USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -157:sc= -0.248 (180deg=-1.28) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.0544 (180deg=-1.37!) USER MOD Single : A 4 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 7 ASN : amide:sc= -3.27! C(o=-3.3!,f=-7.3!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.058) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc=-0.00147 X(o=-0.0015,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.2!) USER MOD Single : A 33 TYR OH : rot 90:sc= -0.479 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0.408 (180deg=0.381) USER MOD Single : A 57 GLN : amide:sc= -0.773 K(o=-0.77,f=-0.11) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.83! X(o=-1.8!,f=-2.2) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.46) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.295 K(o=-0.29,f=-1.8!) USER MOD Single : A 100 ASN : amide:sc= -2.49! C(o=-2.5!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.304 -12.624 3.461 1.00 0.00 N ATOM 2 CA MET A 1 -7.647 -11.746 4.474 1.00 0.00 C ATOM 3 C MET A 1 -6.171 -11.543 4.116 1.00 0.00 C ATOM 4 O MET A 1 -5.302 -12.226 4.620 1.00 0.00 O ATOM 5 CB MET A 1 -7.778 -12.499 5.800 1.00 0.00 C ATOM 6 CG MET A 1 -7.339 -13.953 5.608 1.00 0.00 C ATOM 7 SD MET A 1 -6.524 -14.542 7.114 1.00 0.00 S ATOM 8 CE MET A 1 -4.846 -14.633 6.442 1.00 0.00 C ATOM 0 H1 MET A 1 -9.050 -13.185 3.920 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.723 -12.037 2.712 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.597 -13.263 3.045 1.00 0.00 H new ATOM 0 HA MET A 1 -8.104 -10.757 4.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.165 -12.021 6.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.809 -12.463 6.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.203 -14.578 5.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.659 -14.030 4.760 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.256 -15.335 7.031 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.887 -14.972 5.407 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.384 -13.647 6.483 1.00 0.00 H new ATOM 20 N ARG A 2 -5.882 -10.609 3.250 1.00 0.00 N ATOM 21 CA ARG A 2 -4.461 -10.368 2.865 1.00 0.00 C ATOM 22 C ARG A 2 -4.076 -8.910 3.130 1.00 0.00 C ATOM 23 O ARG A 2 -4.815 -8.165 3.741 1.00 0.00 O ATOM 24 CB ARG A 2 -4.397 -10.676 1.368 1.00 0.00 C ATOM 25 CG ARG A 2 -3.333 -11.746 1.115 1.00 0.00 C ATOM 26 CD ARG A 2 -2.743 -11.561 -0.284 1.00 0.00 C ATOM 27 NE ARG A 2 -2.971 -12.862 -0.971 1.00 0.00 N ATOM 28 CZ ARG A 2 -2.031 -13.768 -0.982 1.00 0.00 C ATOM 29 NH1 ARG A 2 -1.049 -13.700 -0.123 1.00 0.00 N ATOM 30 NH2 ARG A 2 -2.071 -14.741 -1.850 1.00 0.00 N ATOM 0 H ARG A 2 -6.565 -10.005 2.794 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.770 -10.986 3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.368 -11.022 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.159 -9.771 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.545 -11.675 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.772 -12.739 1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.232 -10.743 -0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.681 -11.320 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.862 -13.046 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.017 -12.939 0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.314 -14.408 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.837 -14.795 -2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.336 -15.448 -1.858 1.00 0.00 H new ATOM 44 N ARG A 3 -2.921 -8.500 2.679 1.00 0.00 N ATOM 45 CA ARG A 3 -2.487 -7.092 2.912 1.00 0.00 C ATOM 46 C ARG A 3 -2.516 -6.301 1.601 1.00 0.00 C ATOM 47 O ARG A 3 -1.942 -6.703 0.608 1.00 0.00 O ATOM 48 CB ARG A 3 -1.054 -7.209 3.436 1.00 0.00 C ATOM 49 CG ARG A 3 -0.689 -5.949 4.223 1.00 0.00 C ATOM 50 CD ARG A 3 -0.287 -6.335 5.649 1.00 0.00 C ATOM 51 NE ARG A 3 0.901 -7.217 5.488 1.00 0.00 N ATOM 52 CZ ARG A 3 2.104 -6.715 5.572 1.00 0.00 C ATOM 53 NH1 ARG A 3 2.684 -6.605 6.736 1.00 0.00 N ATOM 54 NH2 ARG A 3 2.725 -6.324 4.493 1.00 0.00 N ATOM 0 H ARG A 3 -2.260 -9.078 2.160 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.140 -6.567 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.960 -8.088 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.362 -7.343 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.131 -5.426 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.536 -5.264 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.047 -5.454 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.097 -6.854 6.161 1.00 0.00 H new ATOM 0 HE ARG A 3 0.776 -8.214 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.198 -6.911 7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.623 -6.213 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.271 -6.410 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.664 -5.932 4.559 1.00 0.00 H new ATOM 68 N TYR A 4 -3.180 -5.175 1.589 1.00 0.00 N ATOM 69 CA TYR A 4 -3.244 -4.359 0.350 1.00 0.00 C ATOM 70 C TYR A 4 -2.883 -2.908 0.665 1.00 0.00 C ATOM 71 O TYR A 4 -2.867 -2.498 1.808 1.00 0.00 O ATOM 72 CB TYR A 4 -4.692 -4.463 -0.110 1.00 0.00 C ATOM 73 CG TYR A 4 -5.061 -5.914 -0.304 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.380 -6.711 0.802 1.00 0.00 C ATOM 75 CD2 TYR A 4 -5.084 -6.463 -1.592 1.00 0.00 C ATOM 76 CE1 TYR A 4 -5.721 -8.057 0.622 1.00 0.00 C ATOM 77 CE2 TYR A 4 -5.425 -7.809 -1.773 1.00 0.00 C ATOM 78 CZ TYR A 4 -5.744 -8.606 -0.667 1.00 0.00 C ATOM 79 OH TYR A 4 -6.080 -9.933 -0.846 1.00 0.00 O ATOM 0 H TYR A 4 -3.681 -4.788 2.389 1.00 0.00 H new ATOM 0 HA TYR A 4 -2.548 -4.703 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.352 -4.005 0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.828 -3.915 -1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.363 -6.287 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.839 -5.848 -2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.966 -8.671 1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.442 -8.233 -2.766 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.048 -10.153 -1.801 1.00 0.00 H new ATOM 89 N GLU A 5 -2.598 -2.127 -0.336 1.00 0.00 N ATOM 90 CA GLU A 5 -2.242 -0.702 -0.083 1.00 0.00 C ATOM 91 C GLU A 5 -3.351 0.216 -0.600 1.00 0.00 C ATOM 92 O GLU A 5 -3.860 0.038 -1.690 1.00 0.00 O ATOM 93 CB GLU A 5 -0.942 -0.471 -0.859 1.00 0.00 C ATOM 94 CG GLU A 5 -1.250 -0.343 -2.353 1.00 0.00 C ATOM 95 CD GLU A 5 -1.610 1.108 -2.676 1.00 0.00 C ATOM 96 OE1 GLU A 5 -1.105 1.988 -1.999 1.00 0.00 O ATOM 97 OE2 GLU A 5 -2.386 1.316 -3.595 1.00 0.00 O ATOM 0 H GLU A 5 -2.595 -2.410 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.122 -0.487 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.449 0.433 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.254 -1.299 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.387 -0.655 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.075 -1.002 -2.623 1.00 0.00 H new ATOM 104 N VAL A 6 -3.727 1.198 0.170 1.00 0.00 N ATOM 105 CA VAL A 6 -4.801 2.126 -0.283 1.00 0.00 C ATOM 106 C VAL A 6 -4.185 3.385 -0.894 1.00 0.00 C ATOM 107 O VAL A 6 -3.538 4.163 -0.222 1.00 0.00 O ATOM 108 CB VAL A 6 -5.589 2.473 0.978 1.00 0.00 C ATOM 109 CG1 VAL A 6 -5.981 1.184 1.701 1.00 0.00 C ATOM 110 CG2 VAL A 6 -4.724 3.335 1.899 1.00 0.00 C ATOM 0 H VAL A 6 -3.338 1.398 1.092 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.437 1.678 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.489 3.025 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.544 1.429 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.597 0.571 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.082 0.632 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.286 3.583 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.824 2.785 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.444 4.253 1.382 1.00 0.00 H new ATOM 120 N ASN A 7 -4.378 3.587 -2.165 1.00 0.00 N ATOM 121 CA ASN A 7 -3.800 4.793 -2.823 1.00 0.00 C ATOM 122 C ASN A 7 -4.894 5.833 -3.076 1.00 0.00 C ATOM 123 O ASN A 7 -5.608 5.773 -4.058 1.00 0.00 O ATOM 124 CB ASN A 7 -3.224 4.285 -4.144 1.00 0.00 C ATOM 125 CG ASN A 7 -1.703 4.430 -4.124 1.00 0.00 C ATOM 126 OD1 ASN A 7 -1.167 5.221 -3.374 1.00 0.00 O ATOM 127 ND2 ASN A 7 -0.980 3.696 -4.924 1.00 0.00 N ATOM 0 H ASN A 7 -4.911 2.970 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.041 5.276 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.499 3.241 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.643 4.849 -4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.036 3.786 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.431 3.032 -5.554 1.00 0.00 H new ATOM 134 N ILE A 8 -5.027 6.786 -2.198 1.00 0.00 N ATOM 135 CA ILE A 8 -6.071 7.835 -2.383 1.00 0.00 C ATOM 136 C ILE A 8 -5.413 9.167 -2.754 1.00 0.00 C ATOM 137 O ILE A 8 -4.466 9.595 -2.125 1.00 0.00 O ATOM 138 CB ILE A 8 -6.767 7.937 -1.026 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.329 6.567 -0.640 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.909 8.952 -1.108 1.00 0.00 C ATOM 141 CD1 ILE A 8 -6.312 5.824 0.228 1.00 0.00 C ATOM 0 H ILE A 8 -4.457 6.885 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.771 7.593 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.049 8.263 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.267 6.687 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.550 5.987 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.403 9.023 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.509 9.928 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.629 8.630 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.712 4.848 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.385 5.692 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.113 6.402 1.131 1.00 0.00 H new ATOM 153 N VAL A 9 -5.905 9.825 -3.769 1.00 0.00 N ATOM 154 CA VAL A 9 -5.299 11.127 -4.170 1.00 0.00 C ATOM 155 C VAL A 9 -6.294 12.265 -3.938 1.00 0.00 C ATOM 156 O VAL A 9 -7.360 12.300 -4.520 1.00 0.00 O ATOM 157 CB VAL A 9 -4.985 10.979 -5.658 1.00 0.00 C ATOM 158 CG1 VAL A 9 -6.289 10.876 -6.451 1.00 0.00 C ATOM 159 CG2 VAL A 9 -4.194 12.200 -6.135 1.00 0.00 C ATOM 0 H VAL A 9 -6.696 9.519 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.407 11.364 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.394 10.077 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.062 10.771 -7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.853 10.007 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.882 11.777 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.969 12.096 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.786 13.102 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.263 12.273 -5.572 1.00 0.00 H new ATOM 169 N LEU A 10 -5.956 13.193 -3.085 1.00 0.00 N ATOM 170 CA LEU A 10 -6.883 14.325 -2.807 1.00 0.00 C ATOM 171 C LEU A 10 -6.245 15.650 -3.227 1.00 0.00 C ATOM 172 O LEU A 10 -5.039 15.770 -3.311 1.00 0.00 O ATOM 173 CB LEU A 10 -7.094 14.288 -1.295 1.00 0.00 C ATOM 174 CG LEU A 10 -7.937 13.066 -0.927 1.00 0.00 C ATOM 175 CD1 LEU A 10 -7.156 12.181 0.046 1.00 0.00 C ATOM 176 CD2 LEU A 10 -9.237 13.528 -0.264 1.00 0.00 C ATOM 0 H LEU A 10 -5.077 13.216 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.820 14.240 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.132 14.247 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.592 15.199 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.168 12.498 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.757 11.310 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.229 11.854 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.925 12.748 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.840 12.659 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.004 14.095 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.794 14.160 -0.956 1.00 0.00 H new ATOM 188 N ASN A 11 -7.043 16.648 -3.489 1.00 0.00 N ATOM 189 CA ASN A 11 -6.478 17.964 -3.898 1.00 0.00 C ATOM 190 C ASN A 11 -5.746 18.608 -2.716 1.00 0.00 C ATOM 191 O ASN A 11 -6.320 18.795 -1.662 1.00 0.00 O ATOM 192 CB ASN A 11 -7.686 18.807 -4.305 1.00 0.00 C ATOM 193 CG ASN A 11 -8.311 18.224 -5.574 1.00 0.00 C ATOM 194 OD1 ASN A 11 -9.406 17.697 -5.539 1.00 0.00 O ATOM 195 ND2 ASN A 11 -7.658 18.298 -6.702 1.00 0.00 N ATOM 0 H ASN A 11 -8.061 16.609 -3.438 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.757 17.872 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.420 18.822 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.381 19.839 -4.478 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.067 17.914 -7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.739 18.740 -6.731 1.00 0.00 H new ATOM 202 N PRO A 12 -4.497 18.922 -2.931 1.00 0.00 N ATOM 203 CA PRO A 12 -3.676 19.544 -1.872 1.00 0.00 C ATOM 204 C PRO A 12 -3.923 21.051 -1.828 1.00 0.00 C ATOM 205 O PRO A 12 -3.003 21.844 -1.801 1.00 0.00 O ATOM 206 CB PRO A 12 -2.248 19.241 -2.307 