 1.00 0.00 C ATOM 430 O LYS A 31 2.061 -5.538 2.229 1.00 0.00 O ATOM 431 CB LYS A 31 4.381 -6.426 3.814 1.00 0.00 C ATOM 432 CG LYS A 31 5.237 -6.837 4.999 1.00 0.00 C ATOM 433 CD LYS A 31 6.457 -5.943 5.142 1.00 0.00 C ATOM 434 CE LYS A 31 7.633 -6.470 4.334 1.00 0.00 C ATOM 435 NZ LYS A 31 8.373 -7.538 5.062 1.00 0.00 N ATOM 0 H LYS A 31 2.294 -6.303 5.255 1.00 0.00 H new ATOM 0 HA LYS A 31 4.248 -4.343 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.698 -7.240 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.024 -6.278 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.643 -6.792 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.556 -7.872 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.210 -4.934 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.738 -5.875 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.273 -6.862 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.313 -5.649 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.167 -7.870 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.738 -7.158 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.731 -8.333 5.259 1.00 0.00 H new ATOM 449 N LEU A 32 3.079 -3.533 2.317 1.00 0.00 N ATOM 450 CA LEU A 32 2.440 -3.033 1.105 1.00 0.00 C ATOM 451 C LEU A 32 3.479 -2.695 0.041 1.00 0.00 C ATOM 452 O LEU A 32 4.455 -1.996 0.314 1.00 0.00 O ATOM 453 CB LEU A 32 1.597 -1.796 1.423 1.00 0.00 C ATOM 454 CG LEU A 32 0.579 -1.949 2.553 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.330 -0.612 3.233 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.723 -2.531 2.023 1.00 0.00 C ATOM 0 H LEU A 32 3.715 -2.872 2.762 1.00 0.00 H new ATOM 0 HA LEU A 32 1.791 -3.817 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.271 -0.977 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.064 -1.502 0.519 1.00 0.00 H new ATOM 0 HG LEU A 32 0.987 -2.638 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.397 -0.741 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.265 -0.235 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.056 0.101 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.436 -2.633 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.135 -1.867 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.532 -3.510 1.584 1.00 0.00 H new ATOM 468 N GLN A 33 3.261 -3.194 -1.171 1.00 0.00 N ATOM 469 CA GLN A 33 4.179 -2.943 -2.276 1.00 0.00 C ATOM 470 C GLN A 33 3.706 -1.763 -3.119 1.00 0.00 C ATOM 471 O GLN A 33 2.618 -1.793 -3.693 1.00 0.00 O ATOM 472 CB GLN A 33 4.309 -4.190 -3.152 1.00 0.00 C ATOM 473 CG GLN A 33 5.201 -3.990 -4.366 1.00 0.00 C ATOM 474 CD GLN A 33 5.037 -5.088 -5.398 1.00 0.00 C ATOM 475 OE1 GLN A 33 4.913 -6.265 -5.056 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.034 -4.709 -6.671 1.00 0.00 N ATOM 0 H GLN A 33 2.458 -3.774 -1.413 1.00 0.00 H new ATOM 0 HA GLN A 33 5.155 -2.699 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.707 -5.007 -2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.317 -4.494 -3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.973 -3.028 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.242 -3.951 -4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.140 -3.723 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.926 -5.404 -7.410 1.00 0.00 H new ATOM 485 N VAL A 34 4.531 -0.723 -3.188 1.00 0.00 N ATOM 486 CA VAL A 34 4.198 0.467 -3.962 1.00 0.00 C ATOM 487 C VAL A 34 4.289 0.193 -5.459 1.00 0.00 C ATOM 488 O VAL A 34 5.309 -0.290 -5.952 1.00 0.00 O ATOM 489 CB VAL A 34 5.128 1.644 -3.609 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.762 2.876 -4.423 1.00 0.00 C ATOM 491 CG2 VAL A 34 5.067 1.942 -2.119 1.00 0.00 C ATOM 0 H VAL A 34 5.435 -0.681 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 34 3.173 0.734 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 34 6.151 1.364 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.429 3.697 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.862 2.653 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.733 3.162 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.730 2.776 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.046 2.202 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.382 1.062 -1.559 1.00 0.00 H new ATOM 501 N LEU A 35 3.216 0.506 -6.177 1.00 0.00 N ATOM 502 CA LEU A 35 3.174 0.294 -7.620 1.00 0.00 C ATOM 503 C LEU A 35 3.304 1.616 -8.369 1.00 0.00 C ATOM 504 O LEU A 35 4.170 1.770 -9.230 1.00 0.00 O ATOM 505 CB LEU A 35 1.870 -0.402 -8.015 1.00 0.00 C ATOM 506 CG LEU A 35 1.500 -1.645 -7.204 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.005 -1.859 -7.213 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.219 -2.870 -7.750 1.00 0.00 C ATOM 0 H LEU A 35 2.364 0.907 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 35 4.016 -0.342 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.057 0.319 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.936 -0.685 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 35 1.818 -1.492 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.250 -2.748 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.499 -0.991 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.348 -1.992 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.944 -3.745 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.932 -3.027 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.296 -2.716 -7.690 1.00 0.00 H new ATOM 520 N ASP A 36 2.441 2.568 -8.033 1.00 0.00 N ATOM 521 CA ASP A 36 2.462 3.879 -8.671 1.00 0.00 C ATOM 522 C ASP A 36 2.863 4.962 -7.674 1.00 0.00 C ATOM 523 O ASP A 36 2.356 5.008 -6.552 1.00 0.00 O ATOM 524 CB ASP A 36 1.091 4.201 -9.268 1.00 0.00 C ATOM 525 CG ASP A 36 1.185 5.124 -10.468 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.585 4.649 -11.552 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.858 6.320 -10.323 1.00 0.00 O ATOM 0 H ASP A 36 1.718 2.456 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 36 3.202 3.855 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.600 3.274 -9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.465 4.664 -8.505 1.00 0.00 H new ATOM 532 N THR A 37 3.777 5.833 -8.089 1.00 0.00 N ATOM 533 CA THR A 37 4.248 6.915 -7.233 1.00 0.00 C ATOM 534 C THR A 37 4.202 8.253 -7.962 1.00 0.00 C ATOM 535 O THR A 37 5.114 9.070 -7.837 1.00 0.00 O ATOM 536 CB THR A 37 5.686 6.658 -6.744 1.00 0.00 C ATOM 537 OG1 THR A 37 6.588 6.651 -7.856 1.00 0.00 O ATOM 538 CG2 THR A 37 5.777 5.333 -6.002 1.00 0.00 C ATOM 0 H THR A 37 4.206 5.810 -9.014 1.00 0.00 H new ATOM 0 HA THR A 37 3.580 6.951 -6.372 1.00 0.00 H new ATOM 0 HB THR A 37 5.962 7.459 -6.059 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.500 6.489 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.802 5.174 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.111 5.353 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.483 4.522 -6.668 1.00 0.00 H new ATOM 546 N SER A 38 3.134 8.471 -8.722 1.00 0.00 N ATOM 547 CA SER A 38 2.971 9.710 -9.474 1.00 0.00 C ATOM 548 C SER A 38 2.574 10.857 -8.550 1.00 0.00 C ATOM 549 O SER A 38 3.359 11.774 -8.307 1.00 0.00 O ATOM 550 CB SER A 38 1.916 9.533 -10.568 1.00 0.00 C ATOM 551 OG SER A 38 2.496 9.024 -11.757 1.00 0.00 O ATOM 0 H SER A 38 2.369 7.806 -8.834 1.00 0.00 H new ATOM 0 HA SER A 38 3.927 9.953 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.137 8.855 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.437 10.490 -10.774 1.00 0.00 H new ATOM 0 HG SER A 38 1.802 8.918 -12.440 1.00 0.00 H new ATOM 557 N HIS A 39 1.349 10.799 -8.038 1.00 0.00 N ATOM 558 CA HIS A 39 0.846 11.833 -7.140 1.00 0.00 C ATOM 559 C HIS A 39 1.706 11.927 -5.883 1.00 0.00 C ATOM 560 O HIS A 39 1.899 10.937 -5.177 1.00 0.00 O ATOM 561 CB HIS A 39 -0.606 11.544 -6.757 1.00 0.00 C ATOM 562 CG HIS A 39 -1.314 12.721 -6.160 1.00 0.00 C ATOM 563 ND1 HIS A 39 -2.585 13.104 -6.533 1.00 0.00 N ATOM 564 CD2 HIS A 39 -0.922 13.600 -5.209 1.00 0.00 C ATOM 565 CE1 HIS A 39 -2.943 14.169 -5.839 1.00 0.00 C ATOM 566 NE2 HIS A 39 -1.952 14.490 -5.027 1.00 0.00 N ATOM 0 H HIS A 39 0.686 10.048 -8.229 1.00 0.00 H new ATOM 0 HA HIS A 39 0.893 12.788 -7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.148 11.216 -7.644 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.628 10.718 -6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.025 13.601 -4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.886 14.689 -5.921 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.952 15.272 -4.372 1.00 0.00 H new ATOM 575 N GLU A 40 2.220 13.122 -5.611 1.00 0.00 N ATOM 576 CA GLU A 40 3.061 13.343 -4.441 1.00 0.00 C ATOM 577 C GLU A 40 2.243 13.244 -3.156 1.00 0.00 C ATOM 578 O GLU A 40 1.573 14.197 -2.760 1.00 0.00 O ATOM 579 CB GLU A 40 3.739 14.712 -4.523 1.00 0.00 C ATOM 580 CG GLU A 40 4.922 14.750 -5.476 1.00 0.00 C ATOM 581 CD GLU A 40 4.514 15.075 -6.900 1.00 0.00 C ATOM 582 OE1 GLU A 40 3.502 15.784 -7.080 1.00 0.00 O ATOM 583 OE2 GLU A 40 5.208 14.621 -7.833 1.00 0.00 O ATOM 0 H GLU A 40 2.069 13.952 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 40 3.827 12.567 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.005 15.453 -4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.076 15.001 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.640 15.494 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.429 13.785 -5.458 1.00 0.00 H new ATOM 590 N GLY A 41 2.303 12.083 -2.511 1.00 0.00 N ATOM 591 CA GLY A 41 1.563 11.881 -1.279 1.00 0.00 C ATOM 592 C GLY A 41 0.826 10.556 -1.256 1.00 0.00 C ATOM 593 O GLY A 41 1.100 9.701 -0.414 1.00 0.00 O ATOM 0 H GLY A 41 2.850 11.279 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.251 11.926 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.848 12.693 -1.151 1.00 0.00 H new ATOM 597 N TRP A 42 -0.110 10.386 -2.182 1.00 0.00 N ATOM 598 CA TRP A 42 -0.889 9.156 -2.264 1.00 0.00 C ATOM 599 C TRP A 42 -0.296 8.203 -3.296 1.00 0.00 C ATOM 600 O TRP A 42 -0.260 8.508 -4.488 1.00 0.00 O ATOM 601 CB TRP A 42 -2.343 9.471 -2.620 1.00 0.00 C ATOM 602 CG TRP A 42 -3.036 10.316 -1.594 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.059 11.681 -1.536 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.803 9.852 -0.477 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.795 12.093 -0.451 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.263 10.990 0.214 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.148 8.587 0.004 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.047 10.898 1.361 