USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=12 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 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 135:sc= -1.25 USER MOD Single : A 44 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.24) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -116:sc=-0.00696 (180deg=-0.229) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 59 ASN : amide: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= -0.0654 X(o=-0.065,f=-0.23) USER MOD Single : A 65 SER OG : rot -20:sc= 0.448 USER MOD Single : A 67 THR OG1 : rot -73:sc= 0.68 USER MOD Single : A 68 ASN : amide:sc= 0.838 K(o=0.84,f=-2) USER MOD Single : A 69 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 71 LYS NZ :NH3+ -130:sc= 0.123 (180deg=-0.182) USER MOD Single : A 74 THR OG1 : rot 121:sc= 0.236 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.3) USER MOD Single : A 90 LYS NZ :NH3+ -173:sc=-0.00345 (180deg=-0.0915) USER MOD Single : A 91 GLN : amide:sc= -0.0985 X(o=-0.098,f=-0.57) USER MOD Single : A 95 ASN : amide:sc=-0.00735 K(o=-0.0073,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= -0.0685 X(o=-0.068,f=-0.27) USER MOD Single : A 101 SER OG : rot 180:sc= 0.16 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.795 K(o=-0.79,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -0.408 -17.063 -10.716 1.00 0.00 N ATOM 2 CA GLY A 29 -1.115 -16.769 -9.484 1.00 0.00 C ATOM 3 C GLY A 29 -2.618 -16.912 -9.632 1.00 0.00 C ATOM 4 O GLY A 29 -3.382 -16.317 -8.870 1.00 0.00 O ATOM 0 HA2 GLY A 29 -0.765 -17.439 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.879 -15.753 -9.166 1.00 0.00 H new ATOM 10 N SER A 30 -3.042 -17.699 -10.614 1.00 0.00 N ATOM 11 CA SER A 30 -4.373 -18.296 -10.593 1.00 0.00 C ATOM 12 C SER A 30 -4.299 -19.779 -10.245 1.00 0.00 C ATOM 13 O SER A 30 -3.338 -20.462 -10.600 1.00 0.00 O ATOM 14 CB SER A 30 -5.057 -18.097 -11.932 1.00 0.00 C ATOM 15 OG SER A 30 -4.389 -18.764 -12.968 1.00 0.00 O ATOM 0 H SER A 30 -2.485 -17.939 -11.434 1.00 0.00 H new ATOM 0 HA SER A 30 -4.961 -17.798 -9.822 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.084 -18.458 -11.872 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.106 -17.032 -12.159 1.00 0.00 H new ATOM 0 HG SER A 30 -4.862 -18.612 -13.813 1.00 0.00 H new ATOM 21 N GLU A 31 -5.319 -20.270 -9.551 1.00 0.00 N ATOM 22 CA GLU A 31 -5.621 -21.698 -9.541 1.00 0.00 C ATOM 23 C GLU A 31 -6.825 -22.004 -10.427 1.00 0.00 C ATOM 24 O GLU A 31 -7.924 -22.255 -9.933 1.00 0.00 O ATOM 25 CB GLU A 31 -5.877 -22.183 -8.113 1.00 0.00 C ATOM 26 CG GLU A 31 -4.683 -22.048 -7.178 1.00 0.00 C ATOM 27 CD GLU A 31 -5.016 -22.527 -5.793 1.00 0.00 C ATOM 28 OE1 GLU A 31 -6.125 -22.956 -5.586 1.00 0.00 O ATOM 29 OE2 GLU A 31 -4.130 -22.570 -4.972 1.00 0.00 O ATOM 0 H GLU A 31 -5.951 -19.701 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.757 -22.229 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.714 -21.622 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.180 -23.230 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.844 -22.622 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.366 -21.006 -7.138 1.00 0.00 H new ATOM 36 N GLU A 32 -6.608 -21.984 -11.739 1.00 0.00 N ATOM 37 CA GLU A 32 -7.697 -22.141 -12.694 1.00 0.00 C ATOM 38 C GLU A 32 -7.172 -22.126 -14.128 1.00 0.00 C ATOM 39 O GLU A 32 -5.965 -22.221 -14.359 1.00 0.00 O ATOM 40 CB GLU A 32 -8.743 -21.040 -12.504 1.00 0.00 C ATOM 41 CG GLU A 32 -8.177 -19.627 -12.514 1.00 0.00 C ATOM 42 CD GLU A 32 -9.237 -18.611 -12.192 1.00 0.00 C ATOM 43 OE1 GLU A 32 -10.348 -19.003 -11.930 1.00 0.00 O ATOM 44 OE2 GLU A 32 -8.910 -17.451 -12.097 1.00 0.00 O ATOM 0 H GLU A 32 -5.689 -21.861 -12.163 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.168 -23.107 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.490 -21.125 -13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.259 -21.205 -11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.367 -19.553 -11.789 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.749 -19.411 -13.493 1.00 0.00 H new ATOM 51 N LYS A 33 -8.083 -22.006 -15.084 1.00 0.00 N ATOM 52 CA LYS A 33 -7.729 -21.570 -16.431 1.00 0.00 C ATOM 53 C LYS A 33 -8.503 -20.314 -16.817 1.00 0.00 C ATOM 54 O LYS A 33 -8.859 -20.127 -17.982 1.00 0.00 O ATOM 55 CB LYS A 33 -7.991 -22.685 -17.443 1.00 0.00 C ATOM 56 CG LYS A 33 -7.081 -23.897 -17.295 1.00 0.00 C ATOM 57 CD LYS A 33 -7.357 -24.933 -18.374 1.00 0.00 C ATOM 58 CE LYS A 33 -6.549 -26.201 -18.145 1.00 0.00 C ATOM 59 NZ LYS A 33 -6.838 -27.238 -19.172 1.00 0.00 N ATOM 0 H LYS A 33 -9.075 -22.204 -14.953 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.665 -21.334 -16.440 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.027 -23.010 -17.347 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.876 -22.280 -18.449 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.039 -23.581 -17.350 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.226 -24.345 -16.312 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.420 -25.174 -18.386 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.114 -24.516 -19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.486 -25.961 -18.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.771 -26.599 -17.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.267 -28.086 -18.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.848 -27.486 -19.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.602 -26.868 -20.115 1.00 0.00 H new ATOM 73 N GLU A 34 -8.761 -19.456 -15.834 1.00 0.00 N ATOM 74 CA GLU A 34 -9.048 -18.053 -16.104 1.00 0.00 C ATOM 75 C GLU A 34 -7.825 -17.184 -15.831 1.00 0.00 C ATOM 76 O GLU A 34 -6.825 -17.654 -15.290 1.00 0.00 O ATOM 77 CB GLU A 34 -10.233 -17.577 -15.260 1.00 0.00 C ATOM 78 CG GLU A 34 -11.534 -18.322 -15.524 1.00 0.00 C ATOM 79 CD GLU A 34 -11.982 -18.149 -16.948 1.00 0.00 C ATOM 80 OE1 GLU A 34 -12.142 -17.028 -17.369 1.00 0.00 O ATOM 81 OE2 GLU A 34 -12.058 -19.130 -17.649 1.00 0.00 O ATOM 0 H GLU A 34 -8.777 -19.708 -14.846 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.307 -17.959 -17.159 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.977 -17.681 -14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.393 -16.515 -15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.399 -19.382 -15.309 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.308 -17.956 -14.850 1.00 0.00 H new ATOM 88 N GLU A 35 -7.910 -15.913 -16.213 1.00 0.00 N ATOM 89 CA GLU A 35 -6.932 -14.920 -15.786 1.00 0.00 C ATOM 90 C GLU A 35 -7.601 -13.802 -14.994 1.00 0.00 C ATOM 91 O GLU A 35 -8.494 -13.118 -15.496 1.00 0.00 O ATOM 92 CB GLU A 35 -6.192 -14.342 -16.994 1.00 0.00 C ATOM 93 CG GLU A 35 -5.353 -15.354 -17.762 1.00 0.00 C ATOM 94 CD GLU A 35 -4.644 -14.711 -18.920 1.00 0.00 C ATOM 95 OE1 GLU A 35 -4.823 -13.534 -19.121 1.00 0.00 O ATOM 96 OE2 GLU A 35 -3.836 -15.367 -19.535 1.00 0.00 O ATOM 0 H GLU A 35 -8.646 -15.547 -16.817 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.210 -15.416 -15.137 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.921 -13.902 -17.674 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.544 -13.534 -16.655 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.622 -15.807 -17.092 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.993 -16.158 -18.126 1.00 0.00 H new ATOM 103 N LYS A 36 -7.163 -13.620 -13.753 1.00 0.00 N ATOM 104 CA LYS A 36 -7.667 -12.538 -12.915 1.00 0.00 C ATOM 105 C LYS A 36 -6.561 -11.539 -12.592 1.00 0.00 C ATOM 106 O LYS A 36 -6.562 -10.914 -11.532 1.00 0.00 O ATOM 107 CB LYS A 36 -8.268 -13.094 -11.623 1.00 0.00 C ATOM 108 CG LYS A 36 -9.510 -13.952 -11.826 1.00 0.00 C ATOM 109 CD LYS A 36 -10.058 -14.456 -10.499 1.00 0.00 C ATOM 110 CE LYS A 36 -11.236 -15.396 -10.706 1.00 0.00 C ATOM 111 NZ LYS A 36 -11.787 -15.890 -9.416 1.00 0.00 N ATOM 0 H LYS A 36 -6.460 -14.208 -13.305 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.448 -12.019 -13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.511 -13.687 -11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.520 -12.262 -10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.275 -13.371 -12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.268 -14.800 -12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.270 -14.973 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.369 -13.609 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.019 -14.879 -11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.921 -16.244 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.588 -16.527 -9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.047 -16.405 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.112 -15.083 -8.846 1.00 0.00 H new ATOM 125 N LYS A 37 -5.614 -11.393 -13.514 1.00 0.00 N ATOM 126 CA LYS A 37 -4.307 -10.833 -13.190 1.00 0.00 C ATOM 127 C LYS A 37 -4.453 -9.491 -12.477 1.00 0.00 C ATOM 128 O LYS A 37 -5.513 -8.867 -12.519 1.00 0.00 O ATOM 129 CB LYS A 37 -3.464 -10.670 -14.454 1.00 0.00 C ATOM 130 CG LYS A 37 -2.059 -10.136 -14.209 1.00 0.00 C ATOM 131 CD LYS A 37 -1.254 -10.080 -15.500 1.00 0.00 C ATOM 132 CE LYS A 37 0.142 -9.528 -15.258 1.00 0.00 C ATOM 133 NZ LYS A 37 0.931 -9.441 -16.517 1.00 0.00 N ATOM 0 H LYS A 37 -5.728 -11.655 -14.493 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.800 -11.526 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.390 -11.636 -14.954 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.982 -9.996 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.118 -9.139 -13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.547 -10.772 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.183 -11.079 -15.930 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.773 -9.456 -16.228 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.068 -8.538 -14.807 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.665 -10.165 -14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.876 -9.060 -16.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.024 -10.389 -16.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.445 -8.813 -17.189 1.00 0.00 H new ATOM 147 N VAL A 38 -3.382 -9.054 -11.824 1.00 0.00 N ATOM 148 CA VAL A 38 -3.419 -7.838 -11.020 1.00 0.00 C ATOM 149 C VAL A 38 -3.413 -6.595 -11.905 1.00 0.00 C ATOM 150 O VAL A 38 -3.202 -6.682 -13.114 1.00 0.00 O ATOM 151 CB VAL A 38 -2.227 -7.769 -10.049 1.00 0.00 C ATOM 152 CG1 VAL A 38 -2.279 -8.921 -9.057 1.00 0.00 C ATOM 153 CG2 VAL A 38 -0.914 -7.775 -10.817 1.00 0.00 C ATOM 0 H VAL A 38 -2.477 -9.524 -11.836 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.344 -7.867 -10.444 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.290 -6.836 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.428 -8.856 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.205 -8.867 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.241 -9.868 -9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.082 -7.726 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.840 -8.690 -11.404 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.878 -6.913 -11.483 1.00 0.00 H new ATOM 163 N ARG A 39 -3.646 -5.439 -11.291 1.00 0.00 N ATOM 164 CA ARG A 39 -3.644 -4.175 -12.018 1.00 0.00 C ATOM 165 C ARG A 39 -2.242 -3.574 -12.061 1.00 0.00 C ATOM 166 O ARG A 39 -1.355 -3.992 -11.318 1.00 0.00 O ATOM 167 CB ARG A 39 -4.659 -3.189 -11.460 1.00 0.00 C ATOM 168 CG ARG A 39 -6.093 -3.696 -11.427 1.00 0.00 C ATOM 169 CD ARG A 39 -6.677 -3.965 -12.765 1.00 0.00 C ATOM 170 NE ARG A 39 -6.771 -2.797 -13.626 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.790 -1.916 -13.613 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.820 -2.085 -12.813 1.00 0.00 N ATOM 173 NH2 ARG A 39 -7.740 -0.890 -14.443 1.00 0.00 N ATOM 0 H ARG A 39 -3.838 -5.352 -10.293 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.950 -4.389 -13.