1.00 0.00 C ATOM 207 CG PRO A 12 -2.312 19.053 -3.795 1.00 0.00 C ATOM 208 CD PRO A 12 -3.739 18.728 -4.168 1.00 0.00 C ATOM 0 HA PRO A 12 -3.902 19.168 -0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.576 20.058 -2.043 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.870 18.345 -1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.982 19.957 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.645 18.249 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.100 19.383 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.830 17.705 -4.533 1.00 0.00 H new ATOM 216 N ASN A 13 -5.161 21.446 -1.822 1.00 0.00 N ATOM 217 CA ASN A 13 -5.482 22.900 -1.780 1.00 0.00 C ATOM 218 C ASN A 13 -5.784 23.333 -0.344 1.00 0.00 C ATOM 219 O ASN A 13 -5.504 24.448 0.050 1.00 0.00 O ATOM 220 CB ASN A 13 -6.723 23.049 -2.660 1.00 0.00 C ATOM 221 CG ASN A 13 -6.762 24.457 -3.256 1.00 0.00 C ATOM 222 OD1 ASN A 13 -7.763 25.140 -3.164 1.00 0.00 O ATOM 223 ND2 ASN A 13 -5.708 24.924 -3.868 1.00 0.00 N ATOM 0 H ASN A 13 -5.969 20.824 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.656 23.520 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.707 22.306 -3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.622 22.867 -2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.725 25.862 -4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.868 24.351 -3.945 1.00 0.00 H new ATOM 230 N LEU A 14 -6.356 22.461 0.440 1.00 0.00 N ATOM 231 CA LEU A 14 -6.677 22.825 1.850 1.00 0.00 C ATOM 232 C LEU A 14 -5.392 23.022 2.653 1.00 0.00 C ATOM 233 O LEU A 14 -4.349 22.500 2.314 1.00 0.00 O ATOM 234 CB LEU A 14 -7.478 21.639 2.391 1.00 0.00 C ATOM 235 CG LEU A 14 -8.967 22.001 2.439 1.00 0.00 C ATOM 236 CD1 LEU A 14 -9.358 22.757 1.168 1.00 0.00 C ATOM 237 CD2 LEU A 14 -9.797 20.720 2.544 1.00 0.00 C ATOM 0 H LEU A 14 -6.615 21.513 0.166 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.235 23.758 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.326 20.766 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.126 21.374 3.388 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.156 22.634 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.417 23.012 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.768 23.670 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.168 22.129 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.856 20.975 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.603 20.089 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.523 20.183 3.452 1.00 0.00 H new ATOM 249 N ASP A 15 -5.457 23.776 3.715 1.00 0.00 N ATOM 250 CA ASP A 15 -4.234 24.009 4.536 1.00 0.00 C ATOM 251 C ASP A 15 -3.951 22.791 5.420 1.00 0.00 C ATOM 252 O ASP A 15 -4.600 21.769 5.313 1.00 0.00 O ATOM 253 CB ASP A 15 -4.550 25.240 5.389 1.00 0.00 C ATOM 254 CG ASP A 15 -5.487 24.853 6.536 1.00 0.00 C ATOM 255 OD1 ASP A 15 -6.314 23.983 6.332 1.00 0.00 O ATOM 256 OD2 ASP A 15 -5.360 25.437 7.600 1.00 0.00 O ATOM 0 H ASP A 15 -6.301 24.240 4.050 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.348 24.164 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.628 25.663 5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.014 26.011 4.773 1.00 0.00 H new ATOM 261 N GLN A 16 -2.982 22.889 6.289 1.00 0.00 N ATOM 262 CA GLN A 16 -2.656 21.732 7.174 1.00 0.00 C ATOM 263 C GLN A 16 -3.840 21.415 8.094 1.00 0.00 C ATOM 264 O GLN A 16 -4.250 20.279 8.221 1.00 0.00 O ATOM 265 CB GLN A 16 -1.443 22.183 7.991 1.00 0.00 C ATOM 266 CG GLN A 16 -0.422 22.849 7.066 1.00 0.00 C ATOM 267 CD GLN A 16 0.991 22.614 7.605 1.00 0.00 C ATOM 268 OE1 GLN A 16 1.859 22.160 6.887 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.261 22.908 8.848 1.00 0.00 N ATOM 0 H GLN A 16 -2.403 23.717 6.425 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.448 20.826 6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.754 22.881 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.991 21.327 8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.510 22.442 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.622 23.918 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.533 23.289 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.200 22.756 9.215 1.00 0.00 H new ATOM 278 N SER A 17 -4.390 22.409 8.735 1.00 0.00 N ATOM 279 CA SER A 17 -5.542 22.159 9.643 1.00 0.00 C ATOM 280 C SER A 17 -6.691 21.507 8.872 1.00 0.00 C ATOM 281 O SER A 17 -7.306 20.565 9.333 1.00 0.00 O ATOM 282 CB SER A 17 -5.953 23.539 10.157 1.00 0.00 C ATOM 283 OG SER A 17 -5.414 23.734 11.459 1.00 0.00 O ATOM 0 H SER A 17 -4.091 23.382 8.669 1.00 0.00 H new ATOM 0 HA SER A 17 -5.284 21.483 10.459 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.592 24.314 9.481 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.040 23.621 10.184 1.00 0.00 H new ATOM 0 HG SER A 17 -5.674 24.618 11.792 1.00 0.00 H new ATOM 289 N GLN A 18 -6.987 21.997 7.700 1.00 0.00 N ATOM 290 CA GLN A 18 -8.095 21.397 6.903 1.00 0.00 C ATOM 291 C GLN A 18 -7.709 19.987 6.456 1.00 0.00 C ATOM 292 O GLN A 18 -8.524 19.088 6.428 1.00 0.00 O ATOM 293 CB GLN A 18 -8.262 22.318 5.695 1.00 0.00 C ATOM 294 CG GLN A 18 -8.874 23.644 6.149 1.00 0.00 C ATOM 295 CD GLN A 18 -10.400 23.531 6.129 1.00 0.00 C ATOM 296 OE1 GLN A 18 -10.938 22.510 5.750 1.00 0.00 O ATOM 297 NE2 GLN A 18 -11.126 24.543 6.523 1.00 0.00 N ATOM 0 H GLN A 18 -6.511 22.785 7.260 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.019 21.311 7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.296 22.494 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.902 21.846 4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.530 23.892 7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.549 24.451 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.675 25.401 6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.144 24.475 6.512 1.00 0.00 H new ATOM 306 N LEU A 19 -6.468 19.788 6.108 1.00 0.00 N ATOM 307 CA LEU A 19 -6.026 18.436 5.665 1.00 0.00 C ATOM 308 C LEU A 19 -6.145 17.435 6.820 1.00 0.00 C ATOM 309 O LEU A 19 -6.540 16.302 6.633 1.00 0.00 O ATOM 310 CB LEU A 19 -4.562 18.613 5.260 1.00 0.00 C ATOM 311 CG LEU A 19 -4.028 17.303 4.679 1.00 0.00 C ATOM 312 CD1 LEU A 19 -3.595 17.528 3.229 1.00 0.00 C ATOM 313 CD2 LEU A 19 -2.827 16.833 5.504 1.00 0.00 C ATOM 0 H LEU A 19 -5.741 20.503 6.111 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.633 18.050 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.472 19.412 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.968 18.908 6.125 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.810 16.544 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.214 16.595 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.450 17.864 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.812 18.286 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.445 15.899 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.044 17.591 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.135 16.674 6.537 1.00 0.00 H new ATOM 325 N ALA A 20 -5.800 17.844 8.012 1.00 0.00 N ATOM 326 CA ALA A 20 -5.887 16.917 9.171 1.00 0.00 C ATOM 327 C ALA A 20 -7.329 16.447 9.373 1.00 0.00 C ATOM 328 O ALA A 20 -7.579 15.319 9.752 1.00 0.00 O ATOM 329 CB ALA A 20 -5.422 17.742 10.371 1.00 0.00 C ATOM 0 H ALA A 20 -5.462 18.781 8.230 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.281 16.022 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.457 17.127 11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.400 18.083 10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.077 18.605 10.495 1.00 0.00 H new ATOM 335 N LEU A 21 -8.280 17.307 9.135 1.00 0.00 N ATOM 336 CA LEU A 21 -9.703 16.918 9.322 1.00 0.00 C ATOM 337 C LEU A 21 -10.058 15.729 8.421 1.00 0.00 C ATOM 338 O LEU A 21 -10.885 14.906 8.758 1.00 0.00 O ATOM 339 CB LEU A 21 -10.506 18.173 8.944 1.00 0.00 C ATOM 340 CG LEU A 21 -10.836 18.174 7.448 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.124 17.385 7.210 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.025 19.616 6.972 1.00 0.00 C ATOM 0 H LEU A 21 -8.131 18.265 8.818 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.919 16.596 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.428 18.210 9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.934 19.066 9.196 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.020 17.711 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.359 17.385 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.990 16.359 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.942 17.848 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.260 19.620 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.842 20.078 7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.107 20.179 7.143 1.00 0.00 H new ATOM 354 N GLU A 22 -9.439 15.641 7.277 1.00 0.00 N ATOM 355 CA GLU A 22 -9.740 14.507 6.349 1.00 0.00 C ATOM 356 C GLU A 22 -9.257 13.191 6.958 1.00 0.00 C ATOM 357 O GLU A 22 -9.964 12.203 6.972 1.00 0.00 O ATOM 358 CB GLU A 22 -8.972 14.810 5.059 1.00 0.00 C ATOM 359 CG GLU A 22 -9.055 16.304 4.742 1.00 0.00 C ATOM 360 CD GLU A 22 -8.896 16.518 3.235 1.00 0.00 C ATOM 361 OE1 GLU A 22 -9.376 15.683 2.485 1.00 0.00 O ATOM 362 OE2 GLU A 22 -8.300 17.513 2.857 1.00 0.00 O ATOM 0 H GLU A 22 -8.738 16.302 6.942 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.809 14.407 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.930 14.510 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.387 14.231 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.011 16.705 5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.276 16.844 5.281 1.00 0.00 H new ATOM 369 N LYS A 23 -8.055 13.172 7.464 1.00 0.00 N ATOM 370 CA LYS A 23 -7.525 11.919 8.075 1.00 0.00 C ATOM 371 C LYS A 23 -8.473 11.436 9.172 1.00 0.00 C ATOM 372 O LYS A 23 -8.637 10.252 9.392 1.00 0.00 O ATOM 373 CB LYS A 23 -6.175 12.312 8.674 1.00 0.00 C ATOM 374 CG LYS A 23 -5.052 11.883 7.729 1.00 0.00 C ATOM 375 CD LYS A 23 -5.074 12.765 6.479 1.00 0.00 C ATOM 376 CE LYS A 23 -5.253 11.887 5.238 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.603 12.649 4.137 1.00 0.00 N ATOM 0 H LYS A 23 -7.417 13.968 7.481 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.429 11.110 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.137 13.389 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.046 11.839 9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.088 11.968 8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.176 10.836 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.886 13.489 6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.147 13.333 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.786 10.911 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.308 11.710 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.683 12.113 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.073 13.571 4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.599 12.797 4.363 1.00 0.00 H new ATOM 391 N GLU A 24 -9.096 12.349 9.860 1.00 0.00 N ATOM 392 CA GLU A 24 -10.037 11.954 10.947 1.00 0.00 C ATOM 393 C GLU A 24 -11.311 11.344 10.353 1.00 0.00 C ATOM 394 O GLU A 24 -11.822 10.356 10.841 1.00 0.00 O ATOM 395 CB GLU A 24 -10.355 13.257 11.683 1.00 0.00 C ATOM 396 CG GLU A 24 -10.626 12.959 13.158 1.00 0.00 C ATOM 397 CD GLU A 24 -10.011 14.060 14.023 1.00 0.00 C ATOM 398 OE1 GLU A 24 -8.983 14.589 13.632 1.00 0.00 O ATOM 399 OE2 GLU A 24 -10.578 14.358 15.061 1.00 0.00 O ATOM 0 H GLU A 24 -8.995 13.354 9.718 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.610 11.203 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.521 13.952 11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.223 13.738 11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.700 12.899 13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.203 11.991 13.428 1.00 0.00 H new ATOM 406 N ILE A 25 -11.828 11.925 9.303 1.00 0.00 N ATOM 407 CA ILE A 25 -13.067 11.376 8.684 1.00 0.00 C ATOM 408 C ILE A 25 -12.777 10.026 8.024 1.00 0.00 C ATOM 409 O ILE A 25 -13.532 9.085 8.159 1.00 0.00 O ATOM 410 CB ILE A 25 -13.465 12.407 7.630 1.00 0.00 C ATOM 411 CG1 ILE A 25 -14.029 13.650 8.321 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.528 11.807 6.712 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.295 14.738 7.278 1.00 0.00 C ATOM 0 H ILE A 25 -11.446 12.754 8.849 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.856 11.208 9.417 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.590 12.685 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -14.952 13.401 8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.325 14.014 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.814 12.541 5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.126 10.920 6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.403 11.531 7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.697 15.624 7.770 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.363 14.994 6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.015 14.372 