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.927 8.497 1.142 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.370 9.646 1.810 1.00 0.00 C ATOM 0 H TRP A 42 -0.348 11.084 -2.887 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.858 8.671 -1.288 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.371 9.983 -3.582 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.891 8.536 -2.741 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.571 12.339 -2.239 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.965 13.063 -0.184 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.812 7.695 -0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.388 11.783 1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.199 7.524 1.523 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.978 9.542 2.696 1.00 0.00 H new ATOM 621 N TRP A 43 0.168 7.049 -2.831 1.00 0.00 N ATOM 622 CA TRP A 43 0.760 6.051 -3.715 1.00 0.00 C ATOM 623 C TRP A 43 -0.187 4.874 -3.919 1.00 0.00 C ATOM 624 O TRP A 43 -1.006 4.565 -3.051 1.00 0.00 O ATOM 625 CB TRP A 43 2.090 5.558 -3.144 1.00 0.00 C ATOM 626 CG TRP A 43 3.124 6.638 -3.028 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.098 7.864 -3.628 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.336 6.586 -2.268 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.221 8.578 -3.287 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.996 7.817 -2.453 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.927 5.621 -1.448 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.217 8.104 -1.848 1.00 0.00 C ATOM 633 CZ3 TRP A 43 6.138 5.908 -0.849 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.772 7.141 -1.050 1.00 0.00 C ATOM 0 H TRP A 43 0.146 6.781 -1.847 1.00 0.00 H new ATOM 0 HA TRP A 43 0.940 6.520 -4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.916 5.124 -2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.477 4.761 -3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.310 8.220 -4.275 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.442 9.522 -3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.446 4.668 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.708 9.053 -2.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.604 5.169 -0.215 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.717 7.335 -0.566 1.00 0.00 H new ATOM 645 N LEU A 44 -0.072 4.219 -5.069 1.00 0.00 N ATOM 646 CA LEU A 44 -0.919 3.075 -5.386 1.00 0.00 C ATOM 647 C LEU A 44 -0.203 1.764 -5.073 1.00 0.00 C ATOM 648 O LEU A 44 0.589 1.271 -5.876 1.00 0.00 O ATOM 649 CB LEU A 44 -1.324 3.108 -6.861 1.00 0.00 C ATOM 650 CG LEU A 44 -2.043 1.866 -7.388 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.437 1.762 -6.789 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.114 1.895 -8.908 1.00 0.00 C ATOM 0 H LEU A 44 0.600 4.461 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.815 3.135 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.969 3.972 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.427 3.265 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.474 0.986 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.934 0.872 -7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.362 1.693 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.015 2.646 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.629 1.003 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.659 2.782 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.105 1.920 -9.319 1.00 0.00 H new ATOM 664 N ALA A 45 -0.489 1.205 -3.902 1.00 0.00 N ATOM 665 CA ALA A 45 0.124 -0.050 -3.485 1.00 0.00 C ATOM 666 C ALA A 45 -0.916 -1.160 -3.378 1.00 0.00 C ATOM 667 O ALA A 45 -2.118 -0.896 -3.344 1.00 0.00 O ATOM 668 CB ALA A 45 0.845 0.130 -2.158 1.00 0.00 C ATOM 0 H ALA A 45 -1.141 1.601 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 45 0.850 -0.341 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.298 -0.815 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.622 0.887 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.132 0.448 -1.397 1.00 0.00 H new ATOM 674 N ARG A 46 -0.446 -2.402 -3.326 1.00 0.00 N ATOM 675 CA ARG A 46 -1.336 -3.552 -3.225 1.00 0.00 C ATOM 676 C ARG A 46 -0.975 -4.415 -2.019 1.00 0.00 C ATOM 677 O ARG A 46 0.151 -4.367 -1.523 1.00 0.00 O ATOM 678 CB ARG A 46 -1.269 -4.390 -4.503 1.00 0.00 C ATOM 679 CG ARG A 46 0.046 -5.130 -4.678 1.00 0.00 C ATOM 680 CD ARG A 46 -0.051 -6.192 -5.762 1.00 0.00 C ATOM 681 NE ARG A 46 0.041 -5.617 -7.101 1.00 0.00 N ATOM 682 CZ ARG A 46 0.070 -6.345 -8.212 1.00 0.00 C ATOM 683 NH1 ARG A 46 0.012 -7.667 -8.144 1.00 0.00 N ATOM 684 NH2 ARG A 46 0.155 -5.749 -9.395 1.00 0.00 N ATOM 0 H ARG A 46 0.546 -2.637 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.353 -3.182 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.085 -5.113 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.427 -3.739 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.833 -4.420 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.330 -5.597 -3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.746 -6.923 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.995 -6.727 -5.661 1.00 0.00 H new ATOM 0 HE ARG A 46 0.085 -4.602 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.055 -8.129 -7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.034 -8.223 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.198 -4.731 -9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.177 -6.309 -10.248 1.00 0.00 H new ATOM 698 N HIS A 47 -1.938 -5.203 -1.551 1.00 0.00 N ATOM 699 CA HIS A 47 -1.722 -6.076 -0.404 1.00 0.00 C ATOM 700 C HIS A 47 -0.777 -7.220 -0.762 1.00 0.00 C ATOM 701 O HIS A 47 -0.988 -7.927 -1.748 1.00 0.00 O ATOM 702 CB HIS A 47 -3.054 -6.637 0.096 1.00 0.00 C ATOM 703 CG HIS A 47 -3.711 -5.782 1.135 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.171 -5.567 2.385 1.00 0.00 N ATOM 705 CD2 HIS A 47 -4.871 -5.085 1.104 1.00 0.00 C ATOM 706 CE1 HIS A 47 -3.970 -4.776 3.078 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.010 -4.469 2.323 1.00 0.00 N ATOM 0 H HIS A 47 -2.876 -5.254 -1.949 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.265 -5.485 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.731 -6.751 -0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.888 -7.632 0.508 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.560 -5.025 0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.802 -4.438 4.090 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.789 -3.872 2.601 1.00 0.00 H new ATOM 716 N LEU A 48 0.264 -7.395 0.045 1.00 0.00 N ATOM 717 CA LEU A 48 1.242 -8.452 -0.187 1.00 0.00 C ATOM 718 C LEU A 48 0.892 -9.702 0.614 1.00 0.00 C ATOM 719 O LEU A 48 1.079 -10.824 0.144 1.00 0.00 O ATOM 720 CB LEU A 48 2.644 -7.968 0.186 1.00 0.00 C ATOM 721 CG LEU A 48 3.165 -6.759 -0.590 1.00 0.00 C ATOM 722 CD1 LEU A 48 4.382 -6.165 0.101 1.00 0.00 C ATOM 723 CD2 LEU A 48 3.501 -7.148 -2.023 1.00 0.00 C ATOM 0 H LEU A 48 0.452 -6.819 0.865 1.00 0.00 H new ATOM 0 HA LEU A 48 1.223 -8.705 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.652 -7.723 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.341 -8.794 0.044 1.00 0.00 H new ATOM 0 HG LEU A 48 2.381 -6.003 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.739 -5.305 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.110 -5.848 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.171 -6.915 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.870 -6.274 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.268 -7.923 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.606 -7.526 -2.517 1.00 0.00 H new ATOM 735 N GLU A 49 0.383 -9.500 1.825 1.00 0.00 N ATOM 736 CA GLU A 49 0.006 -10.611 2.690 1.00 0.00 C ATOM 737 C GLU A 49 -1.094 -11.452 2.049 1.00 0.00 C ATOM 738 O GLU A 49 -0.986 -12.675 1.961 1.00 0.00 O ATOM 739 CB GLU A 49 -0.462 -10.091 4.051 1.00 0.00 C ATOM 740 CG GLU A 49 0.671 -9.860 5.037 1.00 0.00 C ATOM 741 CD GLU A 49 0.231 -9.074 6.257 1.00 0.00 C ATOM 742 OE1 GLU A 49 -0.944 -9.211 6.659 1.00 0.00 O ATOM 743 OE2 GLU A 49 1.061 -8.322 6.809 1.00 0.00 O ATOM 0 H GLU A 49 0.222 -8.577 2.229 1.00 0.00 H new ATOM 0 HA GLU A 49 0.884 -11.241 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.003 -9.156 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.166 -10.804 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.073 -10.822 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.479 -9.326 4.537 1.00 0.00 H new ATOM 750 N LYS A 50 -2.154 -10.787 1.602 1.00 0.00 N ATOM 751 CA LYS A 50 -3.275 -11.470 0.968 1.00 0.00 C ATOM 752 C LYS A 50 -3.794 -12.600 1.851 1.00 0.00 C ATOM 753 O LYS A 50 -4.103 -13.689 1.367 1.00 0.00 O ATOM 754 CB LYS A 50 -2.855 -12.026 -0.395 1.00 0.00 C ATOM 755 CG LYS A 50 -2.643 -10.953 -1.450 1.00 0.00 C ATOM 756 CD LYS A 50 -3.962 -10.475 -2.033 1.00 0.00 C ATOM 757 CE LYS A 50 -4.391 -11.330 -3.215 1.00 0.00 C ATOM 758 NZ LYS A 50 -5.183 -12.515 -2.783 1.00 0.00 N ATOM 0 H LYS A 50 -2.260 -9.775 1.667 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.077 -10.745 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.933 -12.595 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.617 -12.722 -0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.112 -10.109 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.013 -11.346 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.733 -10.504 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.866 -9.436 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.984 -10.728 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.509 -11.662 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.869 -12.763 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.544 -13.319 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.690 -12.292 -1.903 1.00 0.00 H new ATOM 772 N LYS A 51 -3.889 -12.333 3.150 1.00 0.00 N ATOM 773 CA LYS A 51 -4.374 -13.326 4.101 1.00 0.00 C ATOM 774 C LYS A 51 -5.659 -12.854 4.773 1.00 0.00 C ATOM 775 O LYS A 51 -5.632 -11.995 5.653 1.00 0.00 O ATOM 776 CB LYS A 51 -3.307 -13.610 5.161 1.00 0.00 C ATOM 777 CG LYS A 51 -3.443 -14.976 5.810 1.00 0.00 C ATOM 778 CD LYS A 51 -2.571 -15.094 7.049 1.00 0.00 C ATOM 779 CE LYS A 51 -3.309 -14.632 8.296 1.00 0.00 C ATOM 780 NZ LYS A 51 -2.608 -15.049 9.542 1.00 0.00 N ATOM 0 H LYS A 51 -3.636 -11.437 3.568 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.587 -14.244 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.321 -13.531 