USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 718 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 56 THR OG1 : rot -26:sc= 0.884 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.984 K(o=1.9,f=-6.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.313 USER MOD Single : A 44 GLN : amide:sc= -0.0405 X(o=-0.041,f=-0.19) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 168:sc= 0 (180deg=-0.163) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.33) USER MOD Single : A 65 SER OG : rot -51:sc= 0.74 USER MOD Single : A 67 THR OG1 : rot -79:sc= 1.57 USER MOD Single : A 68 ASN : amide:sc= 0.637 K(o=0.64,f=-1.2) USER MOD Single : A 69 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0727) USER MOD Single : A 74 THR OG1 : rot 124:sc= 0.173 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS :FLIP no HD1:sc= -1.19 F(o=-2.7!,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 138:sc= 0.13 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0634! C(o=-0.063!,f=-10!) USER MOD Single : A 95 ASN : amide:sc=-0.00282 K(o=-0.0028,f=-1.2) USER MOD Single : A 96 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.22) USER MOD Single : A 101 SER OG : rot 170:sc= 0.347 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.658 K(o=-0.66,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.234 K(o=-0.23,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 6.754 -31.302 -21.913 1.00 0.00 N ATOM 2 CA GLY A 29 6.900 -30.640 -23.195 1.00 0.00 C ATOM 3 C GLY A 29 6.414 -29.205 -23.165 1.00 0.00 C ATOM 4 O GLY A 29 6.917 -28.388 -22.396 1.00 0.00 O ATOM 0 HA2 GLY A 29 7.948 -30.659 -23.493 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.343 -31.193 -23.952 1.00 0.00 H new ATOM 10 N SER A 30 5.431 -28.896 -24.007 1.00 0.00 N ATOM 11 CA SER A 30 5.011 -27.517 -24.219 1.00 0.00 C ATOM 12 C SER A 30 3.737 -27.211 -23.439 1.00 0.00 C ATOM 13 O SER A 30 3.026 -28.119 -23.009 1.00 0.00 O ATOM 14 CB SER A 30 4.804 -27.254 -25.698 1.00 0.00 C ATOM 15 OG SER A 30 3.733 -27.992 -26.219 1.00 0.00 O ATOM 0 H SER A 30 4.911 -29.583 -24.553 1.00 0.00 H new ATOM 0 HA SER A 30 5.798 -26.858 -23.853 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.622 -26.191 -25.855 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.715 -27.505 -26.241 1.00 0.00 H new ATOM 0 HG SER A 30 3.632 -27.793 -27.173 1.00 0.00 H new ATOM 21 N GLU A 31 3.455 -25.923 -23.257 1.00 0.00 N ATOM 22 CA GLU A 31 2.518 -25.484 -22.231 1.00 0.00 C ATOM 23 C GLU A 31 1.191 -25.055 -22.855 1.00 0.00 C ATOM 24 O GLU A 31 1.055 -25.009 -24.076 1.00 0.00 O ATOM 25 CB GLU A 31 3.114 -24.336 -21.414 1.00 0.00 C ATOM 26 CG GLU A 31 4.365 -24.707 -20.630 1.00 0.00 C ATOM 27 CD GLU A 31 4.865 -23.545 -19.818 1.00 0.00 C ATOM 28 OE1 GLU A 31 4.322 -22.474 -19.951 1.00 0.00 O ATOM 29 OE2 GLU A 31 5.714 -23.751 -18.983 1.00 0.00 O ATOM 0 H GLU A 31 3.863 -25.167 -23.807 1.00 0.00 H new ATOM 0 HA GLU A 31 2.329 -26.325 -21.564 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.352 -23.512 -22.087 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.359 -23.971 -20.718 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.148 -25.547 -19.971 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.144 -25.035 -21.318 1.00 0.00 H new ATOM 36 N GLU A 32 0.218 -24.744 -22.004 1.00 0.00 N ATOM 37 CA GLU A 32 -0.968 -24.014 -22.437 1.00 0.00 C ATOM 38 C GLU A 32 -1.125 -22.717 -21.649 1.00 0.00 C ATOM 39 O GLU A 32 -1.238 -22.731 -20.423 1.00 0.00 O ATOM 40 CB GLU A 32 -2.220 -24.882 -22.281 1.00 0.00 C ATOM 41 CG GLU A 32 -3.507 -24.219 -22.752 1.00 0.00 C ATOM 42 CD GLU A 32 -4.686 -25.134 -22.579 1.00 0.00 C ATOM 43 OE1 GLU A 32 -4.510 -26.206 -22.051 1.00 0.00 O ATOM 44 OE2 GLU A 32 -5.783 -24.718 -22.871 1.00 0.00 O ATOM 0 H GLU A 32 0.227 -24.986 -21.013 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.845 -23.764 -23.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.077 -25.808 -22.838 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.329 -25.155 -21.232 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.672 -23.299 -22.190 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.412 -23.939 -23.801 1.00 0.00 H new ATOM 51 N LYS A 33 -1.133 -21.594 -22.361 1.00 0.00 N ATOM 52 CA LYS A 33 -0.795 -20.308 -21.768 1.00 0.00 C ATOM 53 C LYS A 33 -2.045 -19.458 -21.562 1.00 0.00 C ATOM 54 O LYS A 33 -2.986 -19.520 -22.355 1.00 0.00 O ATOM 55 CB LYS A 33 0.214 -19.562 -22.641 1.00 0.00 C ATOM 56 CG LYS A 33 1.574 -20.240 -22.750 1.00 0.00 C ATOM 57 CD LYS A 33 2.519 -19.443 -23.636 1.00 0.00 C ATOM 58 CE LYS A 33 3.880 -20.116 -23.742 1.00 0.00 C ATOM 59 NZ LYS A 33 4.823 -19.335 -24.586 1.00 0.00 N ATOM 0 H LYS A 33 -1.371 -21.551 -23.352 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.343 -20.495 -20.794 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.203 -19.449 -23.642 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.353 -18.559 -22.238 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.009 -20.349 -21.757 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.451 -21.244 -23.156 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.085 -19.337 -24.630 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.639 -18.438 -23.232 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.302 -20.239 -22.745 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.759 -21.114 -24.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.738 -19.828 -24.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.433 -19.239 -25.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.959 -18.391 -24.172 1.00 0.00 H new ATOM 73 N GLU A 34 -2.050 -18.664 -20.496 1.00 0.00 N ATOM 74 CA GLU A 34 -3.134 -17.723 -20.249 1.00 0.00 C ATOM 75 C GLU A 34 -2.588 -16.357 -19.840 1.00 0.00 C ATOM 76 O GLU A 34 -1.376 -16.158 -19.775 1.00 0.00 O ATOM 77 CB GLU A 34 -4.075 -18.260 -19.168 1.00 0.00 C ATOM 78 CG GLU A 34 -4.796 -19.548 -19.543 1.00 0.00 C ATOM 79 CD GLU A 34 -5.706 -20.008 -18.438 1.00 0.00 C ATOM 80 OE1 GLU A 34 -5.830 -19.303 -17.466 1.00 0.00 O ATOM 81 OE2 GLU A 34 -6.361 -21.008 -18.614 1.00 0.00 O ATOM 0 H GLU A 34 -1.314 -18.654 -19.790 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.695 -17.605 -21.176 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.502 -18.431 -18.257 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.818 -17.496 -18.938 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.376 -19.391 -20.452 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.065 -20.326 -19.762 1.00 0.00 H new ATOM 88 N GLU A 35 -3.493 -15.421 -19.570 1.00 0.00 N ATOM 89 CA GLU A 35 -3.105 -14.042 -19.299 1.00 0.00 C ATOM 90 C GLU A 35 -2.869 -13.827 -17.806 1.00 0.00 C ATOM 91 O GLU A 35 -1.820 -13.333 -17.397 1.00 0.00 O ATOM 92 CB GLU A 35 -4.175 -13.074 -19.809 1.00 0.00 C ATOM 93 CG GLU A 35 -4.340 -13.062 -21.321 1.00 0.00 C ATOM 94 CD GLU A 35 -5.417 -12.100 -21.746 1.00 0.00 C ATOM 95 OE1 GLU A 35 -5.974 -11.449 -20.895 1.00 0.00 O ATOM 96 OE2 GLU A 35 -5.605 -11.935 -22.927 1.00 0.00 O ATOM 0 H GLU A 35 -4.498 -15.592 -19.533 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.172 -13.844 -19.827 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.130 -13.334 -19.353 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.926 -12.067 -19.475 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.396 -12.785 -21.790 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.587 -14.065 -21.670 1.00 0.00 H new ATOM 103 N LYS A 36 -3.855 -14.203 -16.997 1.00 0.00 N ATOM 104 CA LYS A 36 -3.687 -14.234 -15.548 1.00 0.00 C ATOM 105 C LYS A 36 -2.938 -12.998 -15.062 1.00 0.00 C ATOM 106 O LYS A 36 -1.832 -13.098 -14.531 1.00 0.00 O ATOM 107 CB LYS A 36 -2.947 -15.503 -15.121 1.00 0.00 C ATOM 108 CG LYS A 36 -3.702 -16.795 -15.400 1.00 0.00 C ATOM 109 CD LYS A 36 -2.926 -18.007 -14.908 1.00 0.00 C ATOM 110 CE LYS A 36 -3.667 -19.300 -15.211 1.00 0.00 C ATOM 111 NZ LYS A 36 -2.896 -20.498 -14.779 1.00 0.00 N ATOM 0 H LYS A 36 -4.779 -14.490 -17.320 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.677 -14.237 -15.093 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.987 -15.539 -15.635 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.735 -15.444 -14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.676 -16.762 -14.912 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.885 -16.888 -16.471 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.944 -18.029 -15.381 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.761 -17.924 -13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.634 -19.290 -14.708 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.865 -19.362 -16.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.436 -21.358 -15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.984 -20.522 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.729 -20.452 -13.754 1.00 0.00 H new ATOM 125 N LYS A 37 -3.548 -11.832 -15.244 1.00 0.00 N ATOM 126 CA LYS A 37 -2.842 -10.565 -15.085 1.00 0.00 C ATOM 127 C LYS A 37 -3.507 -9.703 -14.016 1.00 0.00 C ATOM 128 O LYS A 37 -4.732 -9.616 -13.949 1.00 0.00 O ATOM 129 CB LYS A 37 -2.788 -9.811 -16.415 1.00 0.00 C ATOM 130 CG LYS A 37 -2.000 -8.509 -16.368 1.00 0.00 C ATOM 131 CD LYS A 37 -1.988 -7.820 -17.723 1.00 0.00 C ATOM 132 CE LYS A 37 -1.215 -6.510 -17.673 1.00 0.00 C ATOM 133 NZ LYS A 37 -1.076 -5.892 -19.020 1.00 0.00 N ATOM 0 H LYS A 37 -4.530 -11.737 -15.502 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.823 -10.783 -14.765 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.347 -10.462 -17.170 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.806 -9.594 -16.737 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.437 -7.844 -15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.977 -8.712 -16.052 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.540 -8.481 -18.465 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.012 -7.628 -18.044 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.724 -5.814 -17.006 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.225 -6.689 -17.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.543 -5.002 -18.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.568 -6.544 -19.