USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 639 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 76 SER OG : rot 180:sc=-0.00197 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.234 X(o=-0.24,f=-0.11) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0187 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 16:sc= 0.34 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 6 SER OG : rot -56:sc= 0.249 USER MOD Single : A 10 ASN : amide:sc=-0.000888 K(o=-0.00089,f=-3.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 173:sc= 0.404 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 120:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.000253 X(o=-0.00025,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.37) USER MOD Single : A 41 ASN : amide:sc= -2.54 K(o=-2.5,f=-8.1!) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.555 X(o=-0.55,f=-0.24) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=1.1) USER MOD Single : A 63 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-0.69) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00113 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= -1.51 (180deg=-2.74!) USER MOD Single : A 79 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.7) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0853 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.151 -31.732 -17.477 1.00 0.00 N ATOM 2 CA GLY A 1 -23.037 -31.684 -16.031 1.00 0.00 C ATOM 3 C GLY A 1 -21.723 -32.250 -15.533 1.00 0.00 C ATOM 4 O GLY A 1 -21.183 -33.190 -16.118 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.129 -31.968 -17.740 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.899 -30.805 -17.876 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.507 -32.457 -17.852 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.134 -30.651 -15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.861 -32.242 -15.586 1.00 0.00 H new ATOM 8 N SER A 2 -21.204 -31.677 -14.452 1.00 0.00 N ATOM 9 CA SER A 2 -19.941 -32.128 -13.879 1.00 0.00 C ATOM 10 C SER A 2 -19.943 -31.962 -12.362 1.00 0.00 C ATOM 11 O SER A 2 -20.621 -31.088 -11.823 1.00 0.00 O ATOM 12 CB SER A 2 -18.774 -31.348 -14.487 1.00 0.00 C ATOM 13 OG SER A 2 -18.733 -31.506 -15.895 1.00 0.00 O ATOM 0 H SER A 2 -21.639 -30.899 -13.955 1.00 0.00 H new ATOM 0 HA SER A 2 -19.822 -33.186 -14.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.871 -30.291 -14.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.836 -31.693 -14.052 1.00 0.00 H new ATOM 0 HG SER A 2 -17.979 -30.996 -16.260 1.00 0.00 H new ATOM 19 N SER A 3 -19.179 -32.810 -11.680 1.00 0.00 N ATOM 20 CA SER A 3 -19.094 -32.761 -10.225 1.00 0.00 C ATOM 21 C SER A 3 -17.739 -33.271 -9.742 1.00 0.00 C ATOM 22 O SER A 3 -17.239 -34.287 -10.222 1.00 0.00 O ATOM 23 CB SER A 3 -20.216 -33.592 -9.600 1.00 0.00 C ATOM 24 OG SER A 3 -21.441 -32.878 -9.602 1.00 0.00 O ATOM 0 H SER A 3 -18.610 -33.539 -12.112 1.00 0.00 H new ATOM 0 HA SER A 3 -19.204 -31.722 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.334 -34.524 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.949 -33.859 -8.578 1.00 0.00 H new ATOM 0 HG SER A 3 -21.374 -32.116 -10.214 1.00 0.00 H new ATOM 30 N GLY A 4 -17.150 -32.555 -8.789 1.00 0.00 N ATOM 31 CA GLY A 4 -15.859 -32.949 -8.256 1.00 0.00 C ATOM 32 C GLY A 4 -15.981 -33.762 -6.983 1.00 0.00 C ATOM 33 O GLY A 4 -16.479 -33.270 -5.970 1.00 0.00 O ATOM 0 H GLY A 4 -17.544 -31.709 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.322 -33.531 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.264 -32.058 -8.058 1.00 0.00 H new ATOM 37 N SER A 5 -15.525 -35.010 -7.033 1.00 0.00 N ATOM 38 CA SER A 5 -15.591 -35.894 -5.875 1.00 0.00 C ATOM 39 C SER A 5 -14.727 -35.362 -4.735 1.00 0.00 C ATOM 40 O SER A 5 -15.176 -35.269 -3.593 1.00 0.00 O ATOM 41 CB SER A 5 -15.138 -37.304 -6.258 1.00 0.00 C ATOM 42 OG SER A 5 -13.823 -37.292 -6.786 1.00 0.00 O ATOM 0 H SER A 5 -15.106 -35.431 -7.862 1.00 0.00 H new ATOM 0 HA SER A 5 -16.626 -35.932 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.176 -37.952 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.825 -37.723 -6.994 1.00 0.00 H new ATOM 0 HG SER A 5 -13.557 -38.205 -7.021 1.00 0.00 H new ATOM 48 N SER A 6 -13.484 -35.015 -5.056 1.00 0.00 N ATOM 49 CA SER A 6 -12.555 -34.496 -4.059 1.00 0.00 C ATOM 50 C SER A 6 -12.738 -32.992 -3.877 1.00 0.00 C ATOM 51 O SER A 6 -11.766 -32.239 -3.828 1.00 0.00 O ATOM 52 CB SER A 6 -11.113 -34.800 -4.469 1.00 0.00 C ATOM 53 OG SER A 6 -10.215 -34.545 -3.402 1.00 0.00 O ATOM 0 H SER A 6 -13.098 -35.084 -5.998 1.00 0.00 H new ATOM 0 HA SER A 6 -12.767 -34.988 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.031 -35.843 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.841 -34.191 -5.331 1.00 0.00 H new ATOM 0 HG SER A 6 -10.316 -33.617 -3.104 1.00 0.00 H new ATOM 59 N GLY A 7 -13.992 -32.562 -3.778 1.00 0.00 N ATOM 60 CA GLY A 7 -14.281 -31.151 -3.603 1.00 0.00 C ATOM 61 C GLY A 7 -14.939 -30.538 -4.823 1.00 0.00 C ATOM 62 O GLY A 7 -14.300 -30.370 -5.861 1.00 0.00 O ATOM 0 H GLY A 7 -14.813 -33.166 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.933 -31.021 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.355 -30.618 -3.387 1.00 0.00 H new ATOM 66 N GLU A 8 -16.220 -30.205 -4.698 1.00 0.00 N ATOM 67 CA GLU A 8 -16.965 -29.610 -5.801 1.00 0.00 C ATOM 68 C GLU A 8 -16.225 -28.401 -6.368 1.00 0.00 C ATOM 69 O GLU A 8 -16.068 -28.269 -7.582 1.00 0.00 O ATOM 70 CB GLU A 8 -18.363 -29.195 -5.337 1.00 0.00 C ATOM 71 CG GLU A 8 -19.368 -30.334 -5.341 1.00 0.00 C ATOM 72 CD GLU A 8 -19.552 -30.946 -6.716 1.00 0.00 C ATOM 73 OE1 GLU A 8 -20.408 -30.447 -7.477 1.00 0.00 O ATOM 74 OE2 GLU A 8 -18.842 -31.923 -7.032 1.00 0.00 O ATOM 0 H GLU A 8 -16.763 -30.337 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.059 -30.359 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.295 -28.785 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.729 -28.396 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.039 -31.106 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.329 -29.967 -4.979 1.00 0.00 H new ATOM 81 N ASP A 9 -15.774 -27.522 -5.480 1.00 0.00 N ATOM 82 CA ASP A 9 -15.051 -26.324 -5.889 1.00 0.00 C ATOM 83 C ASP A 9 -14.105 -25.856 -4.788 1.00 0.00 C ATOM 84 O ASP A 9 -14.319 -26.142 -3.610 1.00 0.00 O ATOM 85 CB ASP A 9 -16.033 -25.206 -6.244 1.00 0.00 C ATOM 86 CG ASP A 9 -17.212 -25.706 -7.054 1.00 0.00 C ATOM 87 OD1 ASP A 9 -18.122 -26.323 -6.460 1.00 0.00 O ATOM 88 OD2 ASP A 9 -17.227 -25.481 -8.282 1.00 0.00 O ATOM 0 H ASP A 9 -15.897 -27.617 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.459 -26.571 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.397 -24.741 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.511 -24.433 -6.808 1.00 0.00 H new ATOM 93 N ASN A 10 -13.058 -25.138 -5.179 