USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 GLN : amide:sc= -0.368 X(o=-2.4,f=-2.5) USER MOD Set 1.2: A 95 ASN : amide:sc= -1.98! C(o=-2.4!,f=-8.3!) USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= 1.25 F(o=0.35,f=2.1) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.87 K(o=2.1,f=-6.3!) USER MOD Set 3.1: A 43 ASN : amide:sc= -1.99! C(o=-2.3!,f=-5.4!) USER MOD Set 3.2: A 58 SER OG : rot -75:sc= 0.44 USER MOD Set 3.3: A 59 SER OG : rot 87:sc= 0.96 USER MOD Set 3.4: A 73 CYS SG : rot 180:sc= -1.72! USER MOD Set 4.1: A 7 SER OG : rot 78:sc= 0.928 USER MOD Set 4.2: A 23 CYS SG : rot -77:sc= -3.49! USER MOD Set 5.1: A 14 ASN : amide:sc= 1.14 K(o=3.1,f=0.5) USER MOD Set 5.2: A 18 THR OG1 : rot -69:sc= 1.99 USER MOD Single : A 2 SER OG : rot 34:sc= -1.31! USER MOD Single : A 3 TYR OH : rot 31:sc= 0.204 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.668 K(o=0.67,f=-0.66) USER MOD Single : A 13 THR OG1 : rot -110:sc= -1.71! USER MOD Single : A 25 ASN : amide:sc= -2.16! C(o=-2.2!,f=-12!) USER MOD Single : A 29 ASN : amide:sc=-0.000415 X(o=-0.00042,f=-0.11) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 146:sc= 1.06 USER MOD Single : A 39 THR OG1 : rot -24:sc= 0.657 USER MOD Single : A 40 CYS SG : rot -154:sc= -0.261! USER MOD Single : A 45 ASN : amide:sc= -0.059 K(o=-0.059,f=-2!) USER MOD Single : A 52 MET CE :methyl 174:sc= 0 (180deg=-0.0687) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00593 F(o=-1.1,f=-0.0059) USER MOD Single : A 56 SER OG : rot -100:sc= -2.08! USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0977 (180deg=-0.494) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= 1.19 (180deg=-0.498!) USER MOD Single : A 72 THR OG1 : rot -174:sc= 1.03 USER MOD Single : A 76 LYS NZ :NH3+ 130:sc= 1.21 (180deg=0.988) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.212 F(o=-0.89,f=-0.21) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.608 F(o=-1.9!,f=-0.61) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.893 11.811 -0.839 1.00 0.00 N ATOM 17 CA SER A 2 2.446 10.530 -0.447 1.00 0.00 C ATOM 18 C SER A 2 3.967 10.549 -0.502 1.00 0.00 C ATOM 19 O SER A 2 4.567 11.484 -1.038 1.00 0.00 O ATOM 20 CB SER A 2 1.905 9.417 -1.342 1.00 0.00 C ATOM 21 OG SER A 2 0.494 9.481 -1.438 1.00 0.00 O ATOM 0 HA SER A 2 2.142 10.337 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.344 9.500 -2.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.202 8.448 -0.942 1.00 0.00 H new ATOM 0 HG SER A 2 0.207 10.418 -1.412 1.00 0.00 H new ATOM 26 N TYR A 3 4.581 9.518 0.048 1.00 0.00 N ATOM 27 CA TYR A 3 6.033 9.393 0.069 1.00 0.00 C ATOM 28 C TYR A 3 6.634 9.426 -1.338 1.00 0.00 C ATOM 29 O TYR A 3 7.682 10.032 -1.553 1.00 0.00 O ATOM 30 CB TYR A 3 6.426 8.084 0.762 1.00 0.00 C ATOM 31 CG TYR A 3 5.949 6.841 0.038 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.611 6.473 0.062 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.834 6.047 -0.682 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.167 5.356 -0.607 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.395 4.924 -1.358 1.00 0.00 C ATOM 36 CZ TYR A 3 5.060 4.584 -1.318 1.00 0.00 C ATOM 37 OH TYR A 3 4.614 3.467 -1.984 1.00 0.00 O ATOM 0 H TYR A 3 4.091 8.742 0.493 1.00 0.00 H new ATOM 0 HA TYR A 3 6.429 10.246 0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.511 8.045 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.019 8.083 1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.906 7.075 0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.881 6.312 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.122 5.085 -0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.094 4.317 -1.914 1.00 0.00 H new ATOM 0 HH TYR A 3 3.690 3.608 -2.278 1.00 0.00 H new ATOM 46 N ALA A 4 5.939 8.798 -2.290 1.00 0.00 N ATOM 47 CA ALA A 4 6.400 8.694 -3.679 1.00 0.00 C ATOM 48 C ALA A 4 6.741 10.045 -4.311 1.00 0.00 C ATOM 49 O ALA A 4 7.441 10.097 -5.321 1.00 0.00 O ATOM 50 CB ALA A 4 5.366 7.971 -4.522 1.00 0.00 C ATOM 0 H ALA A 4 5.040 8.347 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 4 7.327 8.121 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.720 7.900 -5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.207 6.969 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.427 8.524 -4.499 1.00 0.00 H new ATOM 56 N ASP A 5 6.245 11.131 -3.731 1.00 0.00 N ATOM 57 CA ASP A 5 6.533 12.462 -4.251 1.00 0.00 C ATOM 58 C ASP A 5 8.030 12.750 -4.134 1.00 0.00 C ATOM 59 O ASP A 5 8.609 13.469 -4.946 1.00 0.00 O ATOM 60 CB ASP A 5 5.727 13.518 -3.491 1.00 0.00 C ATOM 61 CG ASP A 5 5.912 14.915 -4.051 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.292 15.229 -5.090 1.00 0.00 O ATOM 63 OD2 ASP A 5 6.660 15.711 -3.447 1.00 0.00 O ATOM 0 H ASP A 5 5.645 11.117 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 5 6.245 12.501 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.670 13.255 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.024 13.510 -2.442 1.00 0.00 H new ATOM 67 N SER A 6 8.647 12.159 -3.117 1.00 0.00 N ATOM 68 CA SER A 6 10.071 12.317 -2.875 1.00 0.00 C ATOM 69 C SER A 6 10.714 10.950 -2.637 1.00 0.00 C ATOM 70 O SER A 6 11.704 10.832 -1.917 1.00 0.00 O ATOM 71 CB SER A 6 10.302 13.224 -1.665 1.00 0.00 C ATOM 72 OG SER A 6 9.613 14.455 -1.809 1.00 0.00 O ATOM 0 H SER A 6 8.174 11.560 -2.441 1.00 0.00 H new ATOM 0 HA SER A 6 10.530 12.777 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.965 12.719 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.369 13.413 -1.547 1.00 0.00 H new ATOM 0 HG SER A 6 9.776 15.015 -1.022 1.00 0.00 H new ATOM 77 N SER A 7 10.132 9.919 -3.239 1.00 0.00 N ATOM 78 CA SER A 7 10.638 8.559 -3.095 1.00 0.00 C ATOM 79 C SER A 7 10.481 7.804 -4.411 1.00 0.00 C ATOM 80 O SER A 7 9.638 8.158 -5.235 1.00 0.00 O ATOM 81 CB SER A 7 9.887 7.823 -1.980 1.00 0.00 C ATOM 82 OG SER A 7 9.848 8.598 -0.792 1.00 0.00 O ATOM 0 H SER A 7 9.307 10.000 -3.833 1.00 0.00 H new ATOM 0 HA SER A 7 11.695 8.607 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.871 7.601 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.373 6.868 -1.779 1.00 0.00 H new ATOM 0 HG SER A 7 9.162 9.293 -0.877 1.00 0.00 H new ATOM 87 N ARG A 8 11.296 6.779 -4.611 1.00 0.00 N ATOM 88 CA ARG A 8 11.234 5.985 -5.828 1.00 0.00 C ATOM 89 C ARG A 8 11.563 4.529 -5.530 1.00 0.00 C ATOM 90 O ARG A 8 12.008 4.208 -4.426 1.00 0.00 O ATOM 91 CB ARG A 8 12.203 6.550 -6.868 1.00 0.00 C ATOM 92 CG ARG A 8 13.644 6.626 -6.386 1.00 0.00 C ATOM 93 CD ARG A 8 14.509 7.401 -7.362 1.00 0.00 C ATOM 94 NE ARG A 8 14.506 6.801 -8.690 1.00 0.00 N ATOM 95 CZ ARG A 8 14.339 7.495 -9.816 1.00 0.00 C ATOM 96 NH1 ARG A 8 14.049 8.791 -9.770 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.434 6.892 -10.991 1.00 0.00 N ATOM 0 H ARG A 8 12.008 6.478 -3.946 1.00 0.00 H new ATOM 0 HA ARG A 8 10.221 6.032 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.161 5.931 -7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.872 7.548 -7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.678 7.104 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.043 5.619 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.150 8.428 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.531 7.444 -6.986 1.00 0.00 H new ATOM 0 HE ARG A 8 14.639 5.792 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.953 9.260 -8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.922 9.316 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.636 5.893 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.306 7.426 -11.850 1.00 0.00 H new ATOM 108 N ASN A 9 11.338 3.662 -6.518 1.00 0.00 N ATOM 109 CA ASN A 9 11.608 2.227 -6.384 1.00 0.00 C ATOM 110 C ASN A 9 10.730 1.609 -5.298 1.00 0.00 C ATOM 111 O ASN A 9 11.222 0.958 -4.374 1.00 0.00 O ATOM 112 CB ASN A 9 13.097 1.986 -6.089 1.00 0.00 C ATOM 113 CG ASN A 9 13.991 2.433 -7.230 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.616 2.342 -8.398 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.165 2.948 -6.904 1.00 0.00 N ATOM 0 H ASN A 9 10.966 3.931 -7.429 1.00 0.00 H new ATOM 0 HA ASN A 9 11.364 1.741 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.376 2.521 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.260 0.925 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.794 3.286 -7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.442 3.007 -5.924 1.00 0.00 H new ATOM 121 N ALA A 10 9.425 1.826 -5.423 1.00 0.00 N ATOM 122 CA ALA A 10 8.459 1.310 -4.464 1.00 0.00 C ATOM 123 C ALA A 10 7.931 -0.053 -4.893 1.00 0.00 C ATOM 124 O ALA A 10 7.342 -0.196 -5.966 1.00 0.00 O ATOM 125 CB ALA A 10 7.309 2.293 -4.297 1.00 0.00 C ATOM 0 H ALA A 10 9.011 2.361 -6.187 1.00 0.00 H new ATOM 0 HA ALA A 10 8.965 1.188 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.593 1.896 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.695 3.247 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.815 2.441 -5.257 1.00 0.00 H new ATOM 131 N VAL A 11 8.152 -1.048 -4.051 1.00 0.00 N ATOM 132 CA VAL A 11 7.700 -2.405 -4.323 1.00 0.00 C ATOM 133 C VAL A 11 6.804 -2.899 -3.191 1.00 0.00 C ATOM 134 O VAL A 11 6.703 -2.255 -2.142 1.00 0.00 O ATOM 135 CB VAL A 11 8.889 -3.380 -4.499 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.760 -2.965 -5.678 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.717 -3.467 -3.226 1.00 0.00 C ATOM 0 H VAL A 11 8.646 -0.941 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 11 7.137 -2.380 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 11 8.482 -4.370 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.589 -3.665 -5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.164 -2.970 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.151 -1.962 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.546 -4.159 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.109 -2.480 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.091 -3.824 -2.408 1.00 0.00 H new ATOM 147 N LEU A 12 6.166 -4.044 -3.405 1.00 0.00 N ATOM 148 CA LEU A 12 5.275 -4.626 -2.408 1.00 0.00 C ATOM 149 C LEU A 12 5.943 -5.818 -1.743 1.00 0.00 C ATOM 150 O LEU A 12 6.226 -6.823 -2.397 1.00 0.00 O ATOM 151 CB LEU A 12 3.950 -5.085 -3.044 1.00 0.00 C ATOM 152 CG LEU A 12 2.997 -3.981 -3.514 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.757 -2.973 -2.401 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.523 -3.297 -4.769 1.00 0.00 C ATOM 0 H LEU A 12 6.250 -4.589 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 12 5.061 -3.857 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.184 -5.720 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.422 -5.706 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 12 2.043 -4.443 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.078 -2.197 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.316 -3.478 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.705 -2.521 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.826 -2.519 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.495 -2.851 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.625 -4.031 -5.568 1.00 0.00 H new ATOM 165 N THR A 13 6.201 -5.698 -0.451 1.00 0.00 N ATOM 166 CA THR A 13 6.838 -6.768 0.298 1.00 0.00 C ATOM 167 C THR A 13 5.878 -7.383 1.315 1.00 0.00 C ATOM 168 O THR A 13 4.763 -6.878 1.522 1.00 0.00 O ATOM 169 CB THR A 13 8.108 -6.261 1.017 1.00 0.00 C ATOM 170 OG1 THR A 13 7.824 -5.052 1.734 1.00 0.00 O ATOM 171 CG2 THR A 13 9.226 -6.011 0.017 1.00 0.00 C ATOM 0 H THR A 13 5.979 -4.870 0.101 1.00 0.00 H new ATOM 0 HA THR A 13 7.123 -7.538 -0.419 1.00 0.00 H new ATOM 0 HB THR A 13 8.430 -7.029 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.272 -4.299 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.112 -5.654 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.462 -6.939 -0.504 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.907 -5.260 -0.706 1.00 0.00 H new ATOM 179 N ASN A 14 6.310 -8.490 1.923 1.00 0.00 N ATOM 180 CA ASN A 14 5.524 -9.201 2.930 1.00 0.00 C ATOM 