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.020 -5.697 -19.411 1.00 0.00 H new ATOM 147 N VAL A 38 -2.690 -9.065 -13.185 1.00 0.00 N ATOM 148 CA VAL A 38 -3.196 -8.160 -12.160 1.00 0.00 C ATOM 149 C VAL A 38 -3.267 -6.727 -12.676 1.00 0.00 C ATOM 150 O VAL A 38 -2.934 -6.456 -13.829 1.00 0.00 O ATOM 151 CB VAL A 38 -2.321 -8.197 -10.892 1.00 0.00 C ATOM 152 CG1 VAL A 38 -2.303 -9.597 -10.297 1.00 0.00 C ATOM 153 CG2 VAL A 38 -0.906 -7.735 -11.207 1.00 0.00 C ATOM 0 H VAL A 38 -1.674 -9.158 -13.201 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.200 -8.501 -11.907 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.751 -7.516 -10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.680 -9.604 -9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.318 -9.894 -10.035 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.897 -10.297 -11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.302 -7.768 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.468 -8.392 -11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.933 -6.714 -11.588 1.00 0.00 H new ATOM 163 N ARG A 39 -3.704 -5.815 -11.814 1.00 0.00 N ATOM 164 CA ARG A 39 -3.877 -4.421 -12.201 1.00 0.00 C ATOM 165 C ARG A 39 -2.552 -3.667 -12.128 1.00 0.00 C ATOM 166 O ARG A 39 -1.686 -3.994 -11.317 1.00 0.00 O ATOM 167 CB ARG A 39 -4.961 -3.729 -11.389 1.00 0.00 C ATOM 168 CG ARG A 39 -6.333 -4.380 -11.467 1.00 0.00 C ATOM 169 CD ARG A 39 -6.927 -4.397 -12.827 1.00 0.00 C ATOM 170 NE ARG A 39 -7.091 -3.083 -13.430 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.157 -2.282 -13.237 1.00 0.00 C ATOM 172 NH1 ARG A 39 -9.169 -2.668 -12.493 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.168 -1.104 -13.836 1.00 0.00 N ATOM 0 H ARG A 39 -3.945 -6.017 -10.843 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.213 -4.412 -13.238 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.649 -3.698 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.045 -2.696 -11.728 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.257 -5.405 -11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.010 -3.854 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.298 -5.005 -13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.901 -4.885 -12.778 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.348 -2.745 -14.041 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.156 -3.587 -12.051 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.968 -2.049 -12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.384 -0.824 -14.425 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.961 -0.475 -13.710 1.00 0.00 H new ATOM 187 N GLU A 40 -2.402 -2.658 -12.980 1.00 0.00 N ATOM 188 CA GLU A 40 -1.094 -2.071 -13.245 1.00 0.00 C ATOM 189 C GLU A 40 -0.787 -0.955 -12.249 1.00 0.00 C ATOM 190 O GLU A 40 -1.611 -0.623 -11.396 1.00 0.00 O ATOM 191 CB GLU A 40 -1.026 -1.535 -14.676 1.00 0.00 C ATOM 192 CG GLU A 40 -1.930 -0.340 -14.944 1.00 0.00 C ATOM 193 CD GLU A 40 -1.851 0.092 -16.382 1.00 0.00 C ATOM 194 OE1 GLU A 40 -0.805 0.532 -16.794 1.00 0.00 O ATOM 195 OE2 GLU A 40 -2.801 -0.119 -17.098 1.00 0.00 O ATOM 0 H GLU A 40 -3.169 -2.230 -13.498 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.343 -2.853 -13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.003 -1.253 -14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.291 -2.337 -15.364 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.960 -0.597 -14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.643 0.489 -14.297 1.00 0.00 H new ATOM 202 N LEU A 41 0.406 -0.382 -12.362 1.00 0.00 N ATOM 203 CA LEU A 41 0.870 0.615 -11.404 1.00 0.00 C ATOM 204 C LEU A 41 0.762 2.021 -11.985 1.00 0.00 C ATOM 205 O LEU A 41 1.641 2.470 -12.721 1.00 0.00 O ATOM 206 CB LEU A 41 2.315 0.317 -10.984 1.00 0.00 C ATOM 207 CG LEU A 41 2.469 -0.733 -9.877 1.00 0.00 C ATOM 208 CD1 LEU A 41 1.752 -2.017 -10.271 1.00 0.00 C ATOM 209 CD2 LEU A 41 3.947 -0.995 -9.627 1.00 0.00 C ATOM 0 H LEU A 41 1.070 -0.591 -13.108 1.00 0.00 H new ATOM 0 HA LEU A 41 0.232 0.564 -10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.870 -0.018 -11.860 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.778 1.245 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 41 2.018 -0.360 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.867 -2.756 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.693 -1.810 -10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.182 -2.405 -11.194 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.056 -1.741 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.411 -1.362 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.434 -0.069 -9.319 1.00 0.00 H new ATOM 221 N THR A 42 -0.321 2.715 -11.647 1.00 0.00 N ATOM 222 CA THR A 42 -0.520 4.088 -12.094 1.00 0.00 C ATOM 223 C THR A 42 -0.342 5.073 -10.944 1.00 0.00 C ATOM 224 O THR A 42 -0.509 4.733 -9.772 1.00 0.00 O ATOM 225 CB THR A 42 -1.916 4.284 -12.712 1.00 0.00 C ATOM 226 OG1 THR A 42 -2.918 4.109 -11.702 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.149 3.280 -13.832 1.00 0.00 C ATOM 0 H THR A 42 -1.074 2.348 -11.065 1.00 0.00 H new ATOM 0 HA THR A 42 0.235 4.283 -12.856 1.00 0.00 H new ATOM 0 HB THR A 42 -1.977 5.292 -13.123 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.806 4.236 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.141 3.433 -14.257 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.396 3.419 -14.608 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.077 2.268 -13.434 1.00 0.00 H new ATOM 235 N PRO A 43 0.006 6.322 -11.283 1.00 0.00 N ATOM 236 CA PRO A 43 0.106 7.409 -10.304 1.00 0.00 C ATOM 237 C PRO A 43 -1.216 7.673 -9.592 1.00 0.00 C ATOM 238 O PRO A 43 -1.235 8.117 -8.445 1.00 0.00 O ATOM 239 CB PRO A 43 0.556 8.615 -11.136 1.00 0.00 C ATOM 240 CG PRO A 43 0.135 8.283 -12.527 1.00 0.00 C ATOM 241 CD PRO A 43 0.300 6.792 -12.650 1.00 0.00 C ATOM 0 HA PRO A 43 0.801 7.172 -9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.087 9.535 -10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.634 8.762 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.898 8.580 -12.706 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.749 8.808 -13.259 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.387 6.367 -13.381 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.308 6.520 -12.964 1.00 0.00 H new ATOM 249 N GLN A 44 -2.318 7.397 -10.281 1.00 0.00 N ATOM 250 CA GLN A 44 -3.644 7.551 -9.695 1.00 0.00 C ATOM 251 C GLN A 44 -3.893 6.494 -8.624 1.00 0.00 C ATOM 252 O GLN A 44 -4.393 6.799 -7.542 1.00 0.00 O ATOM 253 CB GLN A 44 -4.724 7.457 -10.777 1.00 0.00 C ATOM 254 CG GLN A 44 -6.134 7.706 -10.271 1.00 0.00 C ATOM 255 CD GLN A 44 -6.314 9.109 -9.725 1.00 0.00 C ATOM 256 OE1 GLN A 44 -5.884 10.090 -10.338 1.00 0.00 O ATOM 257 NE2 GLN A 44 -6.949 9.214 -8.562 1.00 0.00 N ATOM 0 H GLN A 44 -2.319 7.066 -11.246 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.691 8.536 -9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.499 8.178 -11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.682 6.467 -11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.843 7.542 -11.083 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.370 6.983 -9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.288 8.377 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.097 10.132 -8.143 1.00 0.00 H new ATOM 266 N GLU A 45 -3.539 5.250 -8.934 1.00 0.00 N ATOM 267 CA GLU A 45 -3.742 4.144 -8.005 1.00 0.00 C ATOM 268 C GLU A 45 -2.699 4.172 -6.892 1.00 0.00 C ATOM 269 O GLU A 45 -2.958 3.726 -5.772 1.00 0.00 O ATOM 270 CB GLU A 45 -3.691 2.805 -8.744 1.00 0.00 C ATOM 271 CG GLU A 45 -4.893 2.533 -9.637 1.00 0.00 C ATOM 272 CD GLU A 45 -4.770 1.203 -10.326 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.786 0.536 -10.120 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.712 0.802 -10.971 1.00 0.00 O ATOM 0 H GLU A 45 -3.111 4.983 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.728 4.257 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.787 2.774 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.609 2.002 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.805 2.553 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.982 3.324 -10.382 1.00 0.00 H new ATOM 281 N LEU A 46 -1.521 4.699 -7.205 1.00 0.00 N ATOM 282 CA LEU A 46 -0.451 4.817 -6.221 1.00 0.00 C ATOM 283 C LEU A 46 -0.729 5.958 -5.248 1.00 0.00 C ATOM 284 O LEU A 46 -0.401 5.870 -4.064 1.00 0.00 O ATOM 285 CB LEU A 46 0.895 5.028 -6.923 1.00 0.00 C ATOM 286 CG LEU A 46 1.736 3.759 -7.120 1.00 0.00 C ATOM 287 CD1 LEU A 46 0.847 2.611 -7.580 1.00 0.00 C ATOM 288 CD2 LEU A 46 2.836 4.030 -8.135 1.00 0.00 C ATOM 0 H LEU A 46 -1.282 5.051 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.408 3.889 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.711 5.478 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.479 5.745 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 46 2.196 3.476 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.452 1.715 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.081 2.420 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.371 2.875 -8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.433 3.129 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.390 4.320 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.475 4.836 -7.773 1.00 0.00 H new ATOM 300 N GLU A 47 -1.337 7.025 -5.754 1.00 0.00 N ATOM 301 CA GLU A 47 -1.687 8.172 -4.923 1.00 0.00 C ATOM 302 C GLU A 47 -2.771 7.801 -3.914 1.00 0.00 C ATOM 303 O GLU A 47 -2.617 8.019 -2.712 1.00 0.00 O ATOM 304 CB GLU A 47 -2.150 9.344 -5.790 1.00 0.00 C ATOM 305 CG GLU A 47 -1.022 10.210 -6.331 1.00 0.00 C ATOM 306 CD GLU A 47 -1.549 11.295 -7.228 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.383 12.051 -6.789 1.00 0.00 O ATOM 308 OE2 GLU A 47 -1.038 11.441 -8.314 1.00 0.00 O ATOM 0 H GLU A 47 -1.598 7.120 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.795 8.475 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.727 8.954 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.823 9.970 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.473 10.656 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.317 9.589 -6.883 1.00 0.00 H new ATOM 315 N LEU A 48 -3.867 7.240 -4.413 1.00 0.00 N ATOM 316 CA LEU A 48 -5.016 6.924 -3.572 1.00 0.00 C ATOM 317 C LEU A 48 -4.609 6.020 -2.413 1.00 0.00 C ATOM 318 O LEU A 48 -5.263 5.998 -1.370 1.00 0.00 O ATOM 319 CB LEU A 48 -6.111 6.251 -4.400 1.00 0.00 C ATOM 320 CG LEU A 48 -5.924 4.759 -4.673 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.345 3.938 -3.464 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.710 4.338 -5.905 1.00 0.00 C ATOM 0 H LEU A 48 -3.984 6.995 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.403 7.857 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.063 6.390 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.185 6.768 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.866 4.575 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.205 2.878 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.737 4.219 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.395 4.128 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.564 3.273 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.770 4.538 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.360 4.902 -6.770 1.00 0.00 H new ATOM 334 N PHE A 49 -3.525 5.275 -2.602 1.00 0.00 N ATOM 335 CA PHE A 49 -2.986 4.428 -1.545 1.00 0.00 C ATOM 336 C PHE A 49 -2.372 5.272 -0.432 1.00 0.00 C ATOM 337 O PHE A 49 -2.782 5.189 0.725 1.00 0.00 O ATOM 338 CB PHE A 49 -1.945 3.461 -2.113 1.00 0.00 C ATOM 339 CG PHE A 49 -1.316 2.573 -1.079 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.987 1.457 -0.600 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.051 2.851 -0.581 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.408 0.639 0.352 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.531 2.033 0.369 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.150 0.927 0.837 1.00 0.00 C ATOM 0 H PHE A 49 -3.003 5.241 -3.477 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.807 3.849 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.417 2.839 -2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.163 4.035 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.973 1.225 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.485 3.717 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.942 -0.226 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.518 2.259 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.302 0.289 1.582 1.00 0.00 H new ATOM 354 N LYS A 50 -1.383 6.084 -0.792 1.00 0.00 N ATOM 355 CA LYS A 50 -0.708 6.942 0.176 1.00 0.00 C ATOM 356 C LYS A 50 -1.642 8.044 0.668 1.00 0.00 C ATOM 357 O LYS A 50 -1.532 8.501 1.807 1.00 0.00 O ATOM 358 CB LYS A 50 0.553 7.552 -0.437 1.00 0.00 C ATOM 359 CG LYS A 50 0.289 8.594 -1.516 1.00 0.00 C ATOM 360 CD LYS A 50 1.585 9.204 -2.027 1.00 0.00 C ATOM 361 CE LYS A 50 1.317 10.298 -3.050 1.00 0.00 C ATOM 362 NZ LYS A 50 2.578 10.888 -3.577 1.00 0.00 N ATOM 0 H LYS A 50 -1.031 6.166 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.420 6.329 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.143 8.011 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.159 6.752 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.250 8.134 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.352 9.380 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.150 9.616 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.203 8.427 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.736 9.888 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.713 11.082 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.351 11.629 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.122 11.302 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.143 10.146 -4.036 1.00 0.00 H new ATOM 376 N ARG A 51 -2.559 8.465 -0.197 1.00 0.00 N ATOM 377 CA ARG A 51 -3.569 9.445 0.182 1.00 0.00 C ATOM 378 C ARG A 51 -4.494 8.886 1.260 1.00 0.00 C ATOM 379 O ARG A 51 -4.759 9.543 2.266 1.00 0.00 O ATOM 380 CB ARG A 51 -4.354 9.955 -1.020 1.00 0.00 C ATOM 381 CG ARG A 51 -3.580 10.884 -1.940 1.00 0.00 C ATOM 382 CD ARG A 51 -4.353 11.368 -3.112 1.00 0.00 C ATOM 383 NE ARG A 51 -3.585 12.166 -4.054 1.00 0.00 N ATOM 384 CZ ARG A 51 -3.285 13.469 -3.885 1.00 0.00 C ATOM 385 NH1 ARG A 51 -3.715 14.133 -2.835 1.00 0.00 N ATOM 386 NH2 ARG A 51 -2.564 14.069 -4.817 1.00 0.00 N ATOM 0 H ARG A 51 -2.623 8.143 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.046 10.305 0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.701 9.099 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.241 10.478 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.239 11.744 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.690 10.365 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.768 10.508 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.196 11.961 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.250 11.708 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.285 13.662 -2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.478 15.119 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.251 13.546 -5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.321 15.055 -4.718 1.00 0.00 H new ATOM 400 N ALA A 52 -4.980 7.668 1.042 1.00 0.00 N ATOM 401 CA ALA A 52 -5.816 6.993 2.026 1.00 0.00 C ATOM 402 C ALA A 52 -5.019 6.643 3.277 1.00 0.00 C ATOM 403 O ALA A 52 -5.525 6.742 4.395 1.00 0.00 O ATOM 404 CB ALA A 52 -6.430 5.737 1.423 1.00 0.00 C ATOM 0 H ALA A 52 -4.809 7.129 0.193 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.616 7.675 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.052 5.242 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.041 6.008 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.637 5.060 1.106 1.00 0.00 H new ATOM 410 N MET A 53 -3.769 6.236 3.082 1.00 0.00 N ATOM 411 CA MET A 53 -2.921 5.813 4.192 1.00 0.00 C ATOM 412 C MET A 53 -2.545 7.000 5.072 1.00 0.00 C ATOM 413 O MET A 53 -2.241 6.839 6.252 1.00 0.00 O ATOM 414 CB MET A 53 -1.664 5.123 3.665 1.00 0.00 C ATOM 415 CG MET A 53 -0.804 4.477 4.741 1.00 0.00 C ATOM 416 SD MET A 53 -1.661 3.152 5.613 1.00 0.00 S ATOM 417 CE MET A 53 -1.686 1.878 4.356 1.00 0.00 C ATOM 0 H MET A 53 -3.321 6.190 2.167 1.00 0.00 H new ATOM 0 HA MET A 53 -3.483 5.104 4.800 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.958 4.359 2.945 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.062 5.854 3.126 1.00 0.00 H new ATOM 0 HG2 MET A 53 0.103 4.080 4.286 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.494 5.237 5.458 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.988 0.931 4.804 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.395 2.152 3.574 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.691 1.774 3.923 1.00 0.00 H new ATOM 427 N GLY A 54 -2.566 8.194 4.488 1.00 0.00 N ATOM 428 CA GLY A 54 -2.198 9.388 5.226 1.00 0.00 C ATOM 429 C GLY A 54 -0.697 9.571 5.326 1.00 0.00 C ATOM 430 O GLY A 54 -0.194 10.106 6.314 1.00 0.00 O ATOM 0 H GLY A 54 -2.831 8.356 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.635 10.260 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.622 9.336 6.229 1.00 0.00 H new ATOM 434 N ILE A 55 0.021 9.122 4.301 1.00 0.00 N ATOM 435 CA ILE A 55 1.478 9.145 4.322 1.00 0.00 C ATOM 436 C ILE A 55 2.008 10.558 4.097 1.00 0.00 C ATOM 437 O ILE A 55 1.671 11.209 3.107 1.00 0.00 O ATOM 438 CB ILE A 55 2.073 8.207 3.256 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.676 6.756 3.540 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.587 8.348 3.208 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.020 5.798 2.423 1.00 0.00 C ATOM 0 H ILE A 55 -0.383 8.738 3.447 1.00 0.00 H new ATOM 0 HA ILE A 55 1.785 8.797 5.308 1.00 0.00 H new ATOM 0 HB ILE A 55 1.671 8.490 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.171 6.426 4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.603 6.713 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.991 7.678 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.849 9.377 2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.007 8.091 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.708 4.791 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.504 6.101 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.096 5.810 2.252 1.00 0.00 H new ATOM 453 N THR A 56 2.839 11.027 5.023 1.00 0.00 N ATOM 454 CA THR A 56 3.360 12.386 4.962 1.00 0.00 C ATOM 455 C THR A 56 4.748 12.415 4.335 1.00 0.00 C ATOM 456 O THR A 56 5.463 11.412 4.300 1.00 0.00 O ATOM 457 CB THR A 56 3.426 13.029 6.360 1.00 0.00 C ATOM 458 OG1 THR A 56 4.414 12.356 7.152 1.00 0.00 O ATOM 459 CG2 THR A 56 2.077 12.935 7.055 1.00 0.00 C ATOM 0 H THR A 56 3.165 10.485 5.823 1.00 0.00 H new ATOM 0 HA THR A 56 2.672 12.959 4.341 1.00 0.00 H new ATOM 0 HB THR A 56 3.693 14.080 6.247 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.523 11.437 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.143 13.394 8.041 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.325 13.455 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.794 11.888 7.161 1.00 0.00 H new ATOM 467 N PRO A 57 5.145 13.591 3.825 1.00 0.00 N ATOM 468 CA PRO A 57 6.485 13.803 3.271 1.00 0.00 C ATOM 469 C PRO A 57 7.582 13.604 4.310 1.00 0.00 C ATOM 470 O PRO A 57 8.750 13.420 3.968 1.00 0.00 O ATOM 471 CB PRO A 57 6.447 15.244 2.752 1.00 0.00 C ATOM 472 CG PRO A 57 5.356 15.891 3.535 1.00 0.00 C ATOM 473 CD PRO A 57 4.318 14.820 3.734 1.00 0.00 C ATOM 0 HA PRO A 57 6.723 13.082 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.401 15.748 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.241 15.276 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.725 16.263 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.942 16.745 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.733 14.984 4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.614 14.776 2.903 1.00 0.00 H new ATOM 481 N HIS A 58 7.200 13.643 5.582 1.00 0.00 N ATOM 482 CA HIS A 58 8.125 13.350 6.670 1.00 0.00 C ATOM 483 C HIS A 58 8.531 11.877 6.655 1.00 0.00 C ATOM 484 O HIS A 58 9.710 11.549 6.769 1.00 0.00 O ATOM 485 CB HIS A 58 7.505 13.711 8.023 1.00 0.00 C ATOM 486 CG HIS A 58 8.382 13.389 9.192 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.515 14.114 9.495 1.00 0.00 N ATOM 488 CD2 HIS A 58 8.296 12.419 10.133 1.00 0.00 C ATOM 489 CE1 HIS A 58 10.086 13.604 10.572 1.00 0.00 C ATOM 490 NE2 HIS A 58 9.366 12.575 10.979 1.00 0.00 N ATOM 0 H HIS A 58 6.254 13.875 5.885 1.00 0.00 H new ATOM 0 HA HIS A 58 9.017 13.958 6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.276 14.777 8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.559 13.180 8.132 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.528 11.663 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.989 13.967 11.040 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.571 11.991 11.790 1.00 0.00 H new ATOM 498 N ASN A 59 7.544 10.999 6.516 1.00 0.00 N ATOM 499 CA ASN A 59 7.794 9.562 6.516 1.00 0.00 C ATOM 500 C ASN A 59 7.488 8.957 5.149 1.00 0.00 C ATOM 501 O ASN A 59 7.220 7.760 5.035 1.00 0.00 O ATOM 502 CB ASN A 59 6.994 8.858 7.597 1.00 0.00 C ATOM 503 CG ASN A 59 5.505 8.968 7.416 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.018 9.671 6.523 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.780 8.343 8.308 1.00 0.00 N ATOM 0 H ASN A 59 6.564 11.257 6.402 1.00 0.00 H new ATOM 0 HA ASN A 59 8.852 9.415 6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.272 7.804 7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.265 9.275 8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.763 8.424 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.231 7.775 9.025 1.00 0.00 H new ATOM 512 N TYR A 60 7.528 9.791 4.117 1.00 0.00 N ATOM 513 CA TYR A 60 7.341 9.324 2.749 1.00 0.00 C ATOM 514 C TYR A 60 8.486 8.411 2.323 1.00 0.00 C ATOM 515 O TYR A 60 8.268 7.372 1.699 1.00 0.00 O ATOM 516 CB TYR A 60 7.225 10.509 1.788 1.00 0.00 C ATOM 517 CG TYR A 60 7.017 10.109 0.344 1.00 0.00 C ATOM 518 CD1 TYR A 60 5.769 9.712 -0.112 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.069 10.133 -0.560 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.572 9.346 -1.431 1.00 0.00 C ATOM 521 CE2 TYR A 60 7.886 9.769 -1.880 1.00 0.00 C ATOM 522 CZ TYR A 60 6.634 9.376 -2.311 1.00 0.00 C ATOM 523 OH TYR A 60 6.446 9.014 -3.626 1.00 0.00 O ATOM 0 H TYR A 60 7.688 10.795 4.202 1.00 0.00 H new ATOM 0 HA TYR A 60 6.414 8.751 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.394 11.140 2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.129 11.113 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.936 9.688 0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.049 10.442 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.594 9.039 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.716 9.792 -2.570 1.00 0.00 H new ATOM 0 HH TYR A 60 7.294 9.092 -4.111 1.00 0.00 H new ATOM 533 N TRP A 61 9.707 8.807 2.665 1.00 0.00 N ATOM 534 CA TRP A 61 10.881 7.980 2.404 1.00 0.00 C ATOM 535 C TRP A 61 10.844 6.704 3.237 1.00 0.00 C ATOM 536 O TRP A 61 11.314 5.654 2.799 1.00 0.00 O ATOM 537 CB TRP A 61 12.162 8.763 2.695 1.00 0.00 C ATOM 538 CG TRP A 61 12.349 9.085 4.147 1.00 0.00 C ATOM 539 CD1 TRP A 61 11.936 10.214 4.791 1.00 0.00 C ATOM 540 CD2 TRP A 61 12.994 8.272 5.134 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.284 10.155 6.119 1.00 0.00 N ATOM 542 CE2 TRP A 61 12.935 8.970 6.354 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.615 7.018 5.104 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.471 8.464 7.527 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.153 6.509 6.281 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.082 7.211 7.458 1.00 0.00 C ATOM 0 H TRP A 61 9.910 9.695 3.124 1.00 0.00 H new ATOM 0 HA TRP A 61 10.871 7.702 1.350 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.018 8.186 2.346 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.149 9.691 2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.412 11.035 4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.090 10.874 6.816 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.675 6.456 4.