USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 653 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 5 CYS SG : rot 104:sc= 2.93 USER MOD Set 1.2: A 10 CYS SG : rot 180:sc= -0.524! USER MOD Set 1.3: A 12 ASN : amide:sc= 0.363 K(o=-3.1,f=-5) USER MOD Set 1.4: A 54 CYS SG : rot -93:sc= -3.5! USER MOD Set 1.5: A 57 HIS : no HD1:sc= -2.42 K(o=-3.1,f=-17!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 70:sc= 0.708 USER MOD Single : A 6 SER OG : rot 180:sc= 0.04 USER MOD Single : A 8 TYR OH : rot 180:sc= 0.373 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.03) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -0.501 (180deg=-1.26) USER MOD Single : A 21 SER OG : rot 180:sc= 0.044 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -10.4! C(o=-11!,f=-10!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.071 USER MOD Single : A 33 CYS SG : rot 44:sc= -3.53! USER MOD Single : A 34 LYS NZ :NH3+ 148:sc= -0.315 (180deg=-1.05) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.031) USER MOD Single : A 44 ASN : amide:sc= 0.124 K(o=0.12,f=-2.8!) USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= -0.229 (180deg=-1.03) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= 1.28 (180deg=-0.17) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 120:sc= -4.96! USER MOD Single : A 52 SER OG : rot 180:sc= 0.00649 USER MOD Single : A 55 SER OG : rot 110:sc= -2.2! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : A 62 SER OG : rot -140:sc= -2.8! USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.13) USER MOD Single : A 67 SER OG : rot -126:sc= -3.07! USER MOD Single : A 68 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0.361 (180deg=0.354) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.0832) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0635 F(o=-0.74,f=-0.063) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -8.090 -4.433 -5.608 1.00 10.00 N ATOM 37 CA GLN A 3 -9.460 -4.024 -5.821 1.00 10.00 C ATOM 38 C GLN A 3 -9.528 -2.508 -5.970 1.00 10.00 C ATOM 39 O GLN A 3 -10.019 -2.003 -6.983 1.00 10.00 O ATOM 40 CB GLN A 3 -10.346 -4.497 -4.659 1.00 10.00 C ATOM 41 CG GLN A 3 -10.776 -5.956 -4.769 1.00 10.00 C ATOM 42 CD GLN A 3 -10.992 -6.611 -3.413 1.00 10.00 C ATOM 43 OE1 GLN A 3 -10.113 -7.307 -2.893 1.00 10.00 O ATOM 44 NE2 GLN A 3 -12.161 -6.398 -2.826 1.00 10.00 N ATOM 0 HA GLN A 3 -9.831 -4.483 -6.738 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.807 -4.356 -3.722 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -11.235 -3.868 -4.613 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -11.698 -6.016 -5.347 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -10.018 -6.513 -5.320 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.864 -5.818 -3.284 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -12.358 -6.814 -1.916 1.00 10.00 H new ATOM 53 N SER A 4 -9.020 -1.789 -4.963 1.00 10.00 N ATOM 54 CA SER A 4 -9.037 -0.328 -4.979 1.00 10.00 C ATOM 55 C SER A 4 -8.358 0.257 -3.734 1.00 10.00 C ATOM 56 O SER A 4 -7.968 -0.475 -2.816 1.00 10.00 O ATOM 57 CB SER A 4 -10.508 0.109 -5.059 1.00 10.00 C ATOM 58 OG SER A 4 -10.727 1.416 -4.560 1.00 10.00 O ATOM 0 H SER A 4 -8.594 -2.196 -4.131 1.00 10.00 H new ATOM 0 HA SER A 4 -8.477 0.044 -5.837 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.839 0.063 -6.097 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.121 -0.596 -4.497 1.00 10.00 H new ATOM 0 HG SER A 4 -10.328 2.070 -5.171 1.00 10.00 H new ATOM 64 N CYS A 5 -8.165 1.582 -3.757 1.00 10.00 N ATOM 65 CA CYS A 5 -7.477 2.294 -2.687 1.00 10.00 C ATOM 66 C CYS A 5 -8.487 2.495 -1.560 1.00 10.00 C ATOM 67 O CYS A 5 -9.698 2.513 -1.774 1.00 10.00 O ATOM 68 CB CYS A 5 -6.972 3.649 -3.220 1.00 10.00 C ATOM 69 SG CYS A 5 -7.095 3.815 -5.013 1.00 10.00 S ATOM 0 H CYS A 5 -8.482 2.183 -4.517 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.615 1.735 -2.322 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.543 4.450 -2.750 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -5.932 3.782 -2.922 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.097 4.588 -5.309 1.00 10.00 H new ATOM 74 N SER A 6 -7.928 2.676 -0.346 1.00 10.00 N ATOM 75 CA SER A 6 -8.683 2.903 0.874 1.00 10.00 C ATOM 76 C SER A 6 -9.397 4.256 0.881 1.00 10.00 C ATOM 77 O SER A 6 -9.980 4.648 1.889 1.00 10.00 O ATOM 78 CB SER A 6 -7.726 2.773 2.063 1.00 10.00 C ATOM 79 OG SER A 6 -6.713 1.821 1.782 1.00 10.00 O ATOM 0 H SER A 6 -6.919 2.666 -0.198 1.00 10.00 H new ATOM 0 HA SER A 6 -9.472 2.154 0.943 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.274 3.741 2.281 1.00 10.00 H new ATOM 0 HB3 SER A 6 -8.280 2.472 2.952 1.00 10.00 H new ATOM 0 HG SER A 6 -6.108 1.750 2.550 1.00 10.00 H new ATOM 85 N ALA A 7 -9.295 4.978 -0.232 1.00 10.00 N ATOM 86 CA ALA A 7 -9.955 6.276 -0.410 1.00 10.00 C ATOM 87 C ALA A 7 -11.486 6.199 -0.266 1.00 10.00 C ATOM 88 O ALA A 7 -12.026 5.354 0.447 1.00 10.00 O ATOM 89 CB ALA A 7 -9.602 6.834 -1.776 1.00 10.00 C ATOM 0 H ALA A 7 -8.750 4.681 -1.042 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.594 6.932 0.383 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.091 7.799 -1.912 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.522 6.961 -1.849 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -9.940 6.144 -2.549 1.00 10.00 H new ATOM 95 N TYR A 8 -12.189 7.064 -0.982 1.00 10.00 N ATOM 96 CA TYR A 8 -13.636 7.102 -0.891 1.00 10.00 C ATOM 97 C TYR A 8 -14.254 6.702 -2.233 1.00 10.00 C ATOM 98 O TYR A 8 -14.798 7.529 -2.962 1.00 10.00 O ATOM 99 CB TYR A 8 -14.108 8.498 -0.443 1.00 10.00 C ATOM 100 CG TYR A 8 -15.610 8.642 -0.258 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.469 7.549 -0.340 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.167 9.888 -0.005 1.00 10.00 C ATOM 103 CE1 TYR A 8 -17.832 7.696 -0.178 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.529 10.043 0.158 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.357 8.946 0.069 1.00 10.00 C ATOM 106 OH TYR A 8 -19.715 9.093 0.244 1.00 10.00 O ATOM 0 H TYR A 8 -11.783 7.742 -1.626 1.00 10.00 H new ATOM 0 HA TYR A 8 -13.969 6.386 -0.140 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.616 8.746 0.498 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -13.776 9.230 -1.179 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.061 6.568 -0.534 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.523 10.752 0.066 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.483 6.837 -0.244 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -17.944 11.021 0.355 1.00 10.00 H new ATOM 0 HH TYR A 8 -19.923 10.036 0.410 1.00 10.00 H new ATOM 116 N GLY A 9 -14.130 5.426 -2.558 1.00 10.00 N ATOM 117 CA GLY A 9 -14.705 4.921 -3.780 1.00 10.00 C ATOM 118 C GLY A 9 -13.806 5.068 -4.988 1.00 10.00 C ATOM 119 O GLY A 9 -14.285 5.164 -6.114 1.00 10.00 O ATOM 0 H GLY A 9 -13.640 4.731 -1.994 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.948 3.867 -3.647 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.643 5.443 -3.972 1.00 10.00 H new ATOM 123 N CYS A 10 -12.493 5.061 -4.763 1.00 10.00 N ATOM 124 CA CYS A 10 -11.536 5.213 -5.839 1.00 10.00 C ATOM 125 C CYS A 10 -11.137 3.890 -6.438 1.00 10.00 C ATOM 126 O CYS A 10 -10.057 3.367 -6.151 1.00 10.00 O ATOM 127 CB CYS A 10 -10.297 5.948 -5.361 1.00 10.00 C ATOM 128 SG CYS A 10 -9.033 6.081 -6.633 1.00 10.00 S ATOM 0 H CYS A 10 -12.074 4.951 -3.839 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.030 5.799 -6.614 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.578 6.947 -5.029 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.883 5.429 -4.496 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.009 6.728 -6.161 1.00 10.00 H new ATOM 133 N LYS A 11 -12.031 3.309 -7.213 1.00 10.00 N ATOM 134 CA LYS A 11 -11.720 2.072 -7.886 1.00 10.00 C ATOM 135 C LYS A 11 -10.718 2.364 -8.995 1.00 10.00 C ATOM 136 O LYS A 11 -11.046 2.222 -10.169 1.00 10.00 O ATOM 137 CB LYS A 11 -12.980 1.437 -8.461 1.00 10.00 C ATOM 138 CG LYS A 11 -13.862 0.764 -7.416 1.00 10.00 C ATOM 139 CD LYS A 11 -14.965 -0.065 -8.060 1.00 10.00 C ATOM 140 CE LYS A 11 -15.492 -1.133 -7.110 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.396 -0.577 -6.067 1.00 10.00 N ATOM 0 H LYS A 11 -12.968 3.672 -7.389 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.291 1.367 -7.174 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.561 2.204 -8.973 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -12.694 0.699 -9.211 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.250 0.124 -6.780 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.306 1.523 -6.771 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.783 0.589 -8.363 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -14.584 -0.538 -8.965 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -16.027 -1.891 -7.682 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.651 -1.632 -6.628 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.726 -1.345 -5.448 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -15.881 0.127 -5.501 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -17.214 -0.124 -6.522 1.00 10.00 H new ATOM 155 N ASN A 12 -9.508 2.777 -8.653 1.00 10.00 N ATOM 156 CA ASN A 12 -8.497 3.071 -9.669 1.00 10.00 C ATOM 157 C ASN A 12 -7.750 1.813 -10.071 1.00 10.00 C ATOM 158 O ASN A 12 -6.554 1.874 -10.356 1.00 10.00 O ATOM 159 CB ASN A 12 -7.491 4.087 -9.159 1.00 10.00 C ATOM 160 CG ASN A 12 -7.545 5.396 -9.926 1.00 10.00 C ATOM 161 OD1 ASN A 12 -6.703 5.660 -10.777 1.00 10.00 O ATOM 162 ND2 ASN A 12 -8.543 6.216 -9.645 1.00 10.00 N ATOM 0 H ASN A 12 -9.199 2.917 -7.691 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.021 3.478 -10.534 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.679 4.281 -8.103 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.487 3.668 -9.233 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -8.631 7.102 -10.143 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -9.225 5.963 -8.930 1.00 10.00 H new ATOM 169 N ARG A 13 -8.464 0.692 -10.004 1.00 10.00 N ATOM 170 CA ARG A 13 -7.951 -0.659 -10.335 1.00 10.00 C ATOM 171 C ARG A 13 -6.759 -0.598 -11.279 1.00 10.00 C ATOM 172 O ARG A 13 -6.813 0.108 -12.291 1.00 10.00 O ATOM 173 CB ARG A 13 -9.068 -1.486 -10.973 1.00 10.00 C ATOM 174 CG ARG A 13 -9.188 -2.909 -10.444 1.00 10.00 C ATOM 175 CD ARG A 13 -7.894 -3.690 -10.625 1.00 10.00 C ATOM 176 NE ARG A 13 -8.138 -5.050 -11.095 1.00 10.00 N ATOM 177 CZ ARG A 13 -7.449 -5.639 -12.071 1.00 10.00 C ATOM 178 NH1 ARG A 13 -6.493 -4.975 -12.713 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.729 -6.889 -12.412 1.00 10.00 N ATOM 0 H ARG A 13 -9.441 0.685 -9.712 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.617 -1.126 -9.408 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -10.017 -0.973 -10.815 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.902 -1.526 -12.050 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.452 -2.883 -9.387 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.998 -3.422 -10.962 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.253 -3.170 -11.337 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -7.356 -3.725 -9.678 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.884 -5.583 -10.648 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -6.284 -4.010 -12.459 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.969 -5.431 -13.460 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -8.470 -7.396 -11.928 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -7.204 -7.344 -13.159 1.00 10.00 H new ATOM 193 N TYR A 14 -5.710 -1.377 -10.966 1.00 10.00 N ATOM 194 CA TYR A 14 -4.487 -1.371 -11.762 1.00 10.00 C ATOM 195 C TYR A 14 -4.835 -1.439 -13.228 1.00 10.00 C ATOM 196 O TYR A 14 -5.426 -2.402 -13.720 1.00 10.00 O ATOM 197 CB TYR A 14 -3.544 -2.518 -11.389 1.00 10.00 C ATOM 198 CG TYR A 14 -2.118 -2.068 -11.091 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.448 -1.161 -11.917 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.449 -2.540 -9.967 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.158 -0.748 -11.622 1.00 10.00 C ATOM 202 CE2 TYR A 14 -0.159 -2.132 -9.674 1.00 10.00 C ATOM 203 CZ TYR A 14 0.481 -1.239 -10.500 1.00 10.00 C ATOM 204 OH TYR A 14 1.761 -0.826 -10.200 1.00 10.00 O ATOM 0 H TYR A 14 -5.691 -2.014 -10.169 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.960 -0.441 -11.549 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.942 -3.034 -10.516 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.524 -3.240 -12.205 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.942 -0.777 -12.797 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.946 -3.239 -9.310 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.346 -0.044 -12.268 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.344 -2.515 -8.798 1.00 10.00 H new ATOM 0 HH TYR A 14 2.062 -1.266 -9.378 1.00 10.00 H new ATOM 214 N ASP A 15 -4.502 -0.361 -13.879 1.00 10.00 N ATOM 215 CA ASP A 15 -4.670 -0.200 -15.289 1.00 10.00 C ATOM 216 C ASP A 15 -3.453 0.555 -15.734 1.00 10.00 C ATOM 217 O ASP A 15 -3.260 1.707 -15.361 1.00 10.00 O ATOM 218 CB ASP A 15 -5.946 0.558 -15.632 1.00 10.00 C ATOM 219 CG ASP A 15 -6.414 0.271 -17.037 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.975 -0.742 -17.619 1.00 10.00 O ATOM 221 OD2 ASP A 15 -7.230 1.049 -17.561 1.00 10.00 O ATOM 0 H ASP A 15 -4.093 0.455 -13.424 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.769 -1.162 -15.792 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.730 0.285 -14.926 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.773 1.628 -15.519 1.00 10.00 H new ATOM 226 N LYS A 16 -2.624 -0.113 -16.499 1.00 10.00 N ATOM 227 CA LYS A 16 -1.401 0.481 -17.004 1.00 10.00 C ATOM 228 C LYS A 16 -1.733 1.668 -17.901 1.00 10.00 C ATOM 229 O LYS A 16 -0.910 2.558 -18.129 1.00 10.00 O ATOM 230 CB LYS A 16 -0.615 -0.567 -17.775 1.00 10.00 C ATOM 231 CG LYS A 16 -0.656 -0.350 -19.278 1.00 10.00 C ATOM 232 CD LYS A 16 -0.516 -1.649 -20.040 1.00 10.00 C ATOM 233 CE LYS A 16 -1.193 -1.572 -21.397 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.668 -1.726 -21.292 1.00 10.00 N ATOM 0 H LYS A 16 -2.773 -1.079 -16.790 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.795 0.838 -16.171 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.422 -0.556 -17.440 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.014 -1.555 -17.545 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.596 0.131 -19.550 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.145 0.329 -19.569 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.540 -1.883 -20.172 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -0.953 -2.462 -19.460 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.961 -0.615 -21.865 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.792 -2.350 -22.047 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.048 -2.054 -22.203 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.893 -2.421 -20.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.096 -0.810 -21.048 1.00 10.00 H new ATOM 248 N ASP A 17 -2.969 1.667 -18.379 1.00 10.00 N ATOM 249 CA ASP A 17 -3.475 2.722 -19.234 1.00 10.00 C ATOM 250 C ASP A 17 -3.582 4.022 -18.440 1.00 10.00 C ATOM 251 O ASP A 17 -3.515 5.115 -18.995 1.00 10.00 O ATOM 252 CB ASP A 17 -4.846 2.343 -19.797 1.00 10.00 C ATOM 253 CG ASP A 17 -4.751 1.343 -20.932 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.401 0.171 -20.675 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.023 1.723 -22.088 1.00 10.00 O ATOM 0 H ASP A 17 -3.648 0.931 -18.182 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.784 2.861 -20.065 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.460 1.925 -18.999 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.351 3.242 -20.150 1.00 10.00 H new ATOM 260 N LYS A 18 -3.759 3.884 -17.127 1.00 10.00 N ATOM 261 CA LYS A 18 -3.844 5.034 -16.229 1.00 10.00 C ATOM 262 C LYS A 18 -2.482 5.220 -15.557 1.00 10.00 C ATOM 263 O LYS A 18 -1.817 4.236 -15.217 1.00 10.00 O ATOM 264 CB LYS A 18 -4.977 4.842 -15.204 1.00 10.00 C ATOM 265 CG LYS A 18 -4.546 4.262 -13.861 1.00 10.00 C ATOM 266 CD LYS A 18 -5.619 3.365 -13.243 1.00 10.00 C ATOM 267 CE LYS A 18 -7.019 3.966 -13.333 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.824 3.374 -14.442 1.00 10.00 N ATOM 0 H LYS A 18 -3.847 2.982 -16.660 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.087 5.937 -16.789 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.454 5.806 -15.029 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.732 4.187 -15.639 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.629 3.688 -13.993 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.316 5.076 -13.173 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.611 2.398 -13.746 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.374 3.182 -12.197 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.539 3.811 -12.388 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.940 5.043 -13.480 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.829 3.362 -14.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.702 3.945 -15.302 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.502 2.402 -14.624 1.00 10.00 H new ATOM 282 N PRO A 19 -2.022 6.466 -15.365 1.00 10.00 N ATOM 283 CA PRO A 19 -0.697 6.710 -14.798 1.00 10.00 C ATOM 284 C PRO A 19 -0.607 6.731 -13.268 1.00 10.00 C ATOM 285 O PRO A 19 -0.449 7.795 -12.665 1.00 10.00 O ATOM 286 CB PRO A 19 -0.371 8.092 -15.360 1.00 10.00 C ATOM 287 CG PRO A 19 -1.687 8.789 -15.456 1.00 10.00 C ATOM 288 CD PRO A 19 -2.725 7.720 -15.703 1.00 10.00 C ATOM 0 HA PRO A 19 -0.015 5.901 -15.059 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.315 8.632 -14.707 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.109 8.018 -16.336 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.904 9.335 -14.538 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.681 9.518 -16.266 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.607 7.866 -15.079 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.064 7.723 -16.739 1.00 10.00 H new ATOM 296 N VAL A 20 -0.675 5.564 -12.640 1.00 10.00 N ATOM 297 CA VAL A 20 -0.570 5.475 -11.179 1.00 10.00 C ATOM 298 C VAL A 20 0.144 4.185 -10.758 1.00 10.00 C ATOM 299 O VAL A 20 0.038 3.150 -11.423 1.00 10.00 O ATOM 300 CB VAL A 20 -1.953 5.538 -10.442 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.847 6.657 -10.955 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.695 4.214 -10.510 1.00 10.00 C ATOM 0 H VAL A 20 -0.802 4.668 -13.111 1.00 10.00 H new ATOM 0 HA VAL A 20 0.007 6.351 -10.882 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.715 5.753 -9.400 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.789 6.650 -10.407 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.350 7.616 -10.809 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.044 6.508 -12.017 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.647 4.303 -9.987 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.877 3.952 -11.552 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.094 3.436 -10.040 1.00 10.00 H new ATOM 312 N SER A 21 0.915 4.302 -9.678 1.00 10.00 N ATOM 313 CA SER A 21 1.660 3.187 -9.092 1.00 10.00 C ATOM 314 C SER A 21 0.930 2.713 -7.835 1.00 10.00 C ATOM 315 O SER A 21 0.026 3.408 -7.359 1.00 10.00 O ATOM 316 CB SER A 21 3.084 3.633 -8.758 1.00 10.00 C ATOM 317 OG SER A 21 3.172 5.055 -8.703 1.00 10.00 O ATOM 0 H SER A 21 1.042 5.183 -9.179 1.00 10.00 H new ATOM 0 HA SER A 21 1.721 2.362 -9.802 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.387 3.209 -7.801 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.775 3.251 -9.509 1.00 10.00 H new ATOM 0 HG SER A 21 4.091 5.318 -8.486 1.00 10.00 H new ATOM 323 N PHE A 22 1.314 1.569 -7.271 1.00 10.00 N ATOM 324 CA PHE A 22 0.585 1.079 -6.114 1.00 10.00 C ATOM 325 C PHE A 22 1.345 0.938 -4.783 1.00 10.00 C ATOM 326 O PHE A 22 2.086 -0.017 -4.590 1.00 10.00 O ATOM 327 CB PHE A 22 -0.170 -0.206 -6.445 1.00 10.00 C ATOM 328 CG PHE A 22 -1.655 0.029 -6.595 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.422 0.404 -5.501 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.278 -0.107 -7.825 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.779 0.637 -5.633 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.637 0.125 -7.963 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.387 0.497 -6.865 1.00 10.00 C ATOM 0 H PHE A 22 2.093 0.988 -7.583 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.104 1.899 -5.910 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.224 -0.630 -7.368 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.003 -0.940 -5.658 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.953 0.515 -4.534 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.697 -0.398 -8.688 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.363 0.928 -4.773 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.109 0.015 -8.928 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.447 0.678 -6.969 1.00 10.00 H new ATOM 343 N HIS A 23 1.153 1.830 -3.856 1.00 10.00 N ATOM 344 CA HIS A 23 1.985 1.859 -2.645 1.00 10.00 C ATOM 345 C HIS A 23 1.349 1.243 -1.435 1.00 10.00 C ATOM 346 O HIS A 23 0.245 0.754 -1.523 1.00 10.00 O ATOM 347 CB HIS A 23 2.320 3.305 -2.266 1.00 10.00 C ATOM 348 CG HIS A 23 2.030 4.280 -3.318 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.810 4.998 -4.151 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.747 4.586 -3.623 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.958 5.718 -4.947 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.717 5.432 -4.587 1.00 10.00 N flip ATOM 0 H HIS A 23 0.435 2.553 -3.896 1.00 10.00 H new ATOM 0 HA HIS A 23 2.866 1.273 -2.908 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.759 3.574 -1.371 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.378 3.367 -2.010 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.829 5.004 -4.182 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.122 4.178 -3.128 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.249 6.400 -5.732 1.00 10.00 H new ATOM 361 N LYS A 24 2.003 1.329 -0.291 1.00 10.00 N ATOM 362 CA LYS A 24 1.430 0.688 0.865 1.00 10.00 C ATOM 363 C LYS A 24 1.357 1.801 1.905 1.00 10.00 C ATOM 364 O LYS A 24 1.969 2.851 1.694 1.00 10.00 O ATOM 365 CB LYS A 24 2.282 -0.485 1.349 1.00 10.00 C ATOM 366 CG LYS A 24 1.515 -1.797 1.398 1.00 10.00 C ATOM 367 CD LYS A 24 2.449 -2.989 1.552 1.00 10.00 C ATOM 368 CE LYS A 24 3.065 -3.041 2.942 1.00 10.00 C ATOM 369 NZ LYS A 24 4.278 -3.900 2.980 1.00 10.00 N ATOM 0 H LYS A 24 2.889 1.813 -0.144 1.00 10.00 H new ATOM 0 HA LYS A 24 0.454 0.250 0.654 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.142 -0.598 0.690 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.669 -0.260 2.343 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.811 -1.776 2.230 1.00 10.00 H new ATOM 0 HG3 LYS A 24 0.928 -1.910 0.486 1.00 10.00 H new ATOM 0 HD2 LYS A 24 1.898 -3.910 1.363 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.240 -2.931 0.805 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.325 -2.032 3.262 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.329 -3.421 3.651 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.667 -3.909 3.944 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.026 -4.869 2.700 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.991 -3.524 2.323 1.00 10.00 H new ATOM 383 N PHE A 25 0.611 1.637 2.977 1.00 10.00 N ATOM 384 CA PHE A 25 0.533 2.693 3.989 1.00 10.00 C ATOM 385 C PHE A 25 1.908 2.970 4.594 1.00 10.00 C ATOM 386 O PHE A 25 2.794 2.114 4.552 1.00 10.00 O ATOM 387 CB PHE A 25 -0.381 2.268 5.122 1.00 10.00 C ATOM 388 CG PHE A 25 -1.755 2.895 5.123 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.669 2.594 4.142 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.137 3.756 6.139 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.938 3.145 4.155 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.402 4.304 6.168 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.304 4.001 5.170 1.00 10.00 C ATOM 0 H PHE A 25 0.057 0.804 3.177 1.00 10.00 H new ATOM 0 HA PHE A 25 0.151 3.587 3.496 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.496 1.185 5.085 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.107 2.505 6.067 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.392 1.916 3.348 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.433 4.002 6.920 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.640 2.904 3.371 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.686 4.969 6.970 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.294 4.433 5.184 1.00 10.00 H new ATOM 403 N PRO A 26 2.104 4.166 5.173 1.00 10.00 N ATOM 404 CA PRO A 26 3.355 4.514 5.843 1.00 10.00 C ATOM 405 C PRO A 26 3.368 3.796 7.176 1.00 10.00 C ATOM 406 O PRO A 26 2.996 4.320 8.225 1.00 10.00 O ATOM 407 CB PRO A 26 3.197 6.017 6.081 1.00 10.00 C ATOM 408 CG PRO A 26 1.733 6.176 6.277 1.00 10.00 C ATOM 409 CD PRO A 26 1.121 5.270 5.254 1.00 10.00 C ATOM 0 HA PRO A 26 4.260 4.257 5.293 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.759 6.348 6.955 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.555 6.599 5.232 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.434 5.895 7.287 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.422 7.210 6.129 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.138 4.916 5.563 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.993 5.770 4.294 1.00 10.00 H new ATOM 417 N LEU A 27 3.855 2.566 7.089 1.00 10.00 N ATOM 418 CA LEU A 27 3.857 1.651 8.205 1.00 10.00 C ATOM 419 C LEU A 27 4.820 2.024 9.313 1.00 10.00 C ATOM 420 O LEU A 27 4.572 1.819 10.501 1.00 10.00 O ATOM 421 CB LEU A 27 4.083 0.233 7.711 1.00 10.00 C ATOM 422 CG LEU A 27 2.808 -0.427 7.183 1.00 10.00 C ATOM 423 CD1 LEU A 27 3.101 -1.802 6.609 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.774 -0.517 8.295 1.00 10.00 C ATOM 0 H LEU A 27 4.260 2.180 6.236 1.00 10.00 H new ATOM 0 HA LEU A 27 2.872 1.718 8.667 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.833 0.245 6.920 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.487 -0.369 8.525 1.00 10.00 H new ATOM 0 HG LEU A 27 2.408 0.188 6.377 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.177 -2.247 6.241 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.811 -1.709 5.787 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.526 -2.438 7.386 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.868 -0.988 7.913 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.174 -1.112 9.116 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.538 0.485 8.654 1.00 10.00 H new ATOM 436 N THR A 28 5.943 2.577 8.866 1.00 10.00 N ATOM 437 CA THR A 28 7.032 2.989 9.723 1.00 10.00 C ATOM 438 C THR A 28 6.897 4.474 10.084 1.00 10.00 C ATOM 439 O THR A 28 7.789 5.081 10.675 1.00 10.00 O ATOM 440 CB THR A 28 8.370 2.797 8.970 1.00 10.00 C ATOM 441 OG1 THR A 28 8.523 3.834 7.989 1.00 10.00 O ATOM 442 CG2 THR A 28 8.410 1.458 8.252 1.00 10.00 C ATOM 0 H THR A 28 6.118 2.752 7.876 1.00 10.00 H new ATOM 0 HA THR A 28 7.007 2.387 10.632 1.00 10.00 H new ATOM 0 HB THR A 28 9.174 2.835 9.705 1.00 10.00 H new ATOM 0 HG1 THR A 28 9.372 3.712 7.514 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.362 1.352 7.732 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.302 0.652 8.978 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.595 1.408 7.530 1.00 10.00 H new ATOM 450 N ARG A 29 5.737 5.034 9.732 1.00 10.00 N ATOM 451 CA ARG A 29 5.377 6.391 10.076 1.00 10.00 C ATOM 452 C ARG A 29 3.961 6.336 10.621 1.00 10.00 C ATOM 453 O ARG A 29 3.084 7.026 10.126 1.00 10.00 O ATOM 454 CB ARG A 29 5.429 7.295 8.831 1.00 10.00 C ATOM 455 CG ARG A 29 6.354 8.494 8.944 1.00 10.00 C ATOM 456 CD ARG A 29 5.912 9.438 10.042 1.00 10.00 C ATOM 457 NE ARG A 29 6.891 9.484 11.120 1.00 10.00 N ATOM 458 CZ ARG A 29 7.011 10.480 12.001 1.00 10.00 C ATOM 459 NH1 ARG A 29 6.197 11.528 11.954 1.00 10.00 N ATOM 460 NH2 ARG A 29 7.953 10.422 12.932 1.00 10.00 N ATOM 0 H ARG A 29 5.021 4.544 9.195 1.00 10.00 H new ATOM 0 HA ARG A 29 6.070 6.804 10.809 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.742 6.694 7.977 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.421 7.652 8.618 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.370 8.153 9.144 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.378 9.027 7.993 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.771 10.438 9.631 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.948 9.117 10.436 1.00 10.00 H new ATOM 0 HE ARG A 29 7.533 8.696 11.208 1.00 10.00 H new ATOM 0 HH11 ARG A 29 5.471 11.578 11.240 1.00 10.00 H new ATOM 0 HH12 ARG A 29 6.298 12.283 12.632 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.581 9.619 12.973 1.00 10.00 H new ATOM 0 HH22 ARG A 29 8.050 11.180 13.608 1.00 10.00 H new ATOM 474 N PRO A 30 3.736 5.509 11.661 1.00 10.00 N ATOM 475 CA PRO A 30 2.415 5.282 12.241 1.00 10.00 C ATOM 476 C PRO A 30 1.633 6.557 12.547 1.00 10.00 C ATOM 477 O PRO A 30 0.489 6.681 12.144 1.00 10.00 O ATOM 478 CB PRO A 30 2.692 4.542 13.543 1.00 10.00 C ATOM 479 CG PRO A 30 4.170 4.586 13.740 1.00 10.00 C ATOM 480 CD PRO A 30 4.760 4.743 12.385 1.00 10.00 C ATOM 0 HA PRO A 30 1.795 4.737 11.530 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.174 5.015 14.377 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.337 3.513 13.489 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.453 5.416 14.387 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.527 3.674 14.218 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.711 5.274 12.419 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.950 3.779 11.914 1.00 10.00 H new ATOM 488 N SER A 31 2.238 7.489 13.270 1.00 10.00 N ATOM 489 CA SER A 31 1.565 8.739 13.612 1.00 10.00 C ATOM 490 C SER A 31 1.039 9.398 12.348 1.00 10.00 C ATOM 491 O SER A 31 -0.120 9.805 12.268 1.00 10.00 O ATOM 492 CB SER A 31 2.537 9.673 14.335 1.00 10.00 C ATOM 493 OG SER A 31 3.452 8.928 15.129 1.00 10.00 O ATOM 0 H SER A 31 3.189 7.406 13.631 1.00 10.00 H new ATOM 0 HA SER A 31 0.726 8.528 14.276 1.00 10.00 H new ATOM 0 HB2 SER A 31 3.084 10.272 13.607 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.981 10.367 14.966 1.00 10.00 H new ATOM 0 HG SER A 31 4.067 9.542 15.582 1.00 10.00 H new ATOM 499 N LEU A 32 1.881 9.398 11.330 1.00 10.00 N ATOM 500 CA LEU A 32 1.542 9.985 10.052 1.00 10.00 C ATOM 501 C LEU A 32 0.501 9.088 9.385 1.00 10.00 C ATOM 502 O LEU A 32 -0.432 9.554 8.742 1.00 10.00 O ATOM 503 CB LEU A 32 2.841 10.164 9.250 1.00 10.00 C ATOM 504 CG LEU A 32 2.758 10.782 7.861 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.651 9.694 6.819 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.612 11.766 7.766 1.00 10.00 C ATOM 0 H LEU A 32 2.816 8.992 11.368 1.00 10.00 H new ATOM 0 HA LEU A 32 1.093 10.975 10.137 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.517 10.778 9.846 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.306 9.183 9.149 1.00 10.00 H new ATOM 0 HG LEU A 32 3.672 11.345 7.672 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.592 10.144 5.828 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.529 