181 C ASN A 14 4.181 -9.656 2.371 1.00 0.00 C ATOM 182 O ASN A 14 3.135 -9.486 3.003 1.00 0.00 O ATOM 183 CB ASN A 14 5.320 -8.326 4.169 1.00 0.00 C ATOM 184 CG ASN A 14 6.579 -8.200 5.007 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.384 -9.127 5.085 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.760 -7.050 5.630 1.00 0.00 N ATOM 0 H ASN A 14 7.216 -8.918 1.730 1.00 0.00 H new ATOM 0 HA ASN A 14 6.083 -10.091 3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.993 -7.333 3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.522 -8.748 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.592 -6.905 6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.068 -6.306 5.539 1.00 0.00 H new ATOM 192 N GLY A 15 4.216 -10.233 1.176 1.00 0.00 N ATOM 193 CA GLY A 15 3.003 -10.711 0.540 1.00 0.00 C ATOM 194 C GLY A 15 2.329 -9.641 -0.293 1.00 0.00 C ATOM 195 O GLY A 15 1.690 -9.937 -1.302 1.00 0.00 O ATOM 0 H GLY A 15 5.067 -10.379 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.241 -11.565 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.310 -11.064 1.304 1.00 0.00 H new ATOM 199 N GLY A 16 2.483 -8.396 0.124 1.00 0.00 N ATOM 200 CA GLY A 16 1.877 -7.291 -0.583 1.00 0.00 C ATOM 201 C GLY A 16 1.145 -6.377 0.366 1.00 0.00 C ATOM 202 O GLY A 16 -0.044 -6.109 0.199 1.00 0.00 O ATOM 0 H GLY A 16 3.022 -8.130 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.646 -6.729 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.184 -7.671 -1.334 1.00 0.00 H new ATOM 206 N ARG A 17 1.852 -5.926 1.388 1.00 0.00 N ATOM 207 CA ARG A 17 1.269 -5.040 2.385 1.00 0.00 C ATOM 208 C ARG A 17 2.254 -3.973 2.828 1.00 0.00 C ATOM 209 O ARG A 17 1.860 -2.877 3.231 1.00 0.00 O ATOM 210 CB ARG A 17 0.814 -5.841 3.601 1.00 0.00 C ATOM 211 CG ARG A 17 1.888 -6.738 4.193 1.00 0.00 C ATOM 212 CD ARG A 17 1.342 -7.554 5.349 1.00 0.00 C ATOM 213 NE ARG A 17 2.369 -8.375 5.979 1.00 0.00 N ATOM 214 CZ ARG A 17 2.591 -8.411 7.291 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.892 -7.639 8.115 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.521 -9.221 7.776 1.00 0.00 N ATOM 0 H ARG A 17 2.832 -6.158 1.551 1.00 0.00 H new ATOM 0 HA ARG A 17 0.412 -4.548 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.470 -5.149 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.041 -6.455 3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.274 -7.406 3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.725 -6.130 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.909 -6.884 6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.537 -8.195 4.990 1.00 0.00 H new ATOM 0 HE ARG A 17 2.953 -8.957 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.178 -7.012 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.069 -7.673 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.062 -9.812 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.696 -9.253 8.780 1.00 0.00 H new ATOM 227 N THR A 18 3.530 -4.304 2.777 1.00 0.00 N ATOM 228 CA THR A 18 4.560 -3.382 3.178 1.00 0.00 C ATOM 229 C THR A 18 5.118 -2.648 1.965 1.00 0.00 C ATOM 230 O THR A 18 5.405 -3.258 0.933 1.00 0.00 O ATOM 231 CB THR A 18 5.685 -4.131 3.901 1.00 0.00 C ATOM 232 OG1 THR A 18 5.111 -5.111 4.780 1.00 0.00 O ATOM 233 CG2 THR A 18 6.556 -3.176 4.698 1.00 0.00 C ATOM 0 H THR A 18 3.873 -5.210 2.459 1.00 0.00 H new ATOM 0 HA THR A 18 4.125 -2.650 3.859 1.00 0.00 H new ATOM 0 HB THR A 18 6.313 -4.619 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.662 -4.659 5.525 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.345 -3.736 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.002 -2.443 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.947 -2.662 5.442 1.00 0.00 H new ATOM 241 N LEU A 19 5.232 -1.340 2.088 1.00 0.00 N ATOM 242 CA LEU A 19 5.758 -0.513 1.016 1.00 0.00 C ATOM 243 C LEU A 19 7.247 -0.304 1.203 1.00 0.00 C ATOM 244 O LEU A 19 7.668 0.312 2.180 1.00 0.00 O ATOM 245 CB LEU A 19 5.058 0.846 0.993 1.00 0.00 C ATOM 246 CG LEU A 19 3.578 0.813 0.641 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.005 2.218 0.684 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.373 0.192 -0.729 1.00 0.00 C ATOM 0 H LEU A 19 4.966 -0.823 2.926 1.00 0.00 H new ATOM 0 HA LEU A 19 5.576 -1.024 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.171 1.310 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.570 1.487 0.276 1.00 0.00 H new ATOM 0 HG LEU A 19 3.054 0.200 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.945 2.187 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.127 2.630 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.531 2.848 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.309 0.176 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.903 0.781 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.760 -0.827 -0.728 1.00 0.00 H new ATOM 259 N ARG A 20 8.041 -0.832 0.291 1.00 0.00 N ATOM 260 CA ARG A 20 9.476 -0.661 0.375 1.00 0.00 C ATOM 261 C ARG A 20 9.950 0.221 -0.768 1.00 0.00 C ATOM 262 O ARG A 20 9.765 -0.119 -1.936 1.00 0.00 O ATOM 263 CB ARG A 20 10.182 -2.012 0.321 1.00 0.00 C ATOM 264 CG ARG A 20 11.664 -1.921 0.624 1.00 0.00 C ATOM 265 CD ARG A 20 12.327 -3.283 0.575 1.00 0.00 C ATOM 266 NE ARG A 20 12.432 -3.805 -0.787 1.00 0.00 N ATOM 267 CZ ARG A 20 12.561 -5.101 -1.076 1.00 0.00 C ATOM 268 NH1 ARG A 20 12.553 -6.003 -0.100 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.698 -5.492 -2.339 1.00 0.00 N ATOM 0 H ARG A 20 7.719 -1.378 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 20 9.719 -0.185 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.712 -2.689 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.046 -2.447 -0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.143 -1.256 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.808 -1.481 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.323 -3.215 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.758 -3.983 1.186 1.00 0.00 H new ATOM 0 HE ARG A 20 12.405 -3.140 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.448 -5.704 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.652 -6.994 -0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.705 -4.801 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.797 -6.483 -2.558 1.00 0.00 H new ATOM 280 N ALA A 21 10.555 1.351 -0.429 1.00 0.00 N ATOM 281 CA ALA A 21 11.041 2.287 -1.432 1.00 0.00 C ATOM 282 C ALA A 21 12.190 3.121 -0.894 1.00 0.00 C ATOM 283 O ALA A 21 12.445 3.139 0.314 1.00 0.00 O ATOM 284 CB ALA A 21 9.908 3.199 -1.876 1.00 0.00 C ATOM 0 H ALA A 21 10.721 1.642 0.535 1.00 0.00 H new ATOM 0 HA ALA A 21 11.406 1.713 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.277 3.898 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.104 2.599 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.530 3.754 -1.018 1.00 0.00 H new ATOM 290 N GLU A 22 12.874 3.818 -1.792 1.00 0.00 N ATOM 291 CA GLU A 22 13.966 4.693 -1.405 1.00 0.00 C ATOM 292 C GLU A 22 13.388 6.065 -1.136 1.00 0.00 C ATOM 293 O GLU A 22 12.948 6.751 -2.059 1.00 0.00 O ATOM 294 CB GLU A 22 15.040 4.785 -2.497 1.00 0.00 C ATOM 295 CG GLU A 22 15.763 3.474 -2.754 1.00 0.00 C ATOM 296 CD GLU A 22 16.992 3.650 -3.620 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.844 3.791 -4.850 1.00 0.00 O ATOM 298 OE2 GLU A 22 18.116 3.650 -3.072 1.00 0.00 O ATOM 0 H GLU A 22 12.689 3.792 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 22 14.449 4.288 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.575 5.121 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.770 5.543 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.054 3.031 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.080 2.775 -3.236 1.00 0.00 H new ATOM 303 N CYS A 23 13.360 6.443 0.128 1.00 0.00 N ATOM 304 CA CYS A 23 12.807 7.719 0.529 1.00 0.00 C ATOM 305 C CYS A 23 13.911 8.748 0.671 1.00 0.00 C ATOM 306 O CYS A 23 14.920 8.494 1.327 1.00 0.00 O ATOM 307 CB CYS A 23 12.061 7.557 1.852 1.00 0.00 C ATOM 308 SG CYS A 23 10.939 6.141 1.887 1.00 0.00 S ATOM 0 H CYS A 23 13.717 5.878 0.899 1.00 0.00 H new ATOM 0 HA CYS A 23 12.111 8.065 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.788 7.453 2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.492 8.465 2.051 1.00 0.00 H new ATOM 0 HG CYS A 23 9.857 6.428 1.225 1.00 0.00 H new ATOM 313 N ARG A 24 13.739 9.889 0.026 1.00 0.00 N ATOM 314 CA ARG A 24 14.717 10.946 0.098 1.00 0.00 C ATOM 315 C ARG A 24 14.668 11.610 1.466 1.00 0.00 C ATOM 316 O ARG A 24 13.646 12.185 1.853 1.00 0.00 O ATOM 317 CB ARG A 24 14.434 11.961 -0.996 1.00 0.00 C ATOM 318 CG ARG A 24 15.660 12.696 -1.470 1.00 0.00 C ATOM 319 CD ARG A 24 15.349 13.475 -2.726 1.00 0.00 C ATOM 320 NE ARG A 24 14.503 14.635 -2.448 1.00 0.00 N ATOM 321 CZ ARG A 24 13.689 15.204 -3.335 1.00 0.00 C ATOM 322 NH1 ARG A 24 13.657 14.778 -4.593 1.00 0.00 N ATOM 323 NH2 ARG A 24 12.922 16.217 -2.962 1.00 0.00 N ATOM 0 H ARG A 24 12.927 10.102 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 24 15.715 10.532 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.976 11.451 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.706 12.685 -0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.011 13.373 -0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.466 11.988 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.279 13.805 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.850 12.824 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 24 14.539 15.036 -1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.259 14.009 -4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.030 15.220 -5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.957 16.556 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.296 16.658 -3.636 1.00 0.00 H new ATOM 334 N ASN A 25 15.761 11.505 2.203 1.00 0.00 N ATOM 335 CA ASN A 25 15.834 12.101 3.527 1.00 0.00 C ATOM 336 C ASN A 25 16.224 13.569 3.418 1.00 0.00 C ATOM 337 O ASN A 25 16.601 14.019 2.334 1.00 0.00 O ATOM 338 CB ASN A 25 16.806 11.336 4.446 1.00 0.00 C ATOM 339 CG ASN A 25 18.252 11.344 3.966 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.703 12.274 3.309 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.993 10.300 4.297 1.00 0.00 N ATOM 0 H ASN A 25 16.606 11.015 1.909 1.00 0.00 H new ATOM 0 HA ASN A 25 14.846 12.033 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.763 11.771 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.469 10.303 4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.969 10.254 4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.589 9.541 4.845 1.00 0.00 H new ATOM 347 N ALA A 26 16.164 14.294 4.532 1.00 0.00 N ATOM 348 CA ALA A 26 16.491 15.724 4.557 1.00 0.00 C ATOM 349 C ALA A 26 17.879 16.021 3.987 1.00 0.00 C ATOM 350 O ALA A 26 18.115 17.097 3.437 1.00 0.00 O ATOM 351 CB ALA A 26 16.388 16.254 5.977 1.00 0.00 C ATOM 0 H ALA A 26 15.890 13.914 5.438 1.00 0.00 H new ATOM 0 HA ALA A 26 15.768 16.230 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.632 17.316 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.372 16.112 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.086 15.715 6.618 1.00 0.00 H new ATOM 357 N ASP A 27 18.787 15.061 4.108 1.00 0.00 N ATOM 358 CA ASP A 27 20.152 15.223 3.610 1.00 0.00 C ATOM 359 C ASP A 27 20.182 15.091 2.087 1.00 0.00 C ATOM 360 O ASP A 27 21.177 15.406 1.436 1.00 0.00 O ATOM 361 CB ASP A 27 21.066 14.174 4.259 1.00 0.00 C ATOM 362 CG ASP A 27 22.528 14.335 3.893 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.217 15.151 4.535 1.00 0.00 O ATOM 364 OD2 ASP A 27 23.003 13.631 2.981 1.00 0.00 O ATOM 0 H ASP A 27 18.605 14.159 4.548 1.00 0.00 H new ATOM 0 HA ASP A 27 20.512 16.218 3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.962 14.234 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.733 13.180 3.962 1.00 0.00 H new ATOM 368 N GLY A 28 19.066 14.649 1.527 1.00 0.00 N ATOM 369 CA GLY A 28 18.965 14.463 0.096 1.00 0.00 C ATOM 370 C GLY A 28 19.473 13.102 -0.307 1.00 0.00 C ATOM 371 O GLY A 28 