6.546 1.00 0.00 H new ATOM 425 N ILE A 26 -11.690 9.926 7.310 1.00 0.00 N ATOM 426 CA ILE A 26 -11.355 8.636 6.640 1.00 0.00 C ATOM 427 C ILE A 26 -11.232 7.518 7.679 1.00 0.00 C ATOM 428 O ILE A 26 -11.795 6.453 7.526 1.00 0.00 O ATOM 429 CB ILE A 26 -10.011 8.883 5.954 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.226 9.757 4.715 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.399 7.547 5.534 1.00 0.00 C ATOM 432 CD1 ILE A 26 -11.314 9.138 3.835 1.00 0.00 C ATOM 0 H ILE A 26 -11.019 10.680 7.161 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.123 8.327 5.931 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.337 9.389 6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.515 10.765 5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.296 9.845 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.441 7.723 5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.247 6.923 6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.072 7.040 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.467 9.760 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.007 8.139 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.245 9.073 4.399 1.00 0.00 H new ATOM 444 N GLN A 27 -10.503 7.755 8.735 1.00 0.00 N ATOM 445 CA GLN A 27 -10.350 6.706 9.784 1.00 0.00 C ATOM 446 C GLN A 27 -11.724 6.276 10.306 1.00 0.00 C ATOM 447 O GLN A 27 -11.989 5.106 10.493 1.00 0.00 O ATOM 448 CB GLN A 27 -9.539 7.373 10.896 1.00 0.00 C ATOM 449 CG GLN A 27 -8.146 6.744 10.960 1.00 0.00 C ATOM 450 CD GLN A 27 -7.204 7.667 11.735 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.102 7.934 11.298 1.00 0.00 O ATOM 452 NE2 GLN A 27 -7.592 8.169 12.877 1.00 0.00 N ATOM 0 H GLN A 27 -10.007 8.628 8.917 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.860 5.810 9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.458 8.444 10.709 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.048 7.254 11.853 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.198 5.769 11.445 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.763 6.579 9.953 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.517 7.945 13.244 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.970 8.785 13.401 1.00 0.00 H new ATOM 461 N ARG A 28 -12.600 7.216 10.543 1.00 0.00 N ATOM 462 CA ARG A 28 -13.954 6.858 11.054 1.00 0.00 C ATOM 463 C ARG A 28 -14.698 6.000 10.027 1.00 0.00 C ATOM 464 O ARG A 28 -15.468 5.127 10.374 1.00 0.00 O ATOM 465 CB ARG A 28 -14.667 8.195 11.258 1.00 0.00 C ATOM 466 CG ARG A 28 -14.134 8.868 12.524 1.00 0.00 C ATOM 467 CD ARG A 28 -15.097 8.611 13.685 1.00 0.00 C ATOM 468 NE ARG A 28 -14.365 9.062 14.900 1.00 0.00 N ATOM 469 CZ ARG A 28 -13.378 8.351 15.372 1.00 0.00 C ATOM 470 NH1 ARG A 28 -13.586 7.124 15.769 1.00 0.00 N ATOM 471 NH2 ARG A 28 -12.182 8.865 15.446 1.00 0.00 N ATOM 0 H ARG A 28 -12.437 8.213 10.405 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.908 6.278 11.976 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.506 8.841 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.742 8.037 11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.145 8.479 12.766 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.024 9.940 12.360 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.027 9.165 13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.361 7.556 13.752 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.636 9.929 15.365 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.521 6.721 15.710 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.813 6.569 16.138 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.018 9.823 15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.410 8.310 15.815 1.00 0.00 H new ATOM 485 N ALA A 29 -14.476 6.241 8.764 1.00 0.00 N ATOM 486 CA ALA A 29 -15.170 5.439 7.725 1.00 0.00 C ATOM 487 C ALA A 29 -14.643 4.007 7.732 1.00 0.00 C ATOM 488 O ALA A 29 -15.398 3.060 7.632 1.00 0.00 O ATOM 489 CB ALA A 29 -14.848 6.130 6.401 1.00 0.00 C ATOM 0 H ALA A 29 -13.844 6.959 8.410 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.245 5.382 7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.328 5.592 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.217 7.155 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.769 6.136 6.247 1.00 0.00 H new ATOM 495 N LEU A 30 -13.358 3.833 7.872 1.00 0.00 N ATOM 496 CA LEU A 30 -12.818 2.446 7.908 1.00 0.00 C ATOM 497 C LEU A 30 -13.569 1.714 9.002 1.00 0.00 C ATOM 498 O LEU A 30 -13.902 0.550 8.897 1.00 0.00 O ATOM 499 CB LEU A 30 -11.326 2.568 8.266 1.00 0.00 C ATOM 500 CG LEU A 30 -10.681 3.763 7.547 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.191 3.489 7.337 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.349 3.982 6.189 1.00 0.00 C ATOM 0 H LEU A 30 -12.668 4.579 7.962 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.931 1.911 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.216 2.686 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.806 1.650 7.991 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.810 4.656 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.734 4.337 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.708 3.343 8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.068 2.591 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.884 4.831 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.229 3.089 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.411 4.182 6.334 1.00 0.00 H new ATOM 514 N GLU A 31 -13.852 2.427 10.047 1.00 0.00 N ATOM 515 CA GLU A 31 -14.608 1.847 11.180 1.00 0.00 C ATOM 516 C GLU A 31 -16.053 1.578 10.755 1.00 0.00 C ATOM 517 O GLU A 31 -16.667 0.623 11.184 1.00 0.00 O ATOM 518 CB GLU A 31 -14.555 2.900 12.286 1.00 0.00 C ATOM 519 CG GLU A 31 -13.182 2.870 12.958 1.00 0.00 C ATOM 520 CD GLU A 31 -13.225 1.926 14.161 1.00 0.00 C ATOM 521 OE1 GLU A 31 -14.049 1.027 14.157 1.00 0.00 O ATOM 522 OE2 GLU A 31 -12.431 2.119 15.068 1.00 0.00 O ATOM 0 H GLU A 31 -13.587 3.405 10.166 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.190 0.898 11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.746 3.889 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.336 2.708 13.022 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.425 2.538 12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.900 3.873 13.279 1.00 0.00 H new ATOM 529 N ASN A 32 -16.604 2.414 9.908 1.00 0.00 N ATOM 530 CA ASN A 32 -18.001 2.196 9.463 1.00 0.00 C ATOM 531 C ASN A 32 -18.097 0.847 8.758 1.00 0.00 C ATOM 532 O ASN A 32 -19.017 0.083 8.969 1.00 0.00 O ATOM 533 CB ASN A 32 -18.290 3.342 8.492 1.00 0.00 C ATOM 534 CG ASN A 32 -19.802 3.524 8.347 1.00 0.00 C ATOM 535 OD1 ASN A 32 -20.550 2.569 8.411 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.288 4.720 8.153 1.00 0.00 N ATOM 0 H ASN A 32 -16.142 3.233 9.511 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.715 2.184 10.287 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.836 4.264 8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.844 3.130 7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.295 4.852 8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.661 5.523 8.099 1.00 0.00 H new ATOM 543 N TYR A 33 -17.140 0.550 7.927 1.00 0.00 N ATOM 544 CA TYR A 33 -17.141 -0.735 7.210 1.00 0.00 C ATOM 545 C TYR A 33 -16.479 -1.809 8.085 1.00 0.00 C ATOM 546 O TYR A 33 -16.574 -2.990 7.820 1.00 0.00 O ATOM 547 CB TYR A 33 -16.332 -0.443 5.940 1.00 0.00 C ATOM 548 CG TYR A 33 -15.524 -1.652 5.543 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.361 -1.959 6.252 1.00 0.00 C ATOM 550 CD2 TYR A 33 -15.936 -2.465 4.482 1.00 0.00 C ATOM 551 CE1 TYR A 33 -13.606 -3.078 5.905 1.00 0.00 C ATOM 552 CE2 TYR A 33 -15.179 -3.590 4.132 1.00 0.00 C ATOM 553 CZ TYR A 33 -14.012 -3.897 4.845 1.00 0.00 C ATOM 554 OH TYR A 33 -13.264 -5.004 4.503 1.00 0.00 O ATOM 0 H TYR A 33 -16.349 1.158 7.717 1.00 0.00 H new ATOM 0 HA TYR A 33 -18.136 -1.113 6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.004 -0.165 5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.669 0.406 6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.046 -1.329 7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -16.835 -2.226 3.934 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.707 -3.313 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.494 -4.220 3.314 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.580 -5.781 5.010 1.00 0.00 H new ATOM 564 N GLY A 34 -15.803 -1.398 9.126 1.00 0.00 N ATOM 565 CA GLY A 34 -15.131 -2.376 10.016 1.00 0.00 C ATOM 566 C GLY A 34 -13.786 -2.784 9.407 1.00 0.00 C ATOM 567 O GLY A 34 -13.555 -3.939 9.108 1.00 0.00 O ATOM 0 H GLY A 34 -15.690 -0.421 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.978 -1.939 11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.762 -3.254 10.151 1.00 0.00 H new ATOM 571 N ALA A 35 -12.898 -1.843 9.221 1.00 0.00 N ATOM 572 CA ALA A 35 -11.567 -2.176 8.630 1.00 0.00 C ATOM 573 C ALA A 35 -10.467 -2.032 9.685 1.00 0.00 C ATOM 574 O ALA A 35 -10.609 -1.305 10.648 1.00 0.00 O ATOM 575 CB ALA A 35 -11.369 -1.159 7.505 1.00 0.00 C ATOM 0 H ALA A 35 -13.036 -0.859 9.452 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.522 -3.202 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.410 -1.337 7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.171 -1.264 6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.385 -0.151 7.919 1.00 0.00 H new ATOM 581 N ARG A 36 -9.373 -2.725 9.516 1.00 0.00 N ATOM 582 CA ARG A 36 -8.267 -2.636 10.512 1.00 0.00 C ATOM 583 C ARG A 36 -6.980 -2.158 9.839 1.00 0.00 C ATOM 584 O ARG A 36 -6.647 -2.561 8.743 1.00 0.00 O ATOM 585 CB ARG A 36 -8.068 -4.051 11.041 1.00 0.00 C ATOM 586 CG ARG A 36 -9.406 -4.793 11.113 1.00 0.00 C ATOM 587 CD ARG A 36 -9.190 -6.177 11.730 1.00 0.00 C ATOM 588 NE ARG A 36 -9.478 -5.999 13.179 1.00 0.00 N ATOM 589 CZ ARG A 36 -10.530 -6.561 13.708 1.00 0.00 C ATOM 590 NH1 ARG A 36 -10.676 -7.857 13.653 1.00 0.00 N ATOM 591 NH2 ARG A 36 -11.438 -5.828 14.293 1.00 0.00 N ATOM 0 H ARG A 36 -9.197 -3.350 8.729 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.508 -1.930 11.307 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.380 -4.594 10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.613 -4.014 12.031 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.118 -4.224 11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.834 -4.891 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.854 -6.917 11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.170 -6.526 11.570 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.853 -5.438 13.758 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.967 -8.431 13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.499 -8.296 14.067 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.325 -4.815 14.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.260 -6.268 14.706 1.00 0.00 H new ATOM 605 N VAL A 37 -6.251 -1.311 10.500 1.00 0.00 N ATOM 606 CA VAL A 37 -4.972 -0.802 9.923 1.00 0.00 C ATOM 607 C VAL A 37 -3.785 -1.499 10.592 1.00 0.00 C ATOM 608 O VAL A 37 -3.584 -1.394 11.785 1.00 0.00 O ATOM 609 CB VAL A 37 -4.962 0.693 10.240 1.00 0.00 C ATOM 610 CG1 VAL A 37 -3.684 1.325 9.685 1.00 0.00 C ATOM 611 CG2 VAL A 37 -6.181 1.359 9.594 1.00 0.00 C ATOM 0 H VAL A 37 -6.484 -0.944 11.423 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.894 -0.991 8.852 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.998 0.835 11.320 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.677 2.391 9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.815 0.851 10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.647 1.183 8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.175 2.425 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.144 1.216 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.093 0.910 9.988 1.00 0.00 H new ATOM 621 N GLU A 38 -2.996 -2.208 9.833 1.00 0.00 N ATOM 622 CA GLU A 38 -1.825 -2.909 10.432 1.00 0.00 C ATOM 623 C GLU A 38 -0.655 -1.937 10.595 1.00 0.00 C ATOM 624 O GLU A 38 0.186 -2.112 11.450 1.00 0.00 O ATOM 625 CB GLU A 38 -1.471 -4.013 9.435 1.00 0.00 C ATOM 626 CG GLU A 38 -2.689 -4.913 9.214 1.00 0.00 C ATOM 627 CD GLU A 38 -2.409 -6.301 9.794 1.00 0.00 C ATOM 628 OE1 GLU A 38 -1.866 -7.122 9.074 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.741 -6.516 10.947 1.00 0.00 O ATOM 0 H GLU A 38 -3.111 -2.332 8.827 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.045 -3.310 11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.153 -3.575 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.634 -4.602 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.567 -4.478 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.910 -4.990 8.149 1.00 0.00 H new ATOM 636 N LYS A 39 -0.604 -0.916 9.779 1.00 0.00 N ATOM 637 CA LYS A 39 0.499 0.085 9.870 1.00 0.00 C ATOM 638 C LYS A 39 0.294 1.191 8.830 1.00 0.00 C ATOM 639 O LYS A 39 -0.574 1.107 7.985 1.00 0.00 O ATOM 640 CB LYS A 39 1.782 -0.700 9.588 1.00 0.00 C ATOM 641 CG LYS A 39 2.872 -0.273 10.573 1.00 0.00 C ATOM 642 CD LYS A 39 2.364 -0.445 12.006 1.00 0.00 C ATOM 643 CE LYS A 39 2.971 -1.710 12.617 1.00 0.00 C ATOM 644 NZ LYS A 39 3.558 -1.268 13.914 1.00 0.00 N ATOM 0 H LYS A 39 -1.288 -0.732 9.045 1.00 0.00 H new ATOM 0 HA LYS A 39 0.535 0.572 10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.593 -1.770 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.112 -0.521 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.770 -0.872 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.149 0.766 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.633 0.425 12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.276 -0.512 12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.213 -2.478 12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.732 -2.138 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.994 -2.082 14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.281 -0.542 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.809 -0.872 14.517 1.00 0.00 H new ATOM 658 N VAL A 40 1.086 2.228 8.887 1.00 0.00 N ATOM 659 CA VAL A 40 0.931 3.336 7.901 1.00 0.00 C ATOM 660 C VAL A 40 2.294 3.738 7.329 1.00 0.00 C ATOM 661 O VAL A 40 3.209 4.071 8.056 1.00 0.00 O ATOM 662 CB VAL A 40 0.327 4.491 8.700 1.00 0.00 C ATOM 663 CG1 VAL A 40 1.149 4.716 9.970 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.345 5.765 7.851 1.00 0.00 C ATOM 0 H VAL A 40 1.831 2.356 9.572 1.00 0.00 H new ATOM 0 HA VAL A 40 0.306 3.049 7.055 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.701 4.247 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.719 5.539 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.138 3.810 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.177 4.959 9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.086 6.588 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.373 6.009 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.239 5.606 6.945 1.00 0.00 H new ATOM 674 N GLU A 41 2.434 3.720 6.031 1.00 0.00 N ATOM 675 CA GLU A 41 3.736 4.112 5.413 1.00 0.00 C ATOM 676 C GLU A 41 3.595 5.471 4.722 1.00 0.00 C ATOM 677 O GLU A 41 2.635 5.723 4.021 1.00 0.00 O ATOM 678 CB GLU A 41 4.044 3.017 4.391 1.00 0.00 C ATOM 679 CG GLU A 41 5.333 2.295 4.789 1.00 0.00 C ATOM 680 CD GLU A 41 6.214 2.097 3.554 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.973 1.148 2.825 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.114 2.897 3.358 1.00 0.00 O ATOM 0 H GLU A 41 1.704 3.451 5.371 1.00 0.00 H new ATOM 0 HA GLU A 41 4.533 4.207 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.218 2.308 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.150 3.452 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.869 2.874 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.097 1.330 5.238 1.00 0.00 H new ATOM 689 N GLU A 42 4.538 6.351 4.917 1.00 0.00 N ATOM 690 CA GLU A 42 4.447 7.692 4.274 1.00 0.00 C ATOM 691 C GLU A 42 5.312 7.739 3.012 1.00 0.00 C ATOM 692 O GLU A 42 6.486 7.426 3.041 1.00 0.00 O ATOM 693 CB GLU A 42 4.972 8.672 5.322 1.00 0.00 C ATOM 694 CG GLU A 42 4.009 8.718 6.509 1.00 0.00 C ATOM 695 CD GLU A 42 4.795 8.981 7.794 1.00 0.00 C ATOM 696 OE1 GLU A 42 5.653 8.175 8.117 1.00 0.00 O ATOM 697 OE2 GLU A 42 4.526 9.984 8.435 1.00 0.00 O ATOM 0 H GLU A 42 5.366 6.200 5.493 1.00 0.00 H new ATOM 0 HA GLU A 42 3.429 7.931 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.963 8.366 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.075 9.666 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.266 9.501 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.467 7.776 6.588 1.00 0.00 H new ATOM 704 N LEU A 43 4.741 8.130 1.906 1.00 0.00 N ATOM 705 CA LEU A 43 5.531 8.200 0.644 1.00 0.00 C ATOM 706 C LEU A 43 6.241 9.553 0.543 1.00 0.00 C ATOM 707 O LEU A 43 7.328 9.657 0.009 1.00 0.00 O ATOM 708 CB LEU A 43 4.504 8.050 -0.481 1.00 0.00 C ATOM 709 CG LEU A 43 3.505 6.944 -0.131 1.00 0.00 C ATOM 710 CD1 LEU A 43 2.725 6.550 -1.385 1.00 0.00 C ATOM 711 CD2 LEU A 43 4.255 5.721 0.405 1.00 0.00 C ATOM 0 H LEU A 43 3.762 8.404 1.821 1.00 0.00 H new ATOM 0 HA LEU A 43 6.300 7.429 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.978 8.992 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.009 7.813 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 43 2.816 7.308 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.013 5.762 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.188 7.418 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.417 6.188 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.541 4.936 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.946 5.356 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.813 5.999 1.299 1.00 0.00 H new ATOM 723 N GLY A 44 5.635 10.589 1.052 1.00 0.00 N ATOM 724 CA GLY A 44 6.276 11.933 0.986 1.00 0.00 C ATOM 725 C GLY A 44 6.403 12.368 -0.476 1.00 0.00 C ATOM 726 O GLY A 44 7.482 12.649 -0.957 1.00 0.00 O ATOM 0 H GLY A 44 4.724 10.564 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.682 12.658 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.260 11.901 1.454 1.00 0.00 H new ATOM 730 N LEU A 45 5.309 12.428 -1.185 1.00 0.00 N ATOM 731 CA LEU A 45 5.370 12.847 -2.615 1.00 0.00 C ATOM 732 C LEU A 45 6.214 14.116 -2.759 1.00 0.00 C ATOM 733 O LEU A 45 6.628 14.711 -1.783 1.00 0.00 O ATOM 734 CB LEU A 45 3.918 13.122 -3.007 1.00 0.00 C ATOM 735 CG LEU A 45 3.518 12.196 -4.156 1.00 0.00 C ATOM 736 CD1 LEU A 45 1.996 12.043 -4.179 1.00 0.00 C ATOM 737 CD2 LEU A 45 3.991 12.798 -5.481 1.00 0.00 C ATOM 0 H LEU A 45 4.376 12.205 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 45 5.828 12.088 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.262 12.962 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.802 14.163 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 45 3.979 11.218 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.709 11.383 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.659 11.617 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.534 13.020 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.707 12.139 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.528 13.775 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.075 12.909 -5.464 1.00 0.00 H new ATOM 749 N ARG A 46 6.471 14.536 -3.967 1.00 0.00 N ATOM 750 CA ARG A 46 7.289 15.769 -4.172 1.00 0.00 C ATOM 751 C ARG A 46 6.392 17.011 -4.148 1.00 0.00 C ATOM 752 O ARG A 46 5.384 17.046 -3.471 1.00 0.00 O ATOM 753 CB ARG A 46 7.929 15.599 -5.550 1.00 0.00 C ATOM 754 CG ARG A 46 9.363 16.131 -5.517 1.00 0.00 C ATOM 755 CD ARG A 46 10.307 15.099 -6.141 1.00 0.00 C ATOM 756 NE ARG A 46 11.672 15.663 -5.952 1.00 0.00 N ATOM 757 CZ ARG A 46 12.683 14.866 -5.734 1.00 0.00 C ATOM 758 NH1 ARG A 46 12.580 13.907 -4.855 1.00 0.00 N ATOM 759 NH2 ARG A 46 13.795 15.027 -6.397 1.00 0.00 N ATOM 0 H ARG A 46 6.151 14.080 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 46 8.036 15.901 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.927 14.547 -5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.348 16.135 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.425 17.073 -6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.662 16.338 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.210 14.129 -5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.085 14.948 -7.197 1.00 0.00 H new ATOM 0 HE ARG A 46 11.817 16.672 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.710 13.780 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.370 13.284 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.874 15.775 -7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.585 14.405 -6.227 1.00 0.00 H new ATOM 773 N ARG A 47 6.752 18.031 -4.881 1.00 0.00 N ATOM 774 CA ARG A 47 5.917 19.268 -4.899 1.00 0.00 C ATOM 775 C ARG A 47 6.046 19.980 -6.244 1.00 0.00 C ATOM 776 O ARG A 47 6.731 19.524 -7.139 1.00 0.00 O ATOM 777 CB ARG A 47 6.482 20.158 -3.790 1.00 0.00 C ATOM 778 CG ARG A 47 6.804 19.315 -2.557 1.00 0.00 C ATOM 779 CD ARG A 47 7.374 20.218 -1.461 1.00 0.00 C ATOM 780 NE ARG A 47 8.481 19.431 -0.852 1.00 0.00 N ATOM 781 CZ ARG A 47 8.754 19.563 0.416 1.00 0.00 C ATOM 782 NH1 ARG A 47 9.196 20.703 0.874 1.00 0.00 N ATOM 783 NH2 ARG A 47 8.586 18.556 1.228 1.00 0.00 N ATOM 0 H ARG A 47 7.586 18.061 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 47 4.862 19.040 -4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.382 20.663 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.761 20.934 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.904 18.814 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.522 18.536 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.739 21.158 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.614 20.469 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 47 9.026 18.788 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.328 21.491 0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.409 20.806 1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.241 17.665 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.800 18.660 2.220 1.00 0.00 H new ATOM 797 N LEU A 48 5.403 21.106 -6.387 1.00 0.00 N ATOM 798 CA LEU A 48 5.498 21.858 -7.667 1.00 0.00 C ATOM 799 C LEU A 48 6.920 22.397 -7.835 1.00 0.00 C ATOM 800 O LEU A 48 7.827 22.008 -7.126 1.00 0.00 O ATOM 801 CB LEU A 48 4.498 23.008 -7.529 1.00 0.00 C ATOM 802 CG LEU A 48 3.104 22.519 -7.923 1.00 0.00 C ATOM 803 CD1 LEU A 48 2.314 22.153 -6.664 1.00 0.00 C ATOM 804 CD2 LEU A 48 2.370 23.629 -8.680 1.00 0.00 C ATOM 0 H LEU A 48 4.816 21.537 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 48 5.279 21.239 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.490 23.376 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.796 23.842 -8.165 1.00 0.00 H new ATOM 0 HG LEU A 48 3.195 21.640 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.321 21.805 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.836 21.363 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.222 23.031 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.376 23.282 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.280 24.507 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.931 23.890 -9.578 1.00 0.00 H new ATOM 816 N ALA A 49 7.128 23.274 -8.771 1.00 0.00 N ATOM 817 CA ALA A 49 8.499 23.819 -8.985 1.00 0.00 C ATOM 818 C ALA A 49 8.734 25.065 -8.126 1.00 0.00 C ATOM 819 O ALA A 49 7.822 25.808 -7.820 1.00 0.00 O ATOM 820 CB ALA A 49 8.557 24.177 -10.469 1.00 0.00 C ATOM 0 H ALA A 49 6.411 23.639 -9.398 1.00 0.00 H new ATOM 0 HA ALA A 49 9.267 23.099 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.539 24.586 -10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.383 23.282 -11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.791 24.918 -10.695 1.00 0.00 H new ATOM 826 N TYR A 50 9.962 25.300 -7.748 1.00 0.00 N ATOM 827 CA TYR A 50 10.281 26.496 -6.923 1.00 0.00 C ATOM 828 C TYR A 50 9.615 27.758 -7.495 1.00 0.00 C ATOM 829 O TYR A 50 9.034 28.526 -6.754 1.00 0.00 O ATOM 830 CB TYR A 50 11.803 26.622 -6.974 1.00 0.00 C ATOM 831 CG TYR A 50 12.293 27.172 -5.658 1.00 0.00 C ATOM 832 CD1 TYR A 50 12.059 28.512 -5.331 1.00 0.00 C ATOM 833 CD2 TYR A 50 12.972 26.339 -4.759 1.00 0.00 C ATOM 834 CE1 TYR A 50 12.506 29.022 -4.108 1.00 0.00 C ATOM 835 CE2 TYR A 50 13.418 26.849 -3.534 1.00 0.00 C ATOM 836 CZ TYR A 50 13.185 28.191 -3.209 1.00 0.00 C ATOM 837 OH TYR A 50 13.623 28.693 -2.001 1.00 0.00 O ATOM 0 H TYR A 50 10.761 24.710 -7.978 1.00 0.00 H new ATOM 0 HA TYR A 50 9.911 26.390 -5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 50 12.255 25.649 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.099 27.280 -7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.533 29.153 -6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 50 13.151 25.304 -5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.327 30.057 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.941 26.208 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 50 14.074 27.984 -1.496 1.00 0.00 H new ATOM 847 N PRO A 51 9.712 27.946 -8.793 1.00 0.00 N ATOM 848 CA PRO A 51 9.096 29.139 -9.431 1.00 0.00 C ATOM 849 C PRO A 51 7.577 29.139 -9.229 1.00 0.00 C ATOM 850 O PRO A 51 6.980 28.106 -9.021 1.00 0.00 O ATOM 851 CB PRO A 51 9.488 29.013 -10.904 1.00 0.00 C ATOM 852 CG PRO A 51 9.767 27.561 -11.090 1.00 0.00 C ATOM 853 CD PRO A 51 10.378 27.093 -9.797 1.00 0.00 C ATOM 0 HA PRO A 51 9.437 30.081 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.685 29.350 -11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.364 29.619 -11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.852 27.012 -11.311 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.447 27.397 -11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.187 26.035 -9.619 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.460 27.228 -9.789 1.00 0.00 H new ATOM 861 N ILE A 52 6.983 30.313 -9.261 1.00 0.00 N ATOM 862 CA ILE A 52 5.504 30.495 -9.049 1.00 0.00 C ATOM 863 C ILE A 52 4.763 