USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 923 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 89 SER OG : rot -138:sc= 0.294 USER MOD Set 1.2: A 109 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0977 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 5:sc= 0.493 USER MOD Single : A 6 SER OG : rot 12:sc= 0.749 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00704 USER MOD Single : A 22 TYR OH : rot 163:sc= -0.108 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -141:sc= -3.09! (180deg=-6.38!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 129:sc= -0.236 (180deg=-0.842) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0132) USER MOD Single : A 36 ASN : amide:sc= -1.02 K(o=-1,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.58 K(o=-4.6,f=-2.9) USER MOD Single : A 46 HIS : no HD1:sc=-0.00658 X(o=-0.0066,f=0) USER MOD Single : A 47 CYS SG : rot -20:sc= -0.887 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0297 X(o=-0.03,f=-0.39) USER MOD Single : A 52 CYS SG : rot -161:sc= -1.97! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -8.65! C(o=-8.7!,f=-9.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot -42:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -4.88! C(o=-4.9!,f=-17!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 71 MET CE :methyl -178:sc= 0 (180deg=-0.0102) USER MOD Single : A 74 SER OG : rot -56:sc= 0.862 USER MOD Single : A 75 SER OG : rot 42:sc= 0.379 USER MOD Single : A 78 ASN : amide:sc= -0.63 K(o=-0.63,f=-0.08) USER MOD Single : A 81 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 83 GLN : amide:sc=-0.000262 X(o=-0.00026,f=-0.046) USER MOD Single : A 88 MET CE :methyl -113:sc= -1.95 (180deg=-2.68!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 84:sc= 0.146 USER MOD Single : A 96 THR OG1 : rot -50:sc= 0.527 USER MOD Single : A 99 ASN : amide:sc= -0.655 K(o=-0.66,f=-1.5!) USER MOD Single : A 104 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 30:sc= 0.356 USER MOD Single : A 121 ASN : amide:sc= -0.699 K(o=-0.7,f=-3.1!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -20:sc= 0.693 USER MOD Single : A 126 SER OG : rot 180:sc= -0.151 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.363 18.285 18.829 1.00 0.00 N ATOM 2 CA GLY A 1 -14.664 19.270 18.024 1.00 0.00 C ATOM 3 C GLY A 1 -13.309 18.778 17.554 1.00 0.00 C ATOM 4 O GLY A 1 -12.947 17.624 17.783 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.342 18.191 18.490 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.880 17.367 18.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.369 18.590 19.823 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.274 19.527 17.158 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.534 20.183 18.604 1.00 0.00 H new ATOM 8 N SER A 2 -12.559 19.655 16.895 1.00 0.00 N ATOM 9 CA SER A 2 -11.238 19.301 16.387 1.00 0.00 C ATOM 10 C SER A 2 -10.534 20.524 15.807 1.00 0.00 C ATOM 11 O SER A 2 -11.166 21.386 15.196 1.00 0.00 O ATOM 12 CB SER A 2 -11.354 18.211 15.320 1.00 0.00 C ATOM 13 OG SER A 2 -10.086 17.651 15.024 1.00 0.00 O ATOM 0 H SER A 2 -12.843 20.615 16.700 1.00 0.00 H new ATOM 0 HA SER A 2 -10.645 18.922 17.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.029 17.428 15.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.791 18.630 14.413 1.00 0.00 H new ATOM 0 HG SER A 2 -10.187 16.956 14.341 1.00 0.00 H new ATOM 19 N SER A 3 -9.221 20.592 16.004 1.00 0.00 N ATOM 20 CA SER A 3 -8.431 21.711 15.504 1.00 0.00 C ATOM 21 C SER A 3 -6.940 21.459 15.712 1.00 0.00 C ATOM 22 O SER A 3 -6.549 20.525 16.411 1.00 0.00 O ATOM 23 CB SER A 3 -8.842 23.007 16.205 1.00 0.00 C ATOM 24 OG SER A 3 -8.642 24.129 15.361 1.00 0.00 O ATOM 0 H SER A 3 -8.682 19.886 16.506 1.00 0.00 H new ATOM 0 HA SER A 3 -8.621 21.808 14.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.891 22.950 16.497 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.263 23.129 17.120 1.00 0.00 H new ATOM 0 HG SER A 3 -8.914 24.945 15.831 1.00 0.00 H new ATOM 30 N GLY A 4 -6.113 22.300 15.099 1.00 0.00 N ATOM 31 CA GLY A 4 -4.675 22.152 15.229 1.00 0.00 C ATOM 32 C GLY A 4 -3.911 23.062 14.287 1.00 0.00 C ATOM 33 O GLY A 4 -4.507 23.744 13.453 1.00 0.00 O ATOM 0 H GLY A 4 -6.413 23.081 14.515 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.382 22.369 16.256 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.400 21.116 15.031 1.00 0.00 H new ATOM 37 N SER A 5 -2.589 23.074 14.421 1.00 0.00 N ATOM 38 CA SER A 5 -1.743 23.912 13.579 1.00 0.00 C ATOM 39 C SER A 5 -0.348 23.310 13.441 1.00 0.00 C ATOM 40 O SER A 5 -0.060 22.249 13.995 1.00 0.00 O ATOM 41 CB SER A 5 -1.647 25.324 14.161 1.00 0.00 C ATOM 42 OG SER A 5 -2.887 26.001 14.063 1.00 0.00 O ATOM 0 H SER A 5 -2.080 22.513 15.104 1.00 0.00 H new ATOM 0 HA SER A 5 -2.196 23.965 12.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.340 25.270 15.206 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.879 25.887 13.632 1.00 0.00 H new ATOM 0 HG SER A 5 -3.566 25.390 13.709 1.00 0.00 H new ATOM 48 N SER A 6 0.515 23.996 12.699 1.00 0.00 N ATOM 49 CA SER A 6 1.880 23.529 12.484 1.00 0.00 C ATOM 50 C SER A 6 2.788 24.680 12.062 1.00 0.00 C ATOM 51 O SER A 6 2.324 25.692 11.539 1.00 0.00 O ATOM 52 CB SER A 6 1.903 22.429 11.421 1.00 0.00 C ATOM 53 OG SER A 6 1.343 21.226 11.919 1.00 0.00 O ATOM 0 H SER A 6 0.293 24.878 12.236 1.00 0.00 H new ATOM 0 HA SER A 6 2.252 23.123 13.425 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.347 22.756 10.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.929 22.250 11.100 1.00 0.00 H new ATOM 0 HG SER A 6 0.893 21.403 12.772 1.00 0.00 H new ATOM 59 N GLY A 7 4.087 24.516 12.293 1.00 0.00 N ATOM 60 CA GLY A 7 5.041 25.548 11.931 1.00 0.00 C ATOM 61 C GLY A 7 6.409 24.983 11.602 1.00 0.00 C ATOM 62 O GLY A 7 7.306 24.981 12.445 1.00 0.00 O ATOM 0 H GLY A 7 4.496 23.687 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.664 26.102 11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.133 26.258 12.753 1.00 0.00 H new ATOM 66 N ARG A 8 6.568 24.502 10.374 1.00 0.00 N ATOM 67 CA ARG A 8 7.836 23.929 9.936 1.00 0.00 C ATOM 68 C ARG A 8 7.796 23.595 8.448 1.00 0.00 C ATOM 69 O ARG A 8 6.841 22.989 7.963 1.00 0.00 O ATOM 70 CB ARG A 8 8.157 22.670 10.744 1.00 0.00 C ATOM 71 CG ARG A 8 9.598 22.209 10.606 1.00 0.00 C ATOM 72 CD ARG A 8 9.792 20.810 11.169 1.00 0.00 C ATOM 73 NE ARG A 8 10.063 20.830 12.604 1.00 0.00 N ATOM 74 CZ ARG A 8 9.112 20.868 13.531 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.835 20.889 13.175 1.00 0.00 N ATOM 76 NH2 ARG A 8 9.438 20.884 14.817 1.00 0.00 N ATOM 0 H ARG A 8 5.835 24.497 9.664 1.00 0.00 H new ATOM 0 HA ARG A 8 8.618 24.669 10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.944 22.860 11.796 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.495 21.865 10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.886 22.223 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.255 22.906 11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.899 20.215 10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.618 20.322 10.651 1.00 0.00 H new ATOM 0 HE ARG A 8 11.035 20.814 12.911 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.581 20.876 12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.107 20.918 13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.419 20.867 15.095 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.707 20.913 15.528 1.00 0.00 H new ATOM 90 N SER A 9 8.840 23.994 7.729 1.00 0.00 N ATOM 91 CA SER A 9 8.923 23.741 6.295 1.00 0.00 C ATOM 92 C SER A 9 8.590 22.285 5.981 1.00 0.00 C ATOM 93 O SER A 9 8.769 21.401 6.819 1.00 0.00 O ATOM 94 CB SER A 9 10.322 24.079 5.776 1.00 0.00 C ATOM 95 OG SER A 9 10.532 25.481 5.754 1.00 0.00 O ATOM 0 H SER A 9 9.640 24.494 8.116 1.00 0.00 H new ATOM 0 HA SER A 9 8.194 24.379 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.073 23.605 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.449 23.673 4.772 1.00 0.00 H new ATOM 0 HG SER A 9 11.434 25.672 5.420 1.00 0.00 H new ATOM 101 N ILE A 10 8.105 22.045 4.767 1.00 0.00 N ATOM 102 CA ILE A 10 7.748 20.698 4.341 1.00 0.00 C ATOM 103 C ILE A 10 8.523 20.293 3.091 1.00 0.00 C ATOM 104 O ILE A 10 8.457 20.966 2.062 1.00 0.00 O ATOM 105 CB ILE A 10 6.239 20.579 4.056 1.00 0.00 C ATOM 106 CG1 ILE A 10 5.430 21.053 5.266 1.00 0.00 C ATOM 107 CG2 ILE A 10 5.878 19.145 3.700 1.00 0.00 C ATOM 108 CD1 ILE A 10 5.513 20.117 6.451 1.00 0.00 C ATOM 0 H ILE A 10 7.951 22.766 4.062 1.00 0.00 H new ATOM 0 HA ILE A 10 8.009 20.028 5.161 1.00 0.00 H new ATOM 0 HB ILE A 10 5.994 21.216 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.784 22.039 5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.386 21.165 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.808 19.078 3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.432 18.840 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.135 18.488 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.916 20.515 7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.131 19.136 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.551 20.024 6.769 1.00 0.00 H new ATOM 120 N ARG A 11 9.256 19.189 3.188 1.00 0.00 N ATOM 121 CA ARG A 11 10.043 18.694 2.066 1.00 0.00 C ATOM 122 C ARG A 11 9.137 18.187 0.948 1.00 0.00 C ATOM 123 O ARG A 11 9.350 18.495 -0.226 1.00 0.00 O ATOM 124 CB ARG A 11 10.978 17.574 2.526 1.00 0.00 C ATOM 125 CG ARG A 11 12.197 18.071 3.285 1.00 0.00 C ATOM 126 CD ARG A 11 13.386 17.141 3.101 1.00 0.00 C ATOM 127 NE ARG A 11 13.327 15.993 4.001 1.00 0.00 N ATOM 128 CZ ARG A 11 13.708 16.035 5.273 1.00 0.00 C ATOM 129 NH1 ARG A 11 14.172 17.164 5.792 1.00 0.00 N ATOM 130 NH2 ARG A 11 13.624 14.948 6.029 1.00 0.00 N ATOM 0 H ARG A 11 9.321 18.620 4.032 1.00 0.00 H new ATOM 0 HA ARG A 11 10.639 19.521 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.421 16.885 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.309 17.008 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.459 19.071 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.958 18.153 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.416 16.791 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.309 17.693 3.278 1.00 0.00 H new ATOM 0 HE ARG A 11 12.974 15.110 3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.237 18.002 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.464 17.194 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.266 14.078 5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.917 14.982 7.005 1.00 0.00 H new ATOM 144 N LEU A 12 8.127 17.409 1.319 1.00 0.00 N ATOM 145 CA LEU A 12 7.188 16.858 0.347 1.00 0.00 C ATOM 146 C LEU A 12 6.559 17.967 -0.490 1.00 0.00 C ATOM 147 O LEU A 12 6.526 19.133 -0.097 1.00 0.00 O ATOM 148 CB LEU A 12 6.095 16.060 1.060 1.00 0.00 C ATOM 149 CG LEU A 12 6.453 14.622 1.439 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.517 13.744 0.198 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.774 14.582 2.192 1.00 0.00 C ATOM 0 H LEU A 12 7.937 17.145 2.286 1.00 0.00 H new ATOM 0 HA LEU A 12 7.739 16.193 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.816 16.595 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.213 16.037 0.420 1.00 0.00 H new ATOM 0 HG LEU A 12 5.673 14.234 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.773 12.724 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.548 13.748 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.276 14.130 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.013 13.551 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.565 14.989 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.693 15.177 3.101 1.00 0.00 H new ATOM 163 N PRO A 13 6.046 17.597 -1.673 1.00 0.00 N ATOM 164 CA PRO A 13 5.405 18.545 -2.590 1.00 0.00 C ATOM 165 C PRO A 13 4.070 19.053 -2.058 1.00 0.00 C ATOM 166 O PRO A 13 3.068 18.339 -2.088 1.00 0.00 O ATOM 167 CB PRO A 13 5.196 17.721 -3.863 1.00 0.00 C ATOM 168 CG PRO A 13 5.131 16.308 -3.393 1.00 0.00 C ATOM 169 CD PRO A 13 6.050 16.224 -2.206 1.00 0.00 C ATOM 0 HA PRO A 13 6.009 19.440 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.279 18.010 -4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.015 17.867 -4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.112 16.035 -3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.444 15.621 -4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.690 15.506 -1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.052 15.908 -2.495 1.00 0.00 H new ATOM 177 N GLU A 14 4.063 20.291 -1.574 1.00 0.00 N ATOM 178 CA GLU A 14 2.850 20.894 -1.035 1.00 0.00 C ATOM 179 C GLU A 14 1.734 20.893 -2.077 1.00 0.00 C ATOM 180 O GLU A 14 0.550 20.890 -1.736 1.00 0.00 O ATOM 181 CB GLU A 14 3.127 22.325 -0.570 1.00 0.00 C ATOM 182 CG GLU A 14 3.522 23.265 -1.697 1.00 0.00 C ATOM 183 CD GLU A 14 4.114 24.566 -1.190 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.332 25.475 -0.838 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.357 24.676 -1.146 1.00 0.00 O ATOM 0 H GLU A 14 4.884 20.896 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 14 2.528 20.299 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.237 22.716 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.923 22.309 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.246 22.768 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.646 23.482 -2.308 1.00 0.00 H new ATOM 192 N THR A 15 2.120 20.897 -3.349 1.00 0.00 N ATOM 193 CA THR A 15 1.154 20.898 -4.440 1.00 0.00 C ATOM 194 C THR A 15 0.554 19.512 -4.646 1.00 0.00 C ATOM 195 O THR A 15 -0.191 19.283 -5.599 1.00 0.00 O ATOM 196 CB THR A 15 1.797 21.367 -5.759 1.00 0.00 C ATOM 197 OG1 THR A 15 3.022 20.660 -5.985 1.00 0.00 O ATOM 198 CG2 THR A 15 2.068 22.863 -5.727 1.00 0.00 C ATOM 0 H THR A 15 3.095 20.900 -3.649 1.00 0.00 H new ATOM 0 HA THR A 15 0.364 21.595 -4.161 1.00 0.00 H new ATOM 0 HB THR A 15 1.101 21.157 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.424 20.962 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.522 23.171 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.130 23.400 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.746 23.092 -4.905 1.00 0.00 H new ATOM 206 N ILE A 16 0.882 18.591 -3.746 1.00 0.00 N ATOM 207 CA ILE A 16 0.374 17.228 -3.828 1.00 0.00 C ATOM 208 C ILE A 16 -0.030 16.708 -2.452 1.00 0.00 C ATOM 209 O ILE A 16 0.438 17.205 -1.428 1.00 0.00 O ATOM 210 CB ILE A 16 1.416 16.274 -4.440 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.018 