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.361 -2.918 -10.447 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.625 -2.278 -12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.129 -4.612 -10.837 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.714 -2.962 -10.913 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.074 -4.722 -13.265 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.674 -4.386 -12.635 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.011 -2.633 -14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.855 -2.892 -12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.584 -1.409 -12.815 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.944 -0.781 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.497 -0.207 -14.456 1.00 0.00 H new ATOM 187 N GLU A 40 -2.052 -2.590 -12.935 1.00 0.00 N ATOM 188 CA GLU A 40 -0.727 -2.028 -13.173 1.00 0.00 C ATOM 189 C GLU A 40 -0.454 -0.860 -12.230 1.00 0.00 C ATOM 190 O GLU A 40 -1.277 -0.534 -11.374 1.00 0.00 O ATOM 191 CB GLU A 40 -0.592 -1.574 -14.629 1.00 0.00 C ATOM 192 CG GLU A 40 -1.492 -0.407 -15.010 1.00 0.00 C ATOM 193 CD GLU A 40 -1.364 -0.073 -16.471 1.00 0.00 C ATOM 194 OE1 GLU A 40 -0.294 0.303 -16.883 1.00 0.00 O ATOM 195 OE2 GLU A 40 -2.304 -0.300 -17.195 1.00 0.00 O ATOM 0 H GLU A 40 -2.797 -2.166 -13.489 1.00 0.00 H new ATOM 0 HA GLU A 40 0.011 -2.806 -12.978 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.445 -1.293 -14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.815 -2.418 -15.282 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.529 -0.654 -14.781 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.233 0.466 -14.411 1.00 0.00 H new ATOM 202 N LEU A 41 0.708 -0.236 -12.391 1.00 0.00 N ATOM 203 CA LEU A 41 1.063 0.935 -11.599 1.00 0.00 C ATOM 204 C LEU A 41 0.850 2.217 -12.397 1.00 0.00 C ATOM 205 O LEU A 41 1.745 2.673 -13.112 1.00 0.00 O ATOM 206 CB LEU A 41 2.518 0.835 -11.124 1.00 0.00 C ATOM 207 CG LEU A 41 2.731 0.033 -9.834 1.00 0.00 C ATOM 208 CD1 LEU A 41 1.869 0.606 -8.717 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.391 -1.428 -10.081 1.00 0.00 C ATOM 0 H LEU A 41 1.420 -0.522 -13.063 1.00 0.00 H new ATOM 0 HA LEU A 41 0.411 0.967 -10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.112 0.381 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.904 1.843 -10.974 1.00 0.00 H new ATOM 0 HG LEU A 41 3.776 0.103 -9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.026 0.031 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.144 1.646 -8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.819 0.552 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.543 -1.997 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.350 -1.512 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.037 -1.824 -10.865 1.00 0.00 H new ATOM 221 N THR A 42 -0.338 2.797 -12.270 1.00 0.00 N ATOM 222 CA THR A 42 -0.609 4.118 -12.825 1.00 0.00 C ATOM 223 C THR A 42 -0.434 5.204 -11.770 1.00 0.00 C ATOM 224 O THR A 42 -0.466 4.946 -10.567 1.00 0.00 O ATOM 225 CB THR A 42 -2.033 4.206 -13.407 1.00 0.00 C ATOM 226 OG1 THR A 42 -2.991 4.019 -12.359 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.239 3.142 -14.474 1.00 0.00 C ATOM 0 H THR A 42 -1.130 2.373 -11.787 1.00 0.00 H new ATOM 0 HA THR A 42 0.111 4.275 -13.628 1.00 0.00 H new ATOM 0 HB THR A 42 -2.166 5.189 -13.859 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.700 4.691 -12.440 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.250 3.219 -14.874 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.518 3.289 -15.278 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.097 2.154 -14.035 1.00 0.00 H new ATOM 235 N PRO A 43 -0.247 6.450 -12.229 1.00 0.00 N ATOM 236 CA PRO A 43 -0.163 7.616 -11.343 1.00 0.00 C ATOM 237 C PRO A 43 -1.484 7.907 -10.641 1.00 0.00 C ATOM 238 O PRO A 43 -1.502 8.387 -9.508 1.00 0.00 O ATOM 239 CB PRO A 43 0.201 8.758 -12.294 1.00 0.00 C ATOM 240 CG PRO A 43 -0.249 8.293 -13.635 1.00 0.00 C ATOM 241 CD PRO A 43 -0.046 6.802 -13.645 1.00 0.00 C ATOM 0 HA PRO A 43 0.558 7.466 -10.539 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.297 9.685 -12.009 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.273 8.956 -12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.296 8.546 -13.805 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.327 8.771 -14.427 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.761 6.298 -14.295 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.950 6.529 -13.995 1.00 0.00 H new ATOM 249 N GLN A 44 -2.588 7.612 -11.321 1.00 0.00 N ATOM 250 CA GLN A 44 -3.914 7.836 -10.757 1.00 0.00 C ATOM 251 C GLN A 44 -4.207 6.837 -9.642 1.00 0.00 C ATOM 252 O GLN A 44 -4.773 7.195 -8.610 1.00 0.00 O ATOM 253 CB GLN A 44 -4.985 7.728 -11.846 1.00 0.00 C ATOM 254 CG GLN A 44 -6.389 8.058 -11.371 1.00 0.00 C ATOM 255 CD GLN A 44 -6.520 9.493 -10.898 1.00 0.00 C ATOM 256 OE1 GLN A 44 -6.037 10.422 -11.552 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.171 9.684 -9.757 1.00 0.00 N ATOM 0 H GLN A 44 -2.590 7.218 -12.262 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.934 8.842 -10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.724 8.398 -12.665 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.978 6.715 -12.248 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.095 7.881 -12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.662 7.385 -10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.554 8.887 -9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.288 10.628 -9.388 1.00 0.00 H new ATOM 266 N GLU A 45 -3.818 5.585 -9.859 1.00 0.00 N ATOM 267 CA GLU A 45 -4.079 4.526 -8.891 1.00 0.00 C ATOM 268 C GLU A 45 -3.207 4.698 -7.649 1.00 0.00 C ATOM 269 O GLU A 45 -3.648 4.440 -6.529 1.00 0.00 O ATOM 270 CB GLU A 45 -3.838 3.152 -9.519 1.00 0.00 C ATOM 271 CG GLU A 45 -4.878 2.742 -10.553 1.00 0.00 C ATOM 272 CD GLU A 45 -6.256 2.707 -9.954 1.00 0.00 C ATOM 273 OE1 GLU A 45 -6.430 2.068 -8.945 1.00 0.00 O ATOM 274 OE2 GLU A 45 -7.112 3.407 -10.443 1.00 0.00 O ATOM 0 H GLU A 45 -3.321 5.279 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.124 4.594 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.855 3.148 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.815 2.403 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.860 3.442 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.628 1.760 -10.954 1.00 0.00 H new ATOM 281 N LEU A 46 -1.969 5.132 -7.859 1.00 0.00 N ATOM 282 CA LEU A 46 -1.016 5.279 -6.765 1.00 0.00 C ATOM 283 C LEU A 46 -1.360 6.488 -5.901 1.00 0.00 C ATOM 284 O LEU A 46 -1.159 6.472 -4.687 1.00 0.00 O ATOM 285 CB LEU A 46 0.411 5.403 -7.317 1.00 0.00 C ATOM 286 CG LEU A 46 1.524 4.977 -6.351 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.880 5.094 -7.032 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.471 5.841 -5.100 1.00 0.00 C ATOM 0 H LEU A 46 -1.602 5.388 -8.776 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.074 4.389 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.487 4.800 -8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.582 6.439 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 46 1.377 3.936 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.663 4.789 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.903 4.449 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.047 6.127 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.262 5.537 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.610 6.887 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.503 5.719 -4.614 1.00 0.00 H new ATOM 300 N GLU A 47 -1.880 7.533 -6.536 1.00 0.00 N ATOM 301 CA GLU A 47 -2.257 8.748 -5.824 1.00 0.00 C ATOM 302 C GLU A 47 -3.302 8.448 -4.752 1.00 0.00 C ATOM 303 O GLU A 47 -3.195 8.911 -3.616 1.00 0.00 O ATOM 304 CB GLU A 47 -2.788 9.800 -6.800 1.00 0.00 C ATOM 305 CG GLU A 47 -3.169 11.124 -6.151 1.00 0.00 C ATOM 306 CD GLU A 47 -3.632 12.121 -7.177 1.00 0.00 C ATOM 307 OE1 GLU A 47 -3.634 11.792 -8.339 1.00 0.00 O ATOM 308 OE2 GLU A 47 -4.091 13.171 -6.791 1.00 0.00 O ATOM 0 H GLU A 47 -2.050 7.563 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.366 9.143 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.031 9.987 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.661 9.395 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.959 10.959 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.312 11.526 -5.610 1.00 0.00 H new ATOM 315 N LEU A 48 -4.314 7.670 -5.122 1.00 0.00 N ATOM 316 CA LEU A 48 -5.411 7.357 -4.213 1.00 0.00 C ATOM 317 C LEU A 48 -4.926 6.495 -3.052 1.00 0.00 C ATOM 318 O LEU A 48 -5.494 6.529 -1.960 1.00 0.00 O ATOM 319 CB LEU A 48 -6.533 6.638 -4.964 1.00 0.00 C ATOM 320 CG LEU A 48 -6.355 5.130 -5.152 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.932 4.373 -3.966 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.010 4.674 -6.448 1.00 0.00 C ATOM 0 H LEU A 48 -4.397 7.245 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.795 8.294 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.468 6.810 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.637 7.097 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.288 4.913 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.796 3.302 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.418 4.679 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.995 4.595 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.874 3.599 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.075 4.904 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.551 5.192 -7.290 1.00 0.00 H new ATOM 334 N PHE A 49 -3.873 5.723 -3.296 1.00 0.00 N ATOM 335 CA PHE A 49 -3.302 4.861 -2.267 1.00 0.00 C ATOM 336 C PHE A 49 -2.607 5.688 -1.189 1.00 0.00 C ATOM 337 O PHE A 49 -2.890 5.545 0.001 1.00 0.00 O ATOM 338 CB PHE A 49 -2.310 3.875 -2.888 1.00 0.00 C ATOM 339 CG PHE A 49 -1.604 3.018 -1.878 1.00 0.00 C ATOM 340 CD1 PHE A 49 -2.163 1.825 -1.449 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.380 3.406 -1.357 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.515 1.035 -0.519 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.274 2.619 -0.426 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.295 1.432 -0.007 1.00 0.00 C ATOM 0 H PHE A 49 -3.397 5.676 -4.197 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.116 4.303 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.841 3.232 -3.590 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.569 4.431 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.116 