29.194 -8.690 1.00 0.00 C ATOM 864 O ILE A 52 4.778 28.227 -9.426 1.00 0.00 O ATOM 865 CB ILE A 52 5.008 31.068 -10.387 1.00 0.00 C ATOM 866 CG1 ILE A 52 3.917 32.102 -10.111 1.00 0.00 C ATOM 867 CG2 ILE A 52 4.449 29.959 -11.290 1.00 0.00 C ATOM 868 CD1 ILE A 52 2.824 31.473 -9.245 1.00 0.00 C ATOM 0 H ILE A 52 7.482 31.186 -9.432 1.00 0.00 H new ATOM 0 HA ILE A 52 5.308 31.145 -8.196 1.00 0.00 H new ATOM 0 HB ILE A 52 5.849 31.533 -10.902 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.342 32.969 -9.605 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.492 32.457 -11.050 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.106 30.393 -12.229 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.230 29.227 -11.493 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.614 29.469 -10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.046 32.211 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.391 30.620 -9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.255 31.139 -8.301 1.00 0.00 H new ATOM 880 N ALA A 53 4.103 29.203 -7.549 1.00 0.00 N ATOM 881 CA ALA A 53 3.320 28.016 -7.061 1.00 0.00 C ATOM 882 C ALA A 53 4.213 27.080 -6.244 1.00 0.00 C ATOM 883 O ALA A 53 4.502 25.971 -6.648 1.00 0.00 O ATOM 884 CB ALA A 53 2.777 27.298 -8.300 1.00 0.00 C ATOM 0 H ALA A 53 4.075 30.006 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 53 2.505 28.332 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.200 26.426 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.136 27.977 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.608 26.979 -8.929 1.00 0.00 H new ATOM 890 N LYS A 54 4.643 27.515 -5.089 1.00 0.00 N ATOM 891 CA LYS A 54 5.503 26.647 -4.236 1.00 0.00 C ATOM 892 C LYS A 54 4.625 25.800 -3.312 1.00 0.00 C ATOM 893 O LYS A 54 4.844 25.725 -2.120 1.00 0.00 O ATOM 894 CB LYS A 54 6.371 27.612 -3.429 1.00 0.00 C ATOM 895 CG LYS A 54 7.140 28.527 -4.384 1.00 0.00 C ATOM 896 CD LYS A 54 7.947 29.547 -3.579 1.00 0.00 C ATOM 897 CE LYS A 54 8.278 30.750 -4.464 1.00 0.00 C ATOM 898 NZ LYS A 54 9.761 30.882 -4.400 1.00 0.00 N ATOM 0 H LYS A 54 4.435 28.435 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 54 6.112 25.957 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.748 28.207 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.067 27.055 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.806 27.936 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.446 29.041 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.378 29.869 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.865 29.090 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.940 30.591 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.786 31.653 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.079 31.573 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.040 31.206 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.200 29.960 -4.594 1.00 0.00 H new ATOM 912 N ASP A 55 3.632 25.164 -3.865 1.00 0.00 N ATOM 913 CA ASP A 55 2.723 24.316 -3.040 1.00 0.00 C ATOM 914 C ASP A 55 3.098 22.844 -3.204 1.00 0.00 C ATOM 915 O ASP A 55 3.880 22.496 -4.068 1.00 0.00 O ATOM 916 CB ASP A 55 1.321 24.580 -3.591 1.00 0.00 C ATOM 917 CG ASP A 55 0.600 25.589 -2.696 1.00 0.00 C ATOM 918 OD1 ASP A 55 0.996 25.722 -1.549 1.00 0.00 O ATOM 919 OD2 ASP A 55 -0.337 26.208 -3.171 1.00 0.00 O ATOM 0 H ASP A 55 3.408 25.194 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 55 2.788 24.548 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.386 24.963 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.756 23.649 -3.636 1.00 0.00 H new ATOM 924 N PRO A 56 2.528 22.022 -2.367 1.00 0.00 N ATOM 925 CA PRO A 56 2.810 20.568 -2.424 1.00 0.00 C ATOM 926 C PRO A 56 2.285 19.988 -3.737 1.00 0.00 C ATOM 927 O PRO A 56 1.429 20.563 -4.381 1.00 0.00 O ATOM 928 CB PRO A 56 2.061 20.009 -1.215 1.00 0.00 C ATOM 929 CG PRO A 56 0.990 21.011 -0.940 1.00 0.00 C ATOM 930 CD PRO A 56 1.565 22.352 -1.312 1.00 0.00 C ATOM 0 HA PRO A 56 3.872 20.324 -2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.640 19.027 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.724 19.892 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.096 20.795 -1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.698 20.990 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.795 23.035 -1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.048 22.833 -0.462 1.00 0.00 H new ATOM 938 N GLN A 57 2.796 18.864 -4.149 1.00 0.00 N ATOM 939 CA GLN A 57 2.336 18.265 -5.426 1.00 0.00 C ATOM 940 C GLN A 57 1.077 17.424 -5.192 1.00 0.00 C ATOM 941 O GLN A 57 -0.033 17.896 -5.339 1.00 0.00 O ATOM 942 CB GLN A 57 3.508 17.390 -5.879 1.00 0.00 C ATOM 943 CG GLN A 57 3.009 16.309 -6.835 1.00 0.00 C ATOM 944 CD GLN A 57 3.920 16.247 -8.061 1.00 0.00 C ATOM 945 OE1 GLN A 57 3.469 15.970 -9.156 1.00 0.00 O ATOM 946 NE2 GLN A 57 5.194 16.494 -7.924 1.00 0.00 N ATOM 0 H GLN A 57 3.514 18.334 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 57 2.071 19.012 -6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.262 18.004 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.986 16.930 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.994 15.343 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.985 16.524 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.573 16.726 -7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.811 16.455 -8.735 1.00 0.00 H new ATOM 955 N GLY A 58 1.244 16.182 -4.829 1.00 0.00 N ATOM 956 CA GLY A 58 0.064 15.307 -4.583 1.00 0.00 C ATOM 957 C GLY A 58 0.248 14.580 -3.250 1.00 0.00 C ATOM 958 O GLY A 58 1.254 14.729 -2.587 1.00 0.00 O ATOM 0 H GLY A 58 2.150 15.734 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.848 15.903 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.044 14.585 -5.393 1.00 0.00 H new ATOM 962 N TYR A 59 -0.712 13.792 -2.849 1.00 0.00 N ATOM 963 CA TYR A 59 -0.578 13.063 -1.556 1.00 0.00 C ATOM 964 C TYR A 59 -0.982 11.596 -1.719 1.00 0.00 C ATOM 965 O TYR A 59 -2.127 11.281 -1.979 1.00 0.00 O ATOM 966 CB TYR A 59 -1.532 13.774 -0.596 1.00 0.00 C ATOM 967 CG TYR A 59 -0.750 14.317 0.577 1.00 0.00 C ATOM 968 CD1 TYR A 59 -0.386 13.467 1.629 1.00 0.00 C ATOM 969 CD2 TYR A 59 -0.389 15.669 0.612 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.340 13.971 2.715 1.00 0.00 C ATOM 971 CE2 TYR A 59 0.337 16.171 1.698 1.00 0.00 C ATOM 972 CZ TYR A 59 0.701 15.323 2.749 1.00 0.00 C ATOM 973 OH TYR A 59 1.418 15.819 3.820 1.00 0.00 O ATOM 0 H TYR A 59 -1.579 13.622 -3.358 1.00 0.00 H new ATOM 0 HA TYR A 59 0.450 13.068 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.046 14.585 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.298 13.081 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.665 12.424 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.671 16.324 -0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.622 13.316 3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.616 17.214 1.725 1.00 0.00 H new ATOM 0 HH TYR A 59 1.587 16.775 3.686 1.00 0.00 H new ATOM 983 N PHE A 60 -0.051 10.698 -1.555 1.00 0.00 N ATOM 984 CA PHE A 60 -0.380 9.249 -1.685 1.00 0.00 C ATOM 985 C PHE A 60 -0.139 8.553 -0.345 1.00 0.00 C ATOM 986 O PHE A 60 0.882 8.741 0.286 1.00 0.00 O ATOM 987 CB PHE A 60 0.575 8.715 -2.753 1.00 0.00 C ATOM 988 CG PHE A 60 -0.190 8.471 -4.033 1.00 0.00 C ATOM 989 CD1 PHE A 60 -1.031 9.465 -4.547 1.00 0.00 C ATOM 990 CD2 PHE A 60 -0.056 7.250 -4.707 1.00 0.00 C ATOM 991 CE1 PHE A 60 -1.739 9.239 -5.734 1.00 0.00 C ATOM 992 CE2 PHE A 60 -0.764 7.024 -5.893 1.00 0.00 C ATOM 993 CZ PHE A 60 -1.604 8.018 -6.407 1.00 0.00 C ATOM 0 H PHE A 60 0.924 10.904 -1.337 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.420 9.076 -1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.379 9.430 -2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.039 7.790 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.134 10.407 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.594 6.483 -4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.389 10.006 -6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.662 6.082 -6.412 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.149 7.844 -7.323 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.072 7.764 0.106 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.887 7.078 1.418 1.00 0.00 C ATOM 1005 C LEU A 61 -0.803 5.562 1.233 1.00 0.00 C ATOM 1006 O LEU A 61 -1.439 4.990 0.372 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.120 7.432 2.257 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.606 8.845 1.922 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -3.900 9.135 2.686 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.535 9.860 2.329 1.00 0.00 C ATOM 0 H LEU A 61 -1.950 7.564 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 61 0.038 7.396 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.916 6.712 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.877 7.366 3.318 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.793 8.921 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.246 10.141 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.663 8.411 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.715 9.060 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.879 10.867 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.349 9.783 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.613 9.654 1.785 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.029 4.915 2.054 1.00 0.00 N ATOM 1023 CA TRP A 62 0.101 3.434 1.961 1.00 0.00 C ATOM 1024 C TRP A 62 -0.321 2.811 3.294 1.00 0.00 C ATOM 1025 O TRP A 62 0.269 3.075 4.323 1.00 0.00 O ATOM 1026 CB TRP A 62 1.586 3.182 1.695 1.00 0.00 C ATOM 1027 CG TRP A 62 1.745 1.932 0.890 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.544 1.838 -0.444 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.135 0.602 1.340 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.785 0.535 -0.842 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.153 -0.264 0.222 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.472 0.068 2.598 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.491 -1.613 0.345 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.815 -1.288 2.726 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.823 -2.127 1.602 1.00 0.00 C ATOM 0 H TRP A 62 0.524 5.350 2.792 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.524 3.000 1.181 1.00 0.00 H new ATOM 0 HB2 TRP A 62 2.019 4.028 1.161 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.125 3.090 2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.244 2.648 -1.093 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.701 0.205 -1.804 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.467 0.705 3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.496 -2.254 -0.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.074 -1.687 3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.085 -3.169 1.708 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.342 2.000 3.295 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.789 1.389 4.576 1.00 0.00 C ATOM 1048 C TYR A 63 -1.888 -0.130 4.446 1.00 0.00 C ATOM 1049 O TYR A 63 -2.266 -0.653 3.416 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.171 1.990 4.838 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.024 3.253 5.650 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.881 3.177 7.040 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.030 4.500 5.014 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -2.745 4.349 7.794 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -2.894 5.670 5.768 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.751 5.596 7.158 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.616 6.750 7.901 1.00 0.00 O ATOM 0 H TYR A 63 -1.882 1.736 2.471 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.089 1.589 5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.670 2.208 3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.796 1.273 5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.876 2.215 7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.140 4.559 3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.635 4.291 8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.899 6.632 5.277 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.640 7.528 7.305 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.566 -0.842 5.490 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.659 -2.326 5.434 1.00 0.00 C ATOM 1069 C GLN A 64 -3.025 -2.757 5.968 1.00 0.00 C ATOM 1070 O GLN A 64 -3.425 -2.380 7.051 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.537 -2.837 6.339 1.00 0.00 C ATOM 1072 CG GLN A 64 0.770 -2.901 5.547 1.00 0.00 C ATOM 1073 CD GLN A 64 1.644 -1.699 5.907 1.00 0.00 C ATOM 1074 OE1 GLN A 64 1.441 -0.612 5.402 1.00 0.00 O ATOM 1075 NE2 GLN A 64 2.614 -1.847 6.767 1.00 0.00 N ATOM 0 H GLN A 64 -1.243 -0.460 6.379 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.558 -2.720 