19.945 12.903 -1.426 1.00 0.00 O ATOM 0 H GLY A 28 18.220 14.414 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.927 14.575 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.538 15.236 -0.417 1.00 0.00 H new ATOM 375 N ASN A 29 19.364 12.152 0.609 1.00 0.00 N ATOM 376 CA ASN A 29 19.848 10.796 0.359 1.00 0.00 C ATOM 377 C ASN A 29 18.688 9.821 0.227 1.00 0.00 C ATOM 378 O ASN A 29 17.581 10.100 0.685 1.00 0.00 O ATOM 379 CB ASN A 29 20.763 10.343 1.500 1.00 0.00 C ATOM 380 CG ASN A 29 21.778 9.312 1.056 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.520 8.110 1.080 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.941 9.780 0.663 1.00 0.00 N ATOM 0 H ASN A 29 18.947 12.290 1.530 1.00 0.00 H new ATOM 0 HA ASN A 29 20.408 10.806 -0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.284 11.209 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.156 9.927 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.674 9.138 0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.111 10.786 0.659 1.00 0.00 H new ATOM 388 N TRP A 30 18.951 8.672 -0.387 1.00 0.00 N ATOM 389 CA TRP A 30 17.928 7.651 -0.576 1.00 0.00 C ATOM 390 C TRP A 30 18.056 6.550 0.464 1.00 0.00 C ATOM 391 O TRP A 30 19.031 5.797 0.467 1.00 0.00 O ATOM 392 CB TRP A 30 18.028 7.017 -1.962 1.00 0.00 C ATOM 393 CG TRP A 30 17.761 7.960 -3.090 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.647 8.370 -4.040 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.521 8.605 -3.387 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.029 9.225 -4.917 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.725 9.388 -4.533 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.260 8.599 -2.795 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.713 10.154 -5.096 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.256 9.360 -3.359 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.487 10.128 -4.498 1.00 0.00 C ATOM 0 H TRP A 30 19.866 8.425 -0.763 1.00 0.00 H new ATOM 0 HA TRP A 30 16.964 8.148 -0.470 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.026 6.595 -2.085 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.322 6.189 -2.022 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.682 8.067 -4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.469 9.667 -5.724 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.071 8.009 -1.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.891 10.751 -5.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.274 9.360 -2.909 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.681 10.713 -4.915 1.00 0.00 H new ATOM 411 N VAL A 31 17.073 6.461 1.339 1.00 0.00 N ATOM 412 CA VAL A 31 17.065 5.435 2.369 1.00 0.00 C ATOM 413 C VAL A 31 15.886 4.488 2.166 1.00 0.00 C ATOM 414 O VAL A 31 14.757 4.926 1.943 1.00 0.00 O ATOM 415 CB VAL A 31 17.022 6.033 3.793 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.387 6.578 4.185 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.968 7.122 3.902 1.00 0.00 C ATOM 0 H VAL A 31 16.268 7.087 1.359 1.00 0.00 H new ATOM 0 HA VAL A 31 17.999 4.881 2.275 1.00 0.00 H new ATOM 0 HB VAL A 31 16.753 5.233 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.337 6.995 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.121 5.772 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.683 7.358 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.962 7.523 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.196 7.921 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.988 6.704 3.672 1.00 0.00 H new ATOM 427 N THR A 32 16.158 3.193 2.215 1.00 0.00 N ATOM 428 CA THR A 32 15.122 2.192 2.022 1.00 0.00 C ATOM 429 C THR A 32 14.274 2.043 3.280 1.00 0.00 C ATOM 430 O THR A 32 14.729 1.507 4.290 1.00 0.00 O ATOM 431 CB THR A 32 15.734 0.826 1.656 1.00 0.00 C ATOM 432 OG1 THR A 32 16.672 0.978 0.582 1.00 0.00 O ATOM 433 CG2 THR A 32 14.651 -0.156 1.241 1.00 0.00 C ATOM 0 H THR A 32 17.088 2.811 2.387 1.00 0.00 H new ATOM 0 HA THR A 32 14.490 2.529 1.200 1.00 0.00 H new ATOM 0 HB THR A 32 16.246 0.437 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.057 0.105 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.106 -1.113 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.950 -0.294 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.119 0.234 0.373 1.00 0.00 H new ATOM 441 N SER A 33 13.040 2.511 3.205 1.00 0.00 N ATOM 442 CA SER A 33 12.127 2.434 4.330 1.00 0.00 C ATOM 443 C SER A 33 10.909 1.589 3.979 1.00 0.00 C ATOM 444 O SER A 33 10.523 1.500 2.813 1.00 0.00 O ATOM 445 CB SER A 33 11.696 3.841 4.750 1.00 0.00 C ATOM 446 OG SER A 33 12.809 4.609 5.185 1.00 0.00 O ATOM 0 H SER A 33 12.647 2.950 2.372 1.00 0.00 H new ATOM 0 HA SER A 33 12.642 1.958 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.211 4.341 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.960 3.775 5.552 1.00 0.00 H new ATOM 0 HG SER A 33 12.673 5.549 4.941 1.00 0.00 H new ATOM 451 N GLU A 34 10.319 0.962 4.991 1.00 0.00 N ATOM 452 CA GLU A 34 9.144 0.126 4.793 1.00 0.00 C ATOM 453 C GLU A 34 8.034 0.516 5.758 1.00 0.00 C ATOM 454 O GLU A 34 8.298 0.897 6.901 1.00 0.00 O ATOM 455 CB GLU A 34 9.481 -1.352 4.991 1.00 0.00 C ATOM 456 CG GLU A 34 10.420 -1.929 3.948 1.00 0.00 C ATOM 457 CD GLU A 34 10.501 -3.441 4.017 1.00 0.00 C ATOM 458 OE1 GLU A 34 10.938 -3.968 5.060 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.127 -4.111 3.030 1.00 0.00 O ATOM 0 H GLU A 34 10.637 1.018 5.958 1.00 0.00 H new ATOM 0 HA GLU A 34 8.805 0.281 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.930 -1.480 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.555 -1.927 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.083 -1.631 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.416 -1.508 4.087 1.00 0.00 H new ATOM 464 N LEU A 35 6.799 0.427 5.289 1.00 0.00 N ATOM 465 CA LEU A 35 5.632 0.735 6.105 1.00 0.00 C ATOM 466 C LEU A 35 4.547 -0.301 5.820 1.00 0.00 C ATOM 467 O LEU A 35 4.217 -0.559 4.663 1.00 0.00 O ATOM 468 CB LEU A 35 5.119 2.158 5.808 1.00 0.00 C ATOM 469 CG LEU A 35 4.271 2.824 6.911 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.898 2.182 7.024 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.991 2.753 8.249 1.00 0.00 C ATOM 0 H LEU A 35 6.577 0.140 4.336 1.00 0.00 H new ATOM 0 HA LEU A 35 5.904 0.698 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.979 2.796 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.526 2.124 4.894 1.00 0.00 H new ATOM 0 HG LEU A 35 4.132 3.869 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.329 2.677 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.370 2.283 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.009 1.125 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.380 3.227 9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.163 1.710 8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.947 3.271 8.176 1.00 0.00 H new ATOM 482 N ASP A 36 4.011 -0.897 6.872 1.00 0.00 N ATOM 483 CA ASP A 36 2.977 -1.919 6.732 1.00 0.00 C ATOM 484 C ASP A 36 1.596 -1.284 6.748 1.00 0.00 C ATOM 485 O ASP A 36 1.137 -0.801 7.782 1.00 0.00 O ATOM 486 CB ASP A 36 3.072 -2.938 7.869 1.00 0.00 C ATOM 487 CG ASP A 36 4.421 -3.620 7.944 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.609 -4.655 7.278 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.299 -3.127 8.682 1.00 0.00 O ATOM 0 H ASP A 36 4.273 -0.693 7.836 1.00 0.00 H new ATOM 0 HA ASP A 36 3.132 -2.425 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.872 -2.437 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.297 -3.693 7.738 1.00 0.00 H new ATOM 493 N LEU A 37 0.933 -1.289 5.604 1.00 0.00 N ATOM 494 CA LEU A 37 -0.397 -0.701 5.500 1.00 0.00 C ATOM 495 C LEU A 37 -1.498 -1.695 5.865 1.00 0.00 C ATOM 496 O LEU A 37 -2.633 -1.296 6.099 1.00 0.00 O ATOM 497 CB LEU A 37 -0.652 -0.192 4.079 1.00 0.00 C ATOM 498 CG LEU A 37 0.588 0.172 3.268 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.196 0.525 1.847 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.336 1.324 3.913 1.00 0.00 C ATOM 0 H LEU A 37 1.289 -1.691 4.737 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.426 0.127 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.207 -0.956 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.294 0.687 4.139 1.00 0.00 H new ATOM 0 HG LEU A 37 1.252 -0.692 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.088 0.783 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.297 -0.329 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.486 1.375 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.216 1.566 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.684 2.196 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.646 1.039 4.918 1.00 0.00 H new ATOM 511 N ASP A 38 -1.172 -2.985 5.934 1.00 0.00 N ATOM 512 CA ASP A 38 -2.187 -4.007 6.230 1.00 0.00 C ATOM 513 C ASP A 38 -2.772 -3.853 7.627 1.00 0.00 C ATOM 514 O ASP A 38 -3.828 -4.400 7.915 1.00 0.00 O ATOM 515 CB ASP A 38 -1.633 -5.425 6.069 1.00 0.00 C ATOM 516 CG ASP A 38 -0.906 -5.921 7.303 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.239 -5.490 7.543 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.475 -6.753 8.032 1.00 0.00 O ATOM 0 H ASP A 38 -0.229 -3.348 5.792 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.983 -3.852 5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.453 -6.105 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.951 -5.448 5.219 1.00 0.00 H new ATOM 522 N THR A 39 -2.100 -3.112 8.488 1.00 0.00 N ATOM 523 CA THR A 39 -2.595 -2.909 9.838 1.00 0.00 C ATOM 524 C THR A 39 -3.593 -1.748 9.874 1.00 0.00 C ATOM 525 O THR A 39 -4.174 -1.445 10.918 1.00 0.00 O ATOM 526 CB THR A 39 -1.440 -2.651 10.835 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.954 -2.504 12.166 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.654 -1.405 10.451 1.00 0.00 C ATOM 0 H THR A 39 -1.218 -2.644 8.280 1.00 0.00 H new ATOM 0 HA THR A 39 -3.103 -3.824 10.143 1.00 0.00 H new ATOM 0 HB THR A 39 -0.770 -3.510 10.799 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.888 -2.210 12.125 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.151 -1.247 11.168 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.232 -1.534 9.454 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.318 -0.540 10.455 1.00 0.00 H new ATOM 536 N CYS A 40 -3.793 -1.106 8.725 1.00 0.00 N ATOM 537 CA CYS A 40 -4.715 0.018 8.633 1.00 0.00 C ATOM 538 C CYS A 40 -5.655 -0.118 7.433 1.00 0.00 C ATOM 539 O CYS A 40 -6.659 0.592 7.339 1.00 0.00 O ATOM 540 CB CYS A 40 -3.927 1.319 8.536 1.00 0.00 C ATOM 541 SG CYS A 40 -2.677 1.510 9.828 1.00 0.00 S ATOM 0 H CYS A 40 -3.329 -1.346 7.849 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.330 0.026 9.533 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.440 1.367 7.562 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.621 2.158 8.587 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.453 2.774 10.031 1.00 0.00 H new ATOM 546 N ILE A 41 -5.328 -1.026 6.518 1.00 0.00 N ATOM 547 CA ILE A 41 -6.148 -1.253 5.336 1.00 0.00 C ATOM 548 C ILE A 41 -6.714 -2.667 5.346 1.00 0.00 C ATOM 549 O ILE A 41 -5.997 -3.632 5.628 1.00 0.00 O ATOM 550 CB ILE A 41 -5.351 -1.054 4.026 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.724 0.336 3.974 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.257 -1.265 2.821 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.911 0.584 2.721 1.00 0.00 C ATOM 0 H ILE A 41 -4.499 -1.617 6.574 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.953 -0.519 5.369 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.549 -1.792 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.513 1.085 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.084 0.470 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.684 -1.122 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.661 -2.277 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.077 -0.547 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.495 1.591 