1.509 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.069 4.333 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.962 0.108 -0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.228 2.932 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.213 0.815 0.720 1.00 0.00 H new ATOM 354 N LYS A 50 -1.692 6.555 -1.614 1.00 0.00 N ATOM 355 CA LYS A 50 -0.981 7.432 -0.692 1.00 0.00 C ATOM 356 C LYS A 50 -1.920 8.478 -0.102 1.00 0.00 C ATOM 357 O LYS A 50 -1.734 8.924 1.030 1.00 0.00 O ATOM 358 CB LYS A 50 0.194 8.113 -1.398 1.00 0.00 C ATOM 359 CG LYS A 50 -0.213 9.147 -2.441 1.00 0.00 C ATOM 360 CD LYS A 50 1.005 9.805 -3.070 1.00 0.00 C ATOM 361 CE LYS A 50 0.599 10.849 -4.100 1.00 0.00 C ATOM 362 NZ LYS A 50 1.782 11.466 -4.762 1.00 0.00 N ATOM 0 H LYS A 50 -1.426 6.668 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.593 6.821 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.821 8.597 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.805 7.349 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.812 8.669 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.841 9.907 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.610 10.273 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.627 9.046 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.039 10.387 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.008 11.626 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.463 12.171 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.378 11.929 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.333 10.729 -5.246 1.00 0.00 H new ATOM 376 N ARG A 51 -2.928 8.866 -0.878 1.00 0.00 N ATOM 377 CA ARG A 51 -3.893 9.864 -0.433 1.00 0.00 C ATOM 378 C ARG A 51 -4.762 9.316 0.695 1.00 0.00 C ATOM 379 O ARG A 51 -5.015 9.999 1.686 1.00 0.00 O ATOM 380 CB ARG A 51 -4.738 10.399 -1.580 1.00 0.00 C ATOM 381 CG ARG A 51 -5.675 11.537 -1.207 1.00 0.00 C ATOM 382 CD ARG A 51 -6.468 12.073 -2.343 1.00 0.00 C ATOM 383 NE ARG A 51 -5.680 12.736 -3.370 1.00 0.00 N ATOM 384 CZ ARG A 51 -5.228 14.003 -3.290 1.00 0.00 C ATOM 385 NH1 ARG A 51 -5.516 14.759 -2.254 1.00 0.00 N ATOM 386 NH2 ARG A 51 -4.508 14.474 -4.293 1.00 0.00 N ATOM 0 H ARG A 51 -3.097 8.504 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.327 10.710 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.073 10.740 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.329 9.580 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.360 11.190 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.089 12.348 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.022 11.254 -2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.203 12.778 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.453 12.204 -4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.089 14.389 -1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.166 15.716 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.308 13.882 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.152 15.429 -4.261 1.00 0.00 H new ATOM 400 N ALA A 52 -5.218 8.077 0.537 1.00 0.00 N ATOM 401 CA ALA A 52 -6.048 7.432 1.545 1.00 0.00 C ATOM 402 C ALA A 52 -5.218 7.015 2.755 1.00 0.00 C ATOM 403 O ALA A 52 -5.673 7.114 3.894 1.00 0.00 O ATOM 404 CB ALA A 52 -6.761 6.226 0.951 1.00 0.00 C ATOM 0 H ALA A 52 -5.025 7.500 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.794 8.152 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.377 5.754 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.393 6.548 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.024 5.510 0.587 1.00 0.00 H new ATOM 410 N MET A 53 -4.002 6.548 2.499 1.00 0.00 N ATOM 411 CA MET A 53 -3.115 6.100 3.567 1.00 0.00 C ATOM 412 C MET A 53 -2.659 7.277 4.424 1.00 0.00 C ATOM 413 O MET A 53 -2.182 7.094 5.543 1.00 0.00 O ATOM 414 CB MET A 53 -1.906 5.371 2.980 1.00 0.00 C ATOM 415 CG MET A 53 -1.017 4.695 4.015 1.00 0.00 C ATOM 416 SD MET A 53 -1.866 3.383 4.913 1.00 0.00 S ATOM 417 CE MET A 53 -1.995 2.130 3.640 1.00 0.00 C ATOM 0 H MET A 53 -3.607 6.469 1.562 1.00 0.00 H new ATOM 0 HA MET A 53 -3.668 5.409 4.203 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.258 4.619 2.274 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.307 6.084 2.414 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.139 4.281 3.519 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.659 5.442 4.724 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.045 1.951 3.411 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.480 2.470 2.741 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.538 1.205 3.992 1.00 0.00 H new ATOM 427 N GLY A 54 -2.809 8.485 3.889 1.00 0.00 N ATOM 428 CA GLY A 54 -2.373 9.671 4.604 1.00 0.00 C ATOM 429 C GLY A 54 -0.866 9.834 4.591 1.00 0.00 C ATOM 430 O GLY A 54 -0.273 10.274 5.577 1.00 0.00 O ATOM 0 H GLY A 54 -3.224 8.664 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.835 10.551 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.721 9.618 5.636 1.00 0.00 H new ATOM 434 N ILE A 55 -0.244 9.479 3.471 1.00 0.00 N ATOM 435 CA ILE A 55 1.208 9.513 3.361 1.00 0.00 C ATOM 436 C ILE A 55 1.728 10.947 3.393 1.00 0.00 C ATOM 437 O ILE A 55 1.360 11.772 2.557 1.00 0.00 O ATOM 438 CB ILE A 55 1.694 8.829 2.069 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.260 7.361 2.048 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.205 8.942 1.943 1.00 0.00 C ATOM 441 CD1 ILE A 55 1.812 6.544 3.194 1.00 0.00 C ATOM 0 H ILE A 55 -0.724 9.165 2.628 1.00 0.00 H new ATOM 0 HA ILE A 55 1.601 8.967 4.218 1.00 0.00 H new ATOM 0 HB ILE A 55 1.241 9.335 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.171 7.314 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.578 6.911 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.531 8.453 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.490 9.994 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.678 8.460 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.461 5.516 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.901 6.559 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.473 6.967 4.139 1.00 0.00 H new ATOM 453 N THR A 56 2.589 11.237 4.364 1.00 0.00 N ATOM 454 CA THR A 56 3.186 12.561 4.488 1.00 0.00 C ATOM 455 C THR A 56 4.623 12.567 3.987 1.00 0.00 C ATOM 456 O THR A 56 5.277 11.527 3.892 1.00 0.00 O ATOM 457 CB THR A 56 3.157 13.059 5.945 1.00 0.00 C ATOM 458 OG1 THR A 56 3.959 12.195 6.763 1.00 0.00 O ATOM 459 CG2 THR A 56 1.732 13.076 6.477 1.00 0.00 C ATOM 0 H THR A 56 2.889 10.572 5.077 1.00 0.00 H new ATOM 0 HA THR A 56 2.589 13.234 3.872 1.00 0.00 H new ATOM 0 HB THR A 56 3.555 14.073 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.942 12.513 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.733 13.431 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.123 13.741 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.318 12.068 6.440 1.00 0.00 H new ATOM 467 N PRO A 57 5.133 13.763 3.658 1.00 0.00 N ATOM 468 CA PRO A 57 6.516 13.938 3.203 1.00 0.00 C ATOM 469 C PRO A 57 7.527 13.666 4.312 1.00 0.00 C ATOM 470 O PRO A 57 8.725 13.539 4.055 1.00 0.00 O ATOM 471 CB PRO A 57 6.567 15.395 2.732 1.00 0.00 C ATOM 472 CG PRO A 57 5.485 16.073 3.500 1.00 0.00 C ATOM 473 CD PRO A 57 4.387 15.051 3.630 1.00 0.00 C ATOM 0 HA PRO A 57 6.782 13.233 2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.539 15.844 2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.399 15.471 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.840 16.395 4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.133 16.964 2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.803 15.199 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.691 15.097 2.792 1.00 0.00 H new ATOM 481 N HIS A 58 7.040 13.576 5.545 1.00 0.00 N ATOM 482 CA HIS A 58 7.903 13.327 6.693 1.00 0.00 C ATOM 483 C HIS A 58 8.298 11.855 6.767 1.00 0.00 C ATOM 484 O HIS A 58 9.405 11.519 7.183 1.00 0.00 O ATOM 485 CB HIS A 58 7.214 13.752 7.993 1.00 0.00 C ATOM 486 CG HIS A 58 7.010 15.231 8.110 1.00 0.00 C ATOM 487 ND1 HIS A 58 8.058 16.120 8.231 1.00 0.00 N ATOM 488 CD2 HIS A 58 5.880 15.978 8.124 1.00 0.00 C ATOM 489 CE1 HIS A 58 7.580 17.349 8.314 1.00 0.00 C ATOM 490 NE2 HIS A 58 6.263 17.290 8.253 1.00 0.00 N ATOM 0 H HIS A 58 6.051 13.672 5.775 1.00 0.00 H new ATOM 0 HA HIS A 58 8.807 13.923 6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.247 13.254 8.061 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.809 13.408 8.839 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.867 15.610 8.048 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.168 18.250 8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.632 18.090 8.295 1.00 0.00 H new ATOM 498 N ASN A 59 7.385 10.981 6.356 1.00 0.00 N ATOM 499 CA ASN A 59 7.650 9.546 6.340 1.00 0.00 C ATOM 500 C ASN A 59 7.512 8.984 4.928 1.00 0.00 C ATOM 501 O ASN A 59 7.210 7.804 4.747 1.00 0.00 O ATOM 502 CB ASN A 59 6.738 8.801 7.297 1.00 0.00 C ATOM 503 CG ASN A 59 6.946 9.168 8.741 1.00 0.00 C ATOM 504 OD1 ASN A 59 7.964 8.820 9.351 1.00 0.00 O ATOM 505 ND2 ASN A 59 5.952 9.796 9.313 1.00 0.00 N ATOM 0 H ASN A 59 6.454 11.241 6.029 1.00 0.00 H new ATOM 0 HA ASN A 59 8.677 9.400 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.701 9.001 7.026 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.898 7.729 7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.995 10.020 10.307 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.134 10.062 8.765 1.00 0.00 H new ATOM 512 N TYR A 60 7.733 9.835 3.934 1.00 0.00 N ATOM 513 CA TYR A 60 7.648 9.420 2.539 1.00 0.00 C ATOM 514 C TYR A 60 8.814 8.509 2.168 1.00 0.00 C ATOM 515 O TYR A 60 8.671 7.603 1.349 1.00 0.00 O ATOM 516 CB TYR A 60 7.620 10.642 1.616 1.00 0.00 C ATOM 517 CG TYR A 60 7.477 10.299 0.150 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.253 9.907 -0.374 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.565 10.370 -0.706 1.00 0.00 C ATOM 520 CE1 TYR A 60 6.117 9.593 -1.712 1.00 0.00 C ATOM 521 CE2 TYR A 60 8.440 10.059 -2.046 1.00 0.00 C ATOM 522 CZ TYR A 60 7.214 9.671 -2.545 1.00 0.00 C ATOM 523 OH TYR A 60 7.084 9.361 -3.881 1.00 0.00 O ATOM 0 H TYR A 60 7.973 10.817 4.068 1.00 0.00 H new ATOM 0 HA TYR A 60 6.721 8.861 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.793 11.289 1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.537 11.213 1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.392 9.846 0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.526 10.674 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.158 9.288 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.298 10.119 -2.700 1.00 0.00 H new ATOM 0 HH TYR A 60 7.950 9.468 -4.327 1.00 0.00 H new ATOM 533 N TRP A 61 9.966 8.757 2.780 1.00 0.00 N ATOM 534 CA TRP A 61 11.152 7.941 2.537 1.00 0.00 C ATOM 535 C TRP A 61 11.019 6.577 3.207 1.00 0.00 C ATOM 536 O TRP A 61 11.330 5.550 2.606 1.00 0.00 O ATOM 537 CB TRP A 61 12.407 8.656 3.043 1.00 0.00 C ATOM 538 CG TRP A 61 12.799 9.838 2.210 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.649 11.153 2.539 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.403 9.814 0.911 1.00 0.00 C ATOM 541 NE1 TRP A 61 13.123 11.950 1.526 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.592 11.150 0.515 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.804 8.790 0.046 1.00 0.00 C ATOM 544 CZ2 TRP A 61 14.160 11.492 -0.702 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.375 9.131 -1.176 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.548 10.444 -1.538 1.00 0.00 C ATOM 0 H TRP A 61 10.105 9.515 3.448 1.00 0.00 H new ATOM 0 HA TRP A 61 11.243 7.789 1.461 1.00 0.00 H new ATOM 0 HB2 TRP A 61 12.240 8.984 4.069 1.00 0.00 H new ATOM 0 HB3 TRP A 61 13.235 7.947 3.066 1.00 0.00 H new ATOM 0 HD1 TRP A 61 12.220 11.515 3.462 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.126 12.970 1.525 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.673 7.754 0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.296 12.524 -0.