9.050 6.874 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.755 9.101 7.002 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.579 12.190 6.763 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.673 11.252 7.974 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.757 12.565 8.493 1.00 10.00 H new ATOM 518 N CYS A 33 0.631 7.791 9.634 1.00 10.00 N ATOM 519 CA CYS A 33 -0.270 6.801 9.074 1.00 10.00 C ATOM 520 C CYS A 33 -1.632 7.094 9.635 1.00 10.00 C ATOM 521 O CYS A 33 -2.641 6.998 8.938 1.00 10.00 O ATOM 522 CB CYS A 33 0.172 5.418 9.552 1.00 10.00 C ATOM 523 SG CYS A 33 -0.758 4.027 8.875 1.00 10.00 S ATOM 0 H CYS A 33 1.362 7.400 10.228 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.273 6.829 7.984 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.224 5.285 9.301 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.097 5.388 10.639 1.00 10.00 H new ATOM 0 HG CYS A 33 -0.940 4.206 7.600 1.00 10.00 H new ATOM 529 N LYS A 34 -1.663 7.492 10.887 1.00 10.00 N ATOM 530 CA LYS A 34 -2.880 7.741 11.589 1.00 10.00 C ATOM 531 C LYS A 34 -3.657 8.919 11.037 1.00 10.00 C ATOM 532 O LYS A 34 -4.883 8.949 11.155 1.00 10.00 O ATOM 533 CB LYS A 34 -2.498 7.933 13.048 1.00 10.00 C ATOM 534 CG LYS A 34 -3.430 8.816 13.846 1.00 10.00 C ATOM 535 CD LYS A 34 -2.625 9.797 14.675 1.00 10.00 C ATOM 536 CE LYS A 34 -3.228 9.984 16.058 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.339 8.695 16.793 1.00 10.00 N ATOM 0 H LYS A 34 -0.825 7.651 11.446 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.562 6.900 11.470 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.451 6.955 13.527 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.495 8.357 13.092 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.098 9.356 13.175 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.057 8.205 14.496 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.600 9.440 14.769 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.582 10.758 14.163 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.613 10.677 16.632 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.216 10.436 15.966 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.220 8.865 17.812 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -4.275 8.275 16.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.600 8.042 16.463 1.00 10.00 H new ATOM 551 N GLU A 35 -3.003 9.884 10.404 1.00 10.00 N ATOM 552 CA GLU A 35 -3.806 10.980 9.883 1.00 10.00 C ATOM 553 C GLU A 35 -4.522 10.518 8.655 1.00 10.00 C ATOM 554 O GLU A 35 -5.585 11.045 8.322 1.00 10.00 O ATOM 555 CB GLU A 35 -3.047 12.250 9.577 1.00 10.00 C ATOM 556 CG GLU A 35 -1.567 12.075 9.348 1.00 10.00 C ATOM 557 CD GLU A 35 -0.785 13.331 9.672 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.220 14.428 9.266 1.00 10.00 O ATOM 559 OE2 GLU A 35 0.250 13.233 10.357 1.00 10.00 O ATOM 0 H GLU A 35 -1.997 9.935 10.246 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.497 11.246 10.683 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.483 12.710 8.691 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.191 12.948 10.402 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.201 11.253 9.963 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.392 11.798 8.308 1.00 10.00 H new ATOM 566 N TRP A 36 -3.965 9.499 7.996 1.00 10.00 N ATOM 567 CA TRP A 36 -4.597 8.955 6.814 1.00 10.00 C ATOM 568 C TRP A 36 -5.971 8.514 7.256 1.00 10.00 C ATOM 569 O TRP A 36 -6.926 8.619 6.489 1.00 10.00 O ATOM 570 CB TRP A 36 -3.810 7.770 6.217 1.00 10.00 C ATOM 571 CG TRP A 36 -2.458 8.134 5.660 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.587 9.068 6.153 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.817 7.567 4.498 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.468 9.141 5.356 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.580 8.226 4.347 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.167 6.574 3.561 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.300 7.935 3.309 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.286 6.289 2.532 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.067 6.968 2.414 1.00 10.00 C ATOM 0 H TRP A 36 -3.091 9.046 8.263 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.637 9.704 6.023 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.679 7.012 6.989 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.406 7.317 5.424 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.754 9.662 7.040 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.318 9.776 5.496 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.105 6.045 3.644 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.241 8.455 3.213 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.543 5.530 1.808 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.598 6.723 1.599 1.00 10.00 H new ATOM 590 N GLU A 37 -6.097 8.133 8.535 1.00 10.00 N ATOM 591 CA GLU A 37 -7.361 7.681 9.044 1.00 10.00 C ATOM 592 C GLU A 37 -8.417 8.754 8.820 1.00 10.00 C ATOM 593 O GLU A 37 -9.516 8.530 8.309 1.00 10.00 O ATOM 594 CB GLU A 37 -7.283 7.280 10.522 1.00 10.00 C ATOM 595 CG GLU A 37 -6.296 6.156 10.816 1.00 10.00 C ATOM 596 CD GLU A 37 -6.779 4.790 10.369 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.935 4.436 10.674 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.990 4.044 9.748 1.00 10.00 O ATOM 0 H GLU A 37 -5.337 8.135 9.215 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.643 6.782 8.496 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.005 8.155 11.110 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.274 6.974 10.856 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.350 6.377 10.322 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.098 6.129 11.887 1.00 10.00 H new ATOM 605 N ALA A 38 -7.970 9.966 9.228 1.00 10.00 N ATOM 606 CA ALA A 38 -8.721 11.214 9.162 1.00 10.00 C ATOM 607 C ALA A 38 -9.197 11.542 7.760 1.00 10.00 C ATOM 608 O ALA A 38 -10.265 12.132 7.585 1.00 10.00 O ATOM 609 CB ALA A 38 -7.855 12.354 9.690 1.00 10.00 C ATOM 0 H ALA A 38 -7.039 10.091 9.625 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.611 11.090 9.779 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.414 13.288 9.642 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.577 12.151 10.724 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.954 12.438 9.082 1.00 10.00 H new ATOM 615 N ALA A 39 -8.436 11.161 6.767 1.00 10.00 N ATOM 616 CA ALA A 39 -8.810 11.461 5.402 1.00 10.00 C ATOM 617 C ALA A 39 -9.726 10.378 4.847 1.00 10.00 C ATOM 618 O ALA A 39 -10.406 10.583 3.837 1.00 10.00 O ATOM 619 CB ALA A 39 -7.563 11.616 4.546 1.00 10.00 C ATOM 0 H ALA A 39 -7.561 10.647 6.872 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.360 12.402 5.383 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.852 11.842 3.520 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -6.951 12.429 4.938 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -6.990 10.689 4.566 1.00 10.00 H new ATOM 625 N VAL A 40 -9.768 9.245 5.534 1.00 10.00 N ATOM 626 CA VAL A 40 -10.685 8.168 5.200 1.00 10.00 C ATOM 627 C VAL A 40 -11.958 8.341 6.046 1.00 10.00 C ATOM 628 O VAL A 40 -12.519 7.387 6.579 1.00 10.00 O ATOM 629 CB VAL A 40 -10.074 6.783 5.447 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.919 5.716 4.777 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.635 6.719 4.949 1.00 10.00 C ATOM 0 H VAL A 40 -9.169 9.048 6.336 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.913 8.224 4.136 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.061 6.601 6.522 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.478 4.736 4.958 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.929 5.741 5.187 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.959 5.904 3.704 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.229 5.725 5.138 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.611 6.924 3.879 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.035 7.462 5.474 1.00 10.00 H new ATOM 641 N ARG A 41 -12.345 9.602 6.193 1.00 10.00 N ATOM 642 CA ARG A 41 -13.494 10.053 7.005 1.00 10.00 C ATOM 643 C ARG A 41 -14.850 9.405 6.676 1.00 10.00 C ATOM 644 O ARG A 41 -15.888 9.904 7.111 1.00 10.00 O ATOM 645 CB ARG A 41 -13.624 11.582 6.898 1.00 10.00 C ATOM 646 CG ARG A 41 -14.278 12.081 5.609 1.00 10.00 C ATOM 647 CD ARG A 41 -13.339 11.991 4.413 1.00 10.00 C ATOM 648 NE ARG A 41 -13.738 12.888 3.332 1.00 10.00 N ATOM 649 CZ ARG A 41 -12.923 13.293 2.358 1.00 10.00 C ATOM 650 NH1 ARG A 41 -11.675 12.833 2.291 1.00 10.00 N ATOM 651 NH2 ARG A 41 -13.364 14.150 1.443 1.00 10.00 N ATOM 0 H ARG A 41 -11.858 10.374 5.739 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.265 9.727 8.020 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.204 11.944 7.747 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.631 12.024 6.980 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.175 11.495 5.409 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.596 13.115 5.742 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.325 12.235 4.730 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.320 10.966 4.044 1.00 10.00 H new ATOM 0 HE ARG A 41 -14.700 13.226 3.322 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.339 12.168 2.987 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.055 13.146 1.544 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -14.323 14.495 1.488 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.744 14.463 0.696 1.00 10.00 H new ATOM 665 N ARG A 42 -14.873 8.325 5.927 1.00 10.00 N ATOM 666 CA ARG A 42 -16.137 7.702 5.594 1.00 10.00 C ATOM 667 C ARG A 42 -16.441 6.529 6.520 1.00 10.00 C ATOM 668 O ARG A 42 -15.536 5.940 7.112 1.00 10.00 O ATOM 669 CB ARG A 42 -16.160 7.259 4.133 1.00 10.00 C ATOM 670 CG ARG A 42 -17.425 7.682 3.406 1.00 10.00 C ATOM 671 CD ARG A 42 -17.592 9.196 3.395 1.00 10.00 C ATOM 672 NE ARG A 42 -18.947 9.596 3.018 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.665 10.520 3.663 1.00 10.00 C ATOM 674 NH1 ARG A 42 -19.181 11.125 4.739 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.878 10.835 3.234 1.00 10.00 N ATOM 0 H ARG A 42 -14.048 7.866 5.542 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.918 8.448 5.736 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.295 7.677 3.618 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -16.066 6.174 4.086 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.396 