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.418 9.015 8.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.636 5.543 6.269 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.509 6.783 8.353 1.00 0.00 H new ATOM 557 N GLN A 62 10.284 6.802 4.436 1.00 0.00 N ATOM 558 CA GLN A 62 10.143 5.643 5.311 1.00 0.00 C ATOM 559 C GLN A 62 9.168 4.630 4.719 1.00 0.00 C ATOM 560 O GLN A 62 9.402 3.423 4.777 1.00 0.00 O ATOM 561 CB GLN A 62 9.664 6.073 6.701 1.00 0.00 C ATOM 562 CG GLN A 62 9.571 4.937 7.705 1.00 0.00 C ATOM 563 CD GLN A 62 10.920 4.308 7.998 1.00 0.00 C ATOM 564 OE1 GLN A 62 11.908 5.009 8.233 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.970 2.981 7.980 1.00 0.00 N ATOM 0 H GLN A 62 9.920 7.671 4.826 1.00 0.00 H new ATOM 0 HA GLN A 62 11.122 5.172 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.344 6.831 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.684 6.541 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.139 5.311 8.633 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.893 4.174 7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.128 2.442 7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.851 2.501 8.165 1.00 0.00 H new ATOM 574 N TRP A 63 8.075 5.130 4.154 1.00 0.00 N ATOM 575 CA TRP A 63 7.091 4.273 3.502 1.00 0.00 C ATOM 576 C TRP A 63 7.609 3.772 2.159 1.00 0.00 C ATOM 577 O TRP A 63 7.343 2.638 1.765 1.00 0.00 O ATOM 578 CB TRP A 63 5.776 5.028 3.307 1.00 0.00 C ATOM 579 CG TRP A 63 4.816 4.855 4.444 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.680 5.670 5.532 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.862 3.801 4.609 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.698 5.185 6.363 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.180 4.040 5.818 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.515 2.680 3.850 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.174 3.198 6.284 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.517 1.844 4.316 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.854 2.107 5.522 1.00 0.00 C ATOM 0 H TRP A 63 7.848 6.124 4.134 1.00 0.00 H new ATOM 0 HA TRP A 63 6.914 3.411 4.145 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.990 6.089 3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.303 4.686 2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.259 6.564 5.713 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.403 5.609 7.243 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.017 2.471 2.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.664 3.399 7.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.244 0.972 3.740 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.076 1.437 5.856 1.00 0.00 H new ATOM 598 N ALA A 64 8.352 4.626 1.461 1.00 0.00 N ATOM 599 CA ALA A 64 8.918 4.265 0.166 1.00 0.00 C ATOM 600 C ALA A 64 9.797 3.024 0.279 1.00 0.00 C ATOM 601 O ALA A 64 9.807 2.175 -0.612 1.00 0.00 O ATOM 602 CB ALA A 64 9.714 5.428 -0.404 1.00 0.00 C ATOM 0 H ALA A 64 8.576 5.572 1.770 1.00 0.00 H new ATOM 0 HA ALA A 64 8.096 4.036 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.131 5.145 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.059 6.290 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.524 5.684 0.279 1.00 0.00 H new ATOM 608 N SER A 65 10.535 2.924 1.381 1.00 0.00 N ATOM 609 CA SER A 65 11.500 1.847 1.560 1.00 0.00 C ATOM 610 C SER A 65 10.791 0.515 1.788 1.00 0.00 C ATOM 611 O SER A 65 11.301 -0.544 1.421 1.00 0.00 O ATOM 612 CB SER A 65 12.427 2.160 2.718 1.00 0.00 C ATOM 613 OG SER A 65 11.752 2.159 3.947 1.00 0.00 O ATOM 0 H SER A 65 10.482 3.577 2.163 1.00 0.00 H new ATOM 0 HA SER A 65 12.094 1.763 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.232 1.426 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.889 3.134 2.559 1.00 0.00 H new ATOM 0 HG SER A 65 10.960 2.733 3.886 1.00 0.00 H new ATOM 619 N ARG A 66 9.611 0.577 2.397 1.00 0.00 N ATOM 620 CA ARG A 66 8.856 -0.626 2.726 1.00 0.00 C ATOM 621 C ARG A 66 7.928 -1.018 1.581 1.00 0.00 C ATOM 622 O ARG A 66 7.644 -2.198 1.373 1.00 0.00 O ATOM 623 CB ARG A 66 8.099 -0.488 4.040 1.00 0.00 C ATOM 624 CG ARG A 66 6.941 0.497 4.008 1.00 0.00 C ATOM 625 CD ARG A 66 5.901 0.252 5.041 1.00 0.00 C ATOM 626 NE ARG A 66 6.406 0.199 6.403 1.00 0.00 N ATOM 627 CZ ARG A 66 6.498 1.261 7.227 1.00 0.00 C ATOM 628 NH1 ARG A 66 6.160 2.465 6.820 1.00 0.00 N ATOM 629 NH2 ARG A 66 6.962 1.067 8.449 1.00 0.00 N ATOM 0 H ARG A 66 9.157 1.448 2.673 1.00 0.00 H new ATOM 0 HA ARG A 66 9.576 -1.433 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.717 -1.467 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.799 -0.179 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.334 1.506 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.475 0.460 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.149 1.039 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.398 -0.689 4.816 1.00 0.00 H new ATOM 0 HE ARG A 66 6.712 -0.706 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.822 2.605 5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.236 3.258 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.239 0.132 8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.043 1.853 9.095 1.00 0.00 H new ATOM 643 N THR A 67 7.458 -0.020 0.840 1.00 0.00 N ATOM 644 CA THR A 67 6.527 -0.255 -0.256 1.00 0.00 C ATOM 645 C THR A 67 7.266 -0.542 -1.557 1.00 0.00 C ATOM 646 O THR A 67 6.665 -0.580 -2.630 1.00 0.00 O ATOM 647 CB THR A 67 5.587 0.947 -0.465 1.00 0.00 C ATOM 648 OG1 THR A 67 6.363 2.123 -0.728 1.00 0.00 O ATOM 649 CG2 THR A 67 4.729 1.175 0.772 1.00 0.00 C ATOM 0 H THR A 67 7.707 0.959 0.979 1.00 0.00 H new ATOM 0 HA THR A 67 5.933 -1.126 0.019 1.00 0.00 H new ATOM 0 HB THR A 67 4.935 0.737 -1.313 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.719 2.475 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.071 2.028 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.129 0.286 0.967 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.372 1.374 1.629 1.00 0.00 H new ATOM 657 N ASN A 68 8.577 -0.742 -1.454 1.00 0.00 N ATOM 658 CA ASN A 68 9.410 -0.971 -2.630 1.00 0.00 C ATOM 659 C ASN A 68 9.143 0.083 -3.698 1.00 0.00 C ATOM 660 O ASN A 68 8.832 -0.243 -4.845 1.00 0.00 O ATOM 661 CB ASN A 68 9.198 -2.363 -3.199 1.00 0.00 C ATOM 662 CG ASN A 68 10.254 -2.780 -4.185 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.352 -2.214 -4.225 1.00 0.00 O ATOM 664 ND2 ASN A 68 9.897 -3.710 -5.033 1.00 0.00 N ATOM 0 H ASN A 68 9.085 -0.750 -0.569 1.00 0.00 H new ATOM 0 HA ASN A 68 10.450 -0.891 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.175 -3.081 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.223 -2.403 -3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.538 -4.000 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.978 -4.145 -4.955 1.00 0.00 H new ATOM 671 N ASN A 69 9.268 1.350 -3.316 1.00 0.00 N ATOM 672 CA ASN A 69 9.003 2.454 -4.232 1.00 0.00 C ATOM 673 C ASN A 69 7.527 2.506 -4.611 1.00 0.00 C ATOM 674 O ASN A 69 7.177 2.838 -5.744 1.00 0.00 O ATOM 675 CB ASN A 69 9.865 2.363 -5.477 1.00 0.00 C ATOM 676 CG ASN A 69 10.046 3.677 -6.187 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.006 4.748 -5.570 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.159 3.605 -7.488 1.00 0.00 N ATOM 0 H ASN A 69 9.551 1.638 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 69 9.260 3.377 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.844 1.971 -5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.417 1.647 -6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.219 4.459 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.187 2.695 -7.948 1.00 0.00 H new ATOM 685 N PHE A 70 6.665 2.175 -3.656 1.00 0.00 N ATOM 686 CA PHE A 70 5.223 2.219 -3.877 1.00 0.00 C ATOM 687 C PHE A 70 4.843 1.453 -5.140 1.00 0.00 C ATOM 688 O PHE A 70 3.923 1.841 -5.862 1.00 0.00 O ATOM 689 CB PHE A 70 4.741 3.668 -3.972 1.00 0.00 C ATOM 690 CG PHE A 70 4.940 4.457 -2.709 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.049 4.342 -1.653 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.021 5.316 -2.573 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.230 5.067 -0.492 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.206 6.043 -1.412 1.00 0.00 C ATOM 695 CZ PHE A 70 5.310 5.918 -0.372 1.00 0.00 C ATOM 0 H PHE A 70 6.939 1.873 -2.721 1.00 0.00 H new ATOM 0 HA PHE A 70 4.735 1.742 -3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.269 4.164 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.682 3.673 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.203 3.677 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.727 5.418 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.527 4.968 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.052 6.708 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.453 6.485 0.536 1.00 0.00 H new ATOM 705 N LYS A 71 5.556 0.364 -5.402 1.00 0.00 N ATOM 706 CA LYS A 71 5.191 -0.551 -6.477 1.00 0.00 C ATOM 707 C LYS A 71 4.147 -1.557 -6.003 1.00 0.00 C ATOM 708 O LYS A 71 4.482 -2.575 -5.395 1.00 0.00 O ATOM 709 CB LYS A 71 6.427 -1.281 -7.004 1.00 0.00 C ATOM 710 CG LYS A 71 7.543 -0.362 -7.484 1.00 0.00 C ATOM 711 CD LYS A 71 7.168 0.333 -8.784 1.00 0.00 C ATOM 712 CE LYS A 71 7.184 -0.636 -9.956 1.00 0.00 C ATOM 713 NZ LYS A 71 8.570 -1.014 -10.347 1.00 0.00 N ATOM 0 H LYS A 71 6.392 0.093 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 71 4.760 0.036 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.817 -1.925 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.128 -1.930 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.756 0.384 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.456 -0.940 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.176 0.775 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.864 1.150 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.624 -1.533 -9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.677 -0.183 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.549 -1.521 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.150 -0.156 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.981 -1.630 -9.617 1.00 0.00 H new ATOM 727 N LEU A 72 2.883 -1.267 -6.285 1.00 0.00 N ATOM 728 CA LEU A 72 1.775 -1.977 -5.655 1.00 0.00 C ATOM 729 C LEU A 72 0.942 -2.720 -6.694 1.00 