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.100 -0.142 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.552 0.482 1.845 1.00 0.00 H new ATOM 564 N GLY A 42 -7.996 -2.783 5.039 1.00 0.00 N ATOM 565 CA GLY A 42 -8.651 -4.072 4.997 1.00 0.00 C ATOM 566 C GLY A 42 -9.824 -4.053 4.046 1.00 0.00 C ATOM 567 O GLY A 42 -10.279 -2.976 3.648 1.00 0.00 O ATOM 0 H GLY A 42 -8.602 -1.994 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.938 -4.836 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.993 -4.343 5.996 1.00 0.00 H new ATOM 571 N ASN A 43 -10.315 -5.230 3.674 1.00 0.00 N ATOM 572 CA ASN A 43 -11.442 -5.318 2.751 1.00 0.00 C ATOM 573 C ASN A 43 -12.211 -6.644 2.866 1.00 0.00 C ATOM 574 O ASN A 43 -12.473 -7.296 1.855 1.00 0.00 O ATOM 575 CB ASN A 43 -10.947 -5.140 1.313 1.00 0.00 C ATOM 576 CG ASN A 43 -9.797 -6.063 0.962 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.633 -5.705 1.104 1.00 0.00 O ATOM 578 ND2 ASN A 43 -10.118 -7.262 0.512 1.00 0.00 N ATOM 0 H ASN A 43 -9.955 -6.129 3.994 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.134 -4.520 3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.773 -5.321 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.633 -4.106 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.385 -7.928 0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.099 -7.522 0.408 1.00 0.00 H new ATOM 584 N PRO A 44 -12.646 -7.044 4.076 1.00 0.00 N ATOM 585 CA PRO A 44 -13.379 -8.304 4.255 1.00 0.00 C ATOM 586 C PRO A 44 -14.774 -8.245 3.634 1.00 0.00 C ATOM 587 O PRO A 44 -15.386 -9.275 3.345 1.00 0.00 O ATOM 588 CB PRO A 44 -13.467 -8.456 5.774 1.00 0.00 C ATOM 589 CG PRO A 44 -13.368 -7.070 6.304 1.00 0.00 C ATOM 590 CD PRO A 44 -12.490 -6.313 5.346 1.00 0.00 C ATOM 0 HA PRO A 44 -12.883 -9.142 3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.405 -8.926 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.661 -9.083 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.353 -6.610 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.942 -7.067 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.804 -5.274 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.452 -6.303 5.677 1.00 0.00 H new ATOM 595 N ASN A 45 -15.262 -7.030 3.416 1.00 0.00 N ATOM 596 CA ASN A 45 -16.579 -6.820 2.821 1.00 0.00 C ATOM 597 C ASN A 45 -16.472 -6.746 1.303 1.00 0.00 C ATOM 598 O ASN A 45 -17.476 -6.625 0.604 1.00 0.00 O ATOM 599 CB ASN A 45 -17.223 -5.534 3.352 1.00 0.00 C ATOM 600 CG ASN A 45 -17.597 -5.615 4.822 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.973 -6.337 5.602 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.614 -4.863 5.211 1.00 0.00 N ATOM 0 H ASN A 45 -14.763 -6.170 3.643 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.208 -7.667 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.534 -4.702 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.117 -5.315 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.907 -4.867 6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.105 -4.279 4.534 1.00 0.00 H new ATOM 608 N GLY A 46 -15.248 -6.820 0.796 1.00 0.00 N ATOM 609 CA GLY A 46 -15.041 -6.755 -0.635 1.00 0.00 C ATOM 610 C GLY A 46 -14.713 -5.357 -1.115 1.00 0.00 C ATOM 611 O GLY A 46 -14.618 -5.117 -2.314 1.00 0.00 O ATOM 0 H GLY A 46 -14.398 -6.924 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.230 -7.429 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.938 -7.109 -1.144 1.00 0.00 H new ATOM 615 N PHE A 47 -14.562 -4.425 -0.180 1.00 0.00 N ATOM 616 CA PHE A 47 -14.244 -3.044 -0.523 1.00 0.00 C ATOM 617 C PHE A 47 -13.006 -2.576 0.228 1.00 0.00 C ATOM 618 O PHE A 47 -12.865 -2.835 1.424 1.00 0.00 O ATOM 619 CB PHE A 47 -15.426 -2.123 -0.212 1.00 0.00 C ATOM 620 CG PHE A 47 -16.688 -2.505 -0.928 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.745 -2.501 -2.314 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.817 -2.869 -0.215 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.909 -2.853 -2.972 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.983 -3.222 -0.866 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.029 -3.214 -2.247 1.00 0.00 C ATOM 0 H PHE A 47 -14.655 -4.601 0.820 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.041 -3.001 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.610 -2.132 0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.160 -1.101 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.872 -2.220 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.786 -2.877 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.943 -2.846 -4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.857 -3.504 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.939 -3.489 -2.759 1.00 0.00 H new ATOM 634 N LEU A 48 -12.132 -1.868 -0.474 1.00 0.00 N ATOM 635 CA LEU A 48 -10.892 -1.365 0.109 1.00 0.00 C ATOM 636 C LEU A 48 -11.121 -0.067 0.864 1.00 0.00 C ATOM 637 O LEU A 48 -12.001 0.724 0.513 1.00 0.00 O ATOM 638 CB LEU A 48 -9.863 -1.104 -0.994 1.00 0.00 C ATOM 639 CG LEU A 48 -8.786 -2.177 -1.181 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.405 -3.519 -1.498 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.821 -1.771 -2.283 1.00 0.00 C ATOM 0 H LEU A 48 -12.259 -1.626 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.527 -2.122 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.395 -0.984 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.369 -0.155 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.236 -2.269 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.618 -4.262 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.059 -3.820 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.985 -3.444 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.061 -2.543 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.367 -1.649 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.341 -0.829 -2.018 1.00 0.00 H new ATOM 652 N GLY A 49 -10.323 0.151 1.897 1.00 0.00 N ATOM 653 CA GLY A 49 -10.437 1.364 2.672 1.00 0.00 C ATOM 654 C GLY A 49 -9.587 1.331 3.922 1.00 0.00 C ATOM 655 O GLY A 49 -9.017 0.292 4.267 1.00 0.00 O ATOM 0 H GLY A 49 -9.597 -0.493 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.141 2.214 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.480 1.518 2.949 1.00 0.00 H new ATOM 659 N TRP A 50 -9.505 2.464 4.603 1.00 0.00 N ATOM 660 CA TRP A 50 -8.719 2.567 5.823 1.00 0.00 C ATOM 661 C TRP A 50 -9.618 2.360 7.034 1.00 0.00 C ATOM 662 O TRP A 50 -10.710 2.921 7.109 1.00 0.00 O ATOM 663 CB TRP A 50 -8.031 3.934 5.914 1.00 0.00 C ATOM 664 CG TRP A 50 -7.005 4.183 4.844 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.212 4.741 3.615 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.605 3.887 4.917 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.022 4.809 2.921 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.026 4.287 3.698 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.785 3.319 5.892 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.667 4.134 3.432 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.437 3.169 5.627 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.891 3.575 4.405 1.00 0.00 C ATOM 0 H TRP A 50 -9.975 3.327 4.330 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.950 1.795 5.805 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.790 4.714 5.861 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.551 4.022 6.889 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.167 5.079 3.241 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.904 5.187 1.981 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.197 3.002 6.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.243 4.447 2.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.794 2.731 6.376 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.834 3.443 4.228 1.00 0.00 H new ATOM 682 N GLY A 51 -9.164 1.541 7.968 1.00 0.00 N ATOM 683 CA GLY A 51 -9.939 1.273 9.163 1.00 0.00 C ATOM 684 C GLY A 51 -9.889 -0.187 9.543 1.00 0.00 C ATOM 685 O GLY A 51 -9.796 -0.534 10.722 1.00 0.00 O ATOM 0 H GLY A 51 -8.269 1.054 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.559 1.877 9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.975 1.572 9.000 1.00 0.00 H new ATOM 689 N MET A 52 -9.947 -1.042 8.536 1.00 0.00 N ATOM 690 CA MET A 52 -9.904 -2.481 8.743 1.00 0.00 C ATOM 691 C MET A 52 -8.458 -2.952 8.606 1.00 0.00 C ATOM 692 O MET A 52 -7.557 -2.124 8.509 1.00 0.00 O ATOM 693 CB MET A 52 -10.816 -3.167 7.727 1.00 0.00 C ATOM 694 CG MET A 52 -11.485 -4.424 8.257 1.00 0.00 C ATOM 695 SD MET A 52 -12.529 -4.090 9.689 1.00 0.00 S ATOM 696 CE MET A 52 -13.197 -5.719 10.017 1.00 0.00 C ATOM 0 H MET A 52 -10.025 -0.762 7.558 1.00 0.00 H new ATOM 0 HA MET A 52 -10.260 -2.739 9.740 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.585 -2.463 7.409 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.232 -3.422 6.842 1.00 0.00 H new ATOM 0 HG2 MET A 52 -12.088 -4.873 7.467 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.721 -5.153 8.529 1.00 0.00 H new ATOM 0 HE1 MET A 52 -13.778 -5.695 10.939 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.840 -6.022 9.191 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.380 -6.433 10.121 1.00 0.00 H new ATOM 704 N GLN A 53 -8.215 -4.256 8.599 1.00 0.00 N ATOM 705 CA GLN A 53 -6.849 -4.745 8.486 1.00 0.00 C ATOM 706 C GLN A 53 -6.774 -6.050 7.703 1.00 0.00 C ATOM 707 O GLN A 53 -7.799 -6.666 7.399 1.00 0.00 O ATOM 708 CB GLN A 53 -6.258 -4.937 9.882 1.00 0.00 C ATOM 709 CG GLN A 53 -7.029 -5.937 10.724 1.00 0.00 C ATOM 710 CD GLN A 53 -6.508 -6.053 12.138 1.00 0.00 C ATOM 711 OE1 GLN A 53 -6.007 -4.957 12.683 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -6.573 -7.121 12.746 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.930 -4.980 8.669 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.271 -4.002 7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.224 -5.270 9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.239 -3.976 10.397 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.079 -5.644 10.753 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.984 -6.916 10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.967 -7.944 12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.233 -7.183 13.706 1.00 0.00 H new ATOM 719 N ASN A 54 -5.543 -6.445 7.381 1.00 0.00 N ATOM 720 CA ASN A 54 -5.260 -7.677 6.644 1.00 0.00 C ATOM 721 C ASN A 54 -5.867 -7.670 5.248 1.00 0.00 C ATOM 722 O ASN A 54 -6.412 -8.682 4.797 1.00 0.00 O ATOM 723 CB ASN A 54 -5.753 -8.908 7.408 1.00 0.00 C ATOM 724 CG ASN A 54 -4.824 -9.304 8.536 1.00 0.00 C ATOM 725 OD1 ASN A 54 -5.146 -8.881 9.748 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.833 -10.004 8.318 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.707 -5.915 7.626 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.176 -7.727 6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.745 -8.707 7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.855 -9.744 6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.622 -10.308 7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.224 -10.279 9.088 1.00 0.00 H new ATOM 732 N PHE A 55 -5.757 -6.543 4.554 1.00 0.00 N ATOM 733 CA PHE A 55 -6.292 -6.435 3.200 1.00 0.00 C ATOM 734 C PHE A 55 -5.571 -7.406 2.266 1.00 0.00 C ATOM 735 O PHE A 55 -6.163 -7.952 1.342 1.00 0.00 O ATOM 736 CB PHE A 55 -6.172 -4.998 2.667 1.00 0.00 C ATOM 737 CG PHE A 55 -4.792 -4.605 2.215 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.836 -4.196 3.128 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.459 -4.640 0.872 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.569 -3.833 2.710 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.196 -4.279 0.448 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.251 -3.875 1.368 1.00 0.00 C ATOM 0 H PHE A 55 -5.306 -5.697 4.902 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.350 -6.695 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.861 -4.877 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.493 -4.308 3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.082 -4.160 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.196 -4.953 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.830 -3.517 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.948 -4.313 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.262 -3.592 1.038 1.00 0.00 H new ATOM 751 N SER A 56 -4.293 -7.637 2.541 1.00 0.00 N ATOM 752 CA SER A 56 -3.475 -8.529 1.731 1.00 0.00 C ATOM 753 C SER A 56 -3.985 -9.963 1.793 1.00 0.00 C ATOM 754 O SER A 56 -3.954 -10.685 0.799 1.00 0.00 O ATOM 755 CB SER A 56 -2.029 -8.465 2.209 1.00 0.00 C ATOM 756 OG SER A 56 -1.615 -7.120 2.352 1.00 0.00 O ATOM 0 H SER A 56 -3.798 -7.214 3.326 1.00 0.00 H new ATOM 0 HA SER A 56 -3.534 -8.202 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.931 -8.985 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.381 -8.978 1.498 1.00 0.00 H new ATOM 0 HG SER A 56 -1.082 -6.857 1.573 1.00 0.00 H new ATOM 761 N HIS A 57 -4.487 -10.364 2.953 1.00 0.00 N ATOM 762 CA HIS A 57 -4.993 -11.719 3.127 1.00 0.00 C ATOM 763 C HIS A 57 -6.389 -11.865 2.536 1.00 0.00 C ATOM 764 O HIS A 57 -6.943 -12.962 2.491 1.00 0.00 O ATOM 765 CB HIS A 57 -5.005 -12.114 4.602 1.00 0.00 C ATOM 766 CG HIS A 57 -3.640 -12.410 5.147 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.095 -11.743 6.219 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.704 -13.308 4.753 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.886 -12.213 6.463 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.625 -13.166 5.589 1.00 0.00 N ATOM 0 H HIS A 57 -4.555 -9.775 3.783 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.320 -12.390 2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.454 -11.309 5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.638 -12.992 4.731 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.791 -14.006 3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.223 -11.875 7.245 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.762 -13.708 5.542 1.00 0.00 H new ATOM 778 N SER A 58 -6.948 -10.761 2.071 1.00 0.00 N ATOM 779 CA SER A 58 -8.277 -10.777 1.493 1.00 0.00 C ATOM 780 C SER A 58 -8.296 -10.123 0.109 1.00 0.00 C ATOM 781 O SER A 58 -9.350 -9.728 -0.379 1.00 0.00 O ATOM 782 CB SER A 58 -9.255 -10.077 2.441 1.00 0.00 C ATOM 783 OG SER A 58 -8.703 -8.873 2.950 1.00 0.00 O ATOM 0 H SER A 58 -6.501 -9.844 2.083 1.00 0.00 H new ATOM 0 HA SER A 58 -8.585 -11.814 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.184 -9.860 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.505 -10.743 3.267 1.00 0.00 H new ATOM 0 HG SER A 58 -8.026 -9.084 3.627 1.00 0.00 H new ATOM 788 N SER A 59 -7.135 -10.030 -0.536 1.00 0.00 N ATOM 789 CA SER A 59 -7.060 -9.410 -1.858 1.00 0.00 C ATOM 790 C SER A 59 -6.199 -10.212 -2.822 1.00 0.00 C ATOM 791 O SER A 59 -5.281 -10.928 -2.416 1.00 0.00 O ATOM 792 CB SER A 59 -6.510 -7.987 -1.758 1.00 0.00 C ATOM 793 OG SER A 59 -7.374 -7.159 -1.006 1.00 0.00 O ATOM 0 H SER A 59 -6.245 -10.370 -0.172 1.00 0.00 H new ATOM 0 HA SER A 59 -8.077 -9.386 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.524 -8.007 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.383 -7.572 -2.758 1.00 0.00 H new ATOM 0 HG SER A 59 -7.150 -7.231 -0.055 1.00 0.00 H new ATOM 798 N GLU A 60 -6.513 -10.082 -4.103 1.00 0.00 N ATOM 799 CA GLU A 60 -5.781 -10.763 -5.158 1.00 0.00 C ATOM 800 C GLU A 60 -5.058 -9.748 -6.030 1.00 0.00 C ATOM 801 O GLU A 60 -5.535 -8.626 -6.197 1.00 0.00 O ATOM 802 CB GLU A 60 -6.730 -11.584 -6.032 1.00 0.00 C ATOM 803 CG GLU A 60 -7.599 -12.550 -5.255 1.00 0.00 C ATOM 804 CD GLU A 60 -6.799 -13.575 -4.486 1.00 0.00 C ATOM 805 OE1 GLU A 60 -6.174 -14.443 -5.122 1.00 0.00 O ATOM 806 OE2 GLU A 60 -6.803 -13.531 -3.240 1.00 0.00 O ATOM 0 H GLU A 60 -7.282 -9.502 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.057 -11.431 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.371 -10.904 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.144 -12.144 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.225 -11.989 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.269 -13.063 -5.945 1.00 0.00 H new ATOM 811 N ASP A 61 -3.921 -10.165 -6.579 1.00 0.00 N ATOM 812 CA ASP A 61 -3.094 -9.326 -7.457 1.00 0.00 C ATOM 813 C ASP A 61 -2.880 -7.932 -6.863 1.00 0.00 C ATOM 814 O ASP A 61 -3.451 -6.945 -7.328 1.00 0.00 O ATOM 815 CB ASP A 61 -3.726 -9.227 -8.850 1.00 0.00 C ATOM 816 CG ASP A 61 -2.773 -8.674 -9.888 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.869 -9.417 -10.323 1.00 0.00 O ATOM 818 OD2 ASP A 61 -2.935 -7.506 -10.296 1.00 0.00 O ATOM 0 H ASP A 61 -3.540 -11.099 -6.430 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.116 -9.799 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.063 -10.216 -9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.610 -8.591 -8.799 1.00 0.00 H new ATOM 822 N ILE A 62 -2.060 -7.867 -5.825 1.00 0.00 N ATOM 823 CA ILE A 62 -1.769 -6.606 -5.152 1.00 0.00 C ATOM 824 C ILE A 62 -0.555 -5.920 -5.768 1.00 0.00 C ATOM 825 O ILE A 62 0.554 -6.462 -5.750 1.00 0.00 O ATOM 826 CB ILE A 62 -1.516 -6.825 -3.645 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.750 -7.449 -2.991 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.154 -5.513 -2.964 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.568 -7.765 -1.524 1.00 0.00 C ATOM 0 H ILE A 62 -1.581 -8.675 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.643 -5.967 -5.279 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.675 -7.509 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.594 -6.768 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.007 -8.366 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.980 -5.690 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.250 -5.105 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.972 -4.803 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.484 -8.204 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.746 -8.471 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.342 -6.848 -0.980 1.00 0.00 H new ATOM 840 N LYS A 63 -0.769 -4.735 -6.321 1.00 0.00 N ATOM 841 CA LYS A 63 0.312 -3.978 -6.930 1.00 0.00 C ATOM 842 C LYS A 63 0.047 -2.483 -6.791 1.00 0.00 C ATOM 843 O LYS A 63 -1.063 -2.071 -6.471 1.00 0.00 O ATOM 844 CB LYS A 63 0.459 -4.360 -8.402 1.00 0.00 C ATOM 845 CG LYS A 63 1.906 -4.485 -8.843 1.00 0.00 C ATOM 846 CD LYS A 63 2.256 -3.496 -9.936 1.00 0.00 C ATOM 847 CE LYS A 63 3.659 -3.743 -10.468 1.00 0.00 C ATOM 848 NZ LYS A 63 3.794 -5.103 -11.061 1.00 0.00 N ATOM 0 H LYS A 63 -1.680 -4.278 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 63 1.243 -4.216 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.051 -5.307 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.039 -3.610 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.561 -4.325 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.090 -5.499 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.535 -3.578 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.184 -2.480 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.900 -2.993 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.380 -3.626 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.605 -5.119 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.944 -5.799 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.927 -5.342 -11.583 1.00 0.00 H new ATOM 858 N LEU A 64 1.073 -1.676 -7.010 1.00 0.00 N ATOM 859 CA LEU A 64 0.937 -0.230 -6.904 1.00 0.00 C ATOM 860 C LEU A 64 0.564 0.382 -8.248 1.00 0.00 C ATOM 861 O LEU A 64 1.114 0.018 -9.286 1.00 0.00 O ATOM 862 CB LEU A 64 2.227 0.377 -6.364 1.00 0.00 C ATOM 863 CG LEU A 64 2.471 0.098 -4.882 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.909 0.408 -4.505 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.508 0.899 -4.022 1.00 0.00 C ATOM 0 H LEU A 64 2.008 -1.996 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 64 0.130 -0.006 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.068 -0.010 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.203 1.455 -6.521 1.00 0.00 H new ATOM 0 HG LEU A 64 2.293 -0.962 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.060 0.202 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.582 -0.214 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.119 1.459 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.697 0.687 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.652 1.963 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.483 0.622 -4.269 1.00 0.00 H new ATOM 876 N GLU A 65 -0.383 1.312 -8.203 1.00 0.00 N ATOM 877 CA GLU A 65 -0.891 1.981 -9.394 1.00 0.00 C ATOM 878 C GLU A 65 -0.139 3.284 -9.680 1.00 0.00 C ATOM 879 O GLU A 65 0.571 3.397 -10.676 1.00 0.00 O ATOM 880 CB GLU A 65 -2.379 2.278 -9.200 1.00 0.00 C ATOM 881 CG GLU A 65 -3.123 2.601 -10.481 1.00 0.00 C ATOM 882 CD GLU A 65 -3.192 1.415 -11.422 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.741 0.365 -11.027 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.692 1.523 -12.559 1.00 0.00 O ATOM 0 H GLU A 65 -0.821 1.624 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.741 1.320 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.851 1.417 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.483 3.117 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.134 2.929 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.631 3.433 -10.984 1.00 0.00 H new ATOM 889 N GLU A 66 -0.286 4.263 -8.790 1.00 0.00 N ATOM 890 CA GLU A 66 0.354 5.570 -8.960 1.00 0.00 C ATOM 891 C GLU A 66 1.800 5.548 -8.512 1.00 0.00 C ATOM 892 O GLU A 66 2.249 6.427 -7.775 1.00 0.00 O ATOM 893 CB GLU A 66 -0.412 6.624 -8.176 1.00 0.00 C ATOM 894 CG GLU A 66 -1.874 6.653 -8.537 1.00 0.00 C ATOM 895 CD GLU A 66 -2.141 7.313 -9.873 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.686 6.781 -10.909 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.815 8.363 -9.898 1.00 0.00 O ATOM 0 H GLU A 66 -0.844 4.178 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 66 0.337 5.814 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.307 6.428 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.026 7.604 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.257 5.633 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.424 7.183 -7.760 1.00 0.00 H new ATOM 902 N GLY A 67 2.503 4.520 -8.939 1.00 0.00 N ATOM 903 CA GLY A 67 3.907 4.366 -8.602 1.00 0.00 C ATOM 904 C GLY A 67 4.162 4.330 -7.107 1.00 0.00 C ATOM 905 O GLY A 67 5.265 4.623 -6.653 1.00 0.00 O ATOM 0 H GLY A 67 2.125 3.774 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.283 3.446 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.472 5.189 -9.041 1.00 0.00 H new ATOM 909 N GLY A 68 3.140 3.981 -6.339 1.00 0.00 N ATOM 910 CA GLY A 68 3.298 3.913 -4.906 1.00 0.00 C ATOM 911 C GLY A 68 2.349 4.819 -4.148 1.00 0.00 C ATOM 912 O GLY A 68 2.206 4.679 -2.937 1.00 0.00 O ATOM 0 H GLY A 68 2.209 3.745 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.143 2.884 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.324 4.178 -4.649 1.00 0.00 H new ATOM 916 N ARG A 69 1.682 5.738 -4.841 1.00 0.00 N ATOM 917 CA ARG A 69 0.759 6.650 -4.164 1.00 0.00 C ATOM 918 C ARG A 69 -0.657 6.095 -4.174 1.00 0.00 C ATOM 919 O ARG A 69 -1.591 6.715 -3.669 1.00 0.00 O ATOM 920 CB ARG A 69 0.786 8.032 -4.813 1.00 0.00 C ATOM 921 CG ARG A 69 2.167 8.659 -4.822 1.00 0.00 C ATOM 922 CD ARG A 69 2.101 10.169 -4.689 1.00 0.00 C ATOM 923 NE ARG A 69 1.389 10.792 -5.801 1.00 0.00 N ATOM 924 CZ ARG A 69 0.249 11.470 -5.675 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.329 11.598 -4.485 1.00 0.00 N ATOM 926 NH2 ARG A 69 -0.320 12.018 -6.739 1.00 0.00 N ATOM 0 H ARG A 69 1.759 5.872 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 69 1.086 6.746 -3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.423 7.953 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.098 8.690 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.758 8.248 