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.688 8.349 -1.852 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.996 10.672 -2.494 1.00 0.00 H new ATOM 557 N GLN A 62 10.557 6.577 4.453 1.00 0.00 N ATOM 558 CA GLN A 62 10.313 5.334 5.177 1.00 0.00 C ATOM 559 C GLN A 62 9.283 4.476 4.451 1.00 0.00 C ATOM 560 O GLN A 62 9.462 3.267 4.301 1.00 0.00 O ATOM 561 CB GLN A 62 9.832 5.627 6.602 1.00 0.00 C ATOM 562 CG GLN A 62 9.639 4.389 7.460 1.00 0.00 C ATOM 563 CD GLN A 62 10.940 3.649 7.710 1.00 0.00 C ATOM 564 OE1 GLN A 62 11.963 4.257 8.041 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.910 2.332 7.549 1.00 0.00 N ATOM 0 H GLN A 62 10.344 7.423 4.982 1.00 0.00 H new ATOM 0 HA GLN A 62 11.253 4.785 5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.553 6.284 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.889 6.171 6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.199 4.677 8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.931 3.719 6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.042 1.871 7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.755 1.780 7.700 1.00 0.00 H new ATOM 574 N TRP A 63 8.205 5.108 4.002 1.00 0.00 N ATOM 575 CA TRP A 63 7.148 4.402 3.286 1.00 0.00 C ATOM 576 C TRP A 63 7.614 3.988 1.895 1.00 0.00 C ATOM 577 O TRP A 63 7.173 2.972 1.361 1.00 0.00 O ATOM 578 CB TRP A 63 5.901 5.281 3.178 1.00 0.00 C ATOM 579 CG TRP A 63 4.914 5.050 4.283 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.854 5.704 5.479 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.846 4.096 4.292 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.814 5.214 6.232 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.180 4.227 5.525 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.388 3.144 3.376 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.080 3.443 5.865 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.296 2.366 3.715 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.653 2.520 4.949 1.00 0.00 C ATOM 0 H TRP A 63 8.039 6.107 4.121 1.00 0.00 H new ATOM 0 HA TRP A 63 6.902 3.502 3.849 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.202 6.329 3.182 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.415 5.093 2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.525 6.491 5.789 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.556 5.533 7.166 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.878 3.019 2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.582 3.559 6.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 1.933 1.627 3.016 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.802 1.897 5.183 1.00 0.00 H new ATOM 598 N ALA A 64 8.509 4.781 1.316 1.00 0.00 N ATOM 599 CA ALA A 64 9.084 4.460 0.015 1.00 0.00 C ATOM 600 C ALA A 64 9.862 3.151 0.066 1.00 0.00 C ATOM 601 O ALA A 64 9.702 2.287 -0.796 1.00 0.00 O ATOM 602 CB ALA A 64 9.981 5.593 -0.458 1.00 0.00 C ATOM 0 H ALA A 64 8.852 5.650 1.726 1.00 0.00 H new ATOM 0 HA ALA A 64 8.267 4.337 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.404 5.341 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.396 6.509 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.787 5.743 0.260 1.00 0.00 H new ATOM 608 N SER A 65 10.711 3.012 1.079 1.00 0.00 N ATOM 609 CA SER A 65 11.494 1.795 1.259 1.00 0.00 C ATOM 610 C SER A 65 10.610 0.641 1.718 1.00 0.00 C ATOM 611 O SER A 65 10.943 -0.528 1.525 1.00 0.00 O ATOM 612 CB SER A 65 12.613 2.034 2.253 1.00 0.00 C ATOM 613 OG SER A 65 12.126 2.283 3.544 1.00 0.00 O ATOM 0 H SER A 65 10.874 3.727 1.788 1.00 0.00 H new ATOM 0 HA SER A 65 11.931 1.524 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.270 1.164 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.216 2.880 1.924 1.00 0.00 H new ATOM 0 HG SER A 65 11.188 2.561 3.492 1.00 0.00 H new ATOM 619 N ARG A 66 9.478 0.979 2.329 1.00 0.00 N ATOM 620 CA ARG A 66 8.544 -0.028 2.819 1.00 0.00 C ATOM 621 C ARG A 66 7.724 -0.614 1.674 1.00 0.00 C ATOM 622 O ARG A 66 7.438 -1.812 1.649 1.00 0.00 O ATOM 623 CB ARG A 66 7.654 0.507 3.932 1.00 0.00 C ATOM 624 CG ARG A 66 6.753 -0.530 4.582 1.00 0.00 C ATOM 625 CD ARG A 66 5.806 0.025 5.584 1.00 0.00 C ATOM 626 NE ARG A 66 6.442 0.651 6.732 1.00 0.00 N ATOM 627 CZ ARG A 66 5.833 1.520 7.564 1.00 0.00 C ATOM 628 NH1 ARG A 66 4.590 1.896 7.359 1.00 0.00 N ATOM 629 NH2 ARG A 66 6.528 2.004 8.578 1.00 0.00 N ATOM 0 H ARG A 66 9.186 1.942 2.496 1.00 0.00 H new ATOM 0 HA ARG A 66 9.134 -0.834 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.286 0.952 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.032 1.306 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.184 -1.039 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.375 -1.283 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.167 0.759 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.158 -0.777 5.936 1.00 0.00 H new ATOM 0 HE ARG A 66 7.417 0.417 6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.071 1.529 6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.144 2.554 7.998 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.498 1.718 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.095 2.663 9.225 1.00 0.00 H new ATOM 643 N THR A 67 7.348 0.239 0.727 1.00 0.00 N ATOM 644 CA THR A 67 6.457 -0.163 -0.353 1.00 0.00 C ATOM 645 C THR A 67 7.241 -0.515 -1.612 1.00 0.00 C ATOM 646 O THR A 67 6.674 -0.621 -2.698 1.00 0.00 O ATOM 647 CB THR A 67 5.438 0.943 -0.687 1.00 0.00 C ATOM 648 OG1 THR A 67 6.134 2.149 -1.030 1.00 0.00 O ATOM 649 CG2 THR A 67 4.530 1.208 0.505 1.00 0.00 C ATOM 0 H THR A 67 7.647 1.213 0.686 1.00 0.00 H new ATOM 0 HA THR A 67 5.920 -1.045 -0.005 1.00 0.00 H new ATOM 0 HB THR A 67 4.829 0.614 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.520 2.545 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.816 1.992 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.991 0.296 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.131 1.526 1.357 1.00 0.00 H new ATOM 657 N ASN A 68 8.549 -0.692 -1.458 1.00 0.00 N ATOM 658 CA ASN A 68 9.419 -0.996 -2.590 1.00 0.00 C ATOM 659 C ASN A 68 9.179 -0.018 -3.736 1.00 0.00 C ATOM 660 O ASN A 68 8.737 -0.408 -4.816 1.00 0.00 O ATOM 661 CB ASN A 68 9.233 -2.424 -3.066 1.00 0.00 C ATOM 662 CG ASN A 68 10.317 -2.898 -3.994 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.149 -2.113 -4.462 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.264 -4.163 -4.323 1.00 0.00 N ATOM 0 H ASN A 68 9.030 -0.630 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 68 10.449 -0.888 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.194 -3.084 -2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.271 -2.506 -3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.930 -4.543 -4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.557 -4.769 -3.907 1.00 0.00 H new ATOM 671 N ASN A 69 9.476 1.255 -3.494 1.00 0.00 N ATOM 672 CA ASN A 69 9.235 2.298 -4.483 1.00 0.00 C ATOM 673 C ASN A 69 7.745 2.423 -4.791 1.00 0.00 C ATOM 674 O ASN A 69 7.355 2.650 -5.935 1.00 0.00 O ATOM 675 CB ASN A 69 10.017 2.045 -5.759 1.00 0.00 C ATOM 676 CG ASN A 69 10.189 3.269 -6.616 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.214 4.401 -6.119 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.225 3.053 -7.906 1.00 0.00 N ATOM 0 H ASN A 69 9.884 1.588 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 69 9.582 3.239 -4.055 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.000 1.653 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.509 1.275 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.276 3.839 -8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.202 2.098 -8.264 1.00 0.00 H new ATOM 685 N PHE A 70 6.920 2.275 -3.761 1.00 0.00 N ATOM 686 CA PHE A 70 5.476 2.405 -3.913 1.00 0.00 C ATOM 687 C PHE A 70 4.973 1.551 -5.074 1.00 0.00 C ATOM 688 O PHE A 70 4.071 1.953 -5.810 1.00 0.00 O ATOM 689 CB PHE A 70 5.095 3.870 -4.140 1.00 0.00 C ATOM 690 CG PHE A 70 5.249 4.725 -2.915 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.196 4.879 -2.026 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.443 5.375 -2.653 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.334 5.666 -0.898 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.587 6.165 -1.526 1.00 0.00 C ATOM 695 CZ PHE A 70 5.531 6.308 -0.647 1.00 0.00 C ATOM 0 H PHE A 70 7.227 2.065 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 70 5.006 2.053 -2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.714 4.279 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.061 3.920 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.258 4.379 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.272 5.264 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.506 5.779 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.523 6.669 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.641 6.921 0.235 1.00 0.00 H new ATOM 705 N LYS A 71 5.564 0.372 -5.233 1.00 0.00 N ATOM 706 CA LYS A 71 5.098 -0.590 -6.225 1.00 0.00 C ATOM 707 C LYS A 71 4.153 -1.607 -5.591 1.00 0.00 C ATOM 708 O LYS A 71 4.591 -2.604 -5.016 1.00 0.00 O ATOM 709 CB LYS A 71 6.281 -1.304 -6.878 1.00 0.00 C ATOM 710 CG LYS A 71 7.158 -0.408 -7.744 1.00 0.00 C ATOM 711 CD LYS A 71 6.435 0.010 -9.016 1.00 0.00 C ATOM 712 CE LYS A 71 6.193 -1.181 -9.932 1.00 0.00 C ATOM 713 NZ LYS A 71 7.465 -1.745 -10.461 1.00 0.00 N ATOM 0 H LYS A 71 6.367 0.059 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 71 4.552 -0.044 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.897 -1.749 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.903 -2.122 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.446 0.478 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.077 -0.934 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.482 0.474 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.024 0.762 -9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.653 -1.954 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.558 -0.876 -10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.396 -1.850 -11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.251 -1.105 -10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.638 -2.675 -10.030 1.00 0.00 H new ATOM 727 N LEU A 72 2.855 -1.349 -5.703 1.00 0.00 N ATOM 728 CA LEU A 72 1.846 -2.236 -5.132 1.00 0.00 C ATOM 729 C LEU A 72 0.796 -2.609 -6.173 1.00 0.00 C ATOM 730 O LEU A 72 0.272 -1.746 -6.879 1.00 0.00 O ATOM 731 CB LEU A 