1.00 0.00 N ATOM 94 CA ASN A 10 -12.078 -24.632 -4.224 1.00 0.00 C ATOM 95 C ASN A 10 -12.014 -23.109 -4.266 1.00 0.00 C ATOM 96 O ASN A 10 -12.600 -22.476 -5.145 1.00 0.00 O ATOM 97 CB ASN A 10 -10.697 -25.220 -4.520 1.00 0.00 C ATOM 98 CG ASN A 10 -10.576 -26.665 -4.077 1.00 0.00 C ATOM 99 OD1 ASN A 10 -11.526 -27.441 -4.186 1.00 0.00 O ATOM 100 ND2 ASN A 10 -9.404 -27.033 -3.572 1.00 0.00 N ATOM 0 H ASN A 10 -12.866 -24.893 -6.150 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.389 -24.937 -3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.499 -25.153 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.936 -24.624 -4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.264 -27.992 -3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.644 -26.356 -3.501 1.00 0.00 H new ATOM 107 N ARG A 11 -11.298 -22.526 -3.310 1.00 0.00 N ATOM 108 CA ARG A 11 -11.158 -21.076 -3.236 1.00 0.00 C ATOM 109 C ARG A 11 -9.703 -20.682 -2.998 1.00 0.00 C ATOM 110 O ARG A 11 -9.093 -21.091 -2.010 1.00 0.00 O ATOM 111 CB ARG A 11 -12.039 -20.513 -2.120 1.00 0.00 C ATOM 112 CG ARG A 11 -13.484 -20.291 -2.539 1.00 0.00 C ATOM 113 CD ARG A 11 -14.145 -19.206 -1.703 1.00 0.00 C ATOM 114 NE ARG A 11 -15.398 -18.745 -2.296 1.00 0.00 N ATOM 115 CZ ARG A 11 -16.184 -17.832 -1.737 1.00 0.00 C ATOM 116 NH1 ARG A 11 -15.847 -17.284 -0.577 1.00 0.00 N ATOM 117 NH2 ARG A 11 -17.308 -17.465 -2.338 1.00 0.00 N ATOM 0 H ARG A 11 -10.806 -23.035 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.479 -20.656 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.016 -21.196 -1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.619 -19.567 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.520 -20.013 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.041 -21.222 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.337 -19.588 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.462 -18.363 -1.598 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.685 -19.146 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.983 -17.564 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.452 -16.583 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.569 -17.884 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.911 -16.764 -1.908 1.00 0.00 H new ATOM 131 N ARG A 12 -9.154 -19.887 -3.910 1.00 0.00 N ATOM 132 CA ARG A 12 -7.771 -19.439 -3.799 1.00 0.00 C ATOM 133 C ARG A 12 -7.661 -17.940 -4.063 1.00 0.00 C ATOM 134 O ARG A 12 -8.416 -17.367 -4.849 1.00 0.00 O ATOM 135 CB ARG A 12 -6.884 -20.207 -4.782 1.00 0.00 C ATOM 136 CG ARG A 12 -6.430 -21.561 -4.262 1.00 0.00 C ATOM 137 CD ARG A 12 -5.118 -21.455 -3.502 1.00 0.00 C ATOM 138 NE ARG A 12 -4.612 -22.764 -3.099 1.00 0.00 N ATOM 139 CZ ARG A 12 -3.488 -22.938 -2.412 1.00 0.00 C ATOM 140 NH1 ARG A 12 -2.758 -21.891 -2.053 1.00 0.00 N ATOM 141 NH2 ARG A 12 -3.093 -24.161 -2.082 1.00 0.00 N ATOM 0 H ARG A 12 -9.645 -19.540 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.432 -19.637 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.429 -20.350 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.007 -19.604 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.197 -21.977 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.313 -22.252 -5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.377 -20.956 -4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.260 -20.833 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.151 -23.590 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.059 -20.949 -2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.896 -22.027 -1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.652 -24.969 -2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.230 -24.293 -1.555 1.00 0.00 H new ATOM 155 N PRO A 13 -6.700 -17.289 -3.391 1.00 0.00 N ATOM 156 CA PRO A 13 -6.470 -15.849 -3.536 1.00 0.00 C ATOM 157 C PRO A 13 -5.895 -15.488 -4.902 1.00 0.00 C ATOM 158 O PRO A 13 -5.722 -16.353 -5.762 1.00 0.00 O ATOM 159 CB PRO A 13 -5.457 -15.538 -2.431 1.00 0.00 C ATOM 160 CG PRO A 13 -4.749 -16.827 -2.194 1.00 0.00 C ATOM 161 CD PRO A 13 -5.765 -17.909 -2.438 1.00 0.00 C ATOM 0 HA PRO A 13 -7.396 -15.279 -3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.763 -14.756 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.953 -15.186 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.897 -16.933 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.361 -16.878 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.305 -18.806 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.267 -18.204 -1.517 1.00 0.00 H new ATOM 169 N LEU A 14 -5.601 -14.208 -5.096 1.00 0.00 N ATOM 170 CA LEU A 14 -5.044 -13.733 -6.358 1.00 0.00 C ATOM 171 C LEU A 14 -3.610 -13.248 -6.173 1.00 0.00 C ATOM 172 O LEU A 14 -2.730 -13.564 -6.973 1.00 0.00 O ATOM 173 CB LEU A 14 -5.907 -12.604 -6.926 1.00 0.00 C ATOM 174 CG LEU A 14 -6.472 -11.614 -5.907 1.00 0.00 C ATOM 175 CD1 LEU A 14 -6.640 -10.239 -6.535 1.00 0.00 C ATOM 176 CD2 LEU A 14 -7.798 -12.115 -5.354 1.00 0.00 C ATOM 0 H LEU A 14 -5.739 -13.480 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.038 -14.567 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.312 -12.049 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.740 -13.049 -7.471 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.766 -11.530 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.043 -9.548 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.672 -9.876 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.325 -10.306 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.185 -11.397 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.512 -12.229 -6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.648 -13.078 -4.866 1.00 0.00 H new ATOM 188 N TRP A 15 -3.383 -12.482 -5.112 1.00 0.00 N ATOM 189 CA TRP A 15 -2.054 -11.955 -4.820 1.00 0.00 C ATOM 190 C TRP A 15 -1.495 -12.566 -3.540 1.00 0.00 C ATOM 191 O TRP A 15 -0.574 -13.380 -3.581 1.00 0.00 O ATOM 192 CB TRP A 15 -2.103 -10.432 -4.694 1.00 0.00 C ATOM 193 CG TRP A 15 -2.140 -9.727 -6.017 1.00 0.00 C ATOM 194 CD1 TRP A 15 -3.103 -9.840 -6.979 1.00 0.00 C ATOM 195 CD2 TRP A 15 -1.170 -8.803 -6.523 1.00 0.00 C ATOM 196 NE1 TRP A 15 -2.790 -9.041 -8.052 1.00 0.00 N ATOM 197 CE2 TRP A 15 -1.610 -8.394 -7.797 1.00 0.00 C ATOM 198 CE3 TRP A 15 0.025 -8.280 -6.023 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -0.895 -7.489 -8.576 1.00 0.00 C ATOM 200 CZ3 TRP A 15 0.734 -7.381 -6.797 1.00 0.00 C ATOM 201 CH2 TRP A 15 0.272 -6.992 -8.062 1.00 0.00 C ATOM 0 H TRP A 15 -4.101 -12.212 -4.440 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.395 -12.223 -5.646 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.983 -10.151 -4.116 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.232 -10.093 -4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.981 -10.465 -6.907 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.347 -8.945 -8.901 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.388 -8.573 -5.