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.679 8.398 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.606 10.428 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.113 10.572 -4.637 1.00 0.00 H new ATOM 0 HE ARG A 69 1.790 10.702 -6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.100 11.176 -3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.202 12.118 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.115 11.921 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.193 12.537 -6.640 1.00 0.00 H new ATOM 937 N LYS A 70 -0.797 4.910 -4.736 1.00 0.00 N ATOM 938 CA LYS A 70 -2.082 4.249 -4.833 1.00 0.00 C ATOM 939 C LYS A 70 -1.845 2.759 -4.995 1.00 0.00 C ATOM 940 O LYS A 70 -1.004 2.352 -5.791 1.00 0.00 O ATOM 941 CB LYS A 70 -2.854 4.801 -6.031 1.00 0.00 C ATOM 942 CG LYS A 70 -4.341 4.487 -6.038 1.00 0.00 C ATOM 943 CD LYS A 70 -4.926 4.682 -7.429 1.00 0.00 C ATOM 944 CE LYS A 70 -6.419 4.966 -7.391 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.711 6.378 -7.015 1.00 0.00 N ATOM 0 H LYS A 70 -0.024 4.380 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.670 4.429 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.727 5.883 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.410 4.404 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.502 3.460 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.857 5.132 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.414 5.507 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.743 3.789 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.853 4.754 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.897 4.295 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.561 6.409 -6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.904 6.771 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.872 6.940 -7.875 1.00 0.00 H new ATOM 955 N LEU A 71 -2.563 1.960 -4.235 1.00 0.00 N ATOM 956 CA LEU A 71 -2.427 0.514 -4.292 1.00 0.00 C ATOM 957 C LEU A 71 -3.674 -0.073 -4.935 1.00 0.00 C ATOM 958 O LEU A 71 -4.791 0.254 -4.538 1.00 0.00 O ATOM 959 CB LEU A 71 -2.223 -0.040 -2.875 1.00 0.00 C ATOM 960 CG LEU A 71 -1.942 -1.545 -2.763 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.134 -1.830 -1.506 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.241 -2.338 -2.730 1.00 0.00 C ATOM 0 H LEU A 71 -3.255 2.289 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.559 0.238 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.394 0.497 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.114 0.186 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.371 -1.853 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.939 -2.900 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.188 -1.291 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.696 -1.504 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.016 -3.402 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.835 -2.027 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.803 -2.154 -3.645 1.00 0.00 H new ATOM 973 N THR A 72 -3.491 -0.916 -5.931 1.00 0.00 N ATOM 974 CA THR A 72 -4.613 -1.520 -6.616 1.00 0.00 C ATOM 975 C THR A 72 -4.568 -3.042 -6.532 1.00 0.00 C ATOM 976 O THR A 72 -3.536 -3.669 -6.787 1.00 0.00 O ATOM 977 CB THR A 72 -4.676 -1.054 -8.081 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.356 -0.962 -8.639 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.367 0.298 -8.178 1.00 0.00 C ATOM 0 H THR A 72 -2.576 -1.198 -6.283 1.00 0.00 H new ATOM 0 HA THR A 72 -5.522 -1.190 -6.112 1.00 0.00 H new ATOM 0 HB THR A 72 -5.248 -1.789 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.407 -0.571 -9.536 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.404 0.614 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.381 0.217 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.812 1.033 -7.595 1.00 0.00 H new ATOM 987 N CYS A 73 -5.699 -3.623 -6.158 1.00 0.00 N ATOM 988 CA CYS A 73 -5.825 -5.063 -6.017 1.00 0.00 C ATOM 989 C CYS A 73 -7.292 -5.465 -6.118 1.00 0.00 C ATOM 990 O CYS A 73 -8.173 -4.611 -6.211 1.00 0.00 O ATOM 991 CB CYS A 73 -5.255 -5.511 -4.667 1.00 0.00 C ATOM 992 SG CYS A 73 -6.025 -4.713 -3.237 1.00 0.00 S ATOM 0 H CYS A 73 -6.553 -3.108 -5.944 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.264 -5.548 -6.816 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.374 -6.591 -4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.185 -5.306 -4.651 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.478 -5.158 -2.145 1.00 0.00 H new ATOM 997 N ARG A 74 -7.553 -6.758 -6.125 1.00 0.00 N ATOM 998 CA ARG A 74 -8.919 -7.247 -6.196 1.00 0.00 C ATOM 999 C ARG A 74 -9.354 -7.804 -4.851 1.00 0.00 C ATOM 1000 O ARG A 74 -8.989 -8.925 -4.489 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.065 -8.316 -7.281 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.473 -8.889 -7.371 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.564 -10.061 -8.337 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.954 -10.463 -8.565 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.334 -11.687 -8.939 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.438 -12.653 -9.103 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.620 -11.945 -9.148 1.00 0.00 N ATOM 0 H ARG A 74 -6.841 -7.487 -6.083 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.563 -6.407 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.792 -7.886 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.362 -9.125 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.794 -9.213 -6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.161 -8.106 -7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.103 -9.788 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.000 -10.905 -7.940 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.681 -9.760 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.449 -12.463 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.739 -13.585 -9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.315 -11.209 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.913 -12.879 -9.434 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.111 -7.015 -4.081 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.613 -7.439 -2.781 1.00 0.00 C ATOM 1020 C PRO A 75 -11.592 -8.587 -2.939 1.00 0.00 C ATOM 1021 O PRO A 75 -12.540 -8.488 -3.716 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.331 -6.206 -2.230 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.600 -5.336 -3.407 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.541 -5.652 -4.426 1.00 0.00 C ATOM 0 HA PRO A 75 -9.818 -7.791 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.258 -6.484 -1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.714 -5.690 -1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.595 -5.526 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.566 -4.283 -3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.936 -5.603 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.712 -4.946 -4.372 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.343 -9.679 -2.235 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.209 -10.839 -2.311 1.00 0.00 C ATOM 1031 C LYS A 76 -12.799 -11.188 -0.949 1.00 0.00 C ATOM 1032 O LYS A 76 -12.158 -11.004 0.085 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.462 -12.034 -2.925 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.123 -12.391 -2.277 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.296 -13.219 -1.010 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.277 -14.352 -0.918 1.00 0.00 C ATOM 1037 NZ LYS A 76 -7.871 -13.865 -0.866 1.00 0.00 N ATOM 0 H LYS A 76 -10.548 -9.784 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.044 -10.592 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.112 -12.908 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.288 -11.825 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.513 -12.946 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.582 -11.475 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.197 -12.572 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.303 -13.635 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.483 -14.947 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.396 -15.011 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.375 -14.319 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.389 -14.102 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.866 -12.834 -0.733 1.00 0.00 H new ATOM 1047 N THR A 77 -14.038 -11.667 -0.952 1.00 0.00 N ATOM 1048 CA THR A 77 -14.699 -12.053 0.280 1.00 0.00 C ATOM 1049 C THR A 77 -14.113 -13.363 0.764 1.00 0.00 C ATOM 1050 O THR A 77 -13.813 -14.249 -0.039 1.00 0.00 O ATOM 1051 CB THR A 77 -16.226 -12.218 0.105 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.846 -12.410 1.381 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.554 -13.402 -0.791 1.00 0.00 C ATOM 0 H THR A 77 -14.600 -11.795 -1.793 1.00 0.00 H new ATOM 0 HA THR A 77 -14.535 -11.257 1.006 1.00 0.00 H new ATOM 0 HB THR A 77 -16.608 -11.310 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.813 -12.512 1.263 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.635 -13.491 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.107 -13.250 -1.773 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.155 -14.315 -0.348 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.969 -13.479 2.072 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.397 -14.663 2.695 1.00 0.00 C ATOM 1063 C VAL A 78 -14.363 -15.847 2.642 1.00 0.00 C ATOM 1064 O VAL A 78 -13.978 -16.991 2.897 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.001 -14.363 4.156 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -14.234 -14.152 5.027 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -12.110 -15.455 4.725 1.00 0.00 C ATOM 0 H VAL A 78 -14.245 -12.755 2.735 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.504 -14.935 2.132 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.427 -13.436 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.925 -13.942 6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.811 -13.311 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.849 -15.052 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.850 -15.212 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.640 -16.407 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.200 -15.530 4.129 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.614 -15.570 2.288 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.625 -16.616 2.194 1.00 0.00 C ATOM 1079 C ASP A 79 -16.267 -17.609 1.095 1.00 0.00 C ATOM 1080 O ASP A 79 -16.601 -18.789 1.182 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.009 -16.014 1.924 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.091 -17.074 1.812 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.448 -17.677 2.845 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.602 -17.302 0.694 1.00 0.00 O ATOM 0 H ASP A 79 -15.951 -14.634 2.062 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.655 -17.142 3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.264 -15.322 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.976 -15.434 1.002 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.552 -17.135 0.085 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.177 -18.009 -1.016 1.00 0.00 C ATOM 1090 C GLY A 80 -14.019 -17.479 -1.842 1.00 0.00 C ATOM 1091 O GLY A 80 -13.404 -18.223 -2.605 1.00 0.00 O ATOM 0 H GLY A 80 -15.226 -16.172 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.911 -18.988 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.040 -18.153 -1.666 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.721 -16.197 -1.702 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.629 -15.605 -2.446 1.00 0.00 C ATOM 1097 C GLY A 81 -13.115 -14.900 -3.688 1.00 0.00 C ATOM 1098 O GLY A 81 -12.355 -14.667 -4.626 1.00 0.00 O ATOM 0 H GLY A 81 -14.217 -15.554 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.098 -14.897 