72 1.175 -1.569 -3.930 1.00 0.00 C ATOM 732 CG LEU A 72 2.091 -0.759 -3.013 1.00 0.00 C ATOM 733 CD1 LEU A 72 2.115 0.701 -3.436 1.00 0.00 C ATOM 734 CD2 LEU A 72 1.645 -0.891 -1.564 1.00 0.00 C ATOM 0 H LEU A 72 2.476 -0.533 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 72 2.344 -3.148 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.388 -0.910 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.690 -2.343 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 72 3.103 -1.156 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.772 1.262 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.483 0.777 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.107 1.112 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.308 -0.308 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.625 -0.521 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.682 -1.939 -1.266 1.00 0.00 H new ATOM 746 N LEU A 73 0.492 -3.899 -6.263 1.00 0.00 N ATOM 747 CA LEU A 73 -0.334 -4.416 -7.347 1.00 0.00 C ATOM 748 C LEU A 73 -1.473 -5.275 -6.803 1.00 0.00 C ATOM 749 O LEU A 73 -1.298 -6.013 -5.832 1.00 0.00 O ATOM 750 CB LEU A 73 0.518 -5.237 -8.319 1.00 0.00 C ATOM 751 CG LEU A 73 1.980 -4.811 -8.452 1.00 0.00 C ATOM 752 CD1 LEU A 73 2.830 -5.479 -7.382 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.508 -5.143 -9.840 1.00 0.00 C ATOM 0 H LEU A 73 0.805 -4.606 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.764 -3.567 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.491 -6.280 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.055 -5.191 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 73 2.038 -3.732 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.868 -5.164 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.466 -5.191 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.766 -6.562 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.550 -4.833 -9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.436 -6.217 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.917 -4.617 -10.590 1.00 0.00 H new ATOM 765 N THR A 74 -2.637 -5.174 -7.434 1.00 0.00 N ATOM 766 CA THR A 74 -3.790 -5.976 -7.045 1.00 0.00 C ATOM 767 C THR A 74 -4.937 -5.809 -8.035 1.00 0.00 C ATOM 768 O THR A 74 -5.014 -4.806 -8.747 1.00 0.00 O ATOM 769 CB THR A 74 -4.284 -5.608 -5.634 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.334 -6.503 -5.242 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.805 -4.179 -5.608 1.00 0.00 C ATOM 0 H THR A 74 -2.807 -4.544 -8.218 1.00 0.00 H new ATOM 0 HA THR A 74 -3.464 -7.016 -7.045 1.00 0.00 H new ATOM 0 HB THR A 74 -3.448 -5.693 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.074 -6.974 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.150 -3.936 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.005 -3.495 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.633 -4.081 -6.310 1.00 0.00 H new ATOM 779 N ASP A 75 -5.827 -6.795 -8.077 1.00 0.00 N ATOM 780 CA ASP A 75 -7.083 -6.660 -8.803 1.00 0.00 C ATOM 781 C ASP A 75 -8.248 -7.203 -7.980 1.00 0.00 C ATOM 782 O ASP A 75 -8.313 -8.396 -7.691 1.00 0.00 O ATOM 783 CB ASP A 75 -7.006 -7.384 -10.150 1.00 0.00 C ATOM 784 CG ASP A 75 -8.248 -7.233 -11.017 1.00 0.00 C ATOM 785 OD1 ASP A 75 -9.222 -6.701 -10.540 1.00 0.00 O ATOM 786 OD2 ASP A 75 -8.164 -7.505 -12.192 1.00 0.00 O ATOM 0 H ASP A 75 -5.701 -7.696 -7.616 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.255 -5.599 -8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.145 -7.008 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.831 -8.445 -9.969 1.00 0.00 H new ATOM 791 N GLY A 76 -9.166 -6.316 -7.605 1.00 0.00 N ATOM 792 CA GLY A 76 -10.307 -6.722 -6.809 1.00 0.00 C ATOM 793 C GLY A 76 -9.904 -7.485 -5.564 1.00 0.00 C ATOM 794 O GLY A 76 -10.701 -8.240 -5.004 1.00 0.00 O ATOM 0 H GLY A 76 -9.138 -5.324 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.878 -5.839 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.966 -7.344 -7.415 1.00 0.00 H new ATOM 798 N GLU A 77 -8.663 -7.291 -5.127 1.00 0.00 N ATOM 799 CA GLU A 77 -8.128 -8.033 -3.991 1.00 0.00 C ATOM 800 C GLU A 77 -7.314 -7.117 -3.081 1.00 0.00 C ATOM 801 O GLU A 77 -7.202 -5.917 -3.329 1.00 0.00 O ATOM 802 CB GLU A 77 -7.269 -9.204 -4.468 1.00 0.00 C ATOM 803 CG GLU A 77 -8.046 -10.308 -5.172 1.00 0.00 C ATOM 804 CD GLU A 77 -7.132 -11.408 -5.636 1.00 0.00 C ATOM 805 OE1 GLU A 77 -5.957 -11.330 -5.371 1.00 0.00 O ATOM 806 OE2 GLU A 77 -7.624 -12.382 -6.155 1.00 0.00 O ATOM 0 H GLU A 77 -8.010 -6.627 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.968 -8.428 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.504 -8.825 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.750 -9.632 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.796 -10.717 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.581 -9.892 -6.026 1.00 0.00 H new ATOM 813 N TRP A 78 -6.748 -7.693 -2.026 1.00 0.00 N ATOM 814 CA TRP A 78 -5.932 -6.935 -1.085 1.00 0.00 C ATOM 815 C TRP A 78 -4.629 -6.482 -1.736 1.00 0.00 C ATOM 816 O TRP A 78 -4.122 -7.135 -2.649 1.00 0.00 O ATOM 817 CB TRP A 78 -5.632 -7.775 0.156 1.00 0.00 C ATOM 818 CG TRP A 78 -4.678 -8.900 -0.106 1.00 0.00 C ATOM 819 CD1 TRP A 78 -4.482 -9.549 -1.291 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.791 -9.509 0.839 1.00 0.00 C ATOM 821 NE1 TRP A 78 -3.527 -10.527 -1.140 1.00 0.00 N ATOM 822 CE2 TRP A 78 -3.087 -10.522 0.159 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.521 -9.298 2.193 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -2.134 -11.318 0.786 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.576 -10.089 2.818 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.891 -11.089 2.113 1.00 0.00 C ATOM 0 H TRP A 78 -6.840 -8.684 -1.801 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.494 -6.050 -0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.218 -7.130 0.931 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.565 -8.182 0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.001 -9.327 -2.212 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.199 -11.154 -1.875 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.043 -8.529 2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.605 -12.089 0.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.362 -9.935 3.865 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.157 -11.691 2.628 1.00 0.00 H new ATOM 837 N VAL A 79 -4.094 -5.363 -1.262 1.00 0.00 N ATOM 838 CA VAL A 79 -2.867 -4.805 -1.824 1.00 0.00 C ATOM 839 C VAL A 79 -1.639 -5.328 -1.087 1.00 0.00 C ATOM 840 O VAL A 79 -1.605 -5.357 0.142 1.00 0.00 O ATOM 841 CB VAL A 79 -2.870 -3.265 -1.769 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.559 -2.712 -2.306 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.045 -2.707 -2.558 1.00 0.00 C ATOM 0 H VAL A 79 -4.489 -4.824 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.825 -5.121 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.975 -2.957 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.577 -1.623 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.732 -3.087 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.427 -3.029 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.032 -1.618 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.968 -3.024 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.978 -3.078 -2.133 1.00 0.00 H new ATOM 853 N TRP A 80 -0.632 -5.739 -1.849 1.00 0.00 N ATOM 854 CA TRP A 80 0.646 -6.142 -1.275 1.00 0.00 C ATOM 855 C TRP A 80 1.802 -5.423 -1.962 1.00 0.00 C ATOM 856 O TRP A 80 1.628 -4.814 -3.017 1.00 0.00 O ATOM 857 CB TRP A 80 0.828 -7.657 -1.383 1.00 0.00 C ATOM 858 CG TRP A 80 0.909 -8.150 -2.796 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.035 -8.274 -3.553 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.179 -8.585 -3.620 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.717 -8.758 -4.797 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.362 -8.958 -4.863 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.562 -8.695 -3.425 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.422 -9.431 -5.904 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.348 -9.170 -4.469 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.794 -9.528 -5.672 1.00 0.00 C ATOM 0 H TRP A 80 -0.676 -5.802 -2.866 1.00 0.00 H new ATOM 0 HA TRP A 80 0.646 -5.863 -0.221 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.736 -7.945 -0.854 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.004 -8.152 -0.881 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.033 -8.027 -3.222 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.381 -8.939 -5.550 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.009 -8.416 -2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.011 -9.712 -6.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.415 -9.259 -4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.436 -9.894 -6.459 1.00 0.00 H new ATOM 877 N VAL A 81 2.984 -5.499 -1.357 1.00 0.00 N ATOM 878 CA VAL A 81 4.159 -4.820 -1.888 1.00 0.00 C ATOM 879 C VAL A 81 4.971 -5.746 -2.787 1.00 0.00 C ATOM 880 O VAL A 81 5.344 -6.848 -2.384 1.00 0.00 O ATOM 881 CB VAL A 81 5.064 -4.292 -0.759 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.318 -3.653 -1.336 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.310 -3.295 0.106 1.00 0.00 C ATOM 0 H VAL A 81 3.152 -6.024 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 81 3.796 -3.976 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 81 5.362 -5.134 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.946 -3.286 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.870 -4.393 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.038 -2.822 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.965 -2.933 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.983 -2.455 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.440 -3.781 0.548 1.00 0.00 H new ATOM 893 N GLU A 82 5.243 -5.291 -4.005 1.00 0.00 N ATOM 894 CA GLU A 82 6.022 -6.075 -4.957 1.00 0.00 C ATOM 895 C GLU A 82 7.338 -6.534 -4.335 1.00 0.00 C ATOM 896 O GLU A 82 8.006 -5.772 -3.639 1.00 0.00 O ATOM 897 CB GLU A 82 6.291 -5.264 -6.227 1.00 0.00 C ATOM 898 CG GLU A 82 7.068 -6.016 -7.300 1.00 0.00 C ATOM 899 CD GLU A 82 7.261 -5.170 -8.527 1.00 0.00 C ATOM 900 OE1 GLU A 82 6.791 -4.059 -8.540 1.00 0.00 O ATOM 901 OE2 GLU A 82 7.973 -5.592 -9.409 1.00 0.00 O ATOM 0 H GLU A 82 4.936 -4.384 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 82 5.441 -6.958 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.338 -4.940 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.844 -4.364 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.039 -6.316 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.535 -6.929 -7.565 1.00 0.00 H new ATOM 908 N GLY A 83 7.700 -7.787 -4.592 1.00 0.00 N ATOM 909 CA GLY A 83 8.998 -8.284 -4.173 1.00 0.00 C ATOM 910 C GLY A 83 8.932 -9.041 -2.861 1.00 0.00 C ATOM 911 O GLY A 83 9.809 -9.852 -2.560 1.00 0.00 O ATOM 0 H GLY A 83 7.118 -8.466 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.400 -8.938 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.689 -7.447 -4.072 1.00 0.00 H new