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.361 -12.843 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.485 -15.150 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.166 -15.749 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.254 -16.129 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.668 -14.498 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.405 -13.546 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.319 -15.042 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.142 -14.715 10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.538 -16.086 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.653 -14.637 9.558 1.00 0.00 H new ATOM 794 N GLY A 52 -6.785 -13.423 4.352 1.00 0.00 N ATOM 795 CA GLY A 52 -8.065 -13.048 4.925 1.00 0.00 C ATOM 796 C GLY A 52 -8.838 -12.090 4.040 1.00 0.00 C ATOM 797 O GLY A 52 -8.731 -10.872 4.188 1.00 0.00 O ATOM 0 H GLY A 52 -6.834 -14.137 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.661 -13.945 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.902 -12.587 5.899 1.00 0.00 H new ATOM 801 N THR A 53 -9.619 -12.641 3.115 1.00 0.00 N ATOM 802 CA THR A 53 -10.411 -11.827 2.201 1.00 0.00 C ATOM 803 C THR A 53 -11.882 -11.826 2.600 1.00 0.00 C ATOM 804 O THR A 53 -12.437 -12.861 2.966 1.00 0.00 O ATOM 805 CB THR A 53 -10.284 -12.329 0.750 1.00 0.00 C ATOM 806 OG1 THR A 53 -10.724 -13.689 0.662 1.00 0.00 O ATOM 807 CG2 THR A 53 -8.847 -12.222 0.264 1.00 0.00 C ATOM 0 H THR A 53 -9.720 -13.647 2.979 1.00 0.00 H new ATOM 0 HA THR A 53 -10.021 -10.811 2.262 1.00 0.00 H new ATOM 0 HB THR A 53 -10.912 -11.703 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.642 -14.000 -0.264 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.782 -12.582 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.526 -11.181 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.201 -12.826 0.902 1.00 0.00 H new ATOM 815 N GLY A 54 -12.509 -10.656 2.527 1.00 0.00 N ATOM 816 CA GLY A 54 -13.911 -10.542 2.883 1.00 0.00 C ATOM 817 C GLY A 54 -14.807 -10.387 1.670 1.00 0.00 C ATOM 818 O GLY A 54 -14.809 -11.236 0.777 1.00 0.00 O ATOM 0 H GLY A 54 -12.071 -9.785 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.213 -11.427 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.047 -9.685 3.543 1.00 0.00 H new ATOM 822 N LEU A 55 -15.572 -9.302 1.637 1.00 0.00 N ATOM 823 CA LEU A 55 -16.479 -9.039 0.525 1.00 0.00 C ATOM 824 C LEU A 55 -16.152 -7.706 -0.141 1.00 0.00 C ATOM 825 O LEU A 55 -15.790 -7.659 -1.316 1.00 0.00 O ATOM 826 CB LEU A 55 -17.929 -9.036 1.012 1.00 0.00 C ATOM 827 CG LEU A 55 -18.992 -8.732 -0.044 1.00 0.00 C ATOM 828 CD1 LEU A 55 -19.385 -10.000 -0.786 1.00 0.00 C ATOM 829 CD2 LEU A 55 -20.212 -8.087 0.597 1.00 0.00 C ATOM 0 H LEU A 55 -15.583 -8.590 2.367 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.351 -9.833 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.147 -10.011 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.021 -8.302 1.813 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.571 -8.030 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.142 -9.764 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -18.508 -10.420 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.787 -10.726 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.958 -7.878 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.634 -8.765 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.919 -7.156 1.082 1.00 0.00 H new ATOM 841 N GLY A 56 -16.280 -6.623 0.620 1.00 0.00 N ATOM 842 CA GLY A 56 -15.992 -5.304 0.087 1.00 0.00 C ATOM 843 C GLY A 56 -14.677 -4.748 0.596 1.00 0.00 C ATOM 844 O GLY A 56 -14.641 -3.674 1.196 1.00 0.00 O ATOM 0 H GLY A 56 -16.578 -6.636 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.965 -5.353 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.799 -4.623 0.355 1.00 0.00 H new ATOM 848 N GLN A 57 -13.594 -5.481 0.358 1.00 0.00 N ATOM 849 CA GLN A 57 -12.271 -5.055 0.799 1.00 0.00 C ATOM 850 C GLN A 57 -11.256 -5.173 -0.334 1.00 0.00 C ATOM 851 O GLN A 57 -10.683 -6.238 -0.557 1.00 0.00 O ATOM 852 CB GLN A 57 -11.816 -5.891 1.996 1.00 0.00 C ATOM 853 CG GLN A 57 -12.690 -5.715 3.228 1.00 0.00 C ATOM 854 CD GLN A 57 -12.164 -6.475 4.430 1.00 0.00 C ATOM 855 OE1 GLN A 57 -11.108 -7.106 4.366 1.00 0.00 O ATOM 856 NE2 GLN A 57 -12.898 -6.418 5.534 1.00 0.00 N ATOM 0 H GLN A 57 -13.607 -6.372 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.334 -4.009 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.810 -6.943 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.790 -5.623 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.756 -4.655 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.701 -6.054 3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.766 -5.883 5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.594 -6.909 6.375 1.00 0.00 H new ATOM 865 N GLN A 58 -11.041 -4.071 -1.045 1.00 0.00 N ATOM 866 CA GLN A 58 -10.095 -4.051 -2.155 1.00 0.00 C ATOM 867 C GLN A 58 -8.754 -4.647 -1.738 1.00 0.00 C ATOM 868 O GLN A 58 -8.540 -4.963 -0.567 1.00 0.00 O ATOM 869 CB GLN A 58 -9.897 -2.621 -2.659 1.00 0.00 C ATOM 870 CG GLN A 58 -9.334 -2.545 -4.069 1.00 0.00 C ATOM 871 CD GLN A 58 -9.777 -1.298 -4.808 1.00 0.00 C ATOM 872 OE1 