16.885 -5.707 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.784 14.924 -4.745 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.206 16.117 -6.243 1.00 0.00 C ATOM 0 H ILE A 16 1.498 18.765 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.503 17.257 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 16 2.217 16.123 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.249 16.933 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.323 17.910 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.533 14.261 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.399 14.486 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.034 15.057 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.581 16.607 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.993 16.091 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.902 15.099 -6.486 1.00 0.00 H new ATOM 225 N ASP A 17 -0.899 15.703 -2.438 1.00 0.00 N ATOM 226 CA ASP A 17 -1.364 15.113 -1.188 1.00 0.00 C ATOM 227 C ASP A 17 -1.186 13.598 -1.203 1.00 0.00 C ATOM 228 O ASP A 17 -1.865 12.890 -1.947 1.00 0.00 O ATOM 229 CB ASP A 17 -2.833 15.464 -0.948 1.00 0.00 C ATOM 230 CG ASP A 17 -3.312 15.045 0.428 1.00 0.00 C ATOM 231 OD1 ASP A 17 -3.330 13.827 0.705 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.667 15.935 1.228 1.00 0.00 O ATOM 0 H ASP A 17 -1.295 15.280 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.764 15.524 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.970 16.539 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.448 14.979 -1.706 1.00 0.00 H new ATOM 237 N LEU A 18 -0.267 13.107 -0.378 1.00 0.00 N ATOM 238 CA LEU A 18 0.002 11.676 -0.298 1.00 0.00 C ATOM 239 C LEU A 18 -1.298 10.877 -0.281 1.00 0.00 C ATOM 240 O LEU A 18 -1.475 9.943 -1.062 1.00 0.00 O ATOM 241 CB LEU A 18 0.822 11.361 0.954 1.00 0.00 C ATOM 242 CG LEU A 18 2.342 11.365 0.779 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.030 11.661 2.103 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.817 10.035 0.215 1.00 0.00 C ATOM 0 H LEU A 18 0.304 13.679 0.244 1.00 0.00 H new ATOM 0 HA LEU A 18 0.572 11.389 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.563 12.086 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.521 10.381 1.324 1.00 0.00 H new ATOM 0 HG LEU A 18 2.606 12.151 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.111 11.660 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.713 12.638 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.760 10.897 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.900 10.056 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.542 9.231 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.350 9.863 -0.755 1.00 0.00 H new ATOM 256 N GLY A 19 -2.207 11.254 0.613 1.00 0.00 N ATOM 257 CA GLY A 19 -3.480 10.565 0.713 1.00 0.00 C ATOM 258 C GLY A 19 -4.138 10.363 -0.638 1.00 0.00 C ATOM 259 O GLY A 19 -4.541 9.252 -0.980 1.00 0.00 O ATOM 0 H GLY A 19 -2.084 12.025 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.329 9.596 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.149 11.135 1.358 1.00 0.00 H new ATOM 263 N ALA A 20 -4.248 11.441 -1.407 1.00 0.00 N ATOM 264 CA ALA A 20 -4.861 11.377 -2.728 1.00 0.00 C ATOM 265 C ALA A 20 -4.053 10.486 -3.666 1.00 0.00 C ATOM 266 O ALA A 20 -4.615 9.771 -4.497 1.00 0.00 O ATOM 267 CB ALA A 20 -5.000 12.775 -3.314 1.00 0.00 C ATOM 0 H ALA A 20 -3.921 12.369 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.854 10.940 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.459 12.712 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.626 13.383 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.015 13.233 -3.401 1.00 0.00 H new ATOM 273 N LEU A 21 -2.733 10.535 -3.529 1.00 0.00 N ATOM 274 CA LEU A 21 -1.847 9.732 -4.365 1.00 0.00 C ATOM 275 C LEU A 21 -2.065 8.243 -4.116 1.00 0.00 C ATOM 276 O LEU A 21 -2.279 7.472 -5.052 1.00 0.00 O ATOM 277 CB LEU A 21 -0.387 10.097 -4.092 1.00 0.00 C ATOM 278 CG LEU A 21 0.644 9.508 -5.056 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.083 8.276 -5.749 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.074 10.549 -6.079 1.00 0.00 C ATOM 0 H LEU A 21 -2.252 11.122 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.080 9.945 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.295 11.183 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.136 9.775 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 21 1.521 9.209 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.830 7.870 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.174 7.524 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.810 8.549 -6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.808 10.112 -6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.206 10.880 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.517 11.402 -5.566 1.00 0.00 H new ATOM 292 N TYR A 22 -2.012 7.846 -2.850 1.00 0.00 N ATOM 293 CA TYR A 22 -2.204 6.449 -2.479 1.00 0.00 C ATOM 294 C TYR A 22 -3.482 5.891 -3.098 1.00 0.00 C ATOM 295 O TYR A 22 -3.551 4.714 -3.454 1.00 0.00 O ATOM 296 CB TYR A 22 -2.258 6.307 -0.957 1.00 0.00 C ATOM 297 CG TYR A 22 -2.888 5.014 -0.491 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.160 3.830 -0.472 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.212 4.975 -0.070 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.733 2.647 -0.048 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.792 3.797 0.357 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.048 2.635 0.366 1.00 0.00 C ATOM 303 OH TYR A 22 -4.623 1.458 0.789 1.00 0.00 O ATOM 0 H TYR A 22 -1.838 8.471 -2.063 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.358 5.879 -2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.246 6.372 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.819 7.145 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.129 3.835 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.798 5.882 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.154 1.736 -0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.822 3.785 0.682 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.440 1.656 1.293 1.00 0.00 H new ATOM 313 N LEU A 23 -4.492 6.745 -3.224 1.00 0.00 N ATOM 314 CA LEU A 23 -5.769 6.339 -3.801 1.00 0.00 C ATOM 315 C LEU A 23 -5.607 5.960 -5.270 1.00 0.00 C ATOM 316 O LEU A 23 -6.187 4.979 -5.735 1.00 0.00 O ATOM 317 CB LEU A 23 -6.794 7.466 -3.664 1.00 0.00 C ATOM 318 CG LEU A 23 -7.238 7.800 -2.239 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.798 9.212 -2.171 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.268 6.792 -1.751 1.00 0.00 C ATOM 0 H LEU A 23 -4.452 7.722 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.124 5.464 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.376 8.367 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.677 7.200 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.367 7.745 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.109 9.431 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.031 9.923 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.657 9.295 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.572 7.045 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.138 6.814 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.832 5.793 -1.761 1.00 0.00 H new ATOM 332 N SER A 24 -4.813 6.743 -5.993 1.00 0.00 N ATOM 333 CA SER A 24 -4.576 6.490 -7.410 1.00 0.00 C ATOM 334 C SER A 24 -3.892 5.141 -7.614 1.00 0.00 C ATOM 335 O SER A 24 -4.049 4.505 -8.655 1.00 0.00 O ATOM 336 CB SER A 24 -3.719 7.605 -8.012 1.00 0.00 C ATOM 337 OG SER A 24 -4.511 8.732 -8.347 1.00 0.00 O ATOM 0 H SER A 24 -4.323 7.557 -5.622 1.00 0.00 H new ATOM 0 HA SER A 24 -5.541 6.469 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.946 7.898 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.210 7.236 -8.903 1.00 0.00 H new ATOM 0 HG SER A 24 -3.940 9.431 -8.728 1.00 0.00 H new ATOM 343 N MET A 25 -3.132 4.713 -6.611 1.00 0.00 N ATOM 344 CA MET A 25 -2.424 3.439 -6.680 1.00 0.00 C ATOM 345 C MET A 25 -3.358 2.280 -6.345 1.00 0.00 C ATOM 346 O MET A 25 -3.086 1.131 -6.693 1.00 0.00 O ATOM 347 CB MET A 25 -1.232 3.442 -5.721 1.00 0.00 C ATOM 348 CG MET A 25 -0.492 4.769 -5.676 1.00 0.00 C ATOM 349 SD MET A 25 0.921 4.738 -4.556 1.00 0.00 S ATOM 350 CE MET A 25 2.269 5.013 -5.704 1.00 0.00 C ATOM 0 H MET A 25 -2.991 5.228 -5.742 1.00 0.00 H new ATOM 0 HA MET A 25 -2.061 3.307 -7.699 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.582 3.196 -4.718 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.536 2.657 -6.017 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.150 5.024 -6.679 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.181 5.554 -5.364 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.120 4.393 -5.421 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.948 4.751 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.561 6.063 -5.678 1.00 0.00 H new ATOM 360 N LYS A 26 -4.459 2.589 -5.668 1.00 0.00 N ATOM 361 CA LYS A 26 -5.433 1.574 -5.287 1.00 0.00 C ATOM 362 C LYS A 26 -6.269 1.144 -6.489 1.00 0.00 C ATOM 363 O LYS A 26 -6.892 0.082 -6.476 1.00 0.00 O ATOM 364 CB LYS A 26 -6.347 2.105 -4.181 1.00 0.00 C ATOM 365 CG LYS A 26 -5.660 2.228 -2.832 1.00 0.00 C ATOM 366 CD LYS A 26 -6.641 2.041 -1.687 1.00 0.00 C ATOM 367 CE LYS A 26 -7.799 3.023 -1.779 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.699 2.932 -0.595 1.00 0.00 N ATOM 0 H LYS A 26 -4.699 3.535 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.889 0.706 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.729 3.082 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.207 1.443 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.867 1.484 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.188 3.207 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.026 1.021 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.123 2.175 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.409 4.038 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.371 2.826 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.475 3.617 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.091 1.971 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.160 3.145 0.268 1.00 0.00 H new ATOM 382 N ASP A 27 -6.277 1.975 -7.526 1.00 0.00 N ATOM 383 CA ASP A 27 -7.034 1.679 -8.736 1.00 0.00 C ATOM 384 C ASP A 27 -6.537 0.393 -9.388 1.00 0.00 C ATOM 385 O ASP A 27 -5.377 0.010 -9.227 1.00 0.00 O ATOM 386 CB ASP A 27 -6.929 2.841 -9.726 1.00 0.00 C ATOM 387 CG ASP A 27 -8.050 2.836 -10.746 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.111 1.887 -11.556 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.866 3.780 -10.735 1.00 0.00 O ATOM 0 H ASP A 27 -5.768 2.858 -7.552 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.079 1.543 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.944 3.783 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.971 2.788 -10.243 1.00 0.00 H new ATOM 394 N THR A 28 -7.421 -0.272 -10.125 1.00 0.00 N ATOM 395 CA THR A 28 -7.073 -1.516 -10.800 1.00 0.00 C ATOM 396 C THR A 28 -6.416 -1.245 -12.149 1.00 0.00 C ATOM 397 O THR A 28 -5.532 -1.985 -12.577 1.00 0.00 O ATOM 398 CB THR A 28 -8.313 -2.405 -11.014 1.00 0.00 C ATOM 399 OG1 THR A 28 -7.914 -3.770 -11.179 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.100 -1.950 -12.234 1.00 0.00 C ATOM 0 H THR A 28 -8.384 0.031 -10.270 1.00 0.00 H new ATOM 0 HA THR A 28 -6.367 -2.039 -10.155 1.00 0.00 H new ATOM 0 HB THR A 28 -8.952 -2.318 -10.135 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.708 -4.329 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.971 -2.592 -12.365 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.427 -0.920 -12.093 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.467 -2.012 -13.119 1.00 0.00 H new ATOM 408 N GLU A 29 -6.855 -0.180 -12.812 1.00 0.00 N ATOM 409 CA GLU A 29 -6.309 0.187 -14.113 1.00 0.00 C ATOM 410 C GLU A 29 -5.456 1.448 -14.009 1.00 0.00 C ATOM 411 O GLU A 29 -4.560 1.675 -14.822 1.00 0.00 O ATOM 412 CB GLU A 29 -7.438 0.403 -15.123 1.00 0.00 C ATOM 413 CG GLU A 29 -8.640 1.130 -14.545 1.00 0.00 C ATOM 414 CD GLU A 29 -9.370 1.964 -15.579 1.00 0.00 C ATOM 415 OE1 GLU A 29 -10.017 1.373 -16.469 1.00 0.00 O ATOM 416 OE2 GLU A 29 -9.294 3.208 -15.499 1.00 0.00 O ATOM 0 H GLU A 29 -7.586 0.443 -12.470 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.676 -0.631 -14.457 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.053 0.971 -15.970 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.760 -0.565 -15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.330 0.402 -14.118 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.312 1.775 -13.729 1.00 0.00 H new ATOM 423 N LYS A 30 -5.743 2.267 -13.003 1.00 0.00 N ATOM 424 CA LYS A 30 -5.004 3.506 -12.790 1.00 0.00 C ATOM 425 C LYS A 30 -4.133 3.412 -11.541 1.00 0.00 C ATOM 426 O LYS A 30 -3.630 4.419 -11.046 1.00 0.00 O ATOM 427 CB LYS A 30 -5.971 4.685 -12.662 1.00 0.00 C ATOM 428 CG LYS A 30 -7.058 4.698 -13.723 1.00 0.00 C ATOM 429 CD LYS A 30 -6.595 5.403 -14.987 1.00 0.00 C ATOM 430 CE LYS A 30 -7.764 6.012 -15.745 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.488 7.025 -14.929 1.00 0.00 N ATOM 0 H LYS A 30 -6.483 2.095 -12.322 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.357 3.666 -13.652 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.437 4.657 -11.677 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.406 5.615 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.347 3.674 -13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.944 5.197 -13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.881 6.185 -14.728 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.073 4.694 -15.630 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.400 6.477 -16.661 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.455 5.223 -16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.589 7.904 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.430 6.662 -14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.951 7.218 -14.059 1.00 0.00 H new ATOM 445 N GLY A 31 -3.957 2.194 -11.038 1.00 0.00 N ATOM 446 CA GLY A 31 -3.145 1.991 -9.852 1.00 0.00 C ATOM 447 C GLY A 31 -1.983 1.049 -10.100 1.00 0.00 C ATOM 448 O GLY A 31 -1.783 0.581 -11.221 1.00 0.00 O ATOM 0 H GLY A 31 -4.362 1.344 -11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.763 2.952 -9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.769 1.591 -9.052 1.00 0.00 H new ATOM 452 N ILE A 32 -1.214 0.773 -9.052 1.00 0.00 N ATOM 453 CA ILE A 32 -0.066 -0.119 -9.161 1.00 0.00 C ATOM 454 C ILE A 32 -0.505 -1.579 -9.193 1.00 0.00 C ATOM 455 O ILE A 32 -1.265 -2.029 -8.336 1.00 0.00 O ATOM 456 CB ILE A 32 0.918 0.085 -7.994 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.442 1.522 -7.986 1.00 0.00 C ATOM 458 CG2 ILE A 32 2.069 -0.905 -8.094 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.172 1.891 -6.713 1.00 0.00 C ATOM 0 H ILE A 32 -1.365 1.154 -8.118 1.00 0.00 H new ATOM 0 HA ILE A 32 0.437 0.127 -10.096 1.00 0.00 H new ATOM 0 HB ILE A 32 0.391 -0.094 -7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.113 1.660 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.605 2.206 -8.127 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.756 -0.749 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.679 -1.922 -8.056 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.598 -0.754 -9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.516 2.923 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.498 1.785 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.029 1.231 -6.581 1.00 0.00 H new ATOM 471 N LYS A 33 -0.019 -2.315 -10.186 1.00 0.00 N ATOM 472 CA LYS A 33 -0.357 -3.727 -10.330 1.00 0.00 C ATOM 473 C LYS A 33 0.386 -4.571 -9.299 1.00 0.00 C ATOM 474 O LYS A 33 1.438 -4.174 -8.801 1.00 0.00 O ATOM 475 CB LYS A 33 -0.020 -4.212 -11.741 1.00 0.00 C ATOM 476 CG LYS A 33 1.469 -4.382 -11.987 1.00 0.00 C ATOM 477 CD LYS A 33 1.741 -5.406 -13.076 1.00 0.00 C ATOM 478 CE LYS A 33 3.189 -5.356 -13.538 1.00 0.00 C ATOM 479 NZ LYS A 33 3.406 -6.163 -14.771 1.00 0.00 N ATOM 0 H LYS A 33 0.611 -1.957 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.428 -3.838 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.520 -5.164 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.421 -3.503 -12.465 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.904 -3.424 -12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.958 -4.693 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.511 -6.404 -12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.081 -5.222 -13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.475 -4.321 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.837 -5.726 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.425 -6.229 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.017 -7.118 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.928 -5.706 -15.574 1.00 0.00 H new ATOM 493 N GLU A 34 -0.170 -5.738 -8.986 1.00 0.00 N ATOM 494 CA GLU A 34 0.442 -6.638 -8.015 1.00 0.00 C ATOM 495 C GLU A 34 0.902 -7.929 -8.686 1.00 0.00 C ATOM 496 O GLU A 34 0.131 -8.589 -9.384 1.00 0.00 O ATOM 497 CB GLU A 34 -0.545 -6.958 -6.891 1.00 0.00 C ATOM 498 CG GLU A 34 -1.207 -5.728 -6.293 1.00 0.00 C ATOM 499 CD GLU A 34 -2.592 -6.017 -5.747 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.115 -7.120 -6.012 1.00 0.00 O ATOM 501 OE2 GLU A 34 -3.152 -5.142 -5.056 1.00 0.00 O ATOM 0 H GLU A 34 -1.041 -6.082 -9.390 1.00 0.00 H new ATOM 0 HA GLU A 34 1.313 -6.138 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.317 -7.625 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.021 -7.498 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.580 -5.336 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.276 -4.951 -7.054 1.00 0.00 H new ATOM 508 N LEU A 35 2.164 -8.284 -8.469 1.00 0.00 N ATOM 509 CA LEU A 35 2.729 -9.496 -9.052 1.00 0.00 C ATOM 510 C LEU A 35 2.870 -10.591 -8.000 1.00 0.00 C ATOM 511 O LEU A 35 2.643 -10.359 -6.813 1.00 0.00 O ATOM 512 CB LEU A 35 4.092 -9.196 -9.679 1.00 0.00 C ATOM 513 CG LEU A 35 4.090 -8.215 -10.852 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.862 -8.428 -11.723 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.147 -6.781 -10.347 1.00 0.00 C ATOM 0 H LEU A 35 2.815 -7.750 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 35 2.049 -9.848 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.748 -8.802 -8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.528 -10.136 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 35 4.976 -8.401 -11.459 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.877 -7.721 -12.553 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.865 -9.446 -12.113 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.962 -8.270 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.145 -6.096 -11.195 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.279 -6.582 -9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.058 -6.636 -9.766 1.00 0.00 H new ATOM 527 N ASN A 36 3.249 -11.785 -8.443 1.00 0.00 N ATOM 528 CA ASN A 36 3.423 -12.917 -7.540 1.00 0.00 C ATOM 529 C ASN A 36 4.822 -13.511 -7.675 1.00 0.00 C ATOM 530 O ASN A 36 5.112 -14.234 -8.629 1.00 0.00 O ATOM 531 CB ASN A 36 2.371 -13.990 -7.825 1.00 0.00 C ATOM 532 CG ASN A 36 2.197 -14.249 -9.310 1.00 0.00 C ATOM 533 OD1 ASN A 36 3.128 -14.073 -10.095 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.999 -14.669 -9.700 1.00 0.00 N ATOM 0 H ASN A 36 3.442 -11.994 -9.423 1.00 0.00 H new ATOM 0 HA ASN A 36 3.298 -12.557 -6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.658 -14.917 -7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.417 -13.682 -7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.822 -14.860 -10.686 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.256 -14.801 -9.013 1.00 0.00 H new ATOM 541 N LEU A 37 5.685 -13.203 -6.713 1.00 0.00 N ATOM 542 CA LEU A 37 7.054 -13.706 -6.723 1.00 0.00 C ATOM 543 C LEU A 37 7.335 -14.543 -5.479 1.00 0.00 C ATOM 544 O LEU A 37 6.690 -14.371 -4.445 1.00 0.00 O ATOM 545 CB LEU A 37 8.045 -12.544 -6.805 1.00 0.00 C ATOM 546 CG LEU A 37 7.786 -11.518 -7.909 1.00 0.00 C ATOM 547 CD1 LEU A 37 8.324 -10.154 -7.506 1.00 0.00 C ATOM 548 CD2 LEU A 37 8.412 -11.975 -9.219 1.00 0.00 C ATOM 0 H LEU A 37 5.461 -12.607 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 37 7.176 -14.341 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.045 -12.025 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.045 -12.955 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 37 6.709 -11.433 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.131 -9.437 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.830 -9.823 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.398 -10.223 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.218 -11.233 -9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.488 -12.089 -9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.979 -12.930 -9.515 1.00 0.00 H new ATOM 560 N GLU A 38 8.304 -15.447 -5.586 1.00 0.00 N ATOM 561 CA GLU A 38 8.671 -16.309 -4.469 1.00 0.00 C ATOM 562 C GLU A 38 10.123 -16.080 -4.060 1.00 0.00 C ATOM 563 O GLU A 38 11.048 -16.562 -4.715 1.00 0.00 O ATOM 564 CB GLU A 38 8.459 -17.778 -4.838 1.00 0.00 C ATOM 565 CG GLU A 38 8.733 -18.739 -3.693 1.00 0.00 C ATOM 566 CD GLU A 38 8.001 -20.058 -3.851 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.032 -20.625 -4.963 1.00 0.00 O ATOM 568 OE2 GLU A 38 7.397 -20.523 -2.862 1.00 0.00 O ATOM 0 H GLU A 38 8.849 -15.601 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 38 8.030 -16.059 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.432 -17.914 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.108 -18.031 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.805 -18.928 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.436 -18.273 -2.753 1.00 0.00 H new ATOM 575 N LYS A 39 10.317 -15.341 -2.973 1.00 0.00 N ATOM 576 CA LYS A 39 11.655 -15.048 -2.474 1.00 0.00 C ATOM 577 C LYS A 39 11.786 -15.439 -1.006 1.00 0.00 C ATOM 578 O LYS A 39 10.821 -15.363 -0.245 1.00 0.00 O ATOM 579 CB LYS A 39 11.972 -13.561 -2.648 1.00 0.00 C ATOM 580 CG LYS A 39 13.390 -13.191 -2.250 1.00 0.00 C ATOM 581 CD LYS A 39 14.385 -13.537 -3.345 1.00 0.00 C ATOM 582 CE LYS A 39 14.502 -12.416 -4.366 1.00 0.00 C ATOM 583 NZ LYS A 39 15.526 -12.717 -5.406 1.00 0.00 N ATOM 0 H LYS A 39 9.563 -14.933 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 39 12.368 -15.635 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.812 -13.283 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.272 -12.977 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.442 -12.124 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.660 -13.715 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.362 -13.731 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.074 -14.454 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.535 -12.257 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.763 -11.488 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.575 -11.929 -6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.454 -12.843 -4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.264 -13.589 -5.909 1.00 0.00 H new ATOM 597 N ASP A 40 12.985 -15.855 -0.614 1.00 0.00 N ATOM 598 CA ASP A 40 13.243 -16.255 0.764 1.00 0.00 C ATOM 599 C ASP A 40 12.264 -17.337 1.208 1.00 0.00 C ATOM 600 O ASP A 40 11.769 -17.318 2.336 1.00 0.00 O ATOM 601 CB ASP A 40 13.143 -15.046 1.696 1.00 0.00 C ATOM 602 CG ASP A 40 14.405 -14.206 1.692 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.308 -14.488 2.508 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.491 -13.267 0.874 1.00 0.00 O ATOM 0 H ASP A 40 13.794 -15.924 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 40 14.253 -16.661 0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.297 -14.428 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.941 -15.389 2.711 1.00 0.00 H new ATOM 609 N LYS A 41 11.988 -18.281 0.315 1.00 0.00 N ATOM 610 CA LYS A 41 11.068 -19.372 0.613 1.00 0.00 C ATOM 611 C LYS A 41 9.688 -18.836 0.978 1.00 0.00 C ATOM 612 O LYS A 41 8.939 -19.473 1.719 1.00 0.00 O ATOM 613 CB LYS A 41 11.614 -20.228 1.758 1.00 0.00 C ATOM 614 CG LYS A 41 12.905 -20.951 1.415 1.00 0.00 C ATOM 615 CD LYS A 41 12.643 -22.189 0.574 1.00 0.00 C ATOM 616 CE LYS A 41 13.880 -23.069 0.478 1.00 0.00 C ATOM 617 NZ LYS A 41 14.083 -23.879 1.711 1.00 0.00 N ATOM 0 H LYS A 41 12.389 -18.312 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 41 10.974 -19.989 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.783 -19.592 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.861 -20.963 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.569 -20.276 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.419 -21.236 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.822 -22.759 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.329 -21.891 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.787 -23.733 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.757 -22.445 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.936 -24.465 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.197 -23.245 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.258 -24.494 1.862 1.00 0.00 H new ATOM 631 N LYS A 42 9.356 -17.662 0.452 1.00 0.00 N ATOM 632 CA LYS A 42 8.064 -17.041 0.719 1.00 0.00 C ATOM 633 C LYS A 42 7.462 -16.466 -0.559 1.00 0.00 C ATOM 634 O LYS A 42 8.172 -15.898 -1.390 1.00 0.00 O ATOM 635 CB LYS A 42 8.214 -15.935 1.767 1.00 0.00 C ATOM 636 CG LYS A 42 8.642 -16.446 3.132 1.00 0.00 C ATOM 637 CD LYS A 42 8.851 -15.304 4.113 1.00 0.00 C ATOM 638 CE LYS A 42 10.280 -14.787 4.070 1.00 0.00 C ATOM 639 NZ LYS A 42 10.440 -13.531 4.855 1.00 0.00 N ATOM 0 H LYS A 42 9.964 -17.121 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 42 7.392 -17.809 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.946 -15.208 1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.265 -15.409 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.885 -17.127 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.565 -17.017 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.162 -14.492 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.615 -15.642 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.954 -15.549 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.570 -14.608 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.428 -13.211 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.816 -12.796 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.188 -13.708 5.848 1.00 0.00 H new ATOM 653 N ILE A 43 6.150 -16.615 -0.709 1.00 0.00 N ATOM 654 CA ILE A 43 5.453 -16.108 -1.884 1.00 0.00 C ATOM 655 C ILE A 43 4.541 -14.942 -1.522 1.00 0.00 C ATOM 656 O ILE A 43 3.427 -15.138 -1.035 1.00 0.00 O ATOM 657 CB ILE A 43 4.615 -17.210 -2.561 1.00 0.00 C ATOM 658 CG1 ILE A 43 5.476 -18.448 -2.821 1.00 0.00 C ATOM 659 CG2 ILE A 43 4.012 -16.694 -3.859 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.754 -19.534 -3.587 1.00 0.00 C ATOM 0 H ILE A 43 5.548 -17.083 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 43 6.218 -15.765 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 43 3.801 -17.491 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.366 -18.152 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.816 -18.851 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.423 -17.484 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.370 -15.839 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.811 -16.389 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.424 -20.381 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.879 -19.857 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.438 -19.147 -4.556 1.00 0.00 H new ATOM 672 N PHE A 44 5.020 -13.726 -1.764 1.00 0.00 N ATOM 673 CA PHE A 44 4.247 -12.526 -1.464 1.00 0.00 C ATOM 674 C PHE A 44 3.161 -12.302 -2.512 1.00 0.00 C ATOM 675 O PHE A 44 3.396 -11.668 -3.540 1.00 0.00 O ATOM 676 CB PHE A 44 5.166 -11.305 -1.397 1.00 0.00 C ATOM 677 CG PHE A 44 6.267 -11.438 -0.384 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.422 -12.142 -0.685 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.148 -10.858 0.869 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.436 -12.266 0.246 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.158 -10.979 1.804 1.00 0.00 C ATOM 682 CZ PHE A 44 8.305 -11.683 1.491 1.00 0.00 C ATOM 0 H PHE A 44 5.940 -13.546 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 44 3.769 -12.666 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.606 -11.137 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.570 -10.424 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.531 -12.599 