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.916 -16.381 -2.724 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.391 -14.558 -3.691 1.00 0.00 N ATOM 1103 CA PHE A 82 -14.997 -13.886 -4.835 1.00 0.00 C ATOM 1104 C PHE A 82 -15.374 -12.463 -4.467 1.00 0.00 C ATOM 1105 O PHE A 82 -15.648 -12.196 -3.304 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.224 -14.663 -5.329 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.191 -15.037 -4.240 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.223 -14.187 -3.879 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.062 -16.247 -3.576 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.107 -14.535 -2.875 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -17.941 -16.598 -2.571 1.00 0.00 C ATOM 1112 CZ PHE A 82 -18.964 -15.742 -2.220 1.00 0.00 C ATOM 0 H PHE A 82 -15.031 -14.733 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.269 -13.852 -5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.746 -14.062 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.889 -15.571 -5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.338 -13.241 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.265 -16.923 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -19.908 -13.864 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.828 -17.543 -2.060 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.652 -16.016 -1.434 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.361 -11.567 -5.453 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.715 -10.158 -5.264 1.00 0.00 C ATOM 1123 C ARG A 83 -15.292 -9.356 -6.496 1.00 0.00 C ATOM 1124 O ARG A 83 -15.165 -9.918 -7.586 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.040 -9.581 -4.028 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.960 -8.825 -3.083 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.726 -9.769 -2.170 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.982 -10.218 -2.759 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.130 -10.335 -2.085 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.201 -10.000 -0.799 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.206 -10.785 -2.711 1.00 0.00 N ATOM 0 H ARG A 83 -15.103 -11.798 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.794 -10.093 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.569 -10.395 -3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.243 -8.910 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.373 -8.132 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.664 -8.227 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.104 -10.635 -1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.931 -9.268 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.985 -10.459 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.373 -9.649 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.083 -10.094 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.153 -11.038 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.088 -10.878 -2.207 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.016 -8.069 -6.311 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.646 -7.195 -7.422 1.00 0.00 C ATOM 1144 C GLU A 84 -13.234 -6.654 -7.257 1.00 0.00 C ATOM 1145 O GLU A 84 -12.586 -6.908 -6.250 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.625 -6.025 -7.507 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.047 -6.443 -7.816 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.138 -7.239 -9.103 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -16.941 -6.653 -10.184 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.389 -8.459 -9.039 1.00 0.00 O ATOM 0 H GLU A 84 -15.041 -7.607 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.685 -7.784 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.612 -5.483 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.284 -5.332 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.436 -7.041 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.677 -5.557 -7.893 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.763 -5.916 -8.256 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.432 -5.324 -8.204 1.00 0.00 C ATOM 1157 C ARG A 85 -11.542 -3.811 -8.102 1.00 0.00 C ATOM 1158 O ARG A 85 -12.482 -3.214 -8.626 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.595 -5.701 -9.426 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.169 -5.190 -9.338 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.286 -5.702 -10.461 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.913 -5.237 -10.283 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.835 -6.010 -10.391 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -5.944 -7.262 -10.816 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.640 -5.523 -10.098 1.00 0.00 N ATOM 0 H ARG A 85 -13.282 -5.714 -9.110 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.929 -5.718 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.582 -6.786 -9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.066 -5.299 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.177 -4.100 -9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.740 -5.488 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.308 -6.792 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.671 -5.358 -11.421 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.770 -4.252 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.859 -7.639 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.113 -7.848 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.545 -4.555 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.814 -6.115 -10.181 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.563 -3.201 -7.450 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.551 -1.754 -7.248 1.00 0.00 C ATOM 1178 C GLN A 86 -9.190 -1.294 -6.730 1.00 0.00 C ATOM 1179 O GLN A 86 -8.193 -2.002 -6.883 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.670 -1.370 -6.271 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.664 -2.179 -4.986 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.007 -2.168 -4.289 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.218 -1.200 -3.421 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -13.857 -3.019 -4.541 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.761 -3.686 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.726 -1.255 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.577 -0.312 -6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.632 -1.499 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.383 -3.208 -5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.905 -1.780 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.657 -3.754 -5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.762 -2.990 -4.072 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.137 -0.100 -6.159 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.887 0.412 -5.635 1.00 0.00 C ATOM 1193 C GLY A 87 -8.086 1.404 -4.507 1.00 0.00 C ATOM 1194 O GLY A 87 -9.177 1.947 -4.336 1.00 0.00 O ATOM 0 H GLY A 87 -9.937 0.524 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.280 -0.420 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.330 0.891 -6.440 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.029 1.627 -3.737 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.058 2.558 -2.617 1.00 0.00 C ATOM 1200 C ILE A 88 -5.857 3.499 -2.693 1.00 0.00 C ATOM 1201 O ILE A 88 -4.753 3.084 -3.050 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.057 1.809 -1.260 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.157 2.797 -0.096 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.811 0.940 -1.118 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.230 2.131 1.257 1.00 0.00 C ATOM 0 H ILE A 88 -6.128 1.168 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.980 3.136 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.931 1.158 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.293 3.461 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.041 3.419 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.834 0.425 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.786 0.206 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.922 1.568 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.299 2.892 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.109 1.488 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.334 1.531 1.416 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.072 4.767 -2.384 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.999 5.747 -2.433 1.00 0.00 C ATOM 1218 C ASP A 89 -4.166 5.699 -1.164 1.00 0.00 C ATOM 1219 O ASP A 89 -4.699 5.596 -0.057 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.554 7.151 -2.653 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.201 7.298 -4.009 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.471 7.510 -4.995 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.439 7.183 -4.099 1.00 0.00 O ATOM 0 H ASP A 89 -6.977 5.141 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.355 5.497 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.284 7.378 -1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.748 7.879 -2.555 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.856 5.793 -1.327 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.942 5.732 -0.200 1.00 0.00 C ATOM 1229 C LEU A 90 -1.394 7.104 0.138 1.00 0.00 C ATOM 1230 O LEU A 90 -0.187 7.301 0.274 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.801 4.783 -0.506 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.229 3.401 -0.970 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.003 2.574 -1.263 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.113 2.727 0.071 1.00 0.00 C ATOM 0 H LEU A 90 -2.402 5.912 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.497 5.365 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.171 5.230 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.186 4.677 0.388 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.819 3.495 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.305 1.581 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.583 3.057 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.601 2.485 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.406 1.739 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.562 2.627 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.004 3.332 0.238 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.292 8.049 0.271 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.915 9.415 0.616 1.00 0.00 C ATOM 1247 C ASN A 91 -1.735 9.550 2.125 1.00 0.00 C ATOM 1248 O ASN A 91 -1.475 10.632 2.643 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.944 10.424 0.092 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.760 10.726 -1.389 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.457 9.992 -2.244 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -1.997 11.620 -1.760 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.294 7.906 0.147 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.963 9.638 0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.948 10.034 0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.863 11.350 0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.477 12.165 -1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.886 11.815 -2.755 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.877 8.429 2.824 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.714 8.395 4.273 1.00 0.00 C ATOM 1260 C ARG A 92 -0.324 7.893 4.644 1.00 0.00 C ATOM 1261 O ARG A 92 0.030 7.816 5.819 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.764 7.488 4.914 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.170 8.043 4.879 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.047 7.336 5.895 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.672 7.674 7.267 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.435 7.441 8.336 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.648 