4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.421 -2.178 7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.789 -3.825 6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.298 -3.828 5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.560 -2.904 4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.785 -2.759 7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.201 -1.051 7.015 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.758 -3.518 5.207 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.108 -3.937 5.665 1.00 0.00 C ATOM 1086 C VAL A 65 -5.236 -5.462 5.694 1.00 0.00 C ATOM 1087 O VAL A 65 -4.356 -6.180 5.264 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.042 -3.344 4.618 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.880 -1.827 4.598 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -5.675 -3.900 3.242 1.00 0.00 C ATOM 0 H VAL A 65 -3.481 -3.867 4.290 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.328 -3.600 6.678 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.073 -3.603 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.547 -1.400 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.128 -1.422 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.849 -1.574 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.341 -3.478 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.645 -3.634 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.777 -4.985 3.249 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.335 -5.956 6.194 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.541 -7.432 6.250 1.00 0.00 C ATOM 1102 C GLU A 66 -7.943 -7.770 5.747 1.00 0.00 C ATOM 1103 O GLU A 66 -8.668 -8.540 6.346 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.395 -7.802 7.726 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.398 -6.993 8.551 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.201 -7.938 9.446 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -7.721 -8.256 10.522 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -9.283 -8.329 9.039 1.00 0.00 O ATOM 0 H GLU A 66 -7.103 -5.399 6.568 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.831 -7.978 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.569 -8.869 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.379 -7.598 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.874 -6.256 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.068 -6.443 7.891 1.00 0.00 H new ATOM 1115 N MET A 67 -8.326 -7.188 4.648 1.00 0.00 N ATOM 1116 CA MET A 67 -9.682 -7.451 4.084 1.00 0.00 C ATOM 1117 C MET A 67 -9.564 -8.192 2.750 1.00 0.00 C ATOM 1118 O MET A 67 -8.540 -8.136 2.098 1.00 0.00 O ATOM 1119 CB MET A 67 -10.303 -6.068 3.883 1.00 0.00 C ATOM 1120 CG MET A 67 -9.667 -5.391 2.667 1.00 0.00 C ATOM 1121 SD MET A 67 -9.262 -3.675 3.075 1.00 0.00 S ATOM 1122 CE MET A 67 -10.171 -2.899 1.717 1.00 0.00 C ATOM 0 H MET A 67 -7.755 -6.536 4.110 1.00 0.00 H new ATOM 0 HA MET A 67 -10.289 -8.076 4.739 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.380 -6.159 3.739 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.151 -5.457 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.766 -5.927 2.369 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.352 -5.423 1.820 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.057 -1.817 1.775 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.777 -3.255 0.765 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.227 -3.157 1.792 1.00 0.00 H new ATOM 1132 N PRO A 68 -10.623 -8.868 2.392 1.00 0.00 N ATOM 1133 CA PRO A 68 -10.644 -9.638 1.122 1.00 0.00 C ATOM 1134 C PRO A 68 -10.609 -8.689 -0.079 1.00 0.00 C ATOM 1135 O PRO A 68 -11.254 -7.659 -0.091 1.00 0.00 O ATOM 1136 CB PRO A 68 -11.966 -10.401 1.191 1.00 0.00 C ATOM 1137 CG PRO A 68 -12.821 -9.599 2.117 1.00 0.00 C ATOM 1138 CD PRO A 68 -11.889 -8.974 3.122 1.00 0.00 C ATOM 0 HA PRO A 68 -9.786 -10.300 1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.424 -10.489 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.819 -11.414 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.373 -8.834 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.558 -10.232 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.247 -7.998 3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.788 -9.592 4.014 1.00 0.00 H new ATOM 1146 N GLU A 69 -9.851 -9.028 -1.086 1.00 0.00 N ATOM 1147 CA GLU A 69 -9.758 -8.147 -2.286 1.00 0.00 C ATOM 1148 C GLU A 69 -11.146 -7.898 -2.883 1.00 0.00 C ATOM 1149 O GLU A 69 -11.352 -6.948 -3.612 1.00 0.00 O ATOM 1150 CB GLU A 69 -8.884 -8.921 -3.272 1.00 0.00 C ATOM 1151 CG GLU A 69 -9.544 -10.262 -3.595 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.399 -10.119 -4.855 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.833 -9.856 -5.904 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -11.604 -10.274 -4.751 1.00 0.00 O ATOM 0 H GLU A 69 -9.291 -9.879 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.343 -7.169 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.747 -8.342 -4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.894 -9.084 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.783 -11.028 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.162 -10.586 -2.758 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.100 -8.738 -2.586 1.00 0.00 N ATOM 1162 CA ASP A 70 -13.467 -8.533 -3.149 1.00 0.00 C ATOM 1163 C ASP A 70 -14.121 -7.300 -2.519 1.00 0.00 C ATOM 1164 O ASP A 70 -14.822 -6.556 -3.173 1.00 0.00 O ATOM 1165 CB ASP A 70 -14.244 -9.800 -2.788 1.00 0.00 C ATOM 1166 CG ASP A 70 -15.333 -10.043 -3.834 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -15.026 -10.643 -4.851 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -16.455 -9.623 -3.601 1.00 0.00 O ATOM 0 H ASP A 70 -11.994 -9.553 -1.982 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.447 -8.364 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.568 -10.654 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.691 -9.697 -1.799 1.00 0.00 H new ATOM 1173 N ARG A 71 -13.897 -7.078 -1.254 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.501 -5.898 -0.587 1.00 0.00 C ATOM 1175 C ARG A 71 -13.805 -4.616 -1.049 1.00 0.00 C ATOM 1176 O ARG A 71 -14.194 -3.521 -0.689 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.269 -6.130 0.907 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.563 -6.621 1.559 1.00 0.00 C ATOM 1179 CD ARG A 71 -15.230 -7.385 2.842 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.370 -7.112 3.760 1.00 0.00 N ATOM 1181 CZ ARG A 71 -16.829 -8.060 4.531 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -16.024 -8.685 5.346 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -18.092 -8.383 4.485 1.00 0.00 N ATOM 0 H ARG A 71 -13.319 -7.667 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.559 -5.784 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.476 -6.864 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.939 -5.206 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.213 -5.775 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.108 -7.266 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.125 -8.453 2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.288 -7.044 3.271 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.792 -6.184 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.036 -8.433 5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.382 -9.426 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.720 -7.895 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.451 -9.124 5.087 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.772 -4.742 -1.837 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.044 -3.534 -2.314 1.00 0.00 C ATOM 1199 C VAL A 72 -12.992 -2.595 -3.059 1.00 0.00 C ATOM 1200 O VAL A 72 -12.992 -1.399 -2.843 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.954 -4.068 -3.247 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.556 -4.455 -4.600 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.898 -2.987 -3.457 1.00 0.00 C ATOM 0 H VAL A 72 -12.401 -5.631 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.623 -2.956 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.501 -4.950 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.770 -4.833 -5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.310 -5.228 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.017 -3.579 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.120 -3.363 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.362 -2.107 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.457 -2.718 -2.497 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.805 -3.120 -3.929 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.753 -2.243 -4.670 1.00 0.00 C ATOM 1215 C ASN A 73 -15.754 -1.636 -3.688 1.00 0.00 C ATOM 1216 O ASN A 73 -16.100 -0.476 -3.772 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.462 -3.164 -5.664 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.712 -2.464 -6.201 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -17.705 -3.103 -6.489 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -16.706 -1.167 -6.348 1.00 0.00 N ATOM 0 H ASN A 73 -13.855 -4.112 -4.159 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.253 -1.419 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.791 -3.416 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.736 -4.100 -5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.534 -0.690 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.873 -0.630 -6.106 1.00 0.00 H new ATOM 1227 N ASP A 74 -16.215 -2.420 -2.752 1.00 0.00 N ATOM 1228 CA ASP A 74 -17.188 -1.906 -1.755 1.00 0.00 C ATOM 1229 C ASP A 74 -16.557 -0.787 -0.922 1.00 0.00 C ATOM 1230 O ASP A 74 -17.126 0.274 -0.759 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.516 -3.112 -0.874 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.755 -2.806 -0.028 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -19.617 -2.091 -0.513 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.821 -3.293 1.089 1.00 0.00 O ATOM 0 H ASP A 74 -15.956 -3.400 -2.637 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.078 -1.485 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.694 -3.991 -1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.670 -3.344 -0.228 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.385 -1.016 -0.391 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.719 0.017 0.427 1.00 0.00 C ATOM 1241 C LEU A 75 -14.273 1.187 -0.455 1.00 0.00 C ATOM 1242 O LEU A 75 -14.329 2.334 -0.060 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.508 -0.705 1.029 1.00 0.00 C ATOM 1244 CG LEU A 75 -13.086 -0.009 2.318 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -13.186 1.499 2.116 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -14.016 -0.436 3.455 1.00 0.00 C ATOM 0 H LEU A 75 -14.863 -1.886 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.372 0.439 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.757 -1.747 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.682 -0.707 0.318 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.062 -0.282 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.887 2.009 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.529 1.801 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.214 1.766 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.715 0.061 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.041 -0.158 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.955 -1.516 3.589 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.847 0.904 -1.655 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.418 1.994 -2.576 1.00 0.00 C ATOM 1260 C ALA A 76 -14.635 2.837 -2.919 1.00 0.00 C ATOM 1261 O ALA A 76 -14.582 4.047 -3.022 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.878 1.285 -3.818 1.00 0.00 C ATOM 0 H ALA A 76 -13.777 -0.039 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.663 2.651 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.542 2.026 -4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.040 0.647 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.666 0.676 -4.261 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.733 2.174 -3.101 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.999 2.858 -3.448 1.00 0.00 C ATOM 1270 C ARG A 77 -17.348 3.921 -2.401 1.00 0.00 C ATOM 1271 O ARG A 77 -17.867 4.970 -2.722 1.00 0.00 O ATOM 1272 CB ARG A 77 -18.016 1.724 -3.424 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.485 1.427 -4.850 1.00 0.00 C ATOM 1274 CD ARG A 77 -20.011 1.329 -4.878 1.00 0.00 C ATOM 1275 NE ARG A 77 -20.485 2.739 -4.899 1.00 0.00 N ATOM 1276 CZ ARG A 77 -21.286 3.145 -5.845 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -22.083 2.296 -6.436 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -21.290 4.400 -6.201 1.00 0.00 N ATOM 0 H ARG A 77 -15.808 1.160 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.958 3.382 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.571 0.832 