GLN A 58 -10.738 -0.636 -4.413 1.00 0.00 O ATOM 873 NE2 GLN A 58 -9.077 -0.968 -5.887 1.00 0.00 N ATOM 0 H GLN A 58 -11.508 -3.181 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.507 -4.658 -2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.853 -2.099 -2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.226 -2.095 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.245 -2.568 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.648 -3.426 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.288 -1.545 -6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.328 -0.138 -6.424 1.00 0.00 H new ATOM 882 N LEU A 59 -7.854 -4.798 -2.704 1.00 0.00 N ATOM 883 CA LEU A 59 -6.533 -5.356 -2.437 1.00 0.00 C ATOM 884 C LEU A 59 -5.447 -4.304 -2.639 1.00 0.00 C ATOM 885 O LEU A 59 -4.429 -4.310 -1.948 1.00 0.00 O ATOM 886 CB LEU A 59 -6.272 -6.556 -3.349 1.00 0.00 C ATOM 887 CG LEU A 59 -6.562 -6.346 -4.835 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.661 -7.229 -5.685 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.026 -6.628 -5.138 1.00 0.00 C ATOM 0 H LEU A 59 -8.015 -4.542 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.507 -5.684 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.227 -6.848 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.875 -7.393 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.354 -5.305 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.882 -7.066 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.618 -6.979 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.837 -8.275 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.214 -6.473 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.260 -7.659 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.654 -5.953 -4.556 1.00 0.00 H new ATOM 901 N GLN A 60 -5.673 -3.402 -3.588 1.00 0.00 N ATOM 902 CA GLN A 60 -4.714 -2.343 -3.879 1.00 0.00 C ATOM 903 C GLN A 60 -5.428 -1.029 -4.179 1.00 0.00 C ATOM 904 O GLN A 60 -6.445 -1.007 -4.871 1.00 0.00 O ATOM 905 CB GLN A 60 -3.829 -2.738 -5.063 1.00 0.00 C ATOM 906 CG GLN A 60 -4.498 -2.543 -6.414 1.00 0.00 C ATOM 907 CD GLN A 60 -3.518 -2.626 -7.567 1.00 0.00 C ATOM 908 OE1 GLN A 60 -2.897 -3.665 -7.796 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.373 -1.529 -8.302 1.00 0.00 N ATOM 0 H GLN A 60 -6.512 -3.383 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.088 -2.202 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.912 -2.150 -5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.540 -3.784 -4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.272 -3.299 -6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.994 -1.573 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.907 -0.690 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.727 -1.526 -9.092 1.00 0.00 H new ATOM 918 N GLY A 61 -4.888 0.066 -3.652 1.00 0.00 N ATOM 919 CA GLY A 61 -5.487 1.369 -3.874 1.00 0.00 C ATOM 920 C GLY A 61 -4.559 2.506 -3.496 1.00 0.00 C ATOM 921 O GLY A 61 -3.345 2.322 -3.405 1.00 0.00 O ATOM 0 H GLY A 61 -4.047 0.074 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.764 1.464 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.406 1.446 -3.294 1.00 0.00 H new ATOM 925 N TYR A 62 -5.130 3.685 -3.276 1.00 0.00 N ATOM 926 CA TYR A 62 -4.345 4.858 -2.909 1.00 0.00 C ATOM 927 C TYR A 62 -4.088 4.894 -1.406 1.00 0.00 C ATOM 928 O TYR A 62 -5.019 4.813 -0.604 1.00 0.00 O ATOM 929 CB TYR A 62 -5.064 6.136 -3.345 1.00 0.00 C ATOM 930 CG TYR A 62 -5.101 6.328 -4.845 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.927 6.398 -5.585 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.309 6.440 -5.521 1.00 0.00 C ATOM 933 CE1 TYR A 62 -3.956 6.574 -6.955 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.348 6.615 -6.891 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.169 6.682 -7.603 1.00 0.00 C ATOM 936 OH TYR A 62 -5.202 6.857 -8.968 1.00 0.00 O ATOM 0 H TYR A 62 -6.134 3.854 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.385 4.796 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.085 6.116 -2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.570 6.994 -2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.976 6.313 -5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.234 6.389 -4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.034 6.627 -7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.296 6.699 -7.401 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.133 6.914 -9.268 1.00 0.00 H new ATOM 946 N ILE A 63 -2.819 5.015 -1.032 1.00 0.00 N ATOM 947 CA ILE A 63 -2.439 5.063 0.375 1.00 0.00 C ATOM 948 C ILE A 63 -1.410 6.159 0.629 1.00 0.00 C ATOM 949 O ILE A 63 -0.547 6.440 -0.203 1.00 0.00 O ATOM 950 CB ILE A 63 -1.864 3.715 0.849 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.557 3.407 0.115 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.876 2.601 0.629 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.256 2.309 0.764 1.00 0.00 C ATOM 0 H ILE A 63 -2.037 5.082 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.346 5.281 0.940 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.653 3.782 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.785 3.121 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.046 