7.312 2.381 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.290 7.224 3.886 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.359 9.593 4.383 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -16.878 9.634 2.698 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.372 9.140 2.210 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.251 10.887 5.083 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.739 11.829 5.223 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.264 10.372 2.411 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.426 11.540 3.727 1.00 10.00 H new ATOM 689 N LYS A 43 -17.729 6.216 6.659 1.00 10.00 N ATOM 690 CA LYS A 43 -18.178 5.113 7.503 1.00 10.00 C ATOM 691 C LYS A 43 -17.648 3.787 6.974 1.00 10.00 C ATOM 692 O LYS A 43 -17.196 2.935 7.740 1.00 10.00 O ATOM 693 CB LYS A 43 -19.713 5.099 7.573 1.00 10.00 C ATOM 694 CG LYS A 43 -20.339 3.715 7.472 1.00 10.00 C ATOM 695 CD LYS A 43 -21.852 3.803 7.395 1.00 10.00 C ATOM 696 CE LYS A 43 -22.523 2.566 7.973 1.00 10.00 C ATOM 697 NZ LYS A 43 -22.102 1.314 7.293 1.00 10.00 N ATOM 0 H LYS A 43 -18.485 6.717 6.192 1.00 10.00 H new ATOM 0 HA LYS A 43 -17.785 5.255 8.510 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.025 5.557 8.512 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.106 5.721 6.769 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.956 3.203 6.589 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.050 3.118 8.337 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.192 4.686 7.935 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.156 3.929 6.356 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.289 2.494 9.035 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -23.605 2.673 7.891 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -22.651 0.514 7.668 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -22.271 1.401 6.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -21.089 1.150 7.464 1.00 10.00 H new ATOM 711 N ASN A 44 -17.692 3.633 5.660 1.00 10.00 N ATOM 712 CA ASN A 44 -17.220 2.421 5.017 1.00 10.00 C ATOM 713 C ASN A 44 -15.710 2.482 4.809 1.00 10.00 C ATOM 714 O ASN A 44 -15.223 2.488 3.674 1.00 10.00 O ATOM 715 CB ASN A 44 -17.943 2.169 3.680 1.00 10.00 C ATOM 716 CG ASN A 44 -18.353 3.439 2.945 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.697 4.476 3.037 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.444 3.358 2.197 1.00 10.00 N ATOM 0 H ASN A 44 -18.052 4.338 5.017 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.450 1.584 5.677 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.292 1.581 3.033 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.832 1.568 3.868 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.765 4.172 1.673 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.963 2.481 2.145 1.00 10.00 H new ATOM 725 N PHE A 45 -14.985 2.560 5.920 1.00 10.00 N ATOM 726 CA PHE A 45 -13.533 2.606 5.894 1.00 10.00 C ATOM 727 C PHE A 45 -12.992 1.320 5.271 1.00 10.00 C ATOM 728 O PHE A 45 -13.331 0.215 5.695 1.00 10.00 O ATOM 729 CB PHE A 45 -12.979 2.816 7.324 1.00 10.00 C ATOM 730 CG PHE A 45 -11.494 3.129 7.409 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.558 2.228 6.941 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.033 4.316 7.971 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.208 2.486 7.013 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.678 4.583 8.047 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.764 3.666 7.566 1.00 10.00 C ATOM 0 H PHE A 45 -15.387 2.593 6.857 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.205 3.448 5.284 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.532 3.630 7.794 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.177 1.917 7.908 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.894 1.298 6.508 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.741 5.037 8.352 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.498 1.764 6.636 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.334 5.509 8.483 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.706 3.874 7.623 1.00 10.00 H new ATOM 745 N LYS A 46 -12.186 1.504 4.241 1.00 10.00 N ATOM 746 CA LYS A 46 -11.536 0.421 3.500 1.00 10.00 C ATOM 747 C LYS A 46 -10.548 -0.354 4.403 1.00 10.00 C ATOM 748 O LYS A 46 -10.582 -0.184 5.612 1.00 10.00 O ATOM 749 CB LYS A 46 -10.835 1.049 2.297 1.00 10.00 C ATOM 750 CG LYS A 46 -11.366 0.561 0.959 1.00 10.00 C ATOM 751 CD LYS A 46 -11.948 1.692 0.123 1.00 10.00 C ATOM 752 CE LYS A 46 -13.352 2.051 0.578 1.00 10.00 C ATOM 753 NZ LYS A 46 -14.260 0.873 0.541 1.00 10.00 N ATOM 0 H LYS A 46 -11.955 2.431 3.882 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.271 -0.309 3.160 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.944 2.132 2.348 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.768 0.833 2.355 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.561 0.079 0.405 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.133 -0.195 1.128 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.305 2.569 0.196 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.968 1.398 -0.926 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.315 2.451 1.591 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.751 2.839 -0.061 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -15.153 1.137 0.078 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.808 0.103 0.007 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.454 0.554 1.512 1.00 10.00 H new ATOM 767 N PRO A 47 -9.724 -1.289 3.857 1.00 10.00 N ATOM 768 CA PRO A 47 -8.729 -2.037 4.644 1.00 10.00 C ATOM 769 C PRO A 47 -7.917 -1.135 5.581 1.00 10.00 C ATOM 770 O PRO A 47 -8.004 0.092 5.560 1.00 10.00 O ATOM 771 CB PRO A 47 -7.877 -2.715 3.583 1.00 10.00 C ATOM 772 CG PRO A 47 -8.810 -2.917 2.445 1.00 10.00 C ATOM 773 CD PRO A 47 -9.703 -1.704 2.448 1.00 10.00 C ATOM 0 HA PRO A 47 -9.185 -2.753 5.328 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.028 -2.094 3.297 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.474 -3.662 3.941 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.269 -3.006 1.503 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.389 -3.833 2.568 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.310 -0.916 1.805 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.703 -1.942 2.086 1.00 10.00 H new ATOM 781 N THR A 48 -7.036 -1.784 6.325 1.00 10.00 N ATOM 782 CA THR A 48 -6.078 -1.112 7.179 1.00 10.00 C ATOM 783 C THR A 48 -4.986 -0.687 6.235 1.00 10.00 C ATOM 784 O THR A 48 -5.166 -0.507 5.039 1.00 10.00 O ATOM 785 CB THR A 48 -5.571 -2.060 8.253 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.759 -3.110 7.685 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.766 -2.667 8.908 1.00 10.00 C ATOM 0 H THR A 48 -6.968 -2.801 6.351 1.00 10.00 H new ATOM 0 HA THR A 48 -6.498 -0.262 7.717 1.00 10.00 H new ATOM 0 HB THR A 48 -4.955 -1.511 8.965 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.445 -3.704 8.399 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.443 -3.356 9.688 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.378 -1.880 9.350 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.352 -3.208 8.165 1.00 10.00 H new ATOM 795 N LYS A 49 -3.817 -0.580 6.838 1.00 10.00 N ATOM 796 CA LYS A 49 -2.626 -0.085 6.188 1.00 10.00 C ATOM 797 C LYS A 49 -1.780 -1.184 5.524 1.00 10.00 C ATOM 798 O LYS A 49 -0.772 -0.881 4.890 1.00 10.00 O ATOM 799 CB LYS A 49 -1.780 0.633 7.250 1.00 10.00 C ATOM 800 CG LYS A 49 -1.803 0.005 8.635 1.00 10.00 C ATOM 801 CD LYS A 49 -2.277 1.003 9.679 1.00 10.00 C ATOM 802 CE LYS A 49 -3.784 1.197 9.632 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.243 2.248 10.579 1.00 10.00 N ATOM 0 H LYS A 49 -3.670 -0.841 7.813 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.939 0.583 5.385 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.747 0.670 6.903 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.126 1.663 7.331 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.461 -0.864 8.633 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.806 -0.351 8.893 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -1.986 0.657 10.671 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.782 1.961 9.517 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.083 1.467 8.619 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.278 0.255 9.870 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.958 1.849 11.220 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.434 2.592 11.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.658 3.038 10.046 1.00 10.00 H new ATOM 817 N TYR A 50 -2.152 -2.456 5.685 1.00 10.00 N ATOM 818 CA TYR A 50 -1.434 -3.507 4.987 1.00 10.00 C ATOM 819 C TYR A 50 -1.948 -3.481 3.568 1.00 10.00 C ATOM 820 O TYR A 50 -1.215 -3.911 2.683 1.00 10.00 O ATOM 821 CB TYR A 50 -1.716 -4.848 5.627 1.00 10.00 C ATOM 822 CG TYR A 50 -1.037 -5.067 6.955 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.319 -5.343 7.024 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.769 -5.060 8.132 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.928 -5.623 8.225 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.164 -5.318 9.345 1.00 10.00 C ATOM 827 CZ TYR A 50 0.186 -5.606 9.384 1.00 10.00 C ATOM 828 OH TYR A 50 0.787 -5.941 10.573 1.00 10.00 O ATOM 0 H TYR A 50 -2.923 -2.770 6.275 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.356 -3.353 5.025 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.793 -4.951 5.763 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.405 -5.636 4.941 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.908 -5.338 6.119 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -2.828 -4.850 8.099 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.982 -5.855 8.258 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -1.742 -5.295 10.257 1.00 10.00 H new ATOM 0 HH TYR A 50 0.132 -5.880 11.299 1.00 10.00 H new ATOM 838 N SER A 51 -3.164 -3.056 3.292 1.00 10.00 N ATOM 839 CA SER A 51 -3.536 -2.923 1.886 1.00 10.00 C ATOM 840 C SER A 51 -2.651 -1.839 1.271 1.00 10.00 C ATOM 841 O SER A 51 -1.897 -1.142 1.953 1.00 10.00 O ATOM 842 CB SER A 51 -5.010 -2.603 1.739 1.00 10.00 C ATOM 843 OG SER A 51 -5.404 -1.667 2.704 1.00 10.00 O ATOM 0 H SER A 51 -3.881 -2.807 3.974 1.00 10.00 H new ATOM 0 HA SER A 51 -3.378 -3.865 1.360 