0.00 C ATOM 730 O LEU A 72 0.570 -2.159 -7.725 1.00 0.00 O ATOM 731 CB LEU A 72 0.897 -0.999 -4.864 1.00 0.00 C ATOM 732 CG LEU A 72 1.630 -0.185 -3.790 1.00 0.00 C ATOM 733 CD1 LEU A 72 0.722 0.916 -3.259 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.071 -1.109 -2.665 1.00 0.00 C ATOM 0 H LEU A 72 2.599 -0.544 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 72 2.190 -2.712 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.429 -0.308 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.094 -1.561 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 72 2.513 0.282 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.251 1.488 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.436 1.578 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.172 0.471 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.592 -0.530 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.197 -1.588 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.741 -1.872 -3.062 1.00 0.00 H new ATOM 746 N LEU A 73 0.651 -3.987 -6.415 1.00 0.00 N ATOM 747 CA LEU A 73 -0.164 -4.799 -7.312 1.00 0.00 C ATOM 748 C LEU A 73 -1.484 -5.182 -6.650 1.00 0.00 C ATOM 749 O LEU A 73 -1.579 -5.261 -5.424 1.00 0.00 O ATOM 750 CB LEU A 73 0.606 -6.055 -7.739 1.00 0.00 C ATOM 751 CG LEU A 73 1.881 -5.794 -8.550 1.00 0.00 C ATOM 752 CD1 LEU A 73 2.757 -7.040 -8.561 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.509 -5.385 -9.967 1.00 0.00 C ATOM 0 H LEU A 73 0.967 -4.473 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.389 -4.208 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.872 -6.620 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.058 -6.686 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 73 2.445 -4.984 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.660 -6.845 -9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.030 -7.302 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.208 -7.866 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.416 -5.200 -10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.937 -6.185 -10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.907 -4.477 -9.937 1.00 0.00 H new ATOM 765 N THR A 74 -2.503 -5.423 -7.471 1.00 0.00 N ATOM 766 CA THR A 74 -3.779 -5.922 -6.977 1.00 0.00 C ATOM 767 C THR A 74 -4.668 -6.389 -8.125 1.00 0.00 C ATOM 768 O THR A 74 -4.516 -5.941 -9.261 1.00 0.00 O ATOM 769 CB THR A 74 -4.528 -4.850 -6.164 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.723 -5.416 -5.609 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.895 -3.668 -7.048 1.00 0.00 C ATOM 0 H THR A 74 -2.468 -5.280 -8.480 1.00 0.00 H new ATOM 0 HA THR A 74 -3.556 -6.768 -6.326 1.00 0.00 H new ATOM 0 HB THR A 74 -3.876 -4.502 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.718 -5.302 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.424 -2.921 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.988 -3.228 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.537 -4.007 -7.861 1.00 0.00 H new ATOM 779 N ASP A 75 -5.593 -7.292 -7.820 1.00 0.00 N ATOM 780 CA ASP A 75 -6.598 -7.714 -8.790 1.00 0.00 C ATOM 781 C ASP A 75 -7.859 -8.203 -8.087 1.00 0.00 C ATOM 782 O ASP A 75 -7.943 -9.358 -7.669 1.00 0.00 O ATOM 783 CB ASP A 75 -6.039 -8.812 -9.700 1.00 0.00 C ATOM 784 CG ASP A 75 -6.977 -9.237 -10.821 1.00 0.00 C ATOM 785 OD1 ASP A 75 -8.106 -8.804 -10.822 1.00 0.00 O ATOM 786 OD2 ASP A 75 -6.519 -9.858 -11.749 1.00 0.00 O ATOM 0 H ASP A 75 -5.668 -7.746 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.859 -6.851 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.104 -8.463 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.800 -9.685 -9.092 1.00 0.00 H new ATOM 791 N GLY A 76 -8.841 -7.315 -7.955 1.00 0.00 N ATOM 792 CA GLY A 76 -10.060 -7.657 -7.247 1.00 0.00 C ATOM 793 C GLY A 76 -9.795 -8.150 -5.839 1.00 0.00 C ATOM 794 O GLY A 76 -10.633 -8.826 -5.243 1.00 0.00 O ATOM 0 H GLY A 76 -8.813 -6.365 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.710 -6.783 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.596 -8.426 -7.803 1.00 0.00 H new ATOM 798 N GLU A 77 -8.623 -7.816 -5.308 1.00 0.00 N ATOM 799 CA GLU A 77 -8.203 -8.322 -4.005 1.00 0.00 C ATOM 800 C GLU A 77 -7.490 -7.238 -3.204 1.00 0.00 C ATOM 801 O GLU A 77 -7.364 -6.099 -3.656 1.00 0.00 O ATOM 802 CB GLU A 77 -7.293 -9.542 -4.170 1.00 0.00 C ATOM 803 CG GLU A 77 -7.988 -10.772 -4.737 1.00 0.00 C ATOM 804 CD GLU A 77 -7.026 -11.917 -4.896 1.00 0.00 C ATOM 805 OE1 GLU A 77 -5.893 -11.776 -4.501 1.00 0.00 O ATOM 806 OE2 GLU A 77 -7.453 -12.971 -5.307 1.00 0.00 O ATOM 0 H GLU A 77 -7.948 -7.198 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.096 -8.623 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.463 -9.275 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.866 -9.796 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.804 -11.068 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.431 -10.529 -5.703 1.00 0.00 H new ATOM 813 N TRP A 78 -7.027 -7.599 -2.012 1.00 0.00 N ATOM 814 CA TRP A 78 -6.191 -6.707 -1.215 1.00 0.00 C ATOM 815 C TRP A 78 -4.937 -6.306 -1.982 1.00 0.00 C ATOM 816 O TRP A 78 -4.460 -7.047 -2.844 1.00 0.00 O ATOM 817 CB TRP A 78 -5.806 -7.381 0.103 1.00 0.00 C ATOM 818 CG TRP A 78 -4.785 -8.468 -0.063 1.00 0.00 C ATOM 819 CD1 TRP A 78 -4.520 -9.175 -1.200 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.900 -8.972 0.943 1.00 0.00 C ATOM 821 NE1 TRP A 78 -3.520 -10.088 -0.962 1.00 0.00 N ATOM 822 CE2 TRP A 78 -3.124 -9.983 0.345 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.686 -8.666 2.290 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -2.151 -10.689 1.048 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.720 -9.367 2.986 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.962 -10.368 2.367 1.00 0.00 C ATOM 0 H TRP A 78 -7.216 -8.502 -1.576 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.765 -5.805 -1.000 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.417 -6.628 0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.701 -7.800 0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.022 -9.038 -2.147 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.135 -10.738 -1.647 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.265 -7.896 2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.566 -11.462 0.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.546 -9.138 4.027 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.214 -10.897 2.939 1.00 0.00 H new ATOM 837 N VAL A 79 -4.405 -5.129 -1.667 1.00 0.00 N ATOM 838 CA VAL A 79 -3.209 -4.627 -2.332 1.00 0.00 C ATOM 839 C VAL A 79 -1.945 -5.123 -1.638 1.00 0.00 C ATOM 840 O VAL A 79 -1.848 -5.100 -0.412 1.00 0.00 O ATOM 841 CB VAL A 79 -3.189 -3.087 -2.374 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.901 -2.588 -3.009 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.396 -2.560 -3.136 1.00 0.00 C ATOM 0 H VAL A 79 -4.784 -4.505 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.234 -5.008 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.236 -2.714 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.904 -1.498 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.049 -2.937 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.825 -2.971 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.366 -1.471 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.377 -2.942 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.310 -2.889 -2.642 1.00 0.00 H new ATOM 853 N TRP A 80 -0.978 -5.571 -2.433 1.00 0.00 N ATOM 854 CA TRP A 80 0.300 -6.026 -1.898 1.00 0.00 C ATOM 855 C TRP A 80 1.461 -5.339 -2.607 1.00 0.00 C ATOM 856 O TRP A 80 1.309 -4.825 -3.715 1.00 0.00 O ATOM 857 CB TRP A 80 0.424 -7.546 -2.032 1.00 0.00 C ATOM 858 CG TRP A 80 0.499 -8.016 -3.453 1.00 0.00 C ATOM 859 CD1 TRP A 80 1.625 -8.153 -4.208 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.596 -8.413 -4.288 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.302 -8.609 -5.462 1.00 0.00 N ATOM 862 CE2 TRP A 80 -0.058 -8.777 -5.536 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.980 -8.494 -4.100 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.849 -9.214 -6.587 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.774 -8.933 -5.155 1.00 0.00 C ATOM 866 CH2 TRP A 80 -2.224 -9.282 -6.361 1.00 0.00 C ATOM 0 H TRP A 80 -1.055 -5.628 -3.448 1.00 0.00 H new ATOM 0 HA TRP A 80 0.339 -5.762 -0.841 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.315 -7.878 -1.500 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.431 -8.017 -1.546 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.627 -7.934 -3.869 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.965 -8.793 -6.215 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.424 -8.221 -3.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.420 -9.490 -7.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.844 -9.000 -5.021 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.872 -9.618 -7.157 1.00 0.00 H new ATOM 877 N VAL A 81 2.624 -5.335 -1.961 1.00 0.00 N ATOM 878 CA VAL A 81 3.808 -4.696 -2.522 1.00 0.00 C ATOM 879 C VAL A 81 4.585 -5.661 -3.411 1.00 0.00 C ATOM 880 O VAL A 81 4.929 -6.765 -2.991 1.00 0.00 O ATOM 881 CB VAL A 81 4.741 -4.166 -1.416 1.00 0.00 C ATOM 882 CG1 VAL A 81 5.976 -3.519 -2.025 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.006 -3.174 -0.529 1.00 0.00 C ATOM 0 H VAL A 81 2.770 -5.767 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 81 3.458 -3.856 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 81 5.059 -5.009 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.623 -3.150 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.516 -4.255 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.674 -2.687 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.680 -2.810 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.659 -2.334 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.151 -3.665 -0.065 1.00 0.00 H new ATOM 893 N GLU A 82 4.859 -5.235 -4.639 1.00 0.00 N ATOM 894 CA GLU A 82 5.651 -6.035 -5.565 1.00 0.00 C ATOM 895 C GLU A 82 6.998 -6.407 -4.950 1.00 0.00 C ATOM 896 O GLU A 82 7.733 -5.544 -4.472 1.00 0.00 O ATOM 897 CB GLU A 82 5.863 -5.281 -6.881 1.00 0.00 C ATOM 898 CG GLU A 82 6.623 -6.066 -7.940 1.00 0.00 C ATOM 899 CD GLU A 82 6.776 -5.270 -9.206 1.00 0.00 C ATOM 900 OE1 GLU A 82 6.266 -4.176 -9.263 1.00 0.00 O ATOM 901 OE2 GLU A 82 7.495 -5.704 -10.074 1.00 0.00 O ATOM 0 H GLU A 82 4.545 -4.341 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 82 5.101 -6.953 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.891 -4.998 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.403 -4.357 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.607 -6.338 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.096 -6.996 -8.154 1.00 0.00 H new ATOM 908 N GLY A 83 7.313 -7.699 -4.964 1.00 0.00 N ATOM 909 CA GLY A 83 8.582 -8.159 -4.432 1.00 0.00 C ATOM 910 C GLY A 83 8.452 -8.729 -3.033 1.00 0.00 C ATOM 911 O GLY A 83 9.326 -9.459 -2.569 1.00 0.00 O ATOM 0 H GLY A 83 6.712 -8.435 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.996 -8.920 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.289 -7.330 -4.419 