4.314 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.455 1.655 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.784 2.818 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.115 2.531 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.168 2.144 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.515 2.601 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.328 1.389 0.788 1.00 0.00 H new ATOM 965 N PRO A 64 -1.501 6.794 1.807 1.00 0.00 N ATOM 966 CA PRO A 64 -0.584 7.869 2.200 1.00 0.00 C ATOM 967 C PRO A 64 0.826 7.357 2.473 1.00 0.00 C ATOM 968 O PRO A 64 1.009 6.336 3.136 1.00 0.00 O ATOM 969 CB PRO A 64 -1.211 8.418 3.483 1.00 0.00 C ATOM 970 CG PRO A 64 -2.001 7.282 4.035 1.00 0.00 C ATOM 971 CD PRO A 64 -2.504 6.511 2.846 1.00 0.00 C ATOM 0 HA PRO A 64 -0.468 8.614 1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.447 8.748 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.847 9.279 3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.384 6.652 4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.829 7.643 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.572 5.444 3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.498 6.840 2.545 1.00 0.00 H new ATOM 979 N SER A 65 1.821 8.072 1.958 1.00 0.00 N ATOM 980 CA SER A 65 3.215 7.688 2.144 1.00 0.00 C ATOM 981 C SER A 65 3.673 7.978 3.570 1.00 0.00 C ATOM 982 O SER A 65 4.311 7.144 4.210 1.00 0.00 O ATOM 983 CB SER A 65 4.108 8.431 1.148 1.00 0.00 C ATOM 984 OG SER A 65 3.961 9.835 1.280 1.00 0.00 O ATOM 0 H SER A 65 1.687 8.921 1.408 1.00 0.00 H new ATOM 0 HA SER A 65 3.298 6.616 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.149 8.154 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.854 8.129 0.132 1.00 0.00 H new ATOM 0 HG SER A 65 4.543 10.287 0.634 1.00 0.00 H new ATOM 990 N ASN A 66 3.342 9.169 4.060 1.00 0.00 N ATOM 991 CA ASN A 66 3.719 9.571 5.410 1.00 0.00 C ATOM 992 C ASN A 66 3.339 8.496 6.424 1.00 0.00 C ATOM 993 O ASN A 66 3.915 8.421 7.510 1.00 0.00 O ATOM 994 CB ASN A 66 3.046 10.895 5.777 1.00 0.00 C ATOM 995 CG ASN A 66 3.601 12.064 4.988 1.00 0.00 C ATOM 996 OD1 ASN A 66 3.908 11.937 3.802 1.00 0.00 O ATOM 997 ND2 ASN A 66 3.734 13.211 5.644 1.00 0.00 N ATOM 0 H ASN A 66 2.814 9.872 3.542 1.00 0.00 H new ATOM 0 HA ASN A 66 4.801 9.702 5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.974 10.816 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.179 11.084 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.103 14.032 5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.467 13.271 6.627 1.00 0.00 H new ATOM 1004 N TYR A 67 2.367 7.666 6.062 1.00 0.00 N ATOM 1005 CA TYR A 67 1.909 6.596 6.940 1.00 0.00 C ATOM 1006 C TYR A 67 2.862 5.406 6.892 1.00 0.00 C ATOM 1007 O TYR A 67 3.069 4.721 7.894 1.00 0.00 O ATOM 1008 CB TYR A 67 0.499 6.152 6.544 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.596 6.996 7.156 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.643 8.368 6.943 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.583 6.422 7.947 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.641 9.144 7.500 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.586 7.189 8.507 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.610 8.550 8.281 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.607 9.318 8.838 1.00 0.00 O ATOM 0 H TYR A 67 1.881 7.714 5.166 1.00 0.00 H new ATOM 0 HA TYR A 67 1.889 6.980 7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.408 6.186 5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.356 5.114 6.844 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.114 8.836 6.331 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.566 5.357 8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.662 10.209 7.325 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.347 6.726 9.118 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.209 8.746 9.358 1.00 0.00 H new ATOM 1025 N VAL A 68 3.440 5.166 5.719 1.00 0.00 N ATOM 1026 CA VAL A 68 4.373 4.060 5.539 1.00 0.00 C ATOM 1027 C VAL A 68 5.800 4.567 5.371 1.00 0.00 C ATOM 1028 O VAL A 68 6.043 5.774 5.352 1.00 0.00 O ATOM 1029 CB VAL A 68 3.997 3.202 4.316 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.549 2.746 4.409 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.239 3.975 3.029 1.00 0.00 C ATOM 0 H VAL A 68 3.279 5.723 4.880 1.00 0.00 H new ATOM 0 HA VAL A 68 4.312 3.445 6.437 1.00 0.00 H new ATOM 0 HB VAL A 68 4.632 2.316 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.301 2.141 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.412 2.152 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.895 3.617 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.968 3.354 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.630 4.879 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.292 4.247 2.960 1.00 0.00 H new ATOM 1041 N ALA A 69 6.742 3.638 5.247 1.00 0.00 N ATOM 1042 CA ALA A 69 8.146 3.991 5.077 1.00 0.00 C ATOM 1043 C ALA A 69 8.903 2.891 4.341 1.00 0.00 C ATOM 1044 O ALA A 69 8.336 1.850 4.009 1.00 0.00 O ATOM 1045 CB ALA A 69 8.789 4.263 6.429 1.00 0.00 C ATOM 0 H ALA A 69 6.558 2.635 5.261 1.00 0.00 H new ATOM 0 HA ALA A 69 8.197 4.897 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.837 