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.206 -2.211 0.741 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.599 -3.514 1.845 1.00 10.00 H new ATOM 0 HG SER A 51 -5.746 -0.863 2.260 1.00 10.00 H new ATOM 849 N SER A 52 -2.787 -1.687 -0.035 1.00 10.00 N ATOM 850 CA SER A 52 -2.010 -0.736 -0.789 1.00 10.00 C ATOM 851 C SER A 52 -2.905 0.435 -1.261 1.00 10.00 C ATOM 852 O SER A 52 -4.131 0.349 -1.218 1.00 10.00 O ATOM 853 CB SER A 52 -1.338 -1.484 -1.954 1.00 10.00 C ATOM 854 OG SER A 52 -2.033 -2.711 -2.256 1.00 10.00 O ATOM 0 H SER A 52 -3.444 -2.226 -0.599 1.00 10.00 H new ATOM 0 HA SER A 52 -1.230 -0.290 -0.172 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.321 -0.846 -2.838 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.301 -1.704 -1.699 1.00 10.00 H new ATOM 0 HG SER A 52 -1.586 -3.165 -3.001 1.00 10.00 H new ATOM 860 N ILE A 53 -2.264 1.535 -1.701 1.00 10.00 N ATOM 861 CA ILE A 53 -2.961 2.769 -2.113 1.00 10.00 C ATOM 862 C ILE A 53 -2.356 3.260 -3.448 1.00 10.00 C ATOM 863 O ILE A 53 -1.247 2.869 -3.771 1.00 10.00 O ATOM 864 CB ILE A 53 -2.839 3.883 -1.008 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.572 3.494 0.290 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.395 5.208 -1.500 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.857 2.460 1.127 1.00 10.00 C ATOM 0 H ILE A 53 -1.249 1.593 -1.781 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.022 2.556 -2.246 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.775 3.985 -0.796 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.720 4.391 0.892 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.561 3.115 0.034 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.297 5.958 -0.715 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.840 5.531 -2.381 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.447 5.088 -1.757 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.444 2.246 2.021 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.733 1.545 0.547 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.878 2.841 1.418 1.00 10.00 H new ATOM 879 N CYS A 54 -3.057 4.092 -4.236 1.00 10.00 N ATOM 880 CA CYS A 54 -2.501 4.577 -5.497 1.00 10.00 C ATOM 881 C CYS A 54 -2.086 6.066 -5.410 1.00 10.00 C ATOM 882 O CYS A 54 -2.545 6.815 -4.547 1.00 10.00 O ATOM 883 CB CYS A 54 -3.496 4.303 -6.628 1.00 10.00 C ATOM 884 SG CYS A 54 -4.940 5.368 -6.615 1.00 10.00 S ATOM 0 H CYS A 54 -3.994 4.435 -4.022 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.582 4.033 -5.715 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.983 4.417 -7.583 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.824 3.265 -6.564 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.901 4.788 -5.958 1.00 10.00 H new ATOM 889 N SER A 55 -1.206 6.447 -6.338 1.00 10.00 N ATOM 890 CA SER A 55 -0.518 7.758 -6.394 1.00 10.00 C ATOM 891 C SER A 55 -1.362 9.038 -6.398 1.00 10.00 C ATOM 892 O SER A 55 -1.023 9.995 -5.706 1.00 10.00 O ATOM 893 CB SER A 55 0.391 7.748 -7.618 1.00 10.00 C ATOM 894 OG SER A 55 -0.274 7.186 -8.729 1.00 10.00 O ATOM 0 H SER A 55 -0.936 5.833 -7.106 1.00 10.00 H new ATOM 0 HA SER A 55 0.003 7.828 -5.439 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.705 8.765 -7.852 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.294 7.177 -7.402 1.00 10.00 H new ATOM 0 HG SER A 55 -0.464 7.888 -9.386 1.00 10.00 H new ATOM 900 N GLU A 56 -2.456 9.051 -7.123 1.00 10.00 N ATOM 901 CA GLU A 56 -3.296 10.242 -7.277 1.00 10.00 C ATOM 902 C GLU A 56 -3.792 10.850 -5.961 1.00 10.00 C ATOM 903 O GLU A 56 -4.280 11.979 -5.931 1.00 10.00 O ATOM 904 CB GLU A 56 -4.500 9.846 -8.118 1.00 10.00 C ATOM 905 CG GLU A 56 -4.868 8.388 -7.912 1.00 10.00 C ATOM 906 CD GLU A 56 -6.349 8.152 -7.801 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.121 8.776 -8.543 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.739 7.313 -6.953 1.00 10.00 O ATOM 0 H GLU A 56 -2.801 8.236 -7.631 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.680 11.010 -7.744 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.350 10.477 -7.858 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.283 10.022 -9.172 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.476 7.802 -8.743 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.381 8.023 -7.007 1.00 10.00 H new ATOM 915 N HIS A 57 -3.667 10.093 -4.887 1.00 10.00 N ATOM 916 CA HIS A 57 -4.142 10.522 -3.573 1.00 10.00 C ATOM 917 C HIS A 57 -3.140 11.372 -2.782 1.00 10.00 C ATOM 918 O HIS A 57 -3.537 12.052 -1.831 1.00 10.00 O ATOM 919 CB HIS A 57 -4.527 9.294 -2.759 1.00 10.00 C ATOM 920 CG HIS A 57 -5.660 8.525 -3.358 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.915 9.052 -3.587 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.702 7.244 -3.798 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.665 8.093 -4.145 1.00 10.00 C ATOM 924 NE2 HIS A 57 -6.971 6.972 -4.298 1.00 10.00 N ATOM 0 H HIS A 57 -3.237 9.168 -4.894 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.001 11.168 -3.752 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.660 8.640 -2.667 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.800 9.605 -1.750 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.880 6.545 -3.766 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.699 8.216 -4.433 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.300 6.094 -4.699 1.00 10.00 H new ATOM 932 N PHE A 58 -1.866 11.363 -3.155 1.00 10.00 N ATOM 933 CA PHE A 58 -0.863 12.147 -2.418 1.00 10.00 C ATOM 934 C PHE A 58 0.108 12.810 -3.362 1.00 10.00 C ATOM 935 O PHE A 58 0.491 12.232 -4.378 1.00 10.00 O ATOM 936 CB PHE A 58 -0.073 11.309 -1.410 1.00 10.00 C ATOM 937 CG PHE A 58 -0.204 9.843 -1.593 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.353 9.247 -2.692 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.865 9.065 -0.667 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.262 7.896 -2.879 1.00 10.00 C ATOM 941 CE2 PHE A 58 -0.967 7.703 -0.841 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.401 7.114 -1.951 1.00 10.00 C ATOM 0 H PHE A 58 -1.500 10.835 -3.947 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.426 12.901 -1.867 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.981 11.578 -1.479 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.403 11.568 -0.404 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.871 9.852 -3.421 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.307 9.528 0.203 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.707 7.440 -3.751 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.488 7.100 -0.112 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.475 6.046 -2.095 1.00 10.00 H new ATOM 952 N THR A 59 0.431 14.056 -3.034 1.00 10.00 N ATOM 953 CA THR A 59 1.344 14.850 -3.804 1.00 10.00 C ATOM 954 C THR A 59 2.533 14.048 -4.228 1.00 10.00 C ATOM 955 O THR A 59 3.034 13.226 -3.474 1.00 10.00 O ATOM 956 CB THR A 59 1.771 16.100 -3.032 1.00 10.00 C ATOM 957 OG1 THR A 59 1.878 15.808 -1.631 1.00 10.00 O ATOM 958 CG2 THR A 59 0.749 17.197 -3.253 1.00 10.00 C ATOM 0 H THR A 59 0.056 14.536 -2.216 1.00 10.00 H new ATOM 0 HA THR A 59 0.824 15.174 -4.705 1.00 10.00 H new ATOM 0 HB THR A 59 2.745 16.429 -3.393 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.153 16.615 -1.149 1.00 10.00 H new ATOM 0 HG21 THR A 59 1.049 18.090 -2.705 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.687 17.428 -4.316 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.226 16.863 -2.897 1.00 10.00 H new ATOM 966 N PRO A 60 2.958 14.240 -5.469 1.00 10.00 N ATOM 967 CA PRO A 60 4.095 13.539 -6.031 1.00 10.00 C ATOM 968 C PRO A 60 5.307 13.581 -5.131 1.00 10.00 C ATOM 969 O PRO A 60 6.092 12.638 -5.048 1.00 10.00 O ATOM 970 CB PRO A 60 4.390 14.316 -7.326 1.00 10.00 C ATOM 971 CG PRO A 60 3.542 15.542 -7.260 1.00 10.00 C ATOM 972 CD PRO A 60 2.355 15.149 -6.453 1.00 10.00 C ATOM 0 HA PRO A 60 3.877 12.481 -6.179 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.447 14.574 -7.397 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.148 13.719 -8.205 1.00 10.00 H new ATOM 0 HG2 PRO A 60 4.079 16.368 -6.795 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.249 15.873 -8.256 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.878 16.007 -5.980 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.594 14.654 -7.057 1.00 10.00 H new ATOM 980 N ASP A 61 5.373 14.671 -4.383 1.00 10.00 N ATOM 981 CA ASP A 61 6.396 14.855 -3.378 1.00 10.00 C ATOM 982 C ASP A 61 6.254 13.724 -2.373 1.00 10.00 C ATOM 983 O ASP A 61 7.222 13.029 -2.065 1.00 10.00 O ATOM 984 CB ASP A 61 6.232 16.189 -2.648 1.00 10.00 C ATOM 985 CG ASP A 61 5.779 17.314 -3.550 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.644 17.245 -4.071 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.548 18.277 -3.737 1.00 10.00 O ATOM 0 H ASP A 61 4.718 15.449 -4.459 1.00 10.00 H new ATOM 0 HA ASP A 61 7.375 14.854 -3.856 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.510 16.067 -1.841 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.181 16.462 -2.187 1.00 10.00 H new ATOM 992 N SER A 62 5.023 13.528 -1.879 1.00 10.00 N ATOM 993 CA SER A 62 4.757 12.564 -0.826 1.00 10.00 C ATOM 994 C SER A 62 4.411 11.184 -1.335 1.00 10.00 C ATOM 995 O SER A 62 4.018 10.315 -0.575 1.00 10.00 O ATOM 996 CB SER A 62 3.582 13.054 0.018 1.00 10.00 C ATOM 997 OG SER A 62 3.858 12.895 1.401 1.00 10.00 O ATOM 0 H SER A 62 4.197 14.033 -2.201 1.00 10.00 H new ATOM 0 HA SER A 62 5.679 12.483 -0.250 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.384 14.103 -0.200 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.682 12.498 -0.245 1.00 10.00 H new ATOM 0 HG SER A 62 3.050 12.588 1.863 1.00 10.00 H new ATOM 1003 N PHE A 63 4.555 11.020 -2.637 1.00 10.00 N ATOM 1004 CA PHE A 63 4.275 9.756 -3.310 1.00 10.00 C ATOM 1005 C PHE A 63 4.776 8.529 -2.530 1.00 10.00 C ATOM 1006 O PHE A 63 3.987 7.631 -2.218 1.00 10.00 O ATOM 1007 CB PHE A 63 4.917 9.730 -4.699 1.00 10.00 C ATOM 1008 CG PHE A 63 4.020 10.123 -5.842 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.646 10.119 -5.708 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.564 10.485 -7.065 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.830 10.468 -6.753 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.751 10.836 -8.126 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.379 10.828 -7.970 1.00 10.00 C ATOM 0 H PHE A 63 4.871 11.760 -3.264 1.00 10.00 H new ATOM 