ATOM 915 N TYR A 84 7.892 -8.776 -2.079 1.00 0.00 N ATOM 916 CA TYR A 84 7.723 -9.429 -0.786 1.00 0.00 C ATOM 917 C TYR A 84 6.637 -10.499 -0.855 1.00 0.00 C ATOM 918 O TYR A 84 5.941 -10.755 0.126 1.00 0.00 O ATOM 919 CB TYR A 84 7.381 -8.400 0.295 1.00 0.00 C ATOM 920 CG TYR A 84 8.480 -7.390 0.547 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.585 -7.719 1.318 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.407 -6.111 0.018 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.590 -6.802 1.553 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.406 -5.185 0.245 1.00 0.00 C ATOM 925 CZ TYR A 84 10.498 -5.535 1.015 1.00 0.00 C ATOM 926 OH TYR A 84 11.495 -4.616 1.245 1.00 0.00 O ATOM 0 H TYR A 84 7.153 -8.114 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 84 8.666 -9.911 -0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.473 -7.871 0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.161 -8.924 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 84 9.661 -8.709 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.553 -5.834 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.444 -7.075 2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.334 -4.193 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 84 11.275 -3.775 0.794 1.00 0.00 H new ATOM 936 N GLU A 85 6.501 -11.121 -2.021 1.00 0.00 N ATOM 937 CA GLU A 85 5.535 -12.199 -2.205 1.00 0.00 C ATOM 938 C GLU A 85 5.850 -13.372 -1.279 1.00 0.00 C ATOM 939 O GLU A 85 4.965 -14.152 -0.930 1.00 0.00 O ATOM 940 CB GLU A 85 5.520 -12.664 -3.661 1.00 0.00 C ATOM 941 CG GLU A 85 4.905 -11.667 -4.634 1.00 0.00 C ATOM 942 CD GLU A 85 5.008 -12.152 -6.053 1.00 0.00 C ATOM 943 OE1 GLU A 85 5.599 -13.183 -6.267 1.00 0.00 O ATOM 944 OE2 GLU A 85 4.401 -11.554 -6.909 1.00 0.00 O ATOM 0 H GLU A 85 7.047 -10.898 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 85 4.547 -11.815 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.543 -12.874 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.969 -13.602 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.858 -11.505 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.409 -10.705 -4.539 1.00 0.00 H new ATOM 951 N GLU A 86 7.115 -13.486 -0.887 1.00 0.00 N ATOM 952 CA GLU A 86 7.523 -14.486 0.092 1.00 0.00 C ATOM 953 C GLU A 86 6.834 -14.247 1.433 1.00 0.00 C ATOM 954 O GLU A 86 6.450 -15.191 2.124 1.00 0.00 O ATOM 955 CB GLU A 86 9.043 -14.476 0.269 1.00 0.00 C ATOM 956 CG GLU A 86 9.564 -15.480 1.286 1.00 0.00 C ATOM 957 CD GLU A 86 9.328 -16.894 0.830 1.00 0.00 C ATOM 958 OE1 GLU A 86 8.965 -17.077 -0.308 1.00 0.00 O ATOM 959 OE2 GLU A 86 9.617 -17.795 1.580 1.00 0.00 O ATOM 0 H GLU A 86 7.874 -12.899 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 86 7.221 -15.465 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.510 -14.678 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.355 -13.476 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.631 -15.320 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.072 -15.318 2.245 1.00 0.00 H new ATOM 966 N HIS A 87 6.681 -12.976 1.794 1.00 0.00 N ATOM 967 CA HIS A 87 6.065 -12.612 3.064 1.00 0.00 C ATOM 968 C HIS A 87 4.583 -12.978 3.074 1.00 0.00 C ATOM 969 O HIS A 87 3.978 -13.128 4.136 1.00 0.00 O ATOM 970 CB HIS A 87 6.232 -11.115 3.326 1.00 0.00 C ATOM 971 CG HIS A 87 7.652 -10.706 3.573 1.00 0.00 C ATOM 972 ND1 HIS A 87 7.997 -9.594 4.312 1.00 0.00 N ATOM 973 CD2 HIS A 87 8.817 -11.268 3.176 1.00 0.00 C ATOM 974 CE1 HIS A 87 9.312 -9.489 4.358 1.00 0.00 C ATOM 975 NE2 HIS A 87 9.834 -10.493 3.675 1.00 0.00 N ATOM 0 H HIS A 87 6.975 -12.182 1.225 1.00 0.00 H new ATOM 0 HA HIS A 87 6.566 -13.171 3.855 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.846 -10.559 2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.627 -10.835 4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.926 -12.160 2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 87 9.867 -8.715 4.867 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.831 -10.664 3.541 1.00 0.00 H new ATOM 983 N ILE A 88 4.006 -13.120 1.886 1.00 0.00 N ATOM 984 CA ILE A 88 2.596 -13.469 1.760 1.00 0.00 C ATOM 985 C ILE A 88 2.318 -14.855 2.331 1.00 0.00 C ATOM 986 O ILE A 88 3.072 -15.798 2.095 1.00 0.00 O ATOM 987 CB ILE A 88 2.133 -13.425 0.291 1.00 0.00 C ATOM 988 CG1 ILE A 88 2.200 -11.994 -0.247 1.00 0.00 C ATOM 989 CG2 ILE A 88 0.724 -13.981 0.162 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.941 -11.888 -1.732 1.00 0.00 C ATOM 0 H ILE A 88 4.492 -12.999 0.998 1.00 0.00 H new ATOM 0 HA ILE A 88 2.036 -12.727 2.330 1.00 0.00 H new ATOM 0 HB ILE A 88 2.803 -14.047 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.471 -11.382 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.184 -11.579 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.412 -13.943 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.708 -15.014 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.041 -13.385 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.005 -10.844 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.685 -12.472 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.945 -12.271 -1.956 1.00 0.00 H new ATOM 1002 N GLY A 89 1.229 -14.970 3.085 1.00 0.00 N ATOM 1003 CA GLY A 89 0.905 -16.229 3.732 1.00 0.00 C ATOM 1004 C GLY A 89 1.654 -16.420 5.037 1.00 0.00 C ATOM 1005 O GLY A 89 1.784 -17.542 5.528 1.00 0.00 O ATOM 0 H GLY A 89 0.566 -14.215 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.167 -16.271 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.141 -17.052 3.057 1.00 0.00 H new ATOM 1009 N LYS A 90 2.149 -15.323 5.598 1.00 0.00 N ATOM 1010 CA LYS A 90 2.902 -15.375 6.848 1.00 0.00 C ATOM 1011 C LYS A 90 2.334 -14.392 7.866 1.00 0.00 C ATOM 1012 O LYS A 90 2.271 -13.189 7.611 1.00 0.00 O ATOM 1013 CB LYS A 90 4.382 -15.080 6.597 1.00 0.00 C ATOM 1014 CG LYS A 90 5.127 -16.186 5.863 1.00 0.00 C ATOM 1015 CD LYS A 90 6.586 -15.818 5.642 1.00 0.00 C ATOM 1016 CE LYS A 90 7.304 -16.868 4.808 1.00 0.00 C ATOM 1017 NZ LYS A 90 7.335 -18.193 5.487 1.00 0.00 N ATOM 0 H LYS A 90 2.043 -14.386 5.208 1.00 0.00 H new ATOM 0 HA LYS A 90 2.811 -16.382 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.464 -14.159 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.872 -14.902 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.066 -17.111 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.648 -16.374 4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.647 -14.851 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.086 -15.712 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.807 -16.967 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.324 -16.538 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.933 -18.848 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.724 -18.083 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.370 -18.575 5.547 1.00 0.00 H new ATOM 1031 N GLN A 91 1.922 -14.912 9.018 1.00 0.00 N ATOM 1032 CA GLN A 91 1.336 -14.081 10.063 1.00 0.00 C ATOM 1033 C GLN A 91 2.346 -13.064 10.582 1.00 0.00 C ATOM 1034 O GLN A 91 3.210 -13.390 11.398 1.00 0.00 O ATOM 1035 CB GLN A 91 0.833 -14.948 11.221 1.00 0.00 C ATOM 1036 CG GLN A 91 0.040 -14.188 12.270 1.00 0.00 C ATOM 1037 CD GLN A 91 -1.261 -13.634 11.723 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -1.935 -14.278 10.914 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -1.622 -12.432 12.159 1.00 0.00 N ATOM 0 H GLN A 91 1.983 -15.903 9.251 1.00 0.00 H new ATOM 0 HA GLN A 91 0.493 -13.544 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.209 -15.746 10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.688 -15.423 11.702 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.175 -14.850 13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.646 -13.369 12.657 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.035 -11.935 12.828 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.487 -12.007 11.825 1.00 0.00 H new ATOM 1048 N LEU A 92 2.235 -11.831 10.102 1.00 0.00 N ATOM 1049 CA LEU A 92 3.096 -10.748 10.565 1.00 0.00 C ATOM 1050 C LEU A 92 2.297 -9.710 11.345 1.00 0.00 C ATOM 1051 O LEU A 92 1.078 -9.605 11.215 1.00 0.00 O ATOM 1052 CB LEU A 92 3.812 -10.092 9.379 1.00 0.00 C ATOM 1053 CG LEU A 92 4.696 -11.032 8.548 1.00 0.00 C ATOM 1054 CD1 LEU A 92 5.267 -10.287 7.348 1.00 0.00 C ATOM 1055 CD2 LEU A 92 5.812 -11.584 9.421 1.00 0.00 C ATOM 0 H LEU A 92 1.557 -11.556 9.392 1.00 0.00 H new ATOM 0 HA LEU A 92 3.844 -11.172 11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.063 -9.649 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.429 -9.276 9.754 1.00 0.00 H new ATOM 0 HG LEU A 92 4.096 -11.864 8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.893 -10.962 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.451 -9.920 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.866 -9.445 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.440 -12.252 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.416 -10.761 9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.381 -12.136 10.257 1.00 0.00 H new ATOM 1067 N PRO A 93 2.997 -8.923 12.175 1.00 0.00 N ATOM 1068 CA PRO A 93 2.383 -7.836 12.942 1.00 0.00 C ATOM 1069 C PRO A 93 1.870 -6.713 12.049 1.00 0.00 C ATOM 1070 O PRO A 93 1.998 -6.771 10.827 1.00 0.00 O ATOM 1071 CB PRO A 93 3.507 -7.358 13.868 1.00 0.00 C ATOM 1072 CG PRO A 93 4.508 -8.462 13.837 1.00 0.00 C ATOM 1073 CD PRO A 93 4.422 -9.040 12.450 1.00 0.00 C ATOM 0 HA PRO A 93 1.500 -8.168 13.489 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.939 -6.420 13.518 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.141 -7.182 14.879 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.511 -8.089 14.046 1.00 0.00 H new ATOM 0 HG3 PRO A 93 4.285 -9.216 14.592 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.025 -8.481 11.735 1.00 0.00 H new ATOM 0 HD3 PRO A 93 4.763 -10.075 12.415 1.00 0.00 H new ATOM 1081 N LEU A 94 1.288 -5.691 12.667 1.00 0.00 N ATOM 1082 CA LEU A 94 0.791 -4.534 11.930 1.00 0.00 C ATOM 1083 C LEU A 94 1.914 -3.537 11.660 1.00 0.00 C ATOM 1084 O LEU A 94 1.869 -2.787 10.686 1.00 0.00 O ATOM 1085 CB LEU A 94 -0.349 -3.859 12.704 1.00 0.00 C ATOM 1086 CG LEU A 94 -1.607 -4.717 12.893 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -2.619 -3.977 13.755 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -2.201 -5.052 11.534 1.00 0.00 C ATOM 0 H LEU A 94 1.149 -5.640 13.676 1.00 0.00 H new ATOM 0 HA LEU A 94 0.407 -4.880 10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.023 -3.567 13.686 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.628 -2.943 12.183 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.342 -5.645 13.399 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.508 -4.594 13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.181 -3.765 14.730 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.894 -3.040 13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.095 -5.662 11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.465 -4.130 11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.470 -5.605 10.944 1.00 0.00 H new ATOM 1100 N ASN A 95 2.921 -3.538 12.527 1.00 0.00 N ATOM 1101 CA ASN A 95 4.114 -2.727 12.315 1.00 0.00 C ATOM 1102 C ASN A 95 4.949 -3.278 11.163 1.00 0.00 C ATOM 1103 O ASN A 95 5.722 -2.550 10.541 1.00 0.00 O ATOM 1104 CB ASN A 95 4.954 -2.630 13.576 1.00 0.00 C ATOM 1105 CG ASN A 95 4.341 -1.772 14.647 1.00 0.00 C ATOM 1106 OD1 ASN A 95 3.486 -0.921 14.375 1.00 0.00 O ATOM 1107 ND2 ASN A 95 4.831 -1.932 15.849 1.00 0.00 N ATOM 0 H ASN A 95 2.935 -4.092 13.383 1.00 0.00 H new ATOM 0 HA ASN A 95 3.782 -1.722 12.055 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.114 -3.632 13.973 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.934 -2.229 13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.509 -1.339 16.614 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.535 -2.649 16.021 1.00 0.00 H new ATOM 1114 N GLN A 96 4.786 -4.567 10.885 1.00 0.00 N ATOM 1115 CA GLN A 96 5.524 -5.216 9.808 1.00 0.00 C ATOM 1116 C GLN A 96 4.573 -5.776 8.755 1.00 0.00 C ATOM 1117 O GLN A 96 4.859 -6.793 8.125 1.00 0.00 O ATOM 1118 CB GLN A 96 6.405 -6.340 10.360 1.00 0.00 C ATOM 1119 CG GLN A 96 7.494 -5.869 11.309 1.00 0.00 C ATOM 1120 CD GLN A 96 8.518 -4.984 10.621 1.00 0.00 C ATOM 1121 OE1 GLN A 96 8.984 -5.289 9.521 1.00 0.00 O ATOM 1122 NE2 GLN A 96 8.876 -3.883 11.271 1.00 0.00 N ATOM 0 H GLN A 96 4.149 -5.183 11.391 1.00 0.00 H new ATOM 0 HA GLN A 96 6.159 -4.464 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.773 -7.060 10.879 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.869 -6.866 9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.040 -5.321 12.135 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.997 -6.735 11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.464 -3.670 12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.563 -3.250 10.862 1.00 0.00 H new ATOM 1131 N ALA A 97 3.442 -5.103 8.570 1.00 0.00 N ATOM 1132 CA ALA A 97 2.457 -5.522 7.582 1.00 0.00 C ATOM 1133 C ALA A 97 2.738 -4.887 6.225 1.00 0.00 C ATOM 1134 O ALA A 97 2.741 -3.664 6.089 1.00 0.00 O ATOM 1135 CB ALA A 97 1.054 -5.170 8.051 1.00 0.00 C ATOM 0 H ALA A 97 3.186 -4.265 9.092 1.00 0.00 H new ATOM 0 HA ALA A 97 2.529 -6.604 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.329 -5.489 7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.848 -5.676 8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.978 -4.092 8.193 1.00 0.00 H new ATOM 1141 N ARG A 98 2.973 -5.726 5.220 1.00 0.00 N ATOM 1142 CA ARG A 98 3.318 -5.246 3.888 1.00 0.00 C ATOM 1143 C ARG A 98 2.129 -5.379 2.939 1.00 0.00 C ATOM 1144 O ARG A 98 2.273 -5.242 1.726 1.00 0.00 O ATOM 1145 CB ARG A 98 4.557 -5.930 3.332 1.00 0.00 C ATOM 1146 CG ARG A 98 5.854 -5.580 4.045 1.00 0.00 C ATOM 1147 CD ARG A 98 7.055 -6.261 3.498 1.00 0.00 C ATOM 1148 NE ARG A 98 8.253 -6.116 4.311 1.00 0.00 N ATOM 1149 CZ ARG A 98 9.071 -5.045 4.285 1.00 0.00 C ATOM 1150 NH1 ARG A 98 8.847 -4.043 3.464 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.118 -5.040 5.091 1.00 0.00 N ATOM 0 H ARG A 98 2.930 -6.742 5.304 1.00 0.00 H new ATOM 0 HA ARG A 98 3.563 -4.188 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.412 -7.009 3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.657 -5.669 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.006 -4.502 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.755 -5.835 5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.835 -7.322 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.258 -5.868 2.502 1.00 0.00 H new ATOM 0 HE ARG A 98 8.491 -6.879 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.045 -4.069 2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.475 -3.240 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.289 -5.832 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.755 -4.244 5.094 1.00 0.00 H new ATOM 1165 N ALA A 99 0.955 -5.644 3.503 1.00 0.00 N ATOM 1166 CA ALA A 99 -0.270 -5.725 2.717 1.00 0.00 C ATOM 1167 C ALA A 99 -1.385 -4.901 3.351 1.00 0.00 C ATOM 1168 O ALA A 99 -1.426 -4.732 4.570 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.703 -7.177 2.564 1.00 0.00 C ATOM 0 H ALA A 99 0.827 -5.806 4.502 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.067 -5.312 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.619 -7.223 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.082 -7.740 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.882 -7.609 3.549 1.00 0.00 H new ATOM 1175 N TRP A 100 -2.285 -4.392 2.519 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.440 -3.647 3.004 1.00 0.00 C ATOM 1177 C TRP A 100 -4.660 -3.901 2.126 1.00 0.00 C ATOM 1178 O TRP A 100 -4.600 -3.754 0.905 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.129 -2.150 3.045 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.852 -1.829 3.764 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.717 -1.485 5.078 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.534 -1.820 3.207 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.393 -1.263 5.372 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.354 -1.462 4.240 1.00 0.00 C ATOM 1185 CE3 TRP A 100 -0.016 -2.081 1.936 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.727 -1.360 4.041 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.347 -1.978 1.737 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.206 -1.622 2.785 1.00 0.00 C ATOM 0 H TRP A 100 -2.237 -4.482 1.504 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.664 -3.992 4.014 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.069 -1.770 2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.953 -1.628 3.531 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.531 -1.400 5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.026 -0.994 6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.670 -2.359 1.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.391 -1.084 4.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.757 -2.175 0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.268 -1.553 2.599 1.00 0.00 H new ATOM 1199 N SER A 101 -5.768 -4.283 2.756 1.00 0.00 N ATOM 1200 CA SER A 101 -6.998 -4.575 2.028 1.00 0.00 C ATOM 1201 C SER A 101 -7.627 -3.294 1.488 1.00 0.00 C ATOM 1202 O SER A 101 -7.378 -2.203 2.002 1.00 0.00 O ATOM 1203 CB SER A 101 -7.975 -5.310 2.924 1.00 0.00 C ATOM 1204 OG SER A 101 -8.459 -4.494 3.955 1.00 0.00 O ATOM 0 H SER A 101 -5.839 -4.397 3.767 1.00 0.00 H new ATOM 0 HA SER A 101 -6.752 -5.214 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.811 -5.674 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.486 -6.184 3.353 1.00 0.00 H new ATOM 0 HG SER A 101 -9.087 -5.004 4.509 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.442 -3.435 0.449 1.00 0.00 N ATOM 1211 CA TRP A 102 -9.201 -2.309 -0.084 1.00 0.00 C ATOM 1212 C TRP A 102 -10.195 -1.786 0.948 1.00 0.00 C ATOM 1213 O TRP A 102 -10.473 -0.589 1.000 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.941 -2.724 -1.357 1.00 0.00 C ATOM 1215 CG TRP A 102 -9.136 -2.520 -2.605 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.814 -3.467 -3.537 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.549 -1.295 -3.055 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -8.063 -2.903 -4.540 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.887 -1.571 -4.267 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.519 0.008 -2.553 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.203 -0.591 -4.983 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.840 0.980 -3.263 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.189 0.677 -4.468 1.00 0.00 C ATOM 0 H TRP A 102 -8.594 -4.317 -0.041 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.499 -1.510 -0.323 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -10.220 -3.775 -1.281 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.867 -2.154 -1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -9.107 -4.506 -3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.696 -3.395 -5.355 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.018 0.252 -1.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.702 -0.823 -5.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.810 1.991 -2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.667 1.459 -4.999 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.725 -2.691 1.764 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.626 -2.308 2.845 1.00 0.00 C ATOM 1236 C GLU A 103 -10.892 -1.483 3.899 1.00 0.00 C ATOM 1237 O GLU A 103 -11.488 -0.639 4.570 1.00 0.00 O ATOM 1238 CB GLU A 103 -12.252 -3.547 3.486 1.00 0.00 C ATOM 1239 CG GLU A 103 -13.262 -4.269 2.605 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.766 -5.522 3.266 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -13.298 -5.839 4.333 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.699 -6.102 2.760 1.00 0.00 O ATOM 0 H GLU A 103 -10.547 -3.693 1.698 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.420 -1.694 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.457 -4.244 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.743 -3.253 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.100 -3.606 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.801 -4.519 1.650 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.595 -1.732 4.040 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.765 -0.970 4.963 1.00 0.00 C ATOM 1251 C PHE A 104 -8.396 0.388 4.373 1.00 0.00 C ATOM 1252 O PHE A 104 -8.426 1.407 5.064 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.494 -1.751 5.306 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.505 -0.963 6.116 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.674 -0.809 7.482 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.404 -0.377 5.510 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.764 -0.083 8.230 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.492 0.349 6.253 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.673 0.496 7.615 1.00 0.00 C ATOM 0 H PHE A 104 -9.096 -2.457 3.525 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.340 -0.806 5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.768 -2.651 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.017 -2.076 4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.526 -1.261 7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.257 -0.489 4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.908 0.030 9.294 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.639 0.801 5.769 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.962 1.063 8.197 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.048 0.392 3.091 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.760 1.633 2.382 1.00 0.00 C ATOM 1271 C ILE A 105 -8.962 2.570 2.403 1.00 0.00 C ATOM 1272 O ILE A 105 -8.817 3.784 2.547 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.350 1.368 0.921 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -6.004 0.639 0.868 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.285 2.673 0.142 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.671 0.076 -0.494 1.00 0.00 C ATOM 0 H ILE A 105 -7.959 -0.450 2.522 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.926 2.106 2.901 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.104 0.731 