1.00 0.00 H new ATOM 915 N TYR A 84 7.357 -8.392 -2.359 1.00 0.00 N ATOM 916 CA TYR A 84 7.108 -8.889 -1.011 1.00 0.00 C ATOM 917 C TYR A 84 5.937 -9.866 -0.997 1.00 0.00 C ATOM 918 O TYR A 84 5.333 -10.114 0.047 1.00 0.00 O ATOM 919 CB TYR A 84 6.835 -7.727 -0.053 1.00 0.00 C ATOM 920 CG TYR A 84 8.059 -6.897 0.267 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.978 -7.320 1.216 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.291 -5.691 -0.380 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.097 -6.566 1.511 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.407 -4.929 -0.092 1.00 0.00 C ATOM 925 CZ TYR A 84 10.307 -5.370 0.855 1.00 0.00 C ATOM 926 OH TYR A 84 11.421 -4.616 1.147 1.00 0.00 O ATOM 0 H TYR A 84 6.629 -7.778 -2.724 1.00 0.00 H new ATOM 0 HA TYR A 84 8.001 -9.418 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.073 -7.081 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.424 -8.123 0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.816 -8.254 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.587 -5.342 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.804 -6.911 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.573 -3.994 -0.606 1.00 0.00 H new ATOM 0 HH TYR A 84 11.420 -3.805 0.597 1.00 0.00 H new ATOM 936 N GLU A 85 5.623 -10.418 -2.165 1.00 0.00 N ATOM 937 CA GLU A 85 4.578 -11.432 -2.274 1.00 0.00 C ATOM 938 C GLU A 85 4.923 -12.660 -1.438 1.00 0.00 C ATOM 939 O GLU A 85 4.047 -13.444 -1.076 1.00 0.00 O ATOM 940 CB GLU A 85 4.367 -11.829 -3.737 1.00 0.00 C ATOM 941 CG GLU A 85 3.744 -10.741 -4.600 1.00 0.00 C ATOM 942 CD GLU A 85 3.707 -11.146 -6.048 1.00 0.00 C ATOM 943 OE1 GLU A 85 4.180 -12.213 -6.359 1.00 0.00 O ATOM 944 OE2 GLU A 85 3.108 -10.442 -6.825 1.00 0.00 O ATOM 0 H GLU A 85 6.076 -10.181 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 85 3.651 -11.005 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.328 -12.111 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.731 -12.713 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.732 -10.533 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.314 -9.818 -4.493 1.00 0.00 H new ATOM 951 N GLU A 86 6.210 -12.822 -1.140 1.00 0.00 N ATOM 952 CA GLU A 86 6.666 -13.932 -0.310 1.00 0.00 C ATOM 953 C GLU A 86 6.733 -13.523 1.159 1.00 0.00 C ATOM 954 O GLU A 86 7.121 -14.315 2.019 1.00 0.00 O ATOM 955 CB GLU A 86 8.032 -14.430 -0.785 1.00 0.00 C ATOM 956 CG GLU A 86 9.148 -13.399 -0.680 1.00 0.00 C ATOM 957 CD GLU A 86 10.426 -13.915 -1.281 1.00 0.00 C ATOM 958 OE1 GLU A 86 10.415 -14.996 -1.817 1.00 0.00 O ATOM 959 OE2 GLU A 86 11.386 -13.181 -1.303 1.00 0.00 O ATOM 0 H GLU A 86 6.953 -12.200 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 86 5.945 -14.744 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.309 -15.308 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.947 -14.752 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.848 -12.483 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.313 -13.144 0.367 1.00 0.00 H new ATOM 966 N HIS A 87 6.354 -12.280 1.437 1.00 0.00 N ATOM 967 CA HIS A 87 6.362 -11.766 2.803 1.00 0.00 C ATOM 968 C HIS A 87 4.945 -11.461 3.277 1.00 0.00 C ATOM 969 O HIS A 87 4.747 -10.920 4.364 1.00 0.00 O ATOM 970 CB HIS A 87 7.226 -10.508 2.891 1.00 0.00 C ATOM 971 CG HIS A 87 8.653 -10.731 2.497 1.00 0.00 C ATOM 972 ND1 HIS A 87 9.218 -10.904 1.280 1.00 0.00 N flip ATOM 973 CD2 HIS A 87 9.684 -10.800 3.412 1.00 0.00 C flip ATOM 974 CE1 HIS A 87 10.567 -11.070 1.479 1.00 0.00 C flip ATOM 975 NE2 HIS A 87 10.821 -11.002 2.773 1.00 0.00 N flip ATOM 0 H HIS A 87 6.038 -11.610 0.736 1.00 0.00 H new ATOM 0 HA HIS A 87 6.785 -12.533 3.452 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.797 -9.738 2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 87 7.195 -10.127 3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.577 -10.704 4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.301 -11.230 0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 87 11.740 -11.091 3.206 1.00 0.00 H new ATOM 983 N ILE A 88 3.962 -11.808 2.453 1.00 0.00 N ATOM 984 CA ILE A 88 2.566 -11.526 2.765 1.00 0.00 C ATOM 985 C ILE A 88 1.797 -12.810 3.056 1.00 0.00 C ATOM 986 O ILE A 88 2.198 -13.895 2.636 1.00 0.00 O ATOM 987 CB ILE A 88 1.872 -10.770 1.618 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.940 -11.584 0.324 1.00 0.00 C ATOM 989 CG2 ILE A 88 2.507 -9.401 1.423 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.124 -11.002 -0.808 1.00 0.00 C ATOM 0 H ILE A 88 4.107 -12.285 1.563 1.00 0.00 H new ATOM 0 HA ILE A 88 2.563 -10.896 3.654 1.00 0.00 H new ATOM 0 HB ILE A 88 0.824 -10.628 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.980 -11.659 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.594 -12.598 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.005 -8.880 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.409 -8.820 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.563 -9.521 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.223 -11.634 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.076 -10.952 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.484 -9.999 -1.038 1.00 0.00 H new ATOM 1002 N GLY A 89 0.688 -12.680 3.776 1.00 0.00 N ATOM 1003 CA GLY A 89 -0.031 -13.847 4.253 1.00 0.00 C ATOM 1004 C GLY A 89 0.605 -14.453 5.489 1.00 0.00 C ATOM 1005 O GLY A 89 0.242 -15.552 5.909 1.00 0.00 O ATOM 0 H GLY A 89 0.274 -11.786 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.061 -13.569 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.068 -14.596 3.462 1.00 0.00 H new ATOM 1009 N LYS A 90 1.559 -13.736 6.073 1.00 0.00 N ATOM 1010 CA LYS A 90 2.265 -14.219 7.255 1.00 0.00 C ATOM 1011 C LYS A 90 1.772 -13.507 8.511 1.00 0.00 C ATOM 1012 O LYS A 90 1.080 -12.493 8.429 1.00 0.00 O ATOM 1013 CB LYS A 90 3.773 -14.027 7.096 1.00 0.00 C ATOM 1014 CG LYS A 90 4.401 -14.871 5.996 1.00 0.00 C ATOM 1015 CD LYS A 90 5.881 -14.555 5.832 1.00 0.00 C ATOM 1016 CE LYS A 90 6.578 -15.595 4.967 1.00 0.00 C ATOM 1017 NZ LYS A 90 8.026 -15.298 4.798 1.00 0.00 N ATOM 0 H LYS A 90 1.862 -12.818 5.747 1.00 0.00 H new ATOM 0 HA LYS A 90 2.058 -15.284 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.974 -12.976 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.259 -14.265 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.277 -15.928 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.882 -14.690 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.996 -13.569 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.357 -14.516 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.460 -16.580 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.099 -15.633 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.573 -16.179 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.187 -14.877 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.332 -14.630 5.534 1.00 0.00 H new ATOM 1031 N GLN A 91 2.137 -14.044 9.671 1.00 0.00 N ATOM 1032 CA GLN A 91 1.748 -13.448 10.944 1.00 0.00 C ATOM 1033 C GLN A 91 2.703 -12.324 11.333 1.00 0.00 C ATOM 1034 O GLN A 91 3.316 -12.357 12.401 1.00 0.00 O ATOM 1035 CB GLN A 91 1.717 -14.509 12.049 1.00 0.00 C ATOM 1036 CG GLN A 91 3.015 -15.285 12.200 1.00 0.00 C ATOM 1037 CD GLN A 91 3.086 -16.482 11.271 1.00 0.00 C ATOM 1038 OE1 GLN A 91 2.794 -16.377 10.077 1.00 0.00 O ATOM 1039 NE2 GLN A 91 3.471 -17.630 11.816 1.00 0.00 N ATOM 0 H GLN A 91 2.701 -14.890 9.756 1.00 0.00 H new ATOM 0 HA GLN A 91 0.748 -13.031 10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.483 -14.024 12.997 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.909 -15.210 11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.857 -14.622 11.999 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.115 -15.623 13.231 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.703 -17.671 12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.535 -18.471 11.242 1.00 0.00 H new ATOM 1048 N LEU A 92 2.824 -11.330 10.460 1.00 0.00 N ATOM 1049 CA LEU A 92 3.745 -10.221 10.686 1.00 0.00 C ATOM 1050 C LEU A 92 3.015 -9.015 11.267 1.00 0.00 C ATOM 1051 O LEU A 92 1.814 -8.830 11.066 1.00 0.00 O ATOM 1052 CB LEU A 92 4.452 -9.841 9.379 1.00 0.00 C ATOM 1053 CG LEU A 92 5.267 -10.964 8.727 1.00 0.00 C ATOM 1054 CD1 LEU A 92 5.852 -10.485 7.405 1.00 0.00 C ATOM 1055 CD2 LEU A 92 6.370 -11.410 9.675 1.00 0.00 C ATOM 0 H LEU A 92 2.296 -11.269 9.589 1.00 0.00 H new ATOM 0 HA LEU A 92 4.495 -10.543 11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.703 -9.497 8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.116 -8.999 9.575 1.00 0.00 H new ATOM 0 HG LEU A 92 4.616 -11.814 8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.429 -11.290 6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.044 -10.193 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.502 -9.629 7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.949 -12.208 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.025 -10.567 9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.928 -11.775 10.602 1.00 0.00 H new ATOM 1067 N PRO A 93 3.754 -8.173 12.003 1.00 0.00 N ATOM 1068 CA PRO A 93 3.224 -6.918 12.545 1.00 0.00 C ATOM 1069 C PRO A 93 2.939 -5.892 11.453 1.00 0.00 C ATOM 1070 O PRO A 93 3.126 -6.163 10.266 1.00 0.00 O ATOM 1071 CB PRO A 93 4.343 -6.426 13.463 1.00 0.00 C ATOM 1072 CG PRO A 93 5.586 -7.024 12.901 1.00 0.00 C ATOM 1073 CD PRO A 93 5.190 -8.371 12.362 1.00 0.00 C ATOM 0 HA PRO A 93 2.272 -7.064 13.055 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.397 -5.337 13.473 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.180 -6.746 14.492 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.000 -6.395 12.113 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.354 -7.121 13.668 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.789 -8.652 11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.316 -9.158 13.106 1.00 0.00 H new ATOM 1081 N LEU A 94 2.488 -4.711 11.862 1.00 0.00 N ATOM 1082 CA LEU A 94 2.123 -3.662 10.916 1.00 0.00 C ATOM 1083 C LEU A 94 3.367 -2.989 10.346 1.00 0.00 C ATOM 1084 O LEU A 94 3.313 -2.345 9.299 1.00 0.00 O ATOM 1085 CB LEU A 94 1.216 -2.627 11.592 1.00 0.00 C ATOM 1086 CG LEU A 94 -0.157 -3.151 12.032 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -0.917 -2.062 12.777 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -0.938 -3.617 10.813 1.00 0.00 C ATOM 0 H LEU A 94 2.366 -4.456 12.842 1.00 0.00 H new ATOM 0 HA LEU A 94 1.576 -4.120 10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.733 -2.230 12.466 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.066 -1.794 10.905 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.024 -3.997 12.707 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.890 -2.443 13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.350 -1.760 13.658 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.055 -1.202 12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.913 -3.989 11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.072 -2.782 10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.389 -4.415 10.312 1.00 0.00 H new ATOM 1100 N ASN A 95 4.491 -3.144 11.040 1.00 0.00 N ATOM 1101 CA ASN A 95 5.766 -2.633 10.555 1.00 0.00 C ATOM 1102 C ASN A 95 6.351 -3.554 9.489 1.00 0.00 C ATOM 1103 O ASN A 95 6.971 -3.094 8.529 1.00 0.00 O ATOM 1104 CB ASN A 95 6.757 -2.443 11.690 1.00 0.00 C ATOM 1105 CG ASN A 95 6.413 -1.304 12.608 1.00 0.00 C ATOM 1106 OD1 ASN A 95 5.677 -0.382 12.241 1.00 0.00 O ATOM 1107 ND2 ASN A 95 7.008 -1.321 13.776 1.00 0.00 N ATOM 0 H ASN A 95 4.543 -3.620 11.941 1.00 0.00 H new ATOM 0 HA ASN A 95 5.577 -1.658 10.106 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.811 -3.363 12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.748 -2.273 11.270 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.872 -0.549 14.429 1.00 0.00 H new ATOM 0 HD22 ASN A 95 7.607 -2.106 14.032 1.00 0.00 H new ATOM 1114 N GLN A 96 6.148 -4.855 9.663 1.00 0.00 N ATOM 1115 CA GLN A 96 6.635 -5.840 8.705 1.00 0.00 C ATOM 1116 C GLN A 96 5.518 -6.286 7.766 1.00 0.00 C ATOM 1117 O GLN A 96 5.643 -7.295 7.073 1.00 0.00 O ATOM 1118 CB GLN A 96 7.220 -7.054 9.431 1.00 0.00 C ATOM 1119 CG GLN A 96 8.339 -6.721 10.401 1.00 0.00 C ATOM 1120 CD GLN A 96 9.543 -6.110 9.708 1.00 0.00 C ATOM 1121 OE1 GLN A 96 9.986 -6.593 8.662 1.00 0.00 O ATOM 1122 NE2 GLN A 96 10.082 -5.044 10.291 1.00 0.00 N ATOM 0 H GLN A 96 5.649 -5.252 10.459 1.00 0.00 H new ATOM 0 HA GLN A 96 7.420 -5.370 8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.421 -7.557 9.975 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.595 -7.760 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.967 -6.028 11.156 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.645 -7.627 10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.682 -4.679 11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.895 -4.591 9.874 1.00 0.00 H new ATOM 1131 N ALA A 97 4.427 -5.528 7.751 1.00 0.00 N ATOM 1132 CA ALA A 97 3.332 -5.785 6.825 1.00 0.00 C ATOM 1133 C ALA A 97 3.664 -5.271 5.427 1.00 0.00 C ATOM 1134 O ALA A 97 4.282 -4.218 5.273 1.00 0.00 O ATOM 1135 CB ALA A 97 2.049 -5.144 7.333 1.00 0.00 C ATOM 0 H ALA A 97 4.278 -4.731 8.370 1.00 0.00 H new ATOM 0 HA ALA A 97 3.187 -6.864 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.240 -5.344 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.795 -5.561 8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.192 -4.067 7.425 1.00 0.00 H new ATOM 1141 N ARG A 98 3.249 -6.022 4.413 1.00 0.00 N ATOM 1142 CA ARG A 98 3.564 -5.681 3.030 1.00 0.00 C ATOM 1143 C ARG A 98 2.334 -5.825 2.141 1.00 0.00 C ATOM 1144 O ARG A 98 2.450 -6.006 0.929 1.00 0.00 O ATOM 1145 CB ARG A 98 4.740 -6.485 2.494 1.00 0.00 C ATOM 1146 CG ARG A 98 6.055 -6.257 3.222 1.00 0.00 C ATOM 1147 CD ARG A 98 6.635 -4.903 3.033 1.00 0.00 C ATOM 1148 NE ARG A 98 7.936 -4.712 3.652 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.127 -4.301 4.921 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.108 -3.999 5.696 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.368 -4.183 5.359 1.00 0.00 N ATOM 0 H ARG A 98 2.694 -6.871 4.522 1.00 0.00 H new ATOM 0 HA ARG A 98 3.870 -4.635 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.491 -7.545 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.878 -6.242 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.900 -6.427 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.778 -6.999 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.723 -4.705 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.942 -4.165 3.438 1.00 0.00 H new ATOM 0 HE ARG A 98 8.763 -4.903 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.156 -4.074 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.270 -3.689 6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.150 -4.401 4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.544 -3.874 6.315 1.00 0.00 H new ATOM 1165 N ALA A 99 1.155 -5.743 2.751 1.00 0.00 N ATOM 1166 CA ALA A 99 -0.096 -5.841 2.009 1.00 0.00 C ATOM 1167 C ALA A 99 -1.267 -5.332 2.843 1.00 0.00 C ATOM 1168 O ALA A 99 -1.278 -5.469 4.066 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.341 -7.279 1.577 1.00 0.00 C ATOM 0 H ALA A 99 1.041 -5.609 3.756 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.015 -5.215 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.278 -7.338 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.478 -7.612 0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.398 -7.919 2.458 1.00 0.00 H new ATOM 1175 N TRP A 100 -2.252 -4.741 2.174 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.416 -4.187 2.856 1.00 0.00 C ATOM 1177 C TRP A 100 -4.675 -4.371 2.018 1.00 0.00 C ATOM 1178 O TRP A 100 -4.606 -4.496 0.794 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.198 -2.704 3.164 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.898 -2.419 3.851 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.708 -2.223 5.187 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.608 -2.300 3.239 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.380 -1.987 5.446 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.316 -2.032 4.264 1.00 0.00 C ATOM 1185 CE3 TRP A 100 -0.145 -2.397 1.921 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.670 -1.856 4.018 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.211 -2.222 1.675 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.092 -1.959 2.693 1.00 0.00 C ATOM 0 H TRP A 100 -2.267 -4.633 1.160 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.547 -4.726 3.795 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.239 -2.138 2.233 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.016 -2.347 3.790 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.488 -2.249 5.933 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.023 -1.808 6.366 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.829 -2.604 1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.366 -1.648 4.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.579 -2.294 0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.139 -1.828 2.462 1.00 0.00 H new ATOM 1199 N SER A 101 -5.826 -4.387 2.683 1.00 0.00 N ATOM 1200 CA SER A 101 -7.089 -4.680 2.018 1.00 0.00 C ATOM 1201 C SER A 101 -7.754 -3.398 1.525 1.00 0.00 C ATOM 1202 O SER A 101 -7.615 -2.339 2.138 1.00 0.00 O ATOM 1203 CB SER A 101 -8.015 -5.431 2.956 1.00 0.00 C ATOM 1204 OG SER A 101 -9.299 -5.583 2.418 1.00 0.00 O ATOM 0 H SER A 101 -5.909 -4.200 3.682 1.00 0.00 H new ATOM 0 HA SER A 101 -6.882 -5.309 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.594 -6.413 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.080 -4.898 3.904 1.00 0.00 H new ATOM 0 HG SER A 101 -9.815 -6.205 2.973 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.476 -3.501 0.416 1.00 0.00 N ATOM 1211 CA TRP A 102 -9.332 -2.415 -0.044 1.00 0.00 C ATOM 1212 C TRP A 102 -10.349 -2.032 1.027 1.00 0.00 C ATOM 1213 O TRP A 102 -10.804 -0.891 1.083 1.00 0.00 O ATOM 1214 CB TRP A 102 -10.051 -2.808 -1.335 1.00 0.00 C ATOM 1215 CG TRP A 102 -9.202 -2.659 -2.562 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.721 -3.663 -3.347 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.737 -1.435 -3.143 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.982 -3.142 -4.381 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.979 -1.773 -4.278 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.889 -0.083 -2.812 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.376 -0.819 -5.081 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -8.284 0.875 -3.619 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.549 0.517 -4.720 1.00 0.00 C ATOM 0 H TRP A 102 -8.486 -4.327 -0.182 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.699 -1.550 -0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -10.383 -3.843 -1.256 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.945 -2.194 -1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.895 -4.716 -3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.512 -3.684 -5.107 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.465 0.210 -1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.797 -1.098 -5.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.395 1.921 -3.374 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.093 1.289 -5.322 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.701 -2.996 1.872 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.577 -2.731 3.008 1.00 0.00 C ATOM 1236 C GLU A 103 -10.899 -1.803 4.013 1.00 0.00 C ATOM 1237 O GLU A 103 -11.559 -1.015 4.689 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.983 -4.040 3.690 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.933 -4.905 2.873 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.215 -6.210 3.564 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.639 -6.449 4.599 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.087 -6.918 3.119 1.00 0.00 O ATOM 0 H GLU A 103 -10.394 -3.965 1.792 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.474 -2.237 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.084 -4.616 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.453 -3.807 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.868 -4.368 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.500 -5.097 1.891 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.577 -1.903 4.106 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.800 -1.017 4.963 1.00 0.00 C ATOM 1251 C PHE A 104 -8.546 0.320 4.272 1.00 0.00 C ATOM 1252 O PHE A 104 -8.654 1.381 4.889 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.475 -1.674 5.351 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.620 -0.826 6.252 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.889 -0.742 7.609 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.546 -0.113 5.741 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -6.104 0.038 8.437 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.759 0.666 6.567 1.00 0.00 C ATOM 1259 CZ PHE A 104 -5.039 0.741 7.916 1.00 0.00 C ATOM 0 H PHE A 104 -9.021 -2.590 3.597 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.376 -0.831 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.682 -2.622 5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.915 -1.904 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.721 -1.292 8.024 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.322 -0.167 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.325 0.097 9.492 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.925 1.216 6.157 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.425 1.350 8.563 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.204 0.262 2.990 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.911 1.466 2.221 1.00 0.00 C ATOM 1271 C ILE A 105 -9.106 2.413 2.206 1.00 0.00 C ATOM 1272 O ILE A 105 -8.958 3.620 2.397 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.515 1.128 0.772 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -6.169 0.402 0.742 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.462 2.391 -0.073 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.832 -0.206 -0.602 1.00 0.00 C ATOM 0 H ILE A 105 -8.123 -0.606 2.461 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.070 1.956 2.711 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.272 0.466 