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.255 -10.304 1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.331 -12.819 -0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.051 -10.524 2.778 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.098 -11.777 2.219 1.00 0.00 H new ATOM 692 N ASN A 45 1.970 -12.829 -2.243 1.00 0.00 N ATOM 693 CA ASN A 45 0.847 -12.688 -3.163 1.00 0.00 C ATOM 694 C ASN A 45 0.276 -11.275 -3.112 1.00 0.00 C ATOM 695 O ASN A 45 0.363 -10.595 -2.089 1.00 0.00 O ATOM 696 CB ASN A 45 -0.245 -13.705 -2.826 1.00 0.00 C ATOM 697 CG ASN A 45 0.201 -15.134 -3.068 1.00 0.00 C ATOM 698 OD1 ASN A 45 -0.147 -15.742 -4.081 1.00 0.00 O ATOM 699 ND2 ASN A 45 0.974 -15.678 -2.136 1.00 0.00 N ATOM 0 H ASN A 45 1.758 -13.357 -1.396 1.00 0.00 H new ATOM 0 HA ASN A 45 1.211 -12.877 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.535 -13.590 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.130 -13.497 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.304 -16.637 -2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.238 -15.137 -1.313 1.00 0.00 H new ATOM 706 N HIS A 46 -0.310 -10.838 -4.222 1.00 0.00 N ATOM 707 CA HIS A 46 -0.898 -9.506 -4.304 1.00 0.00 C ATOM 708 C HIS A 46 0.108 -8.441 -3.877 1.00 0.00 C ATOM 709 O HIS A 46 -0.260 -7.431 -3.277 1.00 0.00 O ATOM 710 CB HIS A 46 -2.148 -9.423 -3.428 1.00 0.00 C ATOM 711 CG HIS A 46 -3.118 -10.541 -3.659 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.722 -10.773 -4.876 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.585 -11.495 -2.820 1.00 0.00 C ATOM 714 CE1 HIS A 46 -4.520 -11.821 -4.776 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.456 -12.277 -3.538 1.00 0.00 N ATOM 0 H HIS A 46 -0.390 -11.387 -5.078 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.177 -9.322 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.848 -9.424 -2.380 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.650 -8.474 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.322 -11.618 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.122 -12.235 -5.571 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.970 -13.080 -3.174 1.00 0.00 H new ATOM 724 N CYS A 47 1.378 -8.675 -4.191 1.00 0.00 N ATOM 725 CA CYS A 47 2.437 -7.737 -3.838 1.00 0.00 C ATOM 726 C CYS A 47 3.140 -7.216 -5.088 1.00 0.00 C ATOM 727 O CYS A 47 3.177 -7.889 -6.118 1.00 0.00 O ATOM 728 CB CYS A 47 3.452 -8.406 -2.910 1.00 0.00 C ATOM 729 SG CYS A 47 4.438 -7.245 -1.935 1.00 0.00 S ATOM 0 H CYS A 47 1.699 -9.506 -4.689 1.00 0.00 H new ATOM 0 HA CYS A 47 1.983 -6.893 -3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.922 -9.075 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.123 -9.023 -3.507 1.00 0.00 H new ATOM 0 HG CYS A 47 4.398 -6.070 -2.489 1.00 0.00 H new ATOM 735 N PHE A 48 3.695 -6.012 -4.990 1.00 0.00 N ATOM 736 CA PHE A 48 4.394 -5.400 -6.114 1.00 0.00 C ATOM 737 C PHE A 48 5.862 -5.157 -5.774 1.00 0.00 C ATOM 738 O PHE A 48 6.270 -5.262 -4.616 1.00 0.00 O ATOM 739 CB PHE A 48 3.724 -4.080 -6.500 1.00 0.00 C ATOM 740 CG PHE A 48 3.233 -3.289 -5.321 1.00 0.00 C ATOM 741 CD1 PHE A 48 2.001 -3.563 -4.750 1.00 0.00 C ATOM 742 CD2 PHE A 48 4.004 -2.270 -4.785 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.547 -2.838 -3.665 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.555 -1.541 -3.700 1.00 0.00 C ATOM 745 CZ PHE A 48 2.325 -1.824 -3.140 1.00 0.00 C ATOM 0 H PHE A 48 3.674 -5.442 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 48 4.343 -6.087 -6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.433 -3.474 -7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.884 -4.288 -7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.388 -4.353 -5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.966 -2.043 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.585 -3.064 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.166 -0.750 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.972 -1.254 -2.293 1.00 0.00 H new ATOM 755 N THR A 49 6.653 -4.832 -6.791 1.00 0.00 N ATOM 756 CA THR A 49 8.076 -4.577 -6.603 1.00 0.00 C ATOM 757 C THR A 49 8.334 -3.105 -6.298 1.00 0.00 C ATOM 758 O THR A 49 7.415 -2.287 -6.314 1.00 0.00 O ATOM 759 CB THR A 49 8.889 -4.983 -7.846 1.00 0.00 C ATOM 760 OG1 THR A 49 8.562 -4.128 -8.947 1.00 0.00 O ATOM 761 CG2 THR A 49 8.615 -6.431 -8.223 1.00 0.00 C ATOM 0 H THR A 49 6.332 -4.739 -7.755 1.00 0.00 H new ATOM 0 HA THR A 49 8.397 -5.183 -5.756 1.00 0.00 H new ATOM 0 HB THR A 49 9.948 -4.880 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.085 -4.392 -9.733 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.200 -6.695 -9.104 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.893 -7.082 -7.394 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.554 -6.556 -8.442 1.00 0.00 H new ATOM 769 N GLY A 50 9.592 -2.775 -6.022 1.00 0.00 N ATOM 770 CA GLY A 50 9.948 -1.401 -5.719 1.00 0.00 C ATOM 771 C GLY A 50 9.910 -0.508 -6.943 1.00 0.00 C ATOM 772 O GLY A 50 9.475 0.640 -6.868 1.00 0.00 O ATOM 0 H GLY A 50 10.370 -3.434 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.264 -1.009 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.948 -1.375 -5.285 1.00 0.00 H new ATOM 776 N ASN A 51 10.368 -1.036 -8.073 1.00 0.00 N ATOM 777 CA ASN A 51 10.386 -0.278 -9.319 1.00 0.00 C ATOM 778 C ASN A 51 8.983 0.193 -9.689 1.00 0.00 C ATOM 779 O ASN A 51 8.756 1.383 -9.914 1.00 0.00 O ATOM 780 CB ASN A 51 10.965 -1.130 -10.450 1.00 0.00 C ATOM 781 CG ASN A 51 10.776 -0.489 -11.812 1.00 0.00 C ATOM 782 OD1 ASN A 51 9.735 -0.652 -12.448 1.00 0.00 O ATOM 783 ND2 ASN A 51 11.785 0.245 -12.265 1.00 0.00 N ATOM 0 H ASN A 51 10.732 -1.986 -8.152 1.00 0.00 H new ATOM 0 HA ASN A 51 11.018 0.598 -9.173 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.028 -1.291 -10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.488 -2.110 -10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.716 0.701 -13.175 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.630 0.353 -11.703 1.00 0.00 H new ATOM 790 N CYS A 52 8.046 -0.746 -9.750 1.00 0.00 N ATOM 791 CA CYS A 52 6.665 -0.427 -10.093 1.00 0.00 C ATOM 792 C CYS A 52 6.228 0.877 -9.435 1.00 0.00 C ATOM 793 O CYS A 52 5.740 1.789 -10.102 1.00 0.00 O ATOM 794 CB CYS A 52 5.736 -1.565 -9.666 1.00 0.00 C ATOM 795 SG CYS A 52 4.239 -1.712 -10.670 1.00 0.00 S ATOM 0 H CYS A 52 8.217 -1.735 -9.566 1.00 0.00 H new ATOM 0 HA CYS A 52 6.604 -0.304 -11.174 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.286 -2.505 -9.713 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.449 -1.415 -8.625 1.00 0.00 H new ATOM 0 HG CYS A 52 3.348 -2.403 -10.022 1.00 0.00 H new ATOM 801 N VAL A 53 6.406 0.958 -8.120 1.00 0.00 N ATOM 802 CA VAL A 53 6.029 2.150 -7.370 1.00 0.00 C ATOM 803 C VAL A 53 6.622 3.406 -8.000 1.00 0.00 C ATOM 804 O VAL A 53 5.917 4.388 -8.231 1.00 0.00 O ATOM 805 CB VAL A 53 6.490 2.059 -5.903 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.127 3.329 -5.149 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.883 0.838 -5.229 1.00 0.00 C ATOM 0 H VAL A 53 6.809 0.212 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 53 4.941 2.211 -7.399 1.00 0.00 H new ATOM 0 HB VAL A 53 7.575 1.953 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.461 3.246 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.614 4.183 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.046 3.469 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.219 0.789 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.796 0.911 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.198 -0.063 -5.756 1.00 0.00 H new ATOM 817 N ILE A 54 7.921 3.366 -8.275 1.00 0.00 N ATOM 818 CA ILE A 54 8.608 4.500 -8.881 1.00 0.00 C ATOM 819 C ILE A 54 8.076 4.781 -10.282 1.00 0.00 C ATOM 820 O ILE A 54 7.415 5.794 -10.514 1.00 0.00 O ATOM 821 CB ILE A 54 10.128 4.261 -8.959 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.663 3.790 -7.605 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.841 5.529 -9.405 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.507 4.816 -6.504 1.00 0.00 C ATOM 0 H ILE A 54 8.519 2.561 -8.088 1.00 0.00 H new ATOM 0 HA ILE A 54 8.416 5.363 -8.243 1.00 0.00 H new ATOM 0 HB ILE A 54 10.321 3.481 -9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.143 2.877 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.718 3.537 -7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.914 5.344 -9.455 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.477 5.824 -10.389 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.643 6.328 -8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.907 4.414 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.050 5.722 -6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.451 5.051 -6.373 1.00 0.00 H new ATOM 836 N ASP A 55 8.367 3.878 -11.211 1.00 0.00 N ATOM 837 CA ASP A 55 7.915 4.027 -12.590 1.00 0.00 C ATOM 838 C ASP A 55 6.455 4.466 -12.639 1.00 0.00 C ATOM 839 O ASP A 55 6.075 5.300 -13.460 1.00 0.00 O ATOM 840 CB ASP A 55 8.091 2.713 -13.352 1.00 0.00 C ATOM 841 CG ASP A 55 8.199 2.922 -14.849 1.00 0.00 C ATOM 842 OD1 ASP A 55 8.670 4.001 -15.266 1.00 0.00 O ATOM 843 OD2 ASP A 55 7.813 2.006 -15.605 1.00 0.00 O ATOM 0 H ASP A 55 8.914 3.035 -11.035 1.00 0.00 H new ATOM 0 HA ASP A 55 8.523 4.797 -13.064 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.987 2.206 -12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.247 2.057 -13.140 1.00 0.00 H new ATOM 848 N TRP A 56 5.642 3.898 -11.756 1.00 0.00 N ATOM 849 CA TRP A 56 4.223 4.230 -11.699 1.00 0.00 C ATOM 850 C TRP A 56 4.022 5.727 -11.491 1.00 0.00 C ATOM 851 O TRP A 56 3.199 6.352 -12.161 1.00 0.00 O ATOM 852 CB TRP A 56 3.540 3.449 -10.575 1.00 0.00 C ATOM 853 CG TRP A 56 2.058 3.663 -10.518 1.00 0.00 C ATOM 854 CD1 TRP A 56 1.090 2.822 -10.988 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.375 4.793 -9.962 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.153 3.361 -10.757 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.005 4.569 -10.129 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.796 5.970 -9.338 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.965 5.480 -9.695 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.843 6.873 -8.908 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.524 6.624 -9.087 1.00 0.00 C ATOM 0 H TRP A 56 5.941 3.205 -11.070 1.00 0.00 H new ATOM 0 HA TRP A 56 3.771 3.951 -12.651 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.741 2.386 -10.707 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.979 3.741 -9.621 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.274 1.873 -11.470 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.042 2.931 -11.012 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.848 6.170 -9.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.019 5.290 -9.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.157 7.787 -8.425 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.244 7.349 -8.738 1.00 0.00 H new ATOM 872 N LEU A 57 4.778 6.297 -10.559 1.00 0.00 N ATOM 873 CA LEU A 57 4.683 7.722 -10.263 1.00 0.00 C ATOM 874 C LEU A 57 5.047 8.558 -11.485 1.00 0.00 C ATOM 875 O LEU A 57 4.447 9.602 -11.738 1.00 0.00 O ATOM 876 CB LEU A 57 5.600 8.082 -9.093 1.00 0.00 C ATOM 877 CG LEU A 57 5.201 7.518 -7.729 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.405 7.458 -6.802 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.090 8.354 -7.110 1.00 0.00 C ATOM 0 H LEU A 57 5.463 5.794 -9.995 1.00 0.00 H new ATOM 0 HA LEU A 57 3.651 7.943 -9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.607 7.736 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.647 9.168 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 57 4.828 6.504 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.101 7.054 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.169 6.816 -7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.809 8.461 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.819 7.938 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.435 9.380 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.219 8.344 -7.765 1.00 0.00 H new ATOM 891 N VAL A 58 6.034 8.089 -12.243 1.00 0.00 N ATOM 892 CA VAL A 58 6.477 8.792 -13.442 1.00 0.00 C ATOM 893 C VAL A 58 5.431 8.705 -14.548 1.00 0.00 C ATOM 894 O VAL A 58 5.145 9.692 -15.225 1.00 0.00 O ATOM 895 CB VAL A 58 7.809 8.224 -13.965 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.311 9.040 -15.147 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.846 8.188 -12.853 1.00 0.00 C ATOM 0 H VAL A 58 6.542 7.226 -12.048 1.00 0.00 H new ATOM 0 HA VAL A 58 6.620 9.836 -13.162 1.00 0.00 H new ATOM 0 HB VAL A 58 7.639 7.203 -14.306 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.253 8.623 -15.503 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.574 9.009 -15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.466 10.073 -14.836 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.781 7.784 -13.241 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.014 9.198 -12.480 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.487 7.556 -12.041 1.00 0.00 H new ATOM 907 N SER A 59 4.863 7.516 -14.725 1.00 0.00 N ATOM 908 CA SER A 59 3.850 7.299 -15.751 1.00 0.00 C ATOM 909 C SER A 59 2.535 7.972 -15.368 1.00 0.00 C ATOM 910 O SER A 59 1.695 8.250 -16.223 1.00 0.00 O ATOM 911 CB SER A 59 3.625 5.801 -15.967 1.00 0.00 C ATOM 912 OG SER A 59 3.011 5.553 -17.220 1.00 0.00 O ATOM 0 H SER A 59 5.087 6.689 -14.172 1.00 0.00 H new ATOM 0 HA SER A 59 4.208 7.743 -16.680 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.579 5.276 -15.915 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.999 5.405 -15.167 1.00 0.00 H new ATOM 0 HG SER A 59 2.879 4.589 -17.335 1.00 0.00 H new ATOM 918 N ASN A 60 2.364 8.230 -14.076 1.00 0.00 N ATOM 919 CA ASN A 60 1.152 8.869 -13.578 1.00 0.00 C ATOM 920 C ASN A 60 1.269 10.389 -13.650 1.00 0.00 C ATOM 921 O ASN A 60 0.356 11.111 -13.252 1.00 0.00 O ATOM 922 CB ASN A 60 0.877 8.436 -12.136 1.00 0.00 C ATOM 923 CG ASN A 60 0.018 7.189 -12.061 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.104 7.225 -11.554 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.541 6.078 -12.566 1.00 0.00 N ATOM 0 H ASN A 60 3.050 8.006 -13.355 1.00 0.00 H new ATOM 0 HA ASN A 60 0.321 8.555 -14.210 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.824 8.253 -11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.381 9.248 -11.604 