0 HA PHE A 63 3.189 9.696 -3.381 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.779 10.397 -4.693 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.293 8.724 -4.886 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.206 9.836 -4.763 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.637 10.493 -7.190 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.758 10.462 -6.626 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.187 11.116 -9.074 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.738 11.102 -8.795 1.00 10.00 H new ATOM 1023 N LYS A 64 6.082 8.491 -2.216 1.00 10.00 N ATOM 1024 CA LYS A 64 6.668 7.336 -1.510 1.00 10.00 C ATOM 1025 C LYS A 64 8.140 7.560 -1.169 1.00 10.00 C ATOM 1026 O LYS A 64 8.530 8.660 -0.803 1.00 10.00 O ATOM 1027 CB LYS A 64 6.512 6.072 -2.357 1.00 10.00 C ATOM 1028 CG LYS A 64 6.856 6.270 -3.828 1.00 10.00 C ATOM 1029 CD LYS A 64 7.000 4.949 -4.566 1.00 10.00 C ATOM 1030 CE LYS A 64 6.790 5.129 -6.061 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.802 4.391 -6.861 1.00 10.00 N ATOM 0 H LYS A 64 6.745 9.235 -2.435 1.00 10.00 H new ATOM 0 HA LYS A 64 6.129 7.216 -0.570 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.151 5.290 -1.946 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.484 5.718 -2.279 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.079 6.868 -4.304 1.00 10.00 H new ATOM 0 HG3 LYS A 64 7.786 6.833 -3.910 1.00 10.00 H new ATOM 0 HD2 LYS A 64 7.991 4.533 -4.383 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.276 4.232 -4.178 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.792 4.782 -6.331 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.837 6.190 -6.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.413 4.179 -7.802 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.657 4.975 -6.963 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 8.045 3.502 -6.378 1.00 10.00 H new ATOM 1045 N ARG A 65 8.953 6.508 -1.323 1.00 10.00 N ATOM 1046 CA ARG A 65 10.387 6.553 -1.012 1.00 10.00 C ATOM 1047 C ARG A 65 11.132 7.580 -1.858 1.00 10.00 C ATOM 1048 O ARG A 65 12.278 7.919 -1.568 1.00 10.00 O ATOM 1049 CB ARG A 65 11.020 5.167 -1.185 1.00 10.00 C ATOM 1050 CG ARG A 65 10.577 4.424 -2.433 1.00 10.00 C ATOM 1051 CD ARG A 65 10.814 2.932 -2.290 1.00 10.00 C ATOM 1052 NE ARG A 65 12.214 2.568 -2.514 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.796 1.459 -2.044 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.116 0.616 -1.268 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.066 1.206 -2.349 1.00 10.00 N ATOM 0 H ARG A 65 8.635 5.602 -1.667 1.00 10.00 H new ATOM 0 HA ARG A 65 10.476 6.862 0.029 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.104 5.277 -1.209 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.780 4.560 -0.312 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.519 4.612 -2.616 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.122 4.801 -3.298 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.513 2.613 -1.292 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.184 2.397 -3.000 1.00 10.00 H new ATOM 0 HE ARG A 65 12.786 3.205 -3.068 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.145 0.814 -1.028 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.567 -0.228 -0.914 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.588 1.855 -2.937 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.517 0.363 -1.995 1.00 10.00 H new ATOM 1069 N GLU A 66 10.476 8.078 -2.897 1.00 10.00 N ATOM 1070 CA GLU A 66 11.068 9.082 -3.766 1.00 10.00 C ATOM 1071 C GLU A 66 10.901 10.467 -3.141 1.00 10.00 C ATOM 1072 O GLU A 66 11.210 11.485 -3.762 1.00 10.00 O ATOM 1073 CB GLU A 66 10.459 9.022 -5.180 1.00 10.00 C ATOM 1074 CG GLU A 66 11.086 7.944 -6.051 1.00 10.00 C ATOM 1075 CD GLU A 66 10.057 7.090 -6.757 1.00 10.00 C ATOM 1076 OE1 GLU A 66 9.413 7.584 -7.707 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.890 5.918 -6.362 1.00 10.00 O ATOM 0 H GLU A 66 9.530 7.801 -3.158 1.00 10.00 H new ATOM 0 HA GLU A 66 12.133 8.876 -3.870 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.387 8.840 -5.101 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.583 9.991 -5.664 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.733 8.413 -6.792 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.719 7.307 -5.433 1.00 10.00 H new ATOM 1084 N SER A 67 10.387 10.490 -1.912 1.00 10.00 N ATOM 1085 CA SER A 67 10.168 11.725 -1.182 1.00 10.00 C ATOM 1086 C SER A 67 11.508 12.382 -0.773 1.00 10.00 C ATOM 1087 O SER A 67 12.218 12.940 -1.613 1.00 10.00 O ATOM 1088 CB SER A 67 9.245 11.418 0.024 1.00 10.00 C ATOM 1089 OG SER A 67 9.473 12.241 1.152 1.00 10.00 O ATOM 0 H SER A 67 10.113 9.651 -1.400 1.00 10.00 H new ATOM 0 HA SER A 67 9.673 12.460 -1.817 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.207 11.529 -0.289 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.380 10.376 0.315 1.00 10.00 H new ATOM 0 HG SER A 67 9.635 11.680 1.939 1.00 10.00 H new ATOM 1095 N ASN A 68 11.850 12.309 0.500 1.00 10.00 N ATOM 1096 CA ASN A 68 13.071 12.916 1.012 1.00 10.00 C ATOM 1097 C ASN A 68 14.174 11.897 1.231 1.00 10.00 C ATOM 1098 O ASN A 68 15.235 11.969 0.611 1.00 10.00 O ATOM 1099 CB ASN A 68 12.788 13.624 2.334 1.00 10.00 C ATOM 1100 CG ASN A 68 13.333 15.041 2.378 1.00 10.00 C ATOM 1101 OD1 ASN A 68 12.697 15.943 2.919 1.00 10.00 O ATOM 1102 ND2 ASN A 68 14.520 15.248 1.828 1.00 10.00 N ATOM 0 H ASN A 68 11.294 11.830 1.208 1.00 10.00 H new ATOM 0 HA ASN A 68 13.410 13.628 0.260 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.711 13.649 2.503 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.225 13.047 3.149 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.934 16.180 1.845 1.00 10.00 H new ATOM 0 HD22 ASN A 68 15.020 14.476 1.387 1.00 10.00 H new ATOM 1109 N ASN A 69 13.919 10.957 2.130 1.00 10.00 N ATOM 1110 CA ASN A 69 14.910 9.942 2.471 1.00 10.00 C ATOM 1111 C ASN A 69 14.541 8.561 1.929 1.00 10.00 C ATOM 1112 O ASN A 69 15.186 8.068 1.004 1.00 10.00 O ATOM 1113 CB ASN A 69 15.097 9.882 3.992 1.00 10.00 C ATOM 1114 CG ASN A 69 15.926 8.690 4.439 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.953 8.368 3.841 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.479 8.029 5.493 1.00 10.00 N ATOM 0 H ASN A 69 13.037 10.875 2.636 1.00 10.00 H new ATOM 0 HA ASN A 69 15.848 10.232 1.997 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.578 10.800 4.330 1.00 10.00 H new ATOM 0 HB3 ASN A 69 14.119 9.839 4.472 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.990 7.218 5.841 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.623 8.330 5.959 1.00 10.00 H new ATOM 1123 N LYS A 70 13.518 7.930 2.502 1.00 10.00 N ATOM 1124 CA LYS A 70 13.129 6.592 2.061 1.00 10.00 C ATOM 1125 C LYS A 70 11.623 6.355 2.159 1.00 10.00 C ATOM 1126 O LYS A 70 11.142 5.270 1.844 1.00 10.00 O ATOM 1127 CB LYS A 70 13.885 5.540 2.879 1.00 10.00 C ATOM 1128 CG LYS A 70 14.337 4.330 2.069 1.00 10.00 C ATOM 1129 CD LYS A 70 15.351 4.710 0.991 1.00 10.00 C ATOM 1130 CE LYS A 70 16.719 5.035 1.582 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.451 6.045 0.769 1.00 10.00 N ATOM 0 H LYS A 70 12.953 8.315 3.259 1.00 10.00 H new ATOM 0 HA LYS A 70 13.394 6.506 1.007 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.759 6.007 3.333 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.246 5.200 3.694 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.778 3.590 2.737 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.470 3.861 1.603 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.449 3.890 0.280 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.983 5.572 0.434 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.596 5.408 2.599 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.312 4.123 1.647 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.353 6.275 1.232 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.637 5.659 -0.179 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 16.875 6.907 0.685 1.00 10.00 H new ATOM 1145 N LEU A 71 10.881 7.358 2.593 1.00 10.00 N ATOM 1146 CA LEU A 71 9.432 7.234 2.728 1.00 10.00 C ATOM 1147 C LEU A 71 8.786 8.556 2.331 1.00 10.00 C ATOM 1148 O LEU A 71 9.472 9.400 1.791 1.00 10.00 O ATOM 1149 CB LEU A 71 9.097 6.849 4.169 1.00 10.00 C ATOM 1150 CG LEU A 71 8.032 5.765 4.326 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.943 6.236 5.263 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.442 5.379 2.977 1.00 10.00 C ATOM 0 H LEU A 71 11.253 8.269 2.859 1.00 10.00 H new ATOM 0 HA LEU A 71 9.044 6.455 2.072 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.010 6.511 4.659 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.763 7.742 4.698 1.00 10.00 H new ATOM 0 HG LEU A 71 8.506 4.880 4.752 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.190 5.455 5.367 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.374 6.457 6.240 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.479 7.136 4.859 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.687 4.606 3.118 1.00 10.00 H new ATOM 0 HD22 LEU A 71 6.984 6.254 2.516 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.232 5.000 2.329 1.00 10.00 H new ATOM 1164 N LEU A 72 7.484 8.740 2.658 1.00 10.00 N ATOM 1165 CA LEU A 72 6.722 9.950 2.269 1.00 10.00 C ATOM 1166 C LEU A 72 7.341 11.173 2.926 1.00 10.00 C ATOM 1167 O LEU A 72 8.369 11.114 3.601 1.00 10.00 O ATOM 1168 CB LEU A 72 5.240 9.802 2.626 1.00 10.00 C ATOM 1169 CG LEU A 72 4.622 8.455 2.228 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.562 7.520 3.409 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.236 8.625 1.648 1.00 10.00 C ATOM 0 H LEU A 72 6.939 8.063 3.192 1.00 10.00 H new ATOM 0 HA LEU A 72 6.776 10.077 1.188 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.123 9.938 3.701 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.681 10.602 2.141 1.00 10.00 H new ATOM 0 HG LEU A 72 5.266 8.025 1.461 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.120 6.572 3.101 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.570 7.345 3.786 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.953 7.966 4.195 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.832 7.649 1.379 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.587 9.095 2.387 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.288 9.254 0.759 1.00 10.00 H new ATOM 1183 N LYS A 73 6.648 12.296 2.735 1.00 