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.867 1.998 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.149 2.213 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.044 0.494 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -20.356 0.783 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.389 0.798 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.183 3.389 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -22.079 1.315 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.709 2.614 -7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.667 5.063 -5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.916 4.718 -6.941 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.070 3.660 -1.154 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.393 4.665 -0.097 1.00 0.00 C ATOM 1294 C GLU A 78 -16.451 5.867 -0.202 1.00 0.00 C ATOM 1295 O GLU A 78 -16.868 7.005 -0.110 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.182 3.932 1.228 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.814 2.541 1.149 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.111 2.034 2.561 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -19.055 2.524 3.158 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -17.388 1.165 3.019 1.00 0.00 O ATOM 0 H GLU A 78 -16.635 2.800 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.409 5.049 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.117 3.847 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.628 4.500 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.733 2.580 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.141 1.853 0.638 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.184 5.624 -0.392 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.215 6.753 -0.501 1.00 0.00 C ATOM 1309 C LEU A 79 -14.463 7.543 -1.791 1.00 0.00 C ATOM 1310 O LEU A 79 -14.210 8.727 -1.862 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.838 6.089 -0.537 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.577 5.382 0.795 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -11.168 4.790 0.795 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -12.704 6.391 1.939 1.00 0.00 C ATOM 0 H LEU A 79 -14.777 4.693 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.308 7.458 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.789 5.372 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.067 6.837 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.305 4.582 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.985 4.287 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.075 4.072 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.438 5.588 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.518 5.889 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.975 7.190 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.709 6.813 1.942 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.953 6.893 -2.808 1.00 0.00 N ATOM 1327 CA ARG A 80 -15.220 7.600 -4.095 1.00 0.00 C ATOM 1328 C ARG A 80 -16.461 8.489 -3.971 1.00 0.00 C ATOM 1329 O ARG A 80 -16.644 9.429 -4.719 1.00 0.00 O ATOM 1330 CB ARG A 80 -15.454 6.486 -5.116 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.964 7.090 -6.425 1.00 0.00 C ATOM 1332 CD ARG A 80 -17.492 7.022 -6.457 1.00 0.00 C ATOM 1333 NE ARG A 80 -17.887 7.856 -7.624 1.00 0.00 N ATOM 1334 CZ ARG A 80 -18.566 8.954 -7.440 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -17.954 10.043 -7.064 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -19.855 8.963 -7.632 1.00 0.00 N ATOM 0 H ARG A 80 -15.182 5.899 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.396 8.253 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.527 5.940 -5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.178 5.769 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.633 8.125 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.547 6.549 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.840 5.995 -6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.924 7.406 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.627 7.569 -8.568 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.945 10.035 -6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.484 10.902 -6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.333 8.111 -7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.386 9.822 -7.488 1.00 0.00 H new ATOM 1350 N ILE A 81 -17.327 8.182 -3.045 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.572 8.987 -2.881 1.00 0.00 C ATOM 1352 C ILE A 81 -18.258 10.434 -2.472 1.00 0.00 C ATOM 1353 O ILE A 81 -18.845 11.364 -2.988 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.349 8.265 -1.777 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -20.064 7.052 -2.376 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.381 9.210 -1.159 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -21.136 7.523 -3.362 1.00 0.00 C ATOM 0 H ILE A 81 -17.226 7.405 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.135 9.060 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.655 7.940 -1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.346 6.408 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -20.520 6.458 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.929 8.688 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.873 10.075 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.078 9.542 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.644 6.658 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -21.860 8.149 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.668 8.098 -4.161 1.00 0.00 H new ATOM 1369 N ARG A 82 -17.362 10.643 -1.545 1.00 0.00 N ATOM 1370 CA ARG A 82 -17.066 12.047 -1.124 1.00 0.00 C ATOM 1371 C ARG A 82 -16.494 12.860 -2.280 1.00 0.00 C ATOM 1372 O ARG A 82 -15.853 12.344 -3.175 1.00 0.00 O ATOM 1373 CB ARG A 82 -16.049 11.968 0.011 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.923 10.997 -0.348 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.688 10.027 0.814 1.00 0.00 C ATOM 1376 NE ARG A 82 -16.028 9.451 1.117 1.00 0.00 N ATOM 1377 CZ ARG A 82 -16.613 9.717 2.253 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -15.916 9.742 3.357 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -17.895 9.958 2.286 1.00 0.00 N ATOM 0 H ARG A 82 -16.829 9.917 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.982 12.543 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.636 12.957 0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.541 11.641 0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.181 10.443 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.008 11.549 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.977 9.248 0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.276 10.543 1.681 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.489 8.848 0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.914 9.554 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.374 9.950 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.440 9.938 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.352 10.166 3.174 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.736 14.134 -2.252 1.00 0.00 N ATOM 1394 CA ASP A 83 -16.232 15.034 -3.331 1.00 0.00 C ATOM 1395 C ASP A 83 -14.716 15.236 -3.222 1.00 0.00 C ATOM 1396 O ASP A 83 -14.029 15.390 -4.212 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.961 16.358 -3.110 1.00 0.00 C ATOM 1398 CG ASP A 83 -18.292 16.341 -3.863 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -18.701 15.270 -4.279 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -18.879 17.400 -4.012 1.00 0.00 O ATOM 0 H ASP A 83 -17.269 14.602 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.415 14.617 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.135 16.516 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.345 17.187 -3.458 1.00 0.00 H new ATOM 1405 N ASN A 84 -14.192 15.258 -2.026 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.726 15.477 -1.854 1.00 0.00 C ATOM 1407 C ASN A 84 -11.924 14.342 -2.494 1.00 0.00 C ATOM 1408 O ASN A 84 -10.838 14.548 -2.999 1.00 0.00 O ATOM 1409 CB ASN A 84 -12.508 15.499 -0.342 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.904 16.868 0.213 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.985 17.031 0.744 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.071 17.867 0.108 1.00 0.00 N ATOM 0 H ASN A 84 -14.716 15.134 -1.160 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.394 16.397 -2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.101 14.717 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.463 15.290 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.327 18.785 0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.164 17.730 -0.338 1.00 0.00 H new ATOM 1419 N VAL A 85 -12.440 13.146 -2.477 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.694 12.014 -3.086 1.00 0.00 C ATOM 1421 C VAL A 85 -12.019 11.908 -4.578 1.00 0.00 C ATOM 1422 O VAL A 85 -13.163 11.769 -4.965 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.191 10.779 -2.336 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.625 9.524 -2.996 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.723 10.845 -0.881 1.00 0.00 C ATOM 0 H VAL A 85 -13.343 12.905 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.613 12.134 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.280 10.747 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.978 8.642 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.956 9.478 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.536 9.556 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.077 9.965 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.634 10.875 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.124 11.742 -0.410 1.00 0.00 H new ATOM 1435 N ARG A 86 -11.022 11.973 -5.420 1.00 0.00 N ATOM 1436 CA ARG A 86 -11.281 11.874 -6.884 1.00 0.00 C ATOM 1437 C ARG A 86 -11.290 10.407 -7.312 1.00 0.00 C ATOM 1438 O ARG A 86 -12.049 10.005 -8.171 1.00 0.00 O ATOM 1439 CB ARG A 86 -10.121 12.619 -7.549 1.00 0.00 C ATOM 1440 CG ARG A 86 -10.337 12.653 -9.063 1.00 0.00 C ATOM 1441 CD ARG A 86 -9.268 13.535 -9.712 1.00 0.00 C ATOM 1442 NE ARG A 86 -8.114 12.625 -9.952 1.00 0.00 N ATOM 1443 CZ ARG A 86 -7.079 13.048 -10.625 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -6.805 14.323 -10.666 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -6.318 12.196 -11.256 1.00 0.00 N ATOM 0 H ARG A 86 -10.043 12.090 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.246 12.298 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.055 13.634 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.177 12.126 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.287 11.643 -9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.330 13.040 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.628 13.971 -10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.989 14.363 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.132 11.671 -9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.400 14.989 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.996 14.654 -11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.532 11.199 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.509 12.527 -11.782 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.450 9.602 -6.719 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.415 8.163 -7.095 1.00 0.00 C ATOM 1461 C ARG A 87 -9.656 7.361 -6.033 1.00 0.00 C ATOM 1462 O ARG A 87 -8.751 7.856 -5.391 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.700 8.142 -8.458 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.652 7.024 -8.517 1.00 0.00 C ATOM 1465 CD ARG A 87 -8.217 6.808 -9.968 1.00 0.00 C ATOM 1466 NE ARG A 87 -7.138 7.809 -10.197 1.00 0.00 N ATOM 1467 CZ ARG A 87 -6.279 7.633 -11.164 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -6.578 8.003 -12.379 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -5.118 7.089 -10.914 1.00 0.00 N ATOM 0 H ARG A 87 -9.789 9.879 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.404 7.709 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.432 8.001 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.219 9.104 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.790 7.286 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.065 6.102 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.854 5.792 -10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.049 6.959 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.070 8.632 -9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.484 8.430 -12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.906 7.865 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.883 6.802 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.446 6.951 -11.669 1.00 0.00 H new ATOM 1483 N VAL A 88 -10.021 6.124 -5.849 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.326 5.282 -4.839 1.00 0.00 C ATOM 1485 C VAL A 88 -8.830 3.991 -5.495 1.00 