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.009 5.208 -12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.475 6.095 -12.976 1.00 0.00 H new ATOM 932 N GLN A 61 2.399 10.866 -14.163 1.00 0.00 N ATOM 933 CA GLN A 61 2.635 12.299 -14.288 1.00 0.00 C ATOM 934 C GLN A 61 2.772 12.950 -12.915 1.00 0.00 C ATOM 935 O GLN A 61 2.383 14.101 -12.722 1.00 0.00 O ATOM 936 CB GLN A 61 1.496 12.959 -15.067 1.00 0.00 C ATOM 937 CG GLN A 61 1.194 12.282 -16.393 1.00 0.00 C ATOM 938 CD GLN A 61 -0.155 12.681 -16.959 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.271 13.675 -17.676 1.00 0.00 O ATOM 940 NE2 GLN A 61 -1.184 11.905 -16.639 1.00 0.00 N ATOM 0 H GLN A 61 3.165 10.281 -14.498 1.00 0.00 H new ATOM 0 HA GLN A 61 3.568 12.442 -14.832 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.596 12.954 -14.452 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.750 14.003 -15.251 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.974 12.534 -17.111 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.222 11.201 -16.259 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.042 11.091 -16.042 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.116 12.123 -16.991 1.00 0.00 H new ATOM 949 N SER A 62 3.328 12.205 -11.965 1.00 0.00 N ATOM 950 CA SER A 62 3.512 12.708 -10.609 1.00 0.00 C ATOM 951 C SER A 62 4.945 13.187 -10.397 1.00 0.00 C ATOM 952 O SER A 62 5.226 13.954 -9.476 1.00 0.00 O ATOM 953 CB SER A 62 3.170 11.621 -9.588 1.00 0.00 C ATOM 954 OG SER A 62 2.653 12.185 -8.396 1.00 0.00 O ATOM 0 H SER A 62 3.659 11.251 -12.109 1.00 0.00 H new ATOM 0 HA SER A 62 2.839 13.554 -10.468 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.440 10.933 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.062 11.038 -9.361 1.00 0.00 H new ATOM 0 HG SER A 62 3.177 12.977 -8.155 1.00 0.00 H new ATOM 960 N VAL A 63 5.849 12.729 -11.258 1.00 0.00 N ATOM 961 CA VAL A 63 7.253 13.111 -11.168 1.00 0.00 C ATOM 962 C VAL A 63 7.867 13.278 -12.553 1.00 0.00 C ATOM 963 O VAL A 63 7.177 13.170 -13.566 1.00 0.00 O ATOM 964 CB VAL A 63 8.068 12.069 -10.379 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.498 11.893 -8.980 1.00 0.00 C ATOM 966 CG2 VAL A 63 8.098 10.742 -11.122 1.00 0.00 C ATOM 0 H VAL A 63 5.634 12.093 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 63 7.289 14.064 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 63 9.092 12.430 -10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.087 11.153 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.534 12.845 -8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.464 11.555 -9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.678 10.018 -10.550 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.080 10.373 -11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.557 10.883 -12.100 1.00 0.00 H new ATOM 976 N ARG A 64 9.169 13.541 -12.589 1.00 0.00 N ATOM 977 CA ARG A 64 9.877 13.724 -13.850 1.00 0.00 C ATOM 978 C ARG A 64 10.710 12.491 -14.190 1.00 0.00 C ATOM 979 O ARG A 64 10.832 12.114 -15.354 1.00 0.00 O ATOM 980 CB ARG A 64 10.779 14.958 -13.779 1.00 0.00 C ATOM 981 CG ARG A 64 10.041 16.230 -13.398 1.00 0.00 C ATOM 982 CD ARG A 64 10.748 17.466 -13.932 1.00 0.00 C ATOM 983 NE ARG A 64 10.120 18.700 -13.469 1.00 0.00 N ATOM 984 CZ ARG A 64 10.539 19.912 -13.813 1.00 0.00 C ATOM 985 NH1 ARG A 64 11.581 20.053 -14.621 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.914 20.988 -13.350 1.00 0.00 N ATOM 0 H ARG A 64 9.755 13.632 -11.759 1.00 0.00 H new ATOM 0 HA ARG A 64 9.136 13.869 -14.636 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.572 14.777 -13.053 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.259 15.103 -14.747 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.024 16.193 -13.790 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.962 16.295 -12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.792 17.451 -13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.743 17.444 -15.022 1.00 0.00 H new ATOM 0 HE ARG A 64 9.315 18.627 -12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.063 19.229 -14.980 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.900 20.985 -14.883 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.111 20.884 -12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.237 21.919 -13.615 1.00 0.00 H new ATOM 1000 N ASN A 65 11.281 11.868 -13.164 1.00 0.00 N ATOM 1001 CA ASN A 65 12.103 10.678 -13.354 1.00 0.00 C ATOM 1002 C ASN A 65 12.014 9.756 -12.142 1.00 0.00 C ATOM 1003 O ASN A 65 11.271 10.025 -11.198 1.00 0.00 O ATOM 1004 CB ASN A 65 13.560 11.074 -13.602 1.00 0.00 C ATOM 1005 CG ASN A 65 14.355 11.188 -12.316 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.847 10.191 -11.787 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.485 12.407 -11.807 1.00 0.00 N ATOM 0 H ASN A 65 11.190 12.167 -12.193 1.00 0.00 H new ATOM 0 HA ASN A 65 11.726 10.141 -14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.029 10.335 -14.252 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.590 12.027 -14.130 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.010 12.546 -10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.060 13.205 -12.279 1.00 0.00 H new ATOM 1014 N ARG A 66 12.778 8.669 -12.175 1.00 0.00 N ATOM 1015 CA ARG A 66 12.785 7.707 -11.079 1.00 0.00 C ATOM 1016 C ARG A 66 13.164 8.383 -9.765 1.00 0.00 C ATOM 1017 O ARG A 66 12.387 8.384 -8.810 1.00 0.00 O ATOM 1018 CB ARG A 66 13.761 6.568 -11.379 1.00 0.00 C ATOM 1019 CG ARG A 66 13.152 5.446 -12.204 1.00 0.00 C ATOM 1020 CD ARG A 66 12.892 5.885 -13.636 1.00 0.00 C ATOM 1021 NE ARG A 66 12.387 4.791 -14.461 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.485 4.764 -15.786 1.00 0.00 C ATOM 1023 NH1 ARG A 66 13.066 5.765 -16.432 1.00 0.00 N ATOM 1024 NH2 ARG A 66 12.001 3.732 -16.467 1.00 0.00 N ATOM 0 H ARG A 66 13.400 8.432 -12.948 1.00 0.00 H new ATOM 0 HA ARG A 66 11.779 7.298 -10.981 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.624 6.970 -11.909 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.128 6.158 -10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.822 4.586 -12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.217 5.122 -11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.172 6.703 -13.639 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.815 6.270 -14.070 1.00 0.00 H new ATOM 0 HE ARG A 66 11.934 4.005 -13.995 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.440 6.559 -15.912 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.140 5.741 -17.449 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.554 2.960 -15.973 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.076 3.712 -17.484 1.00 0.00 H new ATOM 1038 N GLN A 67 14.363 8.956 -9.724 1.00 0.00 N ATOM 1039 CA GLN A 67 14.844 9.634 -8.526 1.00 0.00 C ATOM 1040 C GLN A 67 13.736 10.466 -7.888 1.00 0.00 C ATOM 1041 O GLN A 67 13.524 10.409 -6.678 1.00 0.00 O ATOM 1042 CB GLN A 67 16.038 10.529 -8.866 1.00 0.00 C ATOM 1043 CG GLN A 67 17.379 9.822 -8.753 1.00 0.00 C ATOM 1044 CD GLN A 67 17.959 9.893 -7.354 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.127 10.976 -6.793 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.270 8.736 -6.782 1.00 0.00 N ATOM 0 H GLN A 67 15.018 8.964 -10.506 1.00 0.00 H new ATOM 0 HA GLN A 67 15.159 8.874 -7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.920 10.907 -9.881 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.035 11.393 -8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.260 8.777 -9.041 1.00 0.00 H new ATOM 0 HG3 GLN A 67 18.081 10.268 -9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.114 7.861 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.665 8.722 -5.842 1.00 0.00 H new ATOM 1055 N GLU A 68 13.033 11.237 -8.712 1.00 0.00 N ATOM 1056 CA GLU A 68 11.947 12.081 -8.226 1.00 0.00 C ATOM 1057 C GLU A 68 10.906 11.252 -7.481 1.00 0.00 C ATOM 1058 O GLU A 68 10.417 11.652 -6.425 1.00 0.00 O ATOM 1059 CB GLU A 68 11.287 12.821 -9.391 1.00 0.00 C ATOM 1060 CG GLU A 68 12.165 13.901 -10.002 1.00 0.00 C ATOM 1061 CD GLU A 68 13.048 14.584 -8.976 1.00 0.00 C ATOM 1062 OE1 GLU A 68 14.155 14.071 -8.709 1.00 0.00 O ATOM 1063 OE2 GLU A 68 12.632 15.633 -8.441 1.00 0.00 O ATOM 0 H GLU A 68 13.196 11.295 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 68 12.369 12.810 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.021 12.100 -10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.358 13.273 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.790 13.460 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.534 14.646 -10.487 1.00 0.00 H new ATOM 1070 N GLY A 69 10.569 10.093 -8.039 1.00 0.00 N ATOM 1071 CA GLY A 69 9.587 9.226 -7.415 1.00 0.00 C ATOM 1072 C GLY A 69 10.132 8.522 -6.188 1.00 0.00 C ATOM 1073 O GLY A 69 9.393 7.844 -5.472 1.00 0.00 O ATOM 0 H GLY A 69 10.959 9.739 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.713 9.814 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.252 8.482 -8.138 1.00 0.00 H new ATOM 1077 N LEU A 70 11.428 8.682 -5.943 1.00 0.00 N ATOM 1078 CA LEU A 70 12.072 8.055 -4.794 1.00 0.00 C ATOM 1079 C LEU A 70 11.567 8.661 -3.489 1.00 0.00 C ATOM 1080 O LEU A 70 11.230 7.942 -2.548 1.00 0.00 O ATOM 1081 CB LEU A 70 13.591 8.212 -4.888 1.00 0.00 C ATOM 1082 CG LEU A 70 14.421 7.070 -4.299 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.810 6.584 -2.994 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.536 5.926 -5.296 1.00 0.00 C ATOM 0 H LEU A 70 12.053 9.240 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 70 11.821 6.994 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.860 8.326 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.873 9.137 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 70 15.423 7.445 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.414 5.772 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.781 7.405 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.797 6.226 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.130 5.122 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.541 5.552 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.020 6.283 -6.205 1.00 0.00 H new ATOM 1096 N MET A 71 11.514 9.988 -3.440 1.00 0.00 N ATOM 1097 CA MET A 71 11.045 10.691 -2.251 1.00 0.00 C ATOM 1098 C MET A 71 9.579 10.375 -1.975 1.00 0.00 C ATOM 1099 O MET A 71 9.225 9.926 -0.885 1.00 0.00 O ATOM 1100 CB MET A 71 11.232 12.200 -2.417 1.00 0.00 C ATOM 1101 CG MET A 71 12.629 12.593 -2.870 1.00 0.00 C ATOM 1102 SD MET A 71 13.039 14.300 -2.457 1.00 0.00 S ATOM 1103 CE MET A 71 11.856 15.186 -3.469 1.00 0.00 C ATOM 0 H MET A 71 11.790 10.598 -4.209 1.00 0.00 H new ATOM 0 HA MET A 71 11.637 10.351 -1.401 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.506 12.570 -3.141 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.015 12.691 -1.469 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.357 11.927 -2.408 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.709 12.455 -3.948 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.007 16.259 -3.351 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.995 14.913 -4.515 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.844 14.926 -3.158 1.00 0.00 H new ATOM 1113 N ILE A 72 8.730 10.614 -2.970 1.00 0.00 N ATOM 1114 CA ILE A 72 7.302 10.354 -2.834 1.00 0.00 C ATOM 1115 C ILE A 72 7.048 8.955 -2.283 1.00 0.00 C ATOM 1116 O ILE A 72 6.199 8.764 -1.413 1.00 0.00 O ATOM 1117 CB ILE A 72 6.572 10.504 -4.182 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.648 11.952 -4.670 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.123 10.058 -4.051 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.921 12.930 -3.774 1.00 0.00 C ATOM 0 H ILE A 72 9.006 10.987 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 72 6.911 11.093 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 72 7.063 9.867 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.695 12.248 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.229 12.011 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.620 10.170 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.090 9.013 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.620 10.672 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.017 13.937 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.867 12.659 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.355 12.900 -2.775 1.00 0.00 H new ATOM 1132 N ALA A 73 7.791 7.979 -2.795 1.00 0.00 N ATOM 1133 CA ALA A 73 7.649 6.598 -2.352 1.00 0.00 C ATOM 1134 C ALA A 73 8.051 6.447 -0.889 1.00 0.00 C ATOM 1135 O ALA A 73 7.373 5.770 -0.116 1.00 0.00 O ATOM 1136 CB ALA A 73 8.482 5.674 -3.229 1.00 0.00 C ATOM 0 H ALA A 73 8.497 8.120 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 73 6.599 6.319 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.366 4.646 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.145 5.752 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.532 5.961 -3.166 1.00 0.00 H new ATOM 1142 N SER A 74 9.159 7.080 -0.516 1.00 0.00 N ATOM 1143 CA SER A 74 9.654 7.012 0.854 1.00 0.00 C ATOM 1144 C SER A 74 8.600 7.511 1.838 1.00 0.00 C ATOM 1145 O SER A 74 8.353 6.887 2.870 1.00 0.00 O ATOM 1146 CB SER A 74 10.934 7.837 0.998 1.00 0.00 C ATOM 1147 OG SER A 74 10.649 9.225 0.992 1.00 0.00 O ATOM 0 H SER A 74 9.731 7.646 -1.143 1.00 0.00 H new ATOM 0 HA SER A 74 9.875 5.969 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.440 7.570 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.617 7.599 0.183 1.00 0.00 H new ATOM 0 HG SER A 74 10.163 9.456 0.173 1.00 0.00 H new ATOM 1153 N SER A 75 7.981 8.641 1.510 1.00 0.00 N ATOM 1154 CA SER A 75 6.957 9.228 2.366 1.00 0.00 C ATOM 1155 C SER A 75 5.795 8.259 2.563 1.00 0.00 C ATOM 1156 O SER A 75 5.356 8.019 3.689 1.00 0.00 O ATOM 1157 CB SER A 75 6.447 10.538 1.762 1.00 0.00 C ATOM 1158 OG SER A 75 6.445 10.480 0.346 1.00 0.00 O ATOM 0 H SER A 75 8.171 9.168 0.658 1.00 0.00 H new ATOM 0 HA SER A 75 7.405 9.435 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.438 10.740 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.075 11.364 2.094 1.00 0.00 H new ATOM 0 HG SER A 75 6.108 9.607 0.055 1.00 0.00 H new ATOM 1164 N LEU A 76 5.299 7.707 1.462 1.00 0.00 N ATOM 1165 CA LEU A 76 4.188 6.763 1.512 1.00 0.00 C ATOM 1166 C LEU A 76 4.407 5.721 2.603 1.00 0.00 C ATOM 1167 O LEU A 76 3.459 5.279 3.254 1.00 0.00 O ATOM 1168 CB LEU A 76 4.017 6.073 0.158 1.00 0.00 C ATOM 1169 CG LEU A 76 3.305 6.885 -0.925 