10.00 N ATOM 1184 CA LYS A 73 6.981 13.509 3.455 1.00 10.00 C ATOM 1185 C LYS A 73 6.176 13.368 4.734 1.00 10.00 C ATOM 1186 O LYS A 73 4.966 13.511 4.707 1.00 10.00 O ATOM 1187 CB LYS A 73 6.568 14.832 2.767 1.00 10.00 C ATOM 1188 CG LYS A 73 6.397 14.795 1.258 1.00 10.00 C ATOM 1189 CD LYS A 73 7.663 14.380 0.537 1.00 10.00 C ATOM 1190 CE LYS A 73 8.863 15.244 0.888 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.584 16.699 0.746 1.00 10.00 N ATOM 0 H LYS A 73 5.861 12.384 2.092 1.00 10.00 H new ATOM 0 HA LYS A 73 8.063 13.588 3.559 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.628 15.165 3.207 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.317 15.587 3.006 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.595 14.102 1.004 1.00 10.00 H new ATOM 0 HG3 LYS A 73 6.090 15.780 0.907 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.888 13.341 0.780 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.493 14.426 -0.539 1.00 10.00 H new ATOM 0 HE2 LYS A 73 9.169 15.035 1.913 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.700 14.974 0.245 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 9.480 17.227 0.763 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 8.097 16.873 -0.156 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.981 17.015 1.532 1.00 10.00 H new ATOM 1205 N GLU A 74 6.830 12.979 5.804 1.00 10.00 N ATOM 1206 CA GLU A 74 6.175 12.750 7.105 1.00 10.00 C ATOM 1207 C GLU A 74 5.243 13.865 7.605 1.00 10.00 C ATOM 1208 O GLU A 74 4.566 13.715 8.620 1.00 10.00 O ATOM 1209 CB GLU A 74 7.238 12.524 8.170 1.00 10.00 C ATOM 1210 CG GLU A 74 7.696 13.799 8.861 1.00 10.00 C ATOM 1211 CD GLU A 74 8.697 14.585 8.041 1.00 10.00 C ATOM 1212 OE1 GLU A 74 8.270 15.337 7.139 1.00 10.00 O ATOM 1213 OE2 GLU A 74 9.914 14.452 8.291 1.00 10.00 O ATOM 0 H GLU A 74 7.835 12.807 5.814 1.00 10.00 H new ATOM 0 HA GLU A 74 5.539 11.881 6.935 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.847 11.836 8.920 1.00 10.00 H new ATOM 0 HB3 GLU A 74 8.101 12.040 7.712 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.829 14.427 9.066 1.00 10.00 H new ATOM 0 HG3 GLU A 74 8.141 13.545 9.823 1.00 10.00 H new ATOM 1220 N ASN A 75 5.209 14.954 6.882 1.00 10.00 N ATOM 1221 CA ASN A 75 4.313 16.065 7.179 1.00 10.00 C ATOM 1222 C ASN A 75 3.205 16.146 6.120 1.00 10.00 C ATOM 1223 O ASN A 75 2.560 17.182 5.946 1.00 10.00 O ATOM 1224 CB ASN A 75 5.084 17.369 7.203 1.00 10.00 C ATOM 1225 CG ASN A 75 5.312 17.875 8.612 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.567 16.959 9.535 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 5.278 19.080 8.868 1.00 10.00 N flip ATOM 0 H ASN A 75 5.801 15.106 6.065 1.00 10.00 H new ATOM 0 HA ASN A 75 3.865 15.896 8.158 1.00 10.00 H new ATOM 0 HB2 ASN A 75 6.046 17.229 6.709 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.539 18.121 6.633 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.078 19.753 8.128 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.450 19.404 9.820 1.00 10.00 H new ATOM 1234 N ALA A 76 2.997 15.039 5.422 1.00 10.00 N ATOM 1235 CA ALA A 76 1.992 14.923 4.353 1.00 10.00 C ATOM 1236 C ALA A 76 1.348 13.543 4.377 1.00 10.00 C ATOM 1237 O ALA A 76 1.956 12.519 4.686 1.00 10.00 O ATOM 1238 CB ALA A 76 2.641 15.126 2.990 1.00 10.00 C ATOM 0 H ALA A 76 3.524 14.180 5.577 1.00 10.00 H new ATOM 0 HA ALA A 76 1.235 15.689 4.522 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.885 15.037 2.210 1.00 10.00 H new ATOM 0 HB2 ALA A 76 3.093 16.117 2.946 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.410 14.369 2.837 1.00 10.00 H new ATOM 1244 N VAL A 77 0.066 13.595 4.007 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.854 12.466 3.966 1.00 10.00 C ATOM 1246 C VAL A 77 -1.841 12.675 2.803 1.00 10.00 C ATOM 1247 O VAL A 77 -2.073 13.817 2.409 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.623 12.407 5.332 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.710 13.790 5.968 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.031 11.838 5.195 1.00 10.00 C ATOM 0 H VAL A 77 -0.375 14.467 3.715 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.318 11.530 3.812 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.048 11.736 5.970 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.248 13.722 6.914 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.705 14.171 6.148 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.240 14.466 5.297 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.514 11.822 6.172 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.611 12.461 4.514 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -2.977 10.823 4.800 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.380 11.580 2.202 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.381 11.654 1.124 1.00 10.00 C ATOM 1262 C PRO A 78 -4.416 12.672 1.561 1.00 10.00 C ATOM 1263 O PRO A 78 -5.083 12.536 2.585 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.943 10.229 1.031 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.266 9.438 2.098 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.050 10.214 2.531 1.00 10.00 C ATOM 0 HA PRO A 78 -3.006 11.966 0.149 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.024 10.228 1.173 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.751 9.799 0.048 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.938 9.276 2.941 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.981 8.455 1.724 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.858 10.094 3.597 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.155 9.881 2.006 1.00 10.00 H new ATOM 1274 N THR A 79 -4.536 13.682 0.729 1.00 10.00 N ATOM 1275 CA THR A 79 -5.484 14.752 0.915 1.00 10.00 C ATOM 1276 C THR A 79 -6.373 14.852 -0.324 1.00 10.00 C ATOM 1277 O THR A 79 -7.391 15.548 -0.331 1.00 10.00 O ATOM 1278 CB THR A 79 -4.763 16.087 1.178 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.627 16.990 1.871 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.288 16.727 -0.119 1.00 10.00 C ATOM 0 H THR A 79 -3.966 13.783 -0.111 1.00 10.00 H new ATOM 0 HA THR A 79 -6.101 14.536 1.787 1.00 10.00 H new ATOM 0 HB THR A 79 -3.890 15.874 1.795 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.156 17.834 2.033 1.00 10.00 H new ATOM 0 HG21 THR A 79 -3.783 17.667 0.103 1.00 10.00 H new ATOM 0 HG22 THR A 79 -3.595 16.054 -0.624 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.145 16.918 -0.765 1.00 10.00 H new ATOM 1288 N ILE A 80 -5.984 14.127 -1.373 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.693 14.166 -2.651 1.00 10.00 C ATOM 1290 C ILE A 80 -7.699 13.014 -2.742 1.00 10.00 C ATOM 1291 O ILE A 80 -8.286 12.784 -3.795 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.716 14.032 -3.848 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.378 14.728 -3.559 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.355 14.575 -5.121 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.206 16.076 -4.238 1.00 10.00 C ATOM 0 H ILE A 80 -5.177 13.503 -1.362 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.203 15.128 -2.699 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.506 12.973 -3.996 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.279 14.863 -2.482 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.567 14.071 -3.873 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.656 14.473 -5.951 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.263 14.013 -5.340 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.604 15.627 -4.983 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.233 16.493 -3.977 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.269 15.950 -5.319 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -4.992 16.754 -3.906 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.860 12.269 -1.640 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.763 11.106 -1.593 1.00 10.00 C ATOM 1309 C PHE A 81 -10.072 11.334 -2.334 1.00 10.00 C ATOM 1310 O PHE A 81 -10.476 10.493 -3.130 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.078 10.705 -0.149 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.158 9.659 0.442 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.361 8.848 -0.361 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.111 9.471 1.813 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.545 7.881 0.196 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.297 8.502 2.371 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.516 7.707 1.561 1.00 10.00 C ATOM 0 H PHE A 81 -7.374 12.451 -0.762 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.225 10.302 -2.096 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.038 11.597 0.476 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.101 10.332 -0.107 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.380 8.976 -1.433 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -8.719 10.090 2.456 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.930 7.262 -0.440 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.274 8.368 3.442 1.00 10.00 H new ATOM 0 HZ PHE A 81 -5.882 6.949 1.996 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.726 12.457 -2.070 1.00 10.00 N ATOM 1328 CA LEU A 82 -11.994 12.780 -2.714 1.00 10.00 C ATOM 1329 C LEU A 82 -12.401 14.197 -2.365 1.00 10.00 C ATOM 1330 O LEU A 82 -11.967 14.738 -1.342 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.095 11.819 -2.254 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.650 10.823 -3.295 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.161 10.942 -3.381 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.037 11.030 -4.673 1.00 10.00 C ATOM 0 H LEU A 82 -10.398 13.163 -1.411 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.863 12.684 -3.792 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.710 11.245 -1.411 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -13.928 12.415 -1.881 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.378 9.822 -2.960 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.540 10.235 -4.118 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.599 10.722 -2.408 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.430 11.956 -3.679 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.458 10.307 -5.371 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.256 12.040 -5.021 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -11.957 10.892 -4.615 1.00 10.00 H new