6.916 8.196 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -4.981 7.758 9.541 1.00 0.00 N ATOM 0 H ARG A 92 -2.106 7.527 2.407 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.842 9.411 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.754 6.524 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.484 7.304 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.150 9.112 5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.590 7.922 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.089 7.607 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.971 6.258 5.753 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.766 8.118 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.001 6.688 7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.226 6.741 9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.056 8.176 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.557 7.584 10.365 1.00 0.00 H new ATOM 1279 N ILE A 93 0.450 7.532 3.632 1.00 0.00 N ATOM 1280 CA ILE A 93 1.797 7.033 3.847 1.00 0.00 C ATOM 1281 C ILE A 93 2.797 8.066 3.343 1.00 0.00 C ATOM 1282 O ILE A 93 3.095 8.138 2.148 1.00 0.00 O ATOM 1283 CB ILE A 93 2.018 5.676 3.137 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.840 4.735 3.408 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.315 5.024 3.604 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.576 4.499 4.880 1.00 0.00 C ATOM 0 H ILE A 93 0.167 7.576 2.653 1.00 0.00 H new ATOM 0 HA ILE A 93 1.943 6.868 4.915 1.00 0.00 H new ATOM 0 HB ILE A 93 2.088 5.864 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.058 5.149 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.033 3.777 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.449 4.072 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.155 5.680 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.270 4.854 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.272 3.823 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.458 4.055 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.351 5.448 5.366 1.00 0.00 H new ATOM 1297 N GLN A 94 3.288 8.883 4.258 1.00 0.00 N ATOM 1298 CA GLN A 94 4.230 9.936 3.920 1.00 0.00 C ATOM 1299 C GLN A 94 5.600 9.637 4.515 1.00 0.00 C ATOM 1300 O GLN A 94 5.712 9.016 5.572 1.00 0.00 O ATOM 1301 CB GLN A 94 3.706 11.278 4.449 1.00 0.00 C ATOM 1302 CG GLN A 94 4.538 12.493 4.049 1.00 0.00 C ATOM 1303 CD GLN A 94 4.352 12.894 2.596 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.458 13.667 2.265 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.224 12.419 1.723 1.00 0.00 N ATOM 0 H GLN A 94 3.048 8.837 5.248 1.00 0.00 H new ATOM 0 HA GLN A 94 4.331 9.988 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.686 11.420 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.659 11.230 5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.271 13.334 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.592 12.279 4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.956 11.778 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.165 12.694 0.742 1.00 0.00 H new ATOM 1312 N ASN A 95 6.637 10.074 3.820 1.00 0.00 N ATOM 1313 CA ASN A 95 8.004 9.885 4.267 1.00 0.00 C ATOM 1314 C ASN A 95 8.472 11.115 5.037 1.00 0.00 C ATOM 1315 O ASN A 95 8.480 12.229 4.512 1.00 0.00 O ATOM 1316 CB ASN A 95 8.943 9.623 3.076 1.00 0.00 C ATOM 1317 CG ASN A 95 8.906 10.719 2.015 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.862 11.320 1.748 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.050 10.989 1.404 1.00 0.00 N ATOM 0 H ASN A 95 6.554 10.569 2.932 1.00 0.00 H new ATOM 0 HA ASN A 95 8.033 9.014 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.964 9.520 3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.674 8.673 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.087 11.714 0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.894 10.472 1.650 1.00 0.00 H new ATOM 1325 N VAL A 96 8.829 10.912 6.290 1.00 0.00 N ATOM 1326 CA VAL A 96 9.306 11.995 7.130 1.00 0.00 C ATOM 1327 C VAL A 96 10.764 11.758 7.493 1.00 0.00 C ATOM 1328 O VAL A 96 11.116 10.731 8.076 1.00 0.00 O ATOM 1329 CB VAL A 96 8.445 12.169 8.407 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.326 10.871 9.188 1.00 0.00 C ATOM 1331 CG2 VAL A 96 9.007 13.271 9.290 1.00 0.00 C ATOM 0 H VAL A 96 8.798 10.003 6.751 1.00 0.00 H new ATOM 0 HA VAL A 96 9.219 12.922 6.563 1.00 0.00 H new ATOM 0 HB VAL A 96 7.443 12.455 8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.715 11.035 10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.859 10.111 8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.318 10.534 9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.387 13.376 10.180 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.025 13.017 9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.012 14.212 8.739 1.00 0.00 H new ATOM 1341 N ASN A 97 11.611 12.696 7.090 1.00 0.00 N ATOM 1342 CA ASN A 97 13.048 12.620 7.345 1.00 0.00 C ATOM 1343 C ASN A 97 13.642 11.359 6.726 1.00 0.00 C ATOM 1344 O ASN A 97 14.649 10.836 7.197 1.00 0.00 O ATOM 1345 CB ASN A 97 13.336 12.656 8.846 1.00 0.00 C ATOM 1346 CG ASN A 97 14.273 13.783 9.223 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.492 13.620 9.231 1.00 0.00 O ATOM 1348 ND2 ASN A 97 13.707 14.935 9.544 1.00 0.00 N ATOM 0 H ASN A 97 11.325 13.530 6.578 1.00 0.00 H new ATOM 0 HA ASN A 97 13.516 13.488 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.399 12.768 9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.772 11.705 9.153 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.286 15.731 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.691 15.027 9.524 1.00 0.00 H new ATOM 1354 N GLY A 98 13.006 10.877 5.666 1.00 0.00 N ATOM 1355 CA GLY A 98 13.472 9.686 4.990 1.00 0.00 C ATOM 1356 C GLY A 98 12.825 8.416 5.506 1.00 0.00 C ATOM 1357 O GLY A 98 12.988 7.351 4.914 1.00 0.00 O ATOM 0 H GLY A 98 12.169 11.295 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.273 9.780 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.553 9.609 5.107 1.00 0.00 H new ATOM 1361 N ARG A 99 12.071 8.513 6.592 1.00 0.00 N ATOM 1362 CA ARG A 99 11.433 7.335 7.156 1.00 0.00 C ATOM 1363 C ARG A 99 9.965 7.275 6.769 1.00 0.00 C ATOM 1364 O ARG A 99 9.255 8.275 6.829 1.00 0.00 O ATOM 1365 CB ARG A 99 11.569 7.300 8.678 1.00 0.00 C ATOM 1366 CG ARG A 99 13.006 7.278 9.162 1.00 0.00 C ATOM 1367 CD ARG A 99 13.477 8.657 9.587 1.00 0.00 C ATOM 1368 NE ARG A 99 12.810 9.103 10.813 1.00 0.00 N ATOM 1369 CZ ARG A 99 13.301 10.023 11.639 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.452 10.623 11.360 1.00 0.00 N ATOM 1371 NH2 ARG A 99 12.638 10.338 12.745 1.00 0.00 N ATOM 0 H ARG A 99 11.888 9.382 7.093 1.00 0.00 H new ATOM 0 HA ARG A 99 11.943 6.464 6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.067 8.171 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.053 6.419 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.097 6.588 10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.651 6.902 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.555 8.641 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.283 9.371 8.787 1.00 0.00 H new ATOM 0 HE ARG A 99 11.912 8.681 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.962 10.379 10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.827 11.328 11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.755 9.875 12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.012 11.043 13.380 1.00 0.00 H new ATOM 1382 N LEU A 100 9.525 6.096 6.366 1.00 0.00 N ATOM 1383 CA LEU A 100 8.142 5.886 5.975 1.00 0.00 C ATOM 1384 C LEU A 100 7.281 5.699 7.216 1.00 0.00 C ATOM 1385 O LEU A 100 7.508 4.772 7.997 1.00 0.00 O ATOM 1386 CB LEU A 100 8.035 4.657 5.072 1.00 0.00 C ATOM 1387 CG LEU A 100 7.151 4.837 3.842 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.694 5.954 2.971 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.066 3.543 3.048 1.00 0.00 C ATOM 0 H LEU A 100 10.111 5.263 6.301 1.00 0.00 H new ATOM 0 HA LEU A 100 7.789 6.758 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.036 4.377 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.648 3.825 5.660 1.00 0.00 H new ATOM 0 HG LEU A 100 6.147 5.102 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.056 6.075 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.710 6.884 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.706 5.707 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.431 3.693 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.064 3.249 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.642 2.759 3.675 1.00 0.00 H new ATOM 1400 N VAL A 101 6.317 6.586 7.412 1.00 0.00 N ATOM 1401 CA VAL A 101 5.440 6.508 8.570 1.00 0.00 C ATOM 1402 C VAL A 101 3.983 6.664 8.156 1.00 0.00 C ATOM 1403 O VAL A 101 3.652 7.489 7.303 1.00 0.00 O ATOM 1404 CB VAL A 101 5.778 7.597 9.616 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.907 7.456 10.856 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.251 7.548 9.995 1.00 0.00 C ATOM 0 H VAL A 101 6.123 7.367 6.785 1.00 0.00 H new ATOM 0 HA VAL A 101 5.595 5.526 9.018 1.00 0.00 H new ATOM 0 HB VAL A 101 5.571 8.566 9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.167 8.234 11.574 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.858 7.555 10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.072 6.477 11.307 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.463 8.323 10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.485 6.571 10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.861 7.714 9.107 1.00 0.00 H new ATOM 1416 N PHE A 102 3.126 5.851 8.748 1.00 0.00 N ATOM 1417 CA PHE A 102 1.702 5.915 8.474 1.00 0.00 C ATOM 1418 C PHE A 102 1.090 7.038 9.284 1.00 0.00 C ATOM 1419 O PHE A 102 1.304 7.132 10.498 1.00 0.00 O ATOM 1420 CB PHE A 102 1.006 4.592 8.805 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.472 4.738 9.061 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.361 5.003 8.028 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -0.971 4.619 10.350 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.712 5.143 8.279 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.319 4.759 10.605 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.191 5.020 9.567 1.00 0.00 C ATOM 0 H PHE A 102 3.393 5.136 9.424 1.00 0.00 H new ATOM 0 HA PHE A 102 1.564 6.103 7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.157 3.895 7.981 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.477 4.153 9.684 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.992 5.101 7.018 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.294 4.414 11.166 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.394 5.349 7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.692 4.665 11.614 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.248 5.128 9.763 1.00 0.00 H new ATOM 1435 N GLN A 103 0.345 7.886 8.613 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.291 9.008 9.263 1.00 0.00 C ATOM 1437 C GLN A 103 -1.544 9.417 8.499 1.00 0.00 C ATOM 1438 O GLN A 103 -2.647 8.998 8.904 1.00 0.00 O ATOM 1439 CB GLN A 103 0.709 10.157 9.349 1.00 0.00 C ATOM 1440 CG GLN A 103 0.223 11.358 10.137 1.00 0.00 C ATOM 1441 CD GLN A 103 1.330 12.365 10.394 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.308 12.419 9.498 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 1.318 13.076 11.399 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -1.427 10.140 7.492 1.00 0.00 O ATOM 0 H GLN A 103 0.164 7.819 7.611 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.599 8.732 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.628 9.788 9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.960 10.479 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.587 11.843 9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.188 11.023 11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.548 13.005 12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.078 13.736 11.566 1.00 0.00 H new