0.00 C ATOM 1486 O VAL A 88 -9.600 3.235 -6.054 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.383 4.978 -3.777 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.589 6.210 -2.895 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.705 4.611 -4.456 1.00 0.00 C ATOM 0 H VAL A 88 -10.773 5.659 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.456 5.778 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.047 4.142 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.343 5.993 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.649 6.470 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.922 7.046 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.456 4.395 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.041 5.445 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.560 3.732 -5.083 1.00 0.00 H new ATOM 1499 N MET A 89 -7.553 3.736 -5.437 1.00 0.00 N ATOM 1500 CA MET A 89 -7.013 2.496 -6.064 1.00 0.00 C ATOM 1501 C MET A 89 -6.436 1.569 -4.994 1.00 0.00 C ATOM 1502 O MET A 89 -5.659 1.979 -4.155 1.00 0.00 O ATOM 1503 CB MET A 89 -5.912 2.975 -7.011 1.00 0.00 C ATOM 1504 CG MET A 89 -5.929 2.127 -8.285 1.00 0.00 C ATOM 1505 SD MET A 89 -6.281 3.187 -9.710 1.00 0.00 S ATOM 1506 CE MET A 89 -5.710 2.046 -10.994 1.00 0.00 C ATOM 0 H MET A 89 -6.860 4.331 -4.983 1.00 0.00 H new ATOM 0 HA MET A 89 -7.783 1.932 -6.589 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.063 4.026 -7.259 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.940 2.899 -6.524 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.968 1.630 -8.417 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.684 1.345 -8.204 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.838 2.507 -11.973 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.656 1.818 -10.836 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.291 1.125 -10.947 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.807 0.319 -5.020 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.277 -0.638 -4.007 1.00 0.00 C ATOM 1518 C VAL A 90 -5.594 -1.813 -4.710 1.00 0.00 C ATOM 1519 O VAL A 90 -6.222 -2.571 -5.423 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.503 -1.112 -3.227 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.152 -2.379 -2.446 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -7.937 -0.015 -2.253 1.00 0.00 C ATOM 0 H VAL A 90 -7.454 -0.082 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.535 -0.183 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.316 -1.328 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.026 -2.717 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.839 -3.159 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.340 -2.165 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.811 -0.349 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.124 0.199 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.186 0.888 -2.810 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.314 -1.966 -4.520 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.590 -3.086 -5.182 1.00 0.00 C ATOM 1534 C VAL A 91 -2.888 -3.955 -4.136 1.00 0.00 C ATOM 1535 O VAL A 91 -2.440 -3.473 -3.114 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.565 -2.407 -6.091 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -3.270 -1.840 -7.324 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.876 -1.269 -5.329 1.00 0.00 C ATOM 0 H VAL A 91 -3.737 -1.363 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.260 -3.741 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.819 -3.138 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.538 -1.356 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.757 -2.649 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.017 -1.110 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.146 -0.786 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.621 -0.538 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.371 -1.672 -4.452 1.00 0.00 H new ATOM 1548 N LYS A 92 -2.785 -5.231 -4.384 1.00 0.00 N ATOM 1549 CA LYS A 92 -2.105 -6.126 -3.404 1.00 0.00 C ATOM 1550 C LYS A 92 -0.625 -5.750 -3.299 1.00 0.00 C ATOM 1551 O LYS A 92 -0.021 -5.304 -4.253 1.00 0.00 O ATOM 1552 CB LYS A 92 -2.269 -7.536 -3.977 1.00 0.00 C ATOM 1553 CG LYS A 92 -1.301 -7.734 -5.147 1.00 0.00 C ATOM 1554 CD LYS A 92 -2.035 -8.404 -6.309 1.00 0.00 C ATOM 1555 CE LYS A 92 -1.497 -7.862 -7.636 1.00 0.00 C ATOM 1556 NZ LYS A 92 -1.646 -8.987 -8.600 1.00 0.00 N ATOM 0 H LYS A 92 -3.141 -5.693 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.525 -6.048 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.075 -8.278 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.295 -7.686 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.896 -6.773 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.456 -8.348 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.899 -9.485 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.106 -8.214 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.059 -6.986 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.455 -7.556 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.298 -8.692 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.095 -9.804 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.649 -9.252 -8.672 1.00 0.00 H new ATOM 1570 N SER A 93 -0.035 -5.924 -2.149 1.00 0.00 N ATOM 1571 CA SER A 93 1.406 -5.570 -1.996 1.00 0.00 C ATOM 1572 C SER A 93 1.932 -6.032 -0.634 1.00 0.00 C ATOM 1573 O SER A 93 1.212 -6.069 0.343 1.00 0.00 O ATOM 1574 CB SER A 93 1.451 -4.047 -2.098 1.00 0.00 C ATOM 1575 OG SER A 93 2.766 -3.639 -2.453 1.00 0.00 O ATOM 0 H SER A 93 -0.485 -6.294 -1.312 1.00 0.00 H new ATOM 0 HA SER A 93 2.028 -6.051 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.736 -3.700 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.163 -3.599 -1.147 1.00 0.00 H new ATOM 0 HG SER A 93 2.798 -2.662 -2.521 1.00 0.00 H new ATOM 1581 N GLN A 94 3.188 -6.381 -0.566 1.00 0.00 N ATOM 1582 CA GLN A 94 3.770 -6.839 0.728 1.00 0.00 C ATOM 1583 C GLN A 94 5.292 -6.663 0.707 1.00 0.00 C ATOM 1584 O GLN A 94 5.966 -7.139 -0.184 1.00 0.00 O ATOM 1585 CB GLN A 94 3.402 -8.318 0.826 1.00 0.00 C ATOM 1586 CG GLN A 94 4.038 -9.080 -0.339 1.00 0.00 C ATOM 1587 CD GLN A 94 3.023 -10.070 -0.914 1.00 0.00 C ATOM 1588 OE1 GLN A 94 1.835 -9.821 -0.893 1.00 0.00 O ATOM 1589 NE2 GLN A 94 3.446 -11.191 -1.430 1.00 0.00 N ATOM 0 H GLN A 94 3.837 -6.369 -1.352 1.00 0.00 H new ATOM 0 HA GLN A 94 3.393 -6.271 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.748 -8.728 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.319 -8.436 0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.360 -8.382 -1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.927 -9.611 0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.444 -11.400 -1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.778 -11.859 -1.816 1.00 0.00 H new ATOM 1598 N GLU A 95 5.836 -5.981 1.677 1.00 0.00 N ATOM 1599 CA GLU A 95 7.313 -5.776 1.703 1.00 0.00 C ATOM 1600 C GLU A 95 7.953 -6.648 2.785 1.00 0.00 C ATOM 1601 O GLU A 95 7.377 -6.863 3.833 1.00 0.00 O ATOM 1602 CB GLU A 95 7.503 -4.292 2.022 1.00 0.00 C ATOM 1603 CG GLU A 95 7.177 -4.036 3.496 1.00 0.00 C ATOM 1604 CD GLU A 95 6.700 -2.593 3.668 1.00 0.00 C ATOM 1605 OE1 GLU A 95 7.079 -1.764 2.858 1.00 0.00 O ATOM 1606 OE2 GLU A 95 5.965 -2.341 4.608 1.00 0.00 O ATOM 0 H GLU A 95 5.324 -5.558 2.451 1.00 0.00 H new ATOM 0 HA GLU A 95 7.783 -6.052 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.529 -3.993 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.856 -3.688 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.406 -4.728 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.059 -4.215 4.111 1.00 0.00 H new ATOM 1613 N PRO A 96 9.132 -7.124 2.488 1.00 0.00 N ATOM 1614 CA PRO A 96 9.870 -7.988 3.442 1.00 0.00 C ATOM 1615 C PRO A 96 10.418 -7.154 4.604 1.00 0.00 C ATOM 1616 O PRO A 96 11.595 -6.860 4.669 1.00 0.00 O ATOM 1617 CB PRO A 96 11.006 -8.561 2.599 1.00 0.00 C ATOM 1618 CG PRO A 96 11.209 -7.575 1.493 1.00 0.00 C ATOM 1619 CD PRO A 96 9.880 -6.906 1.246 1.00 0.00 C ATOM 0 HA PRO A 96 9.247 -8.762 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.913 -8.681 3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.748 -9.545 2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.966 -6.840 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.562 -8.075 0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.002 -5.843 1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 96 9.367 -7.344 0.390 1.00 0.00 H new ATOM 1627 N PHE A 97 9.572 -6.772 5.523 1.00 0.00 N ATOM 1628 CA PHE A 97 10.046 -5.959 6.678 1.00 0.00 C ATOM 1629 C PHE A 97 10.779 -6.847 7.688 1.00 0.00 C ATOM 1630 O PHE A 97 10.603 -8.050 7.714 1.00 0.00 O ATOM 1631 CB PHE A 97 8.778 -5.375 7.301 1.00 0.00 C ATOM 1632 CG PHE A 97 7.957 -6.484 7.916 1.00 0.00 C ATOM 1633 CD1 PHE A 97 8.185 -6.873 9.242 1.00 0.00 C ATOM 1634 CD2 PHE A 97 6.965 -7.121 7.161 1.00 0.00 C ATOM 1635 CE1 PHE A 97 7.422 -7.899 9.811 1.00 0.00 C ATOM 1636 CE2 PHE A 97 6.202 -8.147 7.731 1.00 0.00 C ATOM 1637 CZ PHE A 97 6.430 -8.536 9.055 1.00 0.00 C ATOM 0 H PHE A 97 8.575 -6.988 5.523 1.00 0.00 H new ATOM 0 HA PHE A 97 10.746 -5.181 6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.040 -4.639 8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 97 8.194 -4.855 6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.949 -6.381 9.825 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.788 -6.821 6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.598 -8.200 10.833 1.00 0.00 H new ATOM 0 HE2 PHE A 97 5.437 -8.638 7.148 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.841 -9.328 9.494 1.00 0.00 H new ATOM 1647 N LEU A 98 11.598 -6.264 8.516 1.00 0.00 N ATOM 1648 CA LEU A 98 12.342 -7.069 9.525 1.00 0.00 C ATOM 1649 C LEU A 98 11.655 -6.967 10.889 1.00 0.00 C ATOM 1650 O LEU A 98 10.918 -6.038 11.155 1.00 0.00 O ATOM 1651 CB LEU A 98 13.736 -6.443 9.574 1.00 0.00 C ATOM 1652 CG LEU A 98 14.682 -7.231 8.667 1.00 0.00 C ATOM 1653 CD1 LEU A 98 15.080 -6.365 7.468 1.00 0.00 C ATOM 1654 CD2 LEU A 98 15.937 -7.618 9.454 1.00 0.00 C ATOM 0 H LEU A 98 11.785 -5.262 8.538 1.00 0.00 H new ATOM 0 HA LEU A 98 12.380 -8.128 9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 98 13.690 -5.402 9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 98 14.111 -6.445 10.597 1.00 0.00 H new ATOM 0 HG LEU A 98 14.180 -8.132 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.754 -6.927 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.187 -6.087 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.582 -5.464 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.612 -8.180 8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 98 16.438 -6.716 9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 98 15.655 -8.234 10.308 1.00 0.00 H new ATOM 1666 N ALA A 99 11.886 -7.914 11.756 1.00 0.00 N ATOM 1667 CA ALA A 99 11.243 -7.866 13.101 1.00 0.00 C ATOM 1668 C ALA A 99 12.018 -8.739 14.091 1.00 0.00 C ATOM 1669 O ALA A 99 12.866 -8.265 14.819 1.00 0.00 O ATOM 1670 CB ALA A 99 9.832 -8.419 12.887 1.00 0.00 C ATOM 0 H ALA A 99 12.491 -8.718 11.592 1.00 0.00 H new ATOM 0 HA ALA A 99 11.227 -6.857 13.514 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.293 -8.416 13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.302 -7.796 12.166 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.895 -9.439 12.508 1.00 0.00 H new ATOM 1676 N ASN A 100 11.732 -10.011 14.124 1.00 0.00 N ATOM 1677 CA ASN A 100 12.453 -10.911 15.067 1.00 0.00 C ATOM 1678 C ASN A 100 13.941 -10.968 14.710 1.00 0.00 C ATOM 1679 O ASN A 100 14.758 -11.431 15.480 1.00 0.00 O ATOM 1680 CB ASN A 100 11.801 -12.283 14.882 1.00 0.00 C ATOM 1681 CG ASN A 100 12.203 -12.859 13.523 1.00 0.00 C ATOM 1682 OD1 ASN A 100 13.374 -12.997 13.231 1.00 0.00 O ATOM 1683 ND2 ASN A 100 11.273 -13.204 12.675 1.00 0.00 N ATOM 0 H ASN A 100 11.031 -10.466 13.539 1.00 0.00 H new ATOM 0 HA ASN A 100 12.389 -10.566 16.099 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.112 -12.956 15.681 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.716 -12.194 14.945 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.529 -13.590 11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.290 -13.088 12.921 1.00 0.00 H new ATOM 1690 N ALA A 101 14.300 -10.498 13.545 1.00 0.00 N ATOM 1691 CA ALA A 101 15.735 -10.524 13.141 1.00 0.00 C ATOM 1692 C ALA A 101 16.517 -9.448 13.902 1.00 0.00 C ATOM 1693 O ALA A 101 16.092 -9.094 14.988 1.00 0.00 O ATOM 1694 CB ALA A 101 15.734 -10.224 11.642 1.00 0.00 C ATOM 1695 OXT ALA A 101 17.525 -8.998 13.383 1.00 0.00 O ATOM 0 H ALA A 101 13.662 -10.098 12.857 1.00 0.00 H new ATOM 0 HA ALA A 101 16.208 -11.481 13.363 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.759 -10.226 11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.157 -10.986 11.119 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.286 -9.246 11.467 1.00 0.00 H new TER 1701 ALA A 101