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.215 1.329 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.012 -0.173 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.994 2.468 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.264 3.153 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.551 3.335 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.704 -0.426 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.439 -0.639 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.630 0.886 -1.222 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.154 1.998 2.260 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.382 2.782 2.245 1.00 0.00 C ATOM 1290 C LYS A 106 -11.672 3.366 3.623 1.00 0.00 C ATOM 1291 O LYS A 106 -12.175 4.484 3.741 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.559 1.926 1.774 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.543 1.595 0.289 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.665 0.632 -0.076 1.00 0.00 C ATOM 1295 CE LYS A 106 -15.027 1.299 0.037 1.00 0.00 C ATOM 1296 NZ LYS A 106 -16.128 0.386 -0.371 1.00 0.00 N ATOM 0 H LYS A 106 -10.294 0.993 2.153 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.247 3.607 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.565 0.995 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.487 2.447 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.645 2.512 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.582 1.155 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.519 0.270 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.628 -0.237 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.188 1.624 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.046 2.192 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.039 0.879 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.989 0.095 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.126 -0.455 0.241 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.350 2.605 4.663 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.542 3.064 6.035 1.00 0.00 C ATOM 1312 C ASN A 107 -10.564 4.187 6.374 1.00 0.00 C ATOM 1313 O ASN A 107 -10.922 5.147 7.055 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.400 1.923 7.026 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.561 0.968 7.020 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.664 1.303 6.575 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.341 -0.191 7.586 1.00 0.00 N ATOM 0 H ASN A 107 -10.955 1.668 4.583 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.558 3.452 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.487 1.372 6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.286 2.336 8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.100 -0.867 7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.411 -0.419 7.937 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.333 4.057 5.892 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.355 5.134 5.995 1.00 0.00 C ATOM 1326 C ARG A 108 -8.789 6.343 5.169 1.00 0.00 C ATOM 1327 O ARG A 108 -8.688 7.484 5.621 1.00 0.00 O ATOM 1328 CB ARG A 108 -6.954 4.675 5.623 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.273 3.795 6.660 1.00 0.00 C ATOM 1330 CD ARG A 108 -5.808 4.520 7.869 1.00 0.00 C ATOM 1331 NE ARG A 108 -4.761 5.498 7.620 1.00 0.00 N ATOM 1332 CZ ARG A 108 -4.279 6.354 8.542 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -4.769 6.383 9.761 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -3.314 7.182 8.181 1.00 0.00 N ATOM 0 H ARG A 108 -8.989 3.217 5.426 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.314 5.438 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.004 4.129 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.333 5.554 5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.966 3.011 6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.419 3.302 6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.660 5.026 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.444 3.793 8.595 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.364 5.539 6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.526 5.751 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.392 7.037 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.955 7.161 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.929 7.842 8.857 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.270 6.083 3.958 1.00 0.00 N ATOM 1349 CA LEU A 109 -9.818 7.136 3.111 1.00 0.00 C ATOM 1350 C LEU A 109 -10.971 7.849 3.809 1.00 0.00 C ATOM 1351 O LEU A 109 -11.037 9.079 3.827 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.281 6.552 1.771 1.00 0.00 C ATOM 1353 CG LEU A 109 -10.855 7.572 0.777 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.791 8.599 0.412 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -11.354 6.848 -0.463 1.00 0.00 C ATOM 0 H LEU A 109 -9.291 5.152 3.541 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.032 7.867 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.437 6.047 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.038 5.793 1.966 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.693 8.097 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.207 9.319 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.464 9.120 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.939 8.094 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.761 7.573 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.527 6.313 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.132 6.139 -0.182 1.00 0.00 H new ATOM 1367 N LYS A 110 -11.882 7.070 4.384 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.026 7.625 5.097 1.00 0.00 C ATOM 1369 C LYS A 110 -12.570 8.475 6.278 1.00 0.00 C ATOM 1370 O LYS A 110 -13.181 9.497 6.590 1.00 0.00 O ATOM 1371 CB LYS A 110 -13.954 6.509 5.576 1.00 0.00 C ATOM 1372 CG LYS A 110 -14.739 5.823 4.466 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.524 4.632 4.996 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.673 5.079 5.887 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.486 3.928 6.365 1.00 0.00 N ATOM 0 H LYS A 110 -11.849 6.051 4.370 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.576 8.264 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.361 5.760 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.657 6.923 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.423 6.537 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.054 5.491 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.914 4.050 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -14.859 3.977 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.277 5.624 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.311 5.770 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.258 4.275 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.885 3.422 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.883 3.281 6.912 1.00 0.00 H new ATOM 1389 N GLU A 111 -11.493 8.047 6.929 1.00 0.00 N ATOM 1390 CA GLU A 111 -10.906 8.814 8.022 1.00 0.00 C ATOM 1391 C GLU A 111 -10.334 10.135 7.515 1.00 0.00 C ATOM 1392 O GLU A 111 -10.159 11.084 8.278 1.00 0.00 O ATOM 1393 CB GLU A 111 -9.816 8.002 8.724 1.00 0.00 C ATOM 1394 CG GLU A 111 -10.340 6.867 9.593 1.00 0.00 C ATOM 1395 CD GLU A 111 -9.214 6.098 10.226 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.420 6.698 10.910 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -9.208 4.894 10.117 1.00 0.00 O ATOM 0 H GLU A 111 -11.009 7.174 6.719 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.696 9.034 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.146 7.587 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.222 8.673 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.989 7.271 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.948 6.194 8.988 1.00 0.00 H new ATOM 1404 N LEU A 112 -10.044 10.188 6.218 1.00 0.00 N ATOM 1405 CA LEU A 112 -9.436 11.370 5.616 1.00 0.00 C ATOM 1406 C LEU A 112 -10.435 12.519 5.546 1.00 0.00 C ATOM 1407 O LEU A 112 -10.054 13.688 5.534 1.00 0.00 O ATOM 1408 CB LEU A 112 -8.898 11.040 4.220 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.043 12.136 3.572 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -6.818 12.418 4.429 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.635 11.704 2.172 1.00 0.00 C ATOM 0 H LEU A 112 -10.220 9.426 5.564 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.603 11.684 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.304 10.128 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.742 10.825 3.565 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.626 13.054 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.218 13.198 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.134 12.749 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.223 11.510 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.028 12.484 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.058 10.781 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.527 11.537 1.568 1.00 0.00 H new ATOM 1423 N ASN A 113 -11.720 12.178 5.500 1.00 0.00 N ATOM 1424 CA ASN A 113 -12.777 13.181 5.429 1.00 0.00 C ATOM 1425 C ASN A 113 -13.248 13.571 6.828 1.00 0.00 C ATOM 1426 O ASN A 113 -14.095 12.901 7.418 1.00 0.00 O ATOM 1427 CB ASN A 113 -13.948 12.699 4.593 1.00 0.00 C ATOM 1428 CG ASN A 113 -15.005 13.745 4.374 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -15.092 14.735 5.111 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -15.860 13.491 3.416 1.00 0.00 N ATOM 0 H ASN A 113 -12.054 11.214 5.511 1.00 0.00 H new ATOM 0 HA ASN A 113 -12.359 14.062 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.577 12.361 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.400 11.835 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.643 14.124 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.744 12.660 2.836 1.00 0.00 H new ATOM 1437 N LEU A 114 -12.695 14.661 7.350 1.00 0.00 N ATOM 1438 CA LEU A 114 -13.053 15.139 8.679 1.00 0.00 C ATOM 1439 C LEU A 114 -14.561 15.339 8.798 1.00 0.00 C ATOM 1440 O LEU A 114 -15.135 15.194 9.878 1.00 0.00 O ATOM 1441 CB LEU A 114 -12.312 16.446 8.993 1.00 0.00 C ATOM 1442 CG LEU A 114 -12.535 17.000 10.405 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -11.959 16.043 11.439 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -11.888 18.372 10.521 1.00 0.00 C ATOM 1445 OXT LEU A 114 -15.203 15.643 7.832 1.00 0.00 O ATOM 0 H LEU A 114 -11.997 15.230 6.872 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.753 14.384 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.244 16.283 8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.620 17.202 8.271 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.604 17.099 10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.123 16.446 12.439 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -12.452 15.075 11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.889 15.922 11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.047 18.765 11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.818 18.287 10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.335 19.048 9.792 1.00 0.00 H new TER 1457 LEU A 114