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.587 6.303 -2.301 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.807 6.931 -0.659 1.00 0.00 C ATOM 0 H LEU A 76 5.649 7.897 0.523 1.00 0.00 H new ATOM 0 HA LEU A 76 3.281 7.320 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.004 5.796 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.463 5.147 0.312 1.00 0.00 H new ATOM 0 HG LEU A 76 3.689 7.905 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.072 6.894 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.660 6.324 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.231 5.273 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.317 7.513 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.407 5.917 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.624 7.396 0.310 1.00 0.00 H new ATOM 1183 N LEU A 77 5.662 5.333 2.800 1.00 0.00 N ATOM 1184 CA LEU A 77 6.008 4.343 3.814 1.00 0.00 C ATOM 1185 C LEU A 77 6.030 4.972 5.203 1.00 0.00 C ATOM 1186 O LEU A 77 5.821 4.292 6.207 1.00 0.00 O ATOM 1187 CB LEU A 77 7.368 3.718 3.503 1.00 0.00 C ATOM 1188 CG LEU A 77 7.347 2.465 2.627 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.741 2.156 2.103 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.792 1.280 3.404 1.00 0.00 C ATOM 0 H LEU A 77 6.458 5.689 2.270 1.00 0.00 H new ATOM 0 HA LEU A 77 5.246 3.564 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.987 4.469 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.855 3.470 4.446 1.00 0.00 H new ATOM 0 HG LEU A 77 6.694 2.652 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.706 1.261 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.101 2.996 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.416 1.989 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.784 0.397 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.418 1.091 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.775 1.502 3.728 1.00 0.00 H new ATOM 1202 N ASN A 78 6.283 6.276 5.253 1.00 0.00 N ATOM 1203 CA ASN A 78 6.331 6.998 6.519 1.00 0.00 C ATOM 1204 C ASN A 78 4.932 7.167 7.102 1.00 0.00 C ATOM 1205 O ASN A 78 4.745 7.110 8.317 1.00 0.00 O ATOM 1206 CB ASN A 78 6.983 8.369 6.324 1.00 0.00 C ATOM 1207 CG ASN A 78 8.491 8.319 6.483 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.003 7.910 7.525 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.209 8.739 5.448 1.00 0.00 N ATOM 0 H ASN A 78 6.458 6.854 4.431 1.00 0.00 H new ATOM 0 HA ASN A 78 6.929 6.414 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.737 8.748 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.567 9.072 7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.228 8.731 5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.742 9.070 4.604 1.00 0.00 H new ATOM 1216 N GLU A 79 3.953 7.374 6.227 1.00 0.00 N ATOM 1217 CA GLU A 79 2.570 7.551 6.656 1.00 0.00 C ATOM 1218 C GLU A 79 1.899 6.202 6.900 1.00 0.00 C ATOM 1219 O GLU A 79 1.037 6.074 7.769 1.00 0.00 O ATOM 1220 CB GLU A 79 1.785 8.341 5.608 1.00 0.00 C ATOM 1221 CG GLU A 79 2.251 9.779 5.454 1.00 0.00 C ATOM 1222 CD GLU A 79 2.018 10.605 6.704 1.00 0.00 C ATOM 1223 OE1 GLU A 79 0.872 10.619 7.201 1.00 0.00 O ATOM 1224 OE2 GLU A 79 2.981 11.237 7.187 1.00 0.00 O ATOM 0 H GLU A 79 4.091 7.423 5.218 1.00 0.00 H new ATOM 0 HA GLU A 79 2.576 8.109 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.870 7.836 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.729 8.337 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.313 9.789 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.727 10.239 4.616 1.00 0.00 H new ATOM 1231 N GLY A 80 2.302 5.199 6.126 1.00 0.00 N ATOM 1232 CA GLY A 80 1.729 3.873 6.273 1.00 0.00 C ATOM 1233 C GLY A 80 1.026 3.403 5.015 1.00 0.00 C ATOM 1234 O GLY A 80 0.555 2.268 4.946 1.00 0.00 O ATOM 0 H GLY A 80 3.014 5.280 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.518 3.166 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.021 3.876 7.102 1.00 0.00 H new ATOM 1238 N TYR A 81 0.952 4.278 4.019 1.00 0.00 N ATOM 1239 CA TYR A 81 0.297 3.948 2.758 1.00 0.00 C ATOM 1240 C TYR A 81 0.894 2.683 2.149 1.00 0.00 C ATOM 1241 O TYR A 81 0.198 1.910 1.489 1.00 0.00 O ATOM 1242 CB TYR A 81 0.425 5.111 1.773 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.367 6.335 2.175 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.753 6.294 2.256 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.271 7.533 2.473 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.481 7.410 2.622 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.448 8.653 2.842 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.824 8.587 2.915 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.544 9.701 3.280 1.00 0.00 O ATOM 0 H TYR A 81 1.337 5.222 4.060 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.758 3.768 2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.476 5.383 1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.093 4.781 0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.271 5.374 2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.348 7.589 2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.558 7.361 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.064 9.576 3.072 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.930 10.445 3.453 1.00 0.00 H new ATOM 1259 N LEU A 82 2.186 2.478 2.377 1.00 0.00 N ATOM 1260 CA LEU A 82 2.879 1.306 1.852 1.00 0.00 C ATOM 1261 C LEU A 82 3.626 0.573 2.961 1.00 0.00 C ATOM 1262 O LEU A 82 4.191 1.197 3.859 1.00 0.00 O ATOM 1263 CB LEU A 82 3.856 1.718 0.749 1.00 0.00 C ATOM 1264 CG LEU A 82 3.231 2.318 -0.511 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.288 3.025 -1.346 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.538 1.237 -1.329 1.00 0.00 C ATOM 0 H LEU A 82 2.775 3.108 2.922 1.00 0.00 H new ATOM 0 HA LEU A 82 2.133 0.630 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.556 2.443 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.437 0.842 0.460 1.00 0.00 H new ATOM 0 HG LEU A 82 2.484 3.052 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.825 3.446 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.739 3.825 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.058 2.311 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.099 1.682 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.265 0.479 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.753 0.775 -0.730 1.00 0.00 H new ATOM 1278 N GLN A 83 3.626 -0.754 2.891 1.00 0.00 N ATOM 1279 CA GLN A 83 4.306 -1.572 3.888 1.00 0.00 C ATOM 1280 C GLN A 83 5.361 -2.460 3.238 1.00 0.00 C ATOM 1281 O GLN A 83 5.149 -3.041 2.173 1.00 0.00 O ATOM 1282 CB GLN A 83 3.295 -2.434 4.646 1.00 0.00 C ATOM 1283 CG GLN A 83 2.272 -1.626 5.429 1.00 0.00 C ATOM 1284 CD GLN A 83 2.800 -1.160 6.771 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.189 -1.970 7.613 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.816 0.152 6.979 1.00 0.00 N ATOM 0 H GLN A 83 3.163 -1.286 2.154 1.00 0.00 H new ATOM 0 HA GLN A 83 4.804 -0.903 4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.773 -3.076 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.831 -3.089 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.972 -0.759 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.379 -2.231 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.484 0.787 6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.160 0.524 7.864 1.00 0.00 H new ATOM 1295 N PRO A 84 6.528 -2.568 3.890 1.00 0.00 N ATOM 1296 CA PRO A 84 7.640 -3.383 3.394 1.00 0.00 C ATOM 1297 C PRO A 84 7.345 -4.877 3.473 1.00 0.00 C ATOM 1298 O PRO A 84 6.715 -5.345 4.421 1.00 0.00 O ATOM 1299 CB PRO A 84 8.795 -3.016 4.329 1.00 0.00 C ATOM 1300 CG PRO A 84 8.135 -2.563 5.586 1.00 0.00 C ATOM 1301 CD PRO A 84 6.851 -1.903 5.164 1.00 0.00 C ATOM 0 HA PRO A 84 7.848 -3.190 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.446 -3.872 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.416 -2.228 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.941 -3.405 6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.771 -1.866 6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.063 -2.047 5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.975 -0.828 5.036 1.00 0.00 H new ATOM 1309 N ALA A 85 7.805 -5.620 2.472 1.00 0.00 N ATOM 1310 CA ALA A 85 7.592 -7.062 2.431 1.00 0.00 C ATOM 1311 C ALA A 85 8.895 -7.801 2.144 1.00 0.00 C ATOM 1312 O ALA A 85 9.340 -7.874 1.000 1.00 0.00 O ATOM 1313 CB ALA A 85 6.544 -7.411 1.384 1.00 0.00 C ATOM 0 H ALA A 85 8.327 -5.248 1.679 1.00 0.00 H new ATOM 0 HA ALA A 85 7.232 -7.379 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.395 -8.491 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.603 -6.919 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.882 -7.073 0.404 1.00 0.00 H new ATOM 1319 N GLY A 86 9.502 -8.349 3.193 1.00 0.00 N ATOM 1320 CA GLY A 86 10.748 -9.075 3.032 1.00 0.00 C ATOM 1321 C GLY A 86 11.895 -8.432 3.786 1.00 0.00 C ATOM 1322 O GLY A 86 11.842 -7.247 4.118 1.00 0.00 O ATOM 0 H GLY A 86 9.153 -8.303 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.616 -10.099 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.999 -9.130 1.973 1.00 0.00 H new ATOM 1326 N ASP A 87 12.934 -9.213 4.059 1.00 0.00 N ATOM 1327 CA ASP A 87 14.099 -8.713 4.780 1.00 0.00 C ATOM 1328 C ASP A 87 14.766 -7.576 4.012 1.00 0.00 C ATOM 1329 O ASP A 87 15.385 -6.693 4.605 1.00 0.00 O ATOM 1330 CB ASP A 87 15.102 -9.843 5.017 1.00 0.00 C ATOM 1331 CG ASP A 87 16.356 -9.365 5.722 1.00 0.00 C ATOM 1332 OD1 ASP A 87 16.234 -8.562 6.672 1.00 0.00 O ATOM 1333 OD2 ASP A 87 17.460 -9.794 5.326 1.00 0.00 O ATOM 0 H ASP A 87 12.994 -10.196 3.792 1.00 0.00 H new ATOM 0 HA ASP A 87 13.763 -8.329 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.630 -10.625 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.374 -10.290 4.061 1.00 0.00 H new ATOM 1338 N MET A 88 14.636 -7.606 2.689 1.00 0.00 N ATOM 1339 CA MET A 88 15.227 -6.578 1.841 1.00 0.00 C ATOM 1340 C MET A 88 14.850 -5.184 2.333 1.00 0.00 C ATOM 1341 O MET A 88 15.706 -4.421 2.780 1.00 0.00 O ATOM 1342 CB MET A 88 14.772 -6.760 0.391 1.00 0.00 C ATOM 1343 CG MET A 88 15.380 -5.749 -0.568 1.00 0.00 C ATOM 1344 SD MET A 88 14.921 -6.057 -2.284 1.00 0.00 S ATOM 1345 CE MET A 88 15.990 -4.898 -3.134 1.00 0.00 C ATOM 0 H MET A 88 14.127 -8.330 2.182 1.00 0.00 H new ATOM 0 HA MET A 88 16.311 -6.680 1.890 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.033 -7.765 0.060 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.686 -6.682 0.347 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.059 -4.747 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.466 -5.774 -0.476 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.386 -4.119 -3.599 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.678 -4.446 -2.419 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.558 -5.423 -3.902 1.00 0.00 H new ATOM 1355 N SER A 89 13.564 -4.858 2.247 1.00 0.00 N ATOM 1356 CA SER A 89 13.075 -3.555 2.680 1.00 0.00 C ATOM 1357 C SER A 89 13.059 -3.459 4.202 1.00 0.00 C ATOM 1358 O SER A 89 13.453 -2.444 4.777 1.00 0.00 O ATOM 1359 CB SER A 89 11.671 -3.303 2.127 1.00 0.00 C ATOM 1360 OG SER A 89 11.611 -3.587 0.740 1.00 0.00 O ATOM 0 H SER A 89 12.842 -5.479 1.881 1.00 0.00 H new ATOM 0 HA SER A 89 13.752 -2.794 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.950 -3.923 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.389 -2.265 2.301 1.00 0.00 H new ATOM 0 HG SER A 89 11.090 -2.892 0.286 1.00 0.00 H new ATOM 1366 N LYS A 90 12.599 -4.524 4.851 1.00 0.00 N ATOM 1367 CA LYS A 90 12.531 -4.563 6.307 1.00 0.00 C ATOM 1368 C LYS A 90 13.841 -4.085 6.926 1.00 0.00 C ATOM 1369 O LYS A 90 13.863 -3.601 8.057 1.00 0.00 O ATOM 1370 CB LYS A 90 12.217 -5.983 6.785 1.00 0.00 C ATOM 1371 CG LYS A 90 10.731 -6.287 6.853 1.00 0.00 C ATOM 1372 CD LYS A 90 10.466 -7.634 7.503 1.00 0.00 C ATOM 1373 CE LYS A 90 9.120 -8.202 7.082 1.00 0.00 C ATOM 1374 NZ LYS A 90 9.057 -9.678 7.267 1.00 0.00 N ATOM 0 H LYS A 90 12.268 -5.372 4.391 1.00 0.00 H new ATOM 0 HA LYS A 90 11.733 -3.893 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.695 -6.697 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.655 -6.130 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.224 -5.504 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.311 -6.278 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.258 -8.332 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.494 -7.527 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.329 -7.729 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.935 -7.959 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.123 -10.026 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.796 -10.132 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.208 -9.909 8.270 1.00 0.00 H new ATOM 1388 N SER A 91 14.929 -4.222 6.176 1.00 0.00 N ATOM 1389 CA SER A 91 16.243 -3.806 6.652 1.00 0.00 C ATOM 1390 C SER A 91 16.454 -2.312 6.429 1.00 0.00 C ATOM 1391 O SER A 91 17.135 -1.646 7.209 1.00 0.00 O ATOM 1392 CB SER A 91 17.342 -4.599 5.941 1.00 0.00 C ATOM 1393 OG SER A 91 17.591 -5.829 6.600 1.00 0.00 O ATOM 0 H SER A 91 14.927 -4.618 5.236 1.00 0.00 H new ATOM 0 HA SER A 91 16.294 -4.007 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.048 -4.789 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.258 -4.009 5.908 1.00 0.00 H new ATOM 0 HG SER A 91 16.949 -6.502 6.291 1.00 0.00 H new ATOM 1399 N ALA A 92 15.864 -1.791 5.358 1.00 0.00 N ATOM 1400 CA ALA A 92 15.984 -0.375 5.032 1.00 0.00 C ATOM 1401 C ALA A 92 15.044 0.467 5.888 1.00 0.00 C ATOM 1402 O ALA A 92 15.444 1.489 6.446 1.00 0.00 O ATOM 1403 CB ALA A 92 15.702 -0.148 3.555 1.00 0.00 C ATOM 0 H ALA A 92 15.298 -2.328 4.701 1.00 0.00 H new ATOM 0 HA ALA A 92 17.006 -0.063 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.795 0.914 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.417 -0.713 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.691 -0.482 3.322 1.00 0.00 H new ATOM 1409 N VAL A 93 13.792 0.031 5.988 1.00 0.00 N ATOM 1410 CA VAL A 93 12.795 0.745 6.777 1.00 0.00 C ATOM 1411 C VAL A 93 13.237 0.881 8.229 1.00 0.00 C ATOM 1412 O VAL A 93 12.935 1.874 8.891 1.00 0.00 O ATOM 1413 CB VAL A 93 11.429 0.034 6.731 1.00 0.00 C ATOM 1414 CG1 VAL A 93 11.010 -0.225 5.293 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.479 -1.264 7.523 1.00 0.00 C ATOM 0 H VAL A 93 13.444 -0.813 5.533 