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.382 1.103 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.175 -0.386 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.181 2.134 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.442 2.868 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.725 3.077 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.864 -0.703 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.597 -0.933 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.792 0.579 -1.357 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.292 1.858 1.980 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.508 2.656 1.900 1.00 0.00 C ATOM 1290 C LYS A 106 -11.875 3.227 3.267 1.00 0.00 C ATOM 1291 O LYS A 106 -12.311 4.373 3.375 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.664 1.820 1.349 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.557 1.502 -0.136 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.661 0.553 -0.578 1.00 0.00 C ATOM 1295 CE LYS A 106 -15.024 1.226 -0.529 1.00 0.00 C ATOM 1296 NZ LYS A 106 -16.107 0.329 -1.014 1.00 0.00 N ATOM 0 H LYS A 106 -10.436 0.857 1.849 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.322 3.487 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.718 0.884 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.599 2.352 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.615 2.425 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.585 1.056 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.461 0.207 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.665 -0.327 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.240 1.534 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.003 2.131 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.019 0.827 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.916 0.055 -1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.145 -0.523 -0.419 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.694 2.422 4.308 1.00 0.00 N ATOM 1311 CA ASN A 107 -12.002 2.848 5.667 1.00 0.00 C ATOM 1312 C ASN A 107 -11.191 4.082 6.047 1.00 0.00 C ATOM 1313 O ASN A 107 -11.727 5.049 6.587 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.763 1.731 6.668 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.835 0.676 6.663 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.945 0.892 6.164 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.535 -0.434 7.288 1.00 0.00 N ATOM 0 H ASN A 107 -11.335 1.470 4.236 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.061 3.105 5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.803 1.262 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.692 2.160 7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.233 -1.172 7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.603 -0.562 7.682 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.892 4.041 5.762 1.00 0.00 N ATOM 1325 CA ARG A 108 -9.008 5.161 6.061 1.00 0.00 C ATOM 1326 C ARG A 108 -9.202 6.291 5.054 1.00 0.00 C ATOM 1327 O ARG A 108 -9.116 7.469 5.401 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.550 4.735 6.151 1.00 0.00 C ATOM 1329 CG ARG A 108 -7.244 3.734 7.255 1.00 0.00 C ATOM 1330 CD ARG A 108 -7.443 4.260 8.631 1.00 0.00 C ATOM 1331 NE ARG A 108 -7.065 3.337 9.689 1.00 0.00 N ATOM 1332 CZ ARG A 108 -7.291 3.544 11.000 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -7.855 4.654 11.425 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -6.907 2.611 11.855 1.00 0.00 N ATOM 0 H ARG A 108 -9.430 3.244 5.325 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.283 5.537 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.253 4.303 5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.936 5.622 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.876 2.857 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.211 3.402 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.865 5.178 8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.492 4.527 8.756 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.596 2.472 9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.129 5.375 10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.019 4.794 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.453 1.763 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.065 2.739 12.855 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.462 5.923 3.803 1.00 0.00 N ATOM 1349 CA LEU A 109 -9.712 6.904 2.753 1.00 0.00 C ATOM 1350 C LEU A 109 -10.897 7.794 3.112 1.00 0.00 C ATOM 1351 O LEU A 109 -10.852 9.011 2.930 1.00 0.00 O ATOM 1352 CB LEU A 109 -9.957 6.200 1.414 1.00 0.00 C ATOM 1353 CG LEU A 109 -10.236 7.131 0.227 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.083 8.111 0.051 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -10.437 6.304 -1.033 1.00 0.00 C ATOM 0 H LEU A 109 -9.505 4.953 3.492 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.829 7.536 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.086 5.589 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.802 5.521 1.528 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.144 7.702 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.290 8.768 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.972 8.708 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.162 7.559 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.635 6.967 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.538 5.722 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.282 5.630 -0.895 1.00 0.00 H new ATOM 1367 N LYS A 110 -11.958 7.181 3.624 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.171 7.911 3.976 1.00 0.00 C ATOM 1369 C LYS A 110 -12.874 8.990 5.012 1.00 0.00 C ATOM 1370 O LYS A 110 -13.556 10.013 5.069 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.241 6.954 4.502 1.00 0.00 C ATOM 1372 CG LYS A 110 -14.946 6.145 3.423 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.934 5.158 4.027 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.656 4.365 2.948 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.623 3.391 3.525 1.00 0.00 N ATOM 0 H LYS A 110 -12.003 6.178 3.805 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.547 8.394 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.780 6.267 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.986 7.528 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.470 6.819 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.208 5.606 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.407 4.474 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.662 5.695 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.184 5.051 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.925 3.833 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.093 2.872 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.116 2.720 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.336 3.900 4.085 1.00 0.00 H new ATOM 1389 N GLU A 111 -11.850 8.755 5.829 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.468 9.706 6.866 1.00 0.00 C ATOM 1391 C GLU A 111 -11.156 11.073 6.263 1.00 0.00 C ATOM 1392 O GLU A 111 -11.350 12.106 6.906 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.262 9.187 7.652 1.00 0.00 C ATOM 1394 CG GLU A 111 -10.548 7.961 8.508 1.00 0.00 C ATOM 1395 CD GLU A 111 -9.300 7.459 9.178 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.252 8.002 8.923 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -9.409 6.607 10.028 1.00 0.00 O ATOM 0 H GLU A 111 -11.272 7.916 5.792 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.310 9.816 7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.463 8.947 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.892 9.986 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.294 8.208 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.972 7.172 7.887 1.00 0.00 H new ATOM 1404 N LEU A 112 -10.672 11.072 5.028 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.332 12.311 4.336 1.00 0.00 C ATOM 1406 C LEU A 112 -11.054 12.402 2.994 1.00 0.00 C ATOM 1407 O LEU A 112 -10.815 13.320 2.212 1.00 0.00 O ATOM 1408 CB LEU A 112 -8.820 12.402 4.123 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.222 11.410 3.126 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -6.930 11.957 2.540 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.980 10.065 3.793 1.00 0.00 C ATOM 0 H LEU A 112 -10.505 10.226 4.483 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.655 13.146 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.580 13.411 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.328 12.260 5.085 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.934 11.267 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.518 11.238 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.133 12.896 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.212 12.130 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.554 9.371 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.288 10.191 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.925 9.668 4.164 1.00 0.00 H new ATOM 1423 N ASN A 113 -11.936 11.443 2.736 1.00 0.00 N ATOM 1424 CA ASN A 113 -12.637 11.372 1.460 1.00 0.00 C ATOM 1425 C ASN A 113 -14.050 10.825 1.645 1.00 0.00 C ATOM 1426 O ASN A 113 -14.431 9.836 1.018 1.00 0.00 O ATOM 1427 CB ASN A 113 -11.875 10.534 0.451 1.00 0.00 C ATOM 1428 CG ASN A 113 -12.448 10.589 -0.938 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -13.091 11.571 -1.328 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -12.289 9.509 -1.659 1.00 0.00 N ATOM 0 H ASN A 113 -12.182 10.704 3.394 1.00 0.00 H new ATOM 0 HA ASN A 113 -12.705 12.387 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -10.839 10.872 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -11.863 9.498 0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -12.705 9.451 -2.589 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -11.749 8.725 -1.292 1.00 0.00 H new ATOM 1437 N LEU A 114 -14.822 11.476 2.507 1.00 0.00 N ATOM 1438 CA LEU A 114 -16.220 11.109 2.711 1.00 0.00 C ATOM 1439 C LEU A 114 -17.054 12.332 3.080 1.00 0.00 C ATOM 1440 O LEU A 114 -16.543 13.297 3.645 1.00 0.00 O ATOM 1441 CB LEU A 114 -16.335 10.034 3.799 1.00 0.00 C ATOM 1442 CG LEU A 114 -17.766 9.598 4.138 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -18.386 8.875 2.950 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -17.747 8.702 5.367 1.00 0.00 C ATOM 1445 OXT LEU A 114 -18.225 12.360 2.818 1.00 0.00 O ATOM 0 H LEU A 114 -14.505 12.261 3.076 1.00 0.00 H new ATOM 0 HA LEU A 114 -16.607 10.703 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -15.771 9.157 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -15.861 10.407 4.707 1.00 0.00 H new ATOM 0 HG LEU A 114 -18.373 10.477 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -19.402 8.569 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -18.410 9.543 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -17.791 7.994 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -18.764 8.393 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -17.138 7.821 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -17.326 9.250 6.210 1.00 0.00 H new TER 1457 LEU A 114