4.525 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.272 5.088 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.719 3.371 7.051 1.00 0.00 H new ATOM 1051 N GLU A 70 10.186 3.129 4.087 1.00 0.00 N ATOM 1052 CA GLU A 70 11.020 2.158 3.388 1.00 0.00 C ATOM 1053 C GLU A 70 11.582 1.125 4.360 1.00 0.00 C ATOM 1054 O GLU A 70 12.417 1.443 5.207 1.00 0.00 O ATOM 1055 CB GLU A 70 12.165 2.866 2.660 1.00 0.00 C ATOM 1056 CG GLU A 70 11.807 3.311 1.252 1.00 0.00 C ATOM 1057 CD GLU A 70 13.031 3.558 0.391 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.565 4.686 0.429 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.454 2.624 -0.322 1.00 0.00 O ATOM 0 H GLU A 70 10.670 3.986 4.355 1.00 0.00 H new ATOM 0 HA GLU A 70 10.398 1.643 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.471 3.736 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.024 2.197 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.184 2.550 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.213 4.223 1.303 1.00 0.00 H new ATOM 1066 N ASP A 71 11.118 -0.113 4.231 1.00 0.00 N ATOM 1067 CA ASP A 71 11.574 -1.195 5.097 1.00 0.00 C ATOM 1068 C ASP A 71 12.730 -1.954 4.454 1.00 0.00 C ATOM 1069 O ASP A 71 12.823 -2.044 3.230 1.00 0.00 O ATOM 1070 CB ASP A 71 10.422 -2.155 5.399 1.00 0.00 C ATOM 1071 CG ASP A 71 10.560 -2.816 6.756 1.00 0.00 C ATOM 1072 OD1 ASP A 71 10.583 -2.088 7.771 1.00 0.00 O ATOM 1073 OD2 ASP A 71 10.646 -4.061 6.805 1.00 0.00 O ATOM 0 H ASP A 71 10.426 -0.393 3.535 1.00 0.00 H new ATOM 0 HA ASP A 71 11.925 -0.757 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.479 -1.610 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.381 -2.923 4.627 1.00 0.00 H new ATOM 1078 N SER A 72 13.611 -2.498 5.288 1.00 0.00 N ATOM 1079 CA SER A 72 14.764 -3.246 4.802 1.00 0.00 C ATOM 1080 C SER A 72 14.344 -4.269 3.750 1.00 0.00 C ATOM 1081 O SER A 72 13.589 -5.196 4.037 1.00 0.00 O ATOM 1082 CB SER A 72 15.469 -3.950 5.962 1.00 0.00 C ATOM 1083 OG SER A 72 14.723 -5.070 6.408 1.00 0.00 O ATOM 0 H SER A 72 13.548 -2.434 6.304 1.00 0.00 H new ATOM 0 HA SER A 72 15.455 -2.540 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.461 -4.272 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.608 -3.250 6.786 1.00 0.00 H new ATOM 0 HG SER A 72 14.085 -5.336 5.713 1.00 0.00 H new ATOM 1089 N GLY A 73 14.841 -4.092 2.530 1.00 0.00 N ATOM 1090 CA GLY A 73 14.507 -5.006 1.453 1.00 0.00 C ATOM 1091 C GLY A 73 15.622 -5.133 0.434 1.00 0.00 C ATOM 1092 O GLY A 73 16.594 -4.377 0.447 1.00 0.00 O ATOM 0 H GLY A 73 15.469 -3.332 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.286 -5.989 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.601 -4.660 0.955 1.00 0.00 H new ATOM 1096 N PRO A 74 15.490 -6.112 -0.474 1.00 0.00 N ATOM 1097 CA PRO A 74 16.486 -6.360 -1.521 1.00 0.00 C ATOM 1098 C PRO A 74 16.511 -5.254 -2.571 1.00 0.00 C ATOM 1099 O PRO A 74 15.756 -5.291 -3.542 1.00 0.00 O ATOM 1100 CB PRO A 74 16.024 -7.679 -2.144 1.00 0.00 C ATOM 1101 CG PRO A 74 14.560 -7.734 -1.873 1.00 0.00 C ATOM 1102 CD PRO A 74 14.358 -7.050 -0.549 1.00 0.00 C ATOM 0 HA PRO A 74 17.499 -6.394 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 74 16.230 -7.705 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 74 16.541 -8.529 -1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.998 -7.233 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.208 -8.765 -1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 74 13.401 -6.529 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.370 -7.761 0.277 1.00 0.00 H new ATOM 1110 N SER A 75 17.384 -4.272 -2.369 1.00 0.00 N ATOM 1111 CA SER A 75 17.505 -3.154 -3.298 1.00 0.00 C ATOM 1112 C SER A 75 18.043 -3.623 -4.646 1.00 0.00 C ATOM 1113 O SER A 75 19.228 -3.926 -4.782 1.00 0.00 O ATOM 1114 CB SER A 75 18.422 -2.077 -2.716 1.00 0.00 C ATOM 1115 OG SER A 75 17.924 -1.596 -1.480 1.00 0.00 O ATOM 0 H SER A 75 18.018 -4.228 -1.571 1.00 0.00 H new ATOM 0 HA SER A 75 16.512 -2.731 -3.451 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.423 -2.485 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.511 -1.251 -3.422 1.00 0.00 H new ATOM 0 HG SER A 75 18.529 -0.910 -1.128 1.00 0.00 H new ATOM 1121 N SER A 76 17.162 -3.681 -5.640 1.00 0.00 N ATOM 1122 CA SER A 76 17.547 -4.117 -6.978 1.00 0.00 C ATOM 1123 C SER A 76 18.874 -3.489 -7.393 1.00 0.00 C ATOM 1124 O SER A 76 18.936 -2.309 -7.735 1.00 0.00 O ATOM 1125 CB SER A 76 16.459 -3.751 -7.989 1.00 0.00 C ATOM 1126 OG SER A 76 16.360 -2.347 -8.146 1.00 0.00 O ATOM 0 H SER A 76 16.178 -3.432 -5.544 1.00 0.00 H new ATOM 0 HA SER A 76 17.667 -5.200 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 76 16.682 -4.213 -8.951 1.00 0.00 H new ATOM 0 HB3 SER A 76 15.501 -4.151 -7.658 1.00 0.00 H new ATOM 0 HG SER A 76 17.255 -1.967 -8.266 1.00 0.00 H new ATOM 1132 N GLY A 77 19.936 -4.289 -7.359 1.00 0.00 N ATOM 1133 CA GLY A 77 21.249 -3.795 -7.733 1.00 0.00 C ATOM 1134 C GLY A 77 22.347 -4.803 -7.457 1.00 0.00 C ATOM 1135 O GLY A 77 22.075 -5.981 -7.226 1.00 0.00 O ATOM 0 H GLY A 77 19.911 -5.270 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.250 -3.542 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 77 21.458 -2.876 -7.186 1.00 0.00 H new TER 1139 GLY A 77