1.00 0.00 H new ATOM 0 HA VAL A 93 12.695 1.737 6.337 1.00 0.00 H new ATOM 0 HB VAL A 93 10.684 0.685 7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.043 -0.728 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.933 0.723 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.753 -0.856 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.506 -1.754 7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.236 -1.922 7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.731 -1.047 8.561 1.00 0.00 H new ATOM 1425 N ASP A 94 13.955 -0.124 8.719 1.00 0.00 N ATOM 1426 CA ASP A 94 14.441 -0.116 10.094 1.00 0.00 C ATOM 1427 C ASP A 94 15.783 0.603 10.193 1.00 0.00 C ATOM 1428 O ASP A 94 16.037 1.336 11.148 1.00 0.00 O ATOM 1429 CB ASP A 94 14.577 -1.547 10.617 1.00 0.00 C ATOM 1430 CG ASP A 94 13.240 -2.156 10.991 1.00 0.00 C ATOM 1431 OD1 ASP A 94 12.356 -1.407 11.457 1.00 0.00 O ATOM 1432 OD2 ASP A 94 13.077 -3.382 10.819 1.00 0.00 O ATOM 0 H ASP A 94 14.213 -0.954 8.185 1.00 0.00 H new ATOM 0 HA ASP A 94 13.716 0.420 10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.054 -2.165 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.232 -1.552 11.489 1.00 0.00 H new ATOM 1437 N GLY A 95 16.638 0.388 9.198 1.00 0.00 N ATOM 1438 CA GLY A 95 17.944 1.023 9.192 1.00 0.00 C ATOM 1439 C GLY A 95 17.854 2.534 9.274 1.00 0.00 C ATOM 1440 O GLY A 95 16.779 3.110 9.106 1.00 0.00 O ATOM 0 H GLY A 95 16.450 -0.214 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.529 0.651 10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.477 0.743 8.283 1.00 0.00 H new ATOM 1444 N THR A 96 18.987 3.179 9.533 1.00 0.00 N ATOM 1445 CA THR A 96 19.033 4.632 9.640 1.00 0.00 C ATOM 1446 C THR A 96 19.233 5.277 8.273 1.00 0.00 C ATOM 1447 O THR A 96 19.977 6.248 8.138 1.00 0.00 O ATOM 1448 CB THR A 96 20.161 5.091 10.582 1.00 0.00 C ATOM 1449 OG1 THR A 96 20.047 6.496 10.834 1.00 0.00 O ATOM 1450 CG2 THR A 96 21.525 4.787 9.982 1.00 0.00 C ATOM 0 H THR A 96 19.886 2.718 9.673 1.00 0.00 H new ATOM 0 HA THR A 96 18.075 4.949 10.052 1.00 0.00 H new ATOM 0 HB THR A 96 20.065 4.545 11.520 1.00 0.00 H new ATOM 0 HG1 THR A 96 19.962 6.975 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 96 22.306 5.120 10.666 1.00 0.00 H new ATOM 0 HG22 THR A 96 21.620 3.713 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 96 21.629 5.309 9.031 1.00 0.00 H new ATOM 1458 N ALA A 97 18.564 4.732 7.263 1.00 0.00 N ATOM 1459 CA ALA A 97 18.667 5.257 5.907 1.00 0.00 C ATOM 1460 C ALA A 97 17.623 6.339 5.656 1.00 0.00 C ATOM 1461 O ALA A 97 16.423 6.099 5.787 1.00 0.00 O ATOM 1462 CB ALA A 97 18.518 4.132 4.893 1.00 0.00 C ATOM 0 H ALA A 97 17.945 3.927 7.358 1.00 0.00 H new ATOM 0 HA ALA A 97 19.653 5.707 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.597 4.538 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 97 19.305 3.394 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.545 3.656 5.017 1.00 0.00 H new ATOM 1468 N GLU A 98 18.087 7.532 5.297 1.00 0.00 N ATOM 1469 CA GLU A 98 17.192 8.651 5.030 1.00 0.00 C ATOM 1470 C GLU A 98 15.942 8.184 4.289 1.00 0.00 C ATOM 1471 O GLU A 98 14.823 8.548 4.648 1.00 0.00 O ATOM 1472 CB GLU A 98 17.911 9.725 4.211 1.00 0.00 C ATOM 1473 CG GLU A 98 18.571 9.190 2.951 1.00 0.00 C ATOM 1474 CD GLU A 98 19.465 10.214 2.280 1.00 0.00 C ATOM 1475 OE1 GLU A 98 18.957 10.990 1.445 1.00 0.00 O ATOM 1476 OE2 GLU A 98 20.675 10.239 2.592 1.00 0.00 O ATOM 0 H GLU A 98 19.078 7.748 5.184 1.00 0.00 H new ATOM 0 HA GLU A 98 16.889 9.076 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.195 10.499 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.669 10.199 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.160 8.307 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.800 8.871 2.249 1.00 0.00 H new ATOM 1483 N ASN A 99 16.143 7.374 3.254 1.00 0.00 N ATOM 1484 CA ASN A 99 15.033 6.858 2.462 1.00 0.00 C ATOM 1485 C ASN A 99 14.841 5.364 2.704 1.00 0.00 C ATOM 1486 O ASN A 99 15.602 4.528 2.217 1.00 0.00 O ATOM 1487 CB ASN A 99 15.277 7.117 0.974 1.00 0.00 C ATOM 1488 CG ASN A 99 15.551 8.579 0.679 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.648 8.944 0.256 1.00 0.00 O ATOM 1490 ND2 ASN A 99 14.552 9.425 0.904 1.00 0.00 N ATOM 0 H ASN A 99 17.063 7.061 2.945 1.00 0.00 H new ATOM 0 HA ASN A 99 14.126 7.378 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.122 6.517 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.407 6.791 0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.678 10.421 0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.659 9.078 1.255 1.00 0.00 H new ATOM 1497 N PRO A 100 13.799 5.018 3.475 1.00 0.00 N ATOM 1498 CA PRO A 100 13.481 3.624 3.799 1.00 0.00 C ATOM 1499 C PRO A 100 12.969 2.850 2.589 1.00 0.00 C ATOM 1500 O PRO A 100 12.734 1.644 2.665 1.00 0.00 O ATOM 1501 CB PRO A 100 12.384 3.748 4.859 1.00 0.00 C ATOM 1502 CG PRO A 100 11.751 5.070 4.597 1.00 0.00 C ATOM 1503 CD PRO A 100 12.850 5.962 4.089 1.00 0.00 C ATOM 0 HA PRO A 100 14.359 3.073 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.659 2.938 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.799 3.701 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.950 4.981 3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.307 5.477 5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.477 6.686 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.313 6.529 4.897 1.00 0.00 H new ATOM 1511 N PHE A 101 12.796 3.552 1.474 1.00 0.00 N ATOM 1512 CA PHE A 101 12.310 2.930 0.247 1.00 0.00 C ATOM 1513 C PHE A 101 13.473 2.495 -0.640 1.00 0.00 C ATOM 1514 O PHE A 101 14.569 3.053 -0.565 1.00 0.00 O ATOM 1515 CB PHE A 101 11.406 3.899 -0.517 1.00 0.00 C ATOM 1516 CG PHE A 101 10.502 3.221 -1.507 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.948 2.931 -2.786 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.207 2.874 -1.158 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.118 2.308 -3.699 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.373 2.250 -2.066 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.829 1.966 -3.338 1.00 0.00 C ATOM 0 H PHE A 101 12.985 4.551 1.394 1.00 0.00 H new ATOM 0 HA PHE A 101 11.734 2.046 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.798 4.455 0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.027 4.625 -1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.955 3.195 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.845 3.094 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.477 2.089 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.366 1.985 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.179 1.478 -4.049 1.00 0.00 H new ATOM 1531 N LEU A 102 13.227 1.495 -1.479 1.00 0.00 N ATOM 1532 CA LEU A 102 14.254 0.984 -2.381 1.00 0.00 C ATOM 1533 C LEU A 102 13.728 0.897 -3.810 1.00 0.00 C ATOM 1534 O LEU A 102 12.790 0.150 -4.093 1.00 0.00 O ATOM 1535 CB LEU A 102 14.729 -0.393 -1.916 1.00 0.00 C ATOM 1536 CG LEU A 102 15.026 -0.531 -0.422 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.106 -1.998 -0.027 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.317 0.190 -0.066 1.00 0.00 C ATOM 0 H LEU A 102 12.326 1.022 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 102 15.095 1.677 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.969 -1.127 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.631 -0.651 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 102 14.211 -0.070 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.318 -2.077 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.156 -2.486 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.901 -2.484 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.512 0.081 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.143 -0.241 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.223 1.248 -0.311 1.00 0.00 H new ATOM 1550 N ASP A 103 14.339 1.662 -4.708 1.00 0.00 N ATOM 1551 CA ASP A 103 13.935 1.669 -6.109 1.00 0.00 C ATOM 1552 C ASP A 103 14.440 0.421 -6.826 1.00 0.00 C ATOM 1553 O ASP A 103 14.943 0.498 -7.946 1.00 0.00 O ATOM 1554 CB ASP A 103 14.462 2.923 -6.808 1.00 0.00 C ATOM 1555 CG ASP A 103 14.218 2.898 -8.304 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.226 2.272 -8.733 1.00 0.00 O ATOM 1557 OD2 ASP A 103 15.018 3.505 -9.045 1.00 0.00 O ATOM 0 H ASP A 103 15.116 2.286 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 103 12.846 1.672 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.982 3.803 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.531 3.019 -6.619 1.00 0.00 H new ATOM 1562 N ASN A 104 14.302 -0.728 -6.172 1.00 0.00 N ATOM 1563 CA ASN A 104 14.746 -1.993 -6.747 1.00 0.00 C ATOM 1564 C ASN A 104 13.555 -2.882 -7.091 1.00 0.00 C ATOM 1565 O ASN A 104 12.551 -2.920 -6.379 1.00 0.00 O ATOM 1566 CB ASN A 104 15.676 -2.720 -5.774 1.00 0.00 C ATOM 1567 CG ASN A 104 17.141 -2.462 -6.071 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.521 -2.227 -7.219 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.971 -2.504 -5.036 1.00 0.00 N ATOM 0 H ASN A 104 13.886 -0.809 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 104 15.291 -1.775 -7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.453 -2.401 -4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.482 -3.791 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.968 -2.338 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.612 -2.702 -4.102 1.00 0.00 H new ATOM 1576 N PRO A 105 13.667 -3.615 -8.208 1.00 0.00 N ATOM 1577 CA PRO A 105 12.610 -4.519 -8.672 1.00 0.00 C ATOM 1578 C PRO A 105 12.453 -5.738 -7.770 1.00 0.00 C ATOM 1579 O PRO A 105 11.565 -6.565 -7.977 1.00 0.00 O ATOM 1580 CB PRO A 105 13.088 -4.940 -10.063 1.00 0.00 C ATOM 1581 CG PRO A 105 14.569 -4.784 -10.018 1.00 0.00 C ATOM 1582 CD PRO A 105 14.835 -3.619 -9.105 1.00 0.00 C ATOM 0 HA PRO A 105 11.632 -4.037 -8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.805 -5.969 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.647 -4.314 -10.839 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.046 -5.690 -9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.972 -4.600 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.766 -3.746 -8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.919 -2.685 -9.660 1.00 0.00 H new ATOM 1590 N ASP A 106 13.320 -5.843 -6.769 1.00 0.00 N ATOM 1591 CA ASP A 106 13.277 -6.962 -5.834 1.00 0.00 C ATOM 1592 C ASP A 106 12.483 -6.594 -4.584 1.00 0.00 C ATOM 1593 O ASP A 106 11.752 -7.419 -4.037 1.00 0.00 O ATOM 1594 CB ASP A 106 14.694 -7.386 -5.447 1.00 0.00 C ATOM 1595 CG ASP A 106 15.477 -7.933 -6.625 1.00 0.00 C ATOM 1596 OD1 ASP A 106 14.842 -8.414 -7.587 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.723 -7.879 -6.585 1.00 0.00 O ATOM 0 H ASP A 106 14.061 -5.167 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 106 12.779 -7.797 -6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.224 -6.531 -5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.643 -8.144 -4.665 1.00 0.00 H new ATOM 1602 N ALA A 107 12.634 -5.352 -4.137 1.00 0.00 N ATOM 1603 CA ALA A 107 11.931 -4.875 -2.953 1.00 0.00 C ATOM 1604 C ALA A 107 10.421 -5.007 -3.120 1.00 0.00 C ATOM 1605 O ALA A 107 9.816 -4.321 -3.944 1.00 0.00 O ATOM 1606 CB ALA A 107 12.308 -3.430 -2.661 1.00 0.00 C ATOM 0 H ALA A 107 13.237 -4.657 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 107 12.232 -5.495 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.775 -3.087 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.382 -3.362 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.037 -2.804 -3.511 1.00 0.00 H new ATOM 1612 N PHE A 108 9.818 -5.892 -2.335 1.00 0.00 N ATOM 1613 CA PHE A 108 8.378 -6.115 -2.398 1.00 0.00 C ATOM 1614 C PHE A 108 7.634 -5.113 -1.519 1.00 0.00 C ATOM 1615 O PHE A 108 8.113 -4.732 -0.451 1.00 0.00 O ATOM 1616 CB PHE A 108 8.041 -7.542 -1.961 1.00 0.00 C ATOM 1617 CG PHE A 108 8.969 -8.578 -2.530 1.00 0.00 C ATOM 1618 CD1 PHE A 108 9.148 -8.688 -3.899 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.660 -9.441 -1.695 1.00 0.00 C ATOM 1620 CE1 PHE A 108 10.001 -9.640 -4.426 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.514 -10.394 -2.216 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.684 -10.495 -3.584 1.00 0.00 C ATOM 0 H PHE A 108 10.304 -6.467 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 108 8.059 -5.974 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.071 -7.597 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.020 -7.775 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.615 -8.023 -4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.530 -9.368 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.133 -9.715 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 108 11.049 -11.060 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.349 -11.241 -3.993 1.00 0.00 H new ATOM 1632 N TYR A 109 6.461 -4.690 -1.978 1.00 0.00 N ATOM 1633 CA TYR A 109 5.652 -3.731 -1.236 1.00 0.00 C ATOM 1634 C TYR A 109 4.164 -4.001 -1.440 1.00 0.00 C ATOM 1635 O TYR A 109 3.742 -4.439 -2.510 1.00 0.00 O ATOM 1636 CB TYR A 109 5.987 -2.304 -1.673 1.00 0.00 C ATOM 1637 CG TYR A 109 7.306 -1.800 -1.133 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.533 -1.714 0.235 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.327 -1.410 -1.991 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.736 -1.253 0.733 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.535 -0.950 -1.503 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.734 -0.873 -0.140 1.00 0.00 C ATOM 1643 OH TYR A 109 10.935 -0.414 0.352 1.00 0.00 O ATOM 0 H TYR A 109 6.050 -4.996 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 109 5.882 -3.843 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.010 -2.262 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.191 -1.636 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.755 -2.013 0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.174 -1.467 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.894 -1.190 1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.318 -0.653 -2.184 1.00 0.00 H new ATOM 0 HH TYR A 109 11.604 -0.416 -0.364 1.00 0.00 H new ATOM 1653 N TYR A 110 3.374 -3.735 -0.406 1.00 0.00 N ATOM 1654 CA TYR A 110 1.934 -3.950 -0.469 1.00 0.00 C ATOM 1655 C TYR A 110 1.185 -2.848 0.275 1.00 0.00 C ATOM 1656 O TYR A 110 1.785 -2.056 1.003 1.00 0.00 O ATOM 1657 CB TYR A 110 1.574 -5.315 0.122 1.00 0.00 C ATOM 1658 CG TYR A 110 1.952 -5.463 1.578 1.00 0.00 C ATOM 1659 CD1 TYR A 110 3.237 -5.838 1.948 1.00 0.00 C ATOM 1660 CD2 TYR A 110 1.023 -5.226 2.584 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.587 -5.975 3.278 1.00 0.00 C ATOM 1662 CE2 TYR A 110 1.364 -5.360 3.917 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.647 -5.735 4.258 1.00 0.00 C ATOM 1664 OH TYR A 110 2.991 -5.869 5.584 1.00 0.00 O ATOM 0 H TYR A 110 3.707 -3.370 0.486 1.00 0.00 H new ATOM 0 HA TYR A 110 1.635 -3.925 -1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.501 -5.476 0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.072 -6.094 -0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.976 -6.026 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.018 -4.932 2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.591 -6.268 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.630 -5.172 4.687 1.00 0.00 H new ATOM 0 HH TYR A 110 2.215 -5.663 6.146 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.130 -2.805 0.088 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.962 -1.801 0.740 1.00 0.00 C ATOM 1676 C PHE A 111 -1.611 -2.367 2.000 1.00 0.00 C ATOM 1677 O PHE A 111 -1.968 -3.543 2.069 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.041 -1.299 -0.222 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.488 -0.691 -1.479 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.659 0.417 -1.421 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.798 -1.228 -2.718 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.149 0.979 -2.577 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.291 -0.671 -3.877 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.465 0.434 -3.806 1.00 0.00 C ATOM 0 H PHE A 111 -0.642 -3.454 -0.510 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.323 -0.966 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.695 -2.130 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.657 -0.559 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.408 0.847 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.443 -2.092 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.496 1.843 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.540 -1.099 -4.837 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.067 0.871 -4.710 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.767 -1.511 3.020 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.373 -1.902 4.296 1.00 0.00 C ATOM 1696 C PRO A 112 -3.867 -2.175 4.169 1.00 0.00 C ATOM 1697 O PRO A 112 -4.473 -2.791 5.046 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.125 -0.687 5.194 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.999 0.460 4.252 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.364 -0.095 3.007 1.00 0.00 C ATOM 0 HA PRO A 112 -1.947 -2.828 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.948 -0.537 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.220 -0.812 5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.975 0.894 4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.387 1.253 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.720 0.416 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.280 0.014 3.026 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.457 -1.713 3.072 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.881 -1.909 2.829 1.00 0.00 C ATOM 1710 C ASP A 113 -6.126 -3.183 2.026 1.00 0.00 C ATOM 1711 O ASP A 113 -7.082 -3.915 2.280 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.464 -0.705 2.088 1.00 0.00 C ATOM 1713 CG ASP A 113 -6.686 0.485 3.001 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -6.883 0.272 4.216 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -6.663 1.629 2.501 1.00 0.00 O ATOM 0 H ASP A 113 -3.971 -1.200 2.337 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.378 -2.008 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.791 -0.419 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.411 -0.988 1.629 1.00 0.00 H new ATOM 1720 N SER A 114 -5.255 -3.440 1.055 1.00 0.00 N ATOM 1721 CA SER A 114 -5.379 -4.623 0.211 1.00 0.00 C ATOM 1722 C SER A 114 -5.215 -5.897 1.034 1.00 0.00 C ATOM 1723 O SER A 114 -4.949 -5.844 2.234 1.00 0.00 O ATOM 1724 CB SER A 114 -4.338 -4.588 -0.909 1.00 0.00 C ATOM 1725 OG SER A 114 -4.683 -3.633 -1.897 1.00 0.00 O ATOM 0 H SER A 114 -4.456 -2.845 0.833 1.00 0.00 H new ATOM 0 HA SER A 114 -6.376 -4.622 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.360 -4.348 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.257 -5.575 -1.365 1.00 0.00 H new ATOM 0 HG SER A 114 -4.001 -3.629 -2.601 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.377 -7.043 0.379 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.244 -8.315 1.064 1.00 0.00 C ATOM 1733 C GLY A 115 -3.968 -9.044 0.691 1.00 0.00 C ATOM 1734 O GLY A 115 -3.939 -9.804 -0.276 1.00 0.00 O ATOM 0 H GLY A 115 -5.598 -7.113 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.262 -8.148 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.101 -8.944 0.825 1.00 0.00 H new ATOM 1738 N PHE A 116 -2.909 -8.810 1.459 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.623 -9.448 1.203 1.00 0.00 C ATOM 1740 C PHE A 116 -1.401 -10.625 2.149 1.00 0.00 C ATOM 1741 O PHE A 116 -1.917 -10.643 3.267 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.487 -8.434 1.357 1.00 0.00 C ATOM 1743 CG PHE A 116 0.820 -9.056 1.757 1.00 0.00 C ATOM 1744 CD1 PHE A 116 1.609 -9.707 0.822 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.262 -8.988 3.069 1.00 0.00 C ATOM 1746 CE1 PHE A 116 2.812 -10.280 1.188 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.464 -9.559 3.441 1.00 0.00 C ATOM 1748 CZ PHE A 116 3.241 -10.205 2.499 1.00 0.00 C ATOM 0 H PHE A 116 -2.916 -8.183 2.264 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.630 -9.824 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.354 -7.903 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.771 -7.692 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 116 1.280 -9.767 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.660 -8.483 3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.416 -10.786 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.796 -9.500 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 116 4.182 -10.650 2.787 1.00 0.00 H new ATOM 1758 N PHE A 117 -0.631 -11.606 1.692 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.341 -12.788 2.496 1.00 0.00 C ATOM 1760 C PHE A 117 0.879 -13.528 1.955 1.00 0.00 C ATOM 1761 O PHE A 117 0.926 -13.896 0.781 1.00 0.00 O ATOM 1762 CB PHE A 117 -1.551 -13.725 2.517 1.00 0.00 C ATOM 1763 CG PHE A 117 -1.788 -14.428 1.212 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.039 -15.540 0.862 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -2.761 -13.977 0.334 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.256 -16.188 -0.339 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -2.982 -14.621 -0.869 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.229 -15.729 -1.205 1.00 0.00 C ATOM 0 H PHE A 117 -0.196 -11.606 0.769 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.124 -12.461 3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.410 -14.469 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.440 -13.151 2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.277 -15.904 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.354 -13.112 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.665 -17.053 -0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.742 -14.258 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.401 -16.236 -2.143 1.00 0.00 H new ATOM 1778 N CYS A 118 1.864 -13.741 2.820 1.00 0.00 N ATOM 1779 CA CYS A 118 3.087 -14.436 2.431 1.00 0.00 C ATOM 1780 C CYS A 118 2.971 -15.932 2.701 1.00 0.00 C ATOM 1781 O CYS A 118 2.604 -16.347 3.799 1.00 0.00 O ATOM 1782 CB CYS A 118 4.287 -13.860 3.184 1.00 0.00 C ATOM 1783 SG CYS A 118 4.239 -14.135 4.970 1.00 0.00 S ATOM 0 H CYS A 118 1.840 -13.443 3.795 1.00 0.00 H new ATOM 0 HA CYS A 118 3.235 -14.289 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 118 5.200 -14.302 2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.341 -12.788 2.994 1.00 0.00 H new ATOM 0 HG CYS A 118 3.594 -15.235 5.222 1.00 0.00 H new ATOM 1789 N GLU A 119 3.286 -16.737 1.691 1.00 0.00 N ATOM 1790 CA GLU A 119 3.215 -18.187 1.819 1.00 0.00 C ATOM 1791 C GLU A 119 4.574 -18.767 2.202 1.00 0.00 C ATOM 1792 O GLU A 119 5.465 -18.891 1.363 1.00 0.00 O ATOM 1793 CB GLU A 119 2.731 -18.815 0.510 1.00 0.00 C ATOM 1794 CG GLU A 119 1.554 -18.086 -0.115 1.00 0.00 C ATOM 1795 CD GLU A 119 0.945 -18.850 -1.275 1.00 0.00 C ATOM 1796 OE1 GLU A 119 1.046 -20.094 -1.285 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.367 -18.202 -2.173 1.00 0.00 O ATOM 0 H GLU A 119 3.593 -16.409 0.775 1.00 0.00 H new ATOM 0 HA GLU A 119 2.503 -18.421 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.556 -18.833 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.449 -19.851 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.791 -17.917 0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.881 -17.106 -0.462 1.00 0.00 H new ATOM 1804 N GLU A 120 4.723 -19.119 3.475 1.00 0.00 N ATOM 1805 CA GLU A 120 5.973 -19.684 3.970 1.00 0.00 C ATOM 1806 C GLU A 120 6.146 -21.123 3.493 1.00 0.00 C ATOM 1807 O GLU A 120 6.140 -22.058 4.293 1.00 0.00 O ATOM 1808 CB GLU A 120 6.013 -19.633 5.498 1.00 0.00 C ATOM 1809 CG GLU A 120 6.597 -18.343 6.050 1.00 0.00 C ATOM 1810 CD GLU A 120 8.099 -18.419 6.243 1.00 0.00 C ATOM 1811 OE1 GLU A 120 8.770 -19.076 5.420 1.00 0.00 O ATOM 1812 OE2 GLU A 120 8.603 -17.821 7.217 1.00 0.00 O ATOM 0 H GLU A 120 3.994 -19.023 4.182 1.00 0.00 H new ATOM 0 HA GLU A 120 6.794 -19.087 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.001 -19.758 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.600 -20.474 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.363 -17.523 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.123 -18.113 7.004 1.00 0.00 H new ATOM 1819 N ASN A 121 6.299 -21.292 2.184 1.00 0.00 N ATOM 1820 CA ASN A 121 6.472 -22.617 1.599 1.00 0.00 C ATOM 1821 C ASN A 121 7.389 -23.478 2.464 1.00 0.00 C ATOM 1822 O ASN A 121 8.572 -23.177 2.621 1.00 0.00 O ATOM 1823 CB ASN A 121 7.046 -22.503 0.185 1.00 0.00 C ATOM 1824 CG ASN A 121 7.151 -23.848 -0.506 1.00 0.00 C ATOM 1825 OD1 ASN A 121 7.746 -24.787 0.024 1.00 0.00 O ATOM 1826 ND2 ASN A 121 6.572 -23.948 -1.697 1.00 0.00 N ATOM 0 H ASN A 121 6.307 -20.528 1.508 1.00 0.00 H new ATOM 0 HA ASN A 121 5.494 -23.095 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 121 6.415 -21.841 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 121 8.033 -22.044 0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 121 6.610 -24.829 -2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 121 6.089 -23.144 -2.099 1.00 0.00 H new ATOM 1833 N SER A 122 6.834 -24.549 3.022 1.00 0.00 N ATOM 1834 CA SER A 122 7.600 -25.451 3.873 1.00 0.00 C ATOM 1835 C SER A 122 7.400 -26.902 3.445 1.00 0.00 C ATOM 1836 O SER A 122 6.311 -27.457 3.581 1.00 0.00 O ATOM 1837 CB SER A 122 7.189 -25.278 5.336 1.00 0.00 C ATOM 1838 OG SER A 122 8.011 -26.053 6.192 1.00 0.00 O ATOM 0 H SER A 122 5.856 -24.813 2.900 1.00 0.00 H new ATOM 0 HA SER A 122 8.656 -25.201 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.258 -24.226 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.147 -25.573 5.462 1.00 0.00 H new ATOM 0 HG SER A 122 7.729 -25.924 7.122 1.00 0.00 H new ATOM 1844 N GLY A 123 8.463 -27.511 2.926 1.00 0.00 N ATOM 1845 CA GLY A 123 8.384 -28.892 2.485 1.00 0.00 C ATOM 1846 C GLY A 123 9.485 -29.251 1.506 1.00 0.00 C ATOM 1847 O GLY A 123 10.456 -28.514 1.333 1.00 0.00 O ATOM 0 H GLY A 123 9.376 -27.073 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.443 -29.551 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.415 -29.066 2.017 1.00 0.00 H new ATOM 1851 N PRO A 124 9.340 -30.410 0.847 1.00 0.00 N ATOM 1852 CA PRO A 124 10.320 -30.892 -0.130 1.00 0.00 C ATOM 1853 C PRO A 124 10.329 -30.055 -1.405 1.00 0.00 C ATOM 1854 O PRO A 124 9.280 -29.792 -1.993 1.00 0.00 O ATOM 1855 CB PRO A 124 9.850 -32.318 -0.430 1.00 0.00 C ATOM 1856 CG PRO A 124 8.390 -32.306 -0.133 1.00 0.00 C ATOM 1857 CD PRO A 124 8.207 -31.338 1.004 1.00 0.00 C ATOM 0 HA PRO A 124 11.339 -30.836 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.040 -32.587 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.374 -33.046 0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 124 7.817 -31.995 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.039 -33.301 0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.251 -30.819 0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.232 -31.843 1.970 1.00 0.00 H new ATOM 1865 N SER A 125 11.519 -29.639 -1.826 1.00 0.00 N ATOM 1866 CA SER A 125 11.663 -28.829 -3.030 1.00 0.00 C ATOM 1867 C SER A 125 13.087 -28.911 -3.572 1.00 0.00 C ATOM 1868 O SER A 125 14.040 -29.110 -2.819 1.00 0.00 O ATOM 1869 CB SER A 125 11.301 -27.372 -2.736 1.00 0.00 C ATOM 1870 OG SER A 125 9.992 -27.270 -2.202 1.00 0.00 O ATOM 0 H SER A 125 12.397 -29.849 -1.351 1.00 0.00 H new ATOM 0 HA SER A 125 10.981 -29.220 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.018 -26.951 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.371 -26.785 -3.652 1.00 0.00 H new ATOM 0 HG SER A 125 9.483 -28.076 -2.428 1.00 0.00 H new ATOM 1876 N SER A 126 13.223 -28.755 -4.885 1.00 0.00 N ATOM 1877 CA SER A 126 14.529 -28.815 -5.531 1.00 0.00 C ATOM 1878 C SER A 126 15.111 -27.417 -5.710 1.00 0.00 C ATOM 1879 O SER A 126 16.210 -27.124 -5.239 1.00 0.00 O ATOM 1880 CB SER A 126 14.419 -29.512 -6.889 1.00 0.00 C ATOM 1881 OG SER A 126 13.452 -28.879 -7.710 1.00 0.00 O ATOM 0 H SER A 126 12.445 -28.586 -5.522 1.00 0.00 H new ATOM 0 HA SER A 126 15.198 -29.389 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 126 15.388 -29.499 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.149 -30.558 -6.744 1.00 0.00 H new ATOM 0 HG SER A 126 13.402 -29.342 -8.572 1.00 0.00 H new ATOM 1887 N GLY A 127 14.365 -26.555 -6.395 1.00 0.00 N ATOM 1888 CA GLY A 127 14.823 -25.197 -6.625 1.00 0.00 C ATOM 1889 C GLY A 127 13.746 -24.168 -6.347 1.00 0.00 C ATOM 1890 O GLY A 127 12.812 -24.426 -5.588 1.00 0.00 O ATOM 0 H GLY A 127 13.452 -26.773 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 127 15.686 -24.996 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.157 -25.099 -7.658 1.00 0.00 H new TER 1894 GLY A 127