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.249 -7.190 -9.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.660 -6.971 -6.421 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.848 -6.286 -8.642 1.00 0.00 H new ATOM 212 N GLU A 16 -2.060 -12.167 -2.404 1.00 0.00 N ATOM 213 CA GLU A 16 -1.616 -12.677 -1.112 1.00 0.00 C ATOM 214 C GLU A 16 -2.653 -12.391 -0.029 1.00 0.00 C ATOM 215 O GLU A 16 -3.319 -11.356 -0.030 1.00 0.00 O ATOM 216 CB GLU A 16 -0.274 -12.051 -0.725 1.00 0.00 C ATOM 217 CG GLU A 16 0.918 -12.690 -1.418 1.00 0.00 C ATOM 218 CD GLU A 16 2.222 -12.437 -0.687 1.00 0.00 C ATOM 219 OE1 GLU A 16 2.413 -13.015 0.403 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.051 -11.660 -1.205 1.00 0.00 O ATOM 0 H GLU A 16 -2.824 -11.494 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.494 -13.757 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.296 -10.988 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.143 -12.132 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.754 -13.765 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.994 -12.302 -2.434 1.00 0.00 H new ATOM 227 N PRO A 17 -2.794 -13.331 0.917 1.00 0.00 N ATOM 228 CA PRO A 17 -3.748 -13.205 2.023 1.00 0.00 C ATOM 229 C PRO A 17 -3.340 -12.124 3.019 1.00 0.00 C ATOM 230 O PRO A 17 -4.144 -11.265 3.379 1.00 0.00 O ATOM 231 CB PRO A 17 -3.709 -14.584 2.685 1.00 0.00 C ATOM 232 CG PRO A 17 -2.365 -15.130 2.344 1.00 0.00 C ATOM 233 CD PRO A 17 -2.033 -14.591 0.980 1.00 0.00 C ATOM 0 HA PRO A 17 -4.739 -12.913 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.844 -14.509 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.505 -15.227 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.621 -14.821 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.376 -16.220 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.963 -14.420 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.332 -15.281 0.191 1.00 0.00 H new ATOM 241 N GLU A 18 -2.087 -12.175 3.460 1.00 0.00 N ATOM 242 CA GLU A 18 -1.574 -11.199 4.415 1.00 0.00 C ATOM 243 C GLU A 18 -1.069 -9.950 3.699 1.00 0.00 C ATOM 244 O GLU A 18 -0.085 -9.340 4.114 1.00 0.00 O ATOM 245 CB GLU A 18 -0.447 -11.813 5.249 1.00 0.00 C ATOM 246 CG GLU A 18 0.500 -12.686 4.443 1.00 0.00 C ATOM 247 CD GLU A 18 1.743 -13.070 5.221 1.00 0.00 C ATOM 248 OE1 GLU A 18 2.108 -12.330 6.159 1.00 0.00 O ATOM 249 OE2 GLU A 18 2.352 -14.110 4.893 1.00 0.00 O ATOM 0 H GLU A 18 -1.409 -12.881 3.172 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.391 -10.912 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.123 -11.012 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.883 -12.409 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.022 -13.590 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.792 -12.157 3.536 1.00 0.00 H new ATOM 256 N GLU A 19 -1.751 -9.577 2.620 1.00 0.00 N ATOM 257 CA GLU A 19 -1.371 -8.402 1.845 1.00 0.00 C ATOM 258 C GLU A 19 -2.605 -7.638 1.374 1.00 0.00 C ATOM 259 O GLU A 19 -3.635 -8.234 1.057 1.00 0.00 O ATOM 260 CB GLU A 19 -0.520 -8.810 0.641 1.00 0.00 C ATOM 261 CG GLU A 19 0.719 -9.608 1.013 1.00 0.00 C ATOM 262 CD GLU A 19 1.796 -8.750 1.648 1.00 0.00 C ATOM 263 OE1 GLU A 19 2.251 -7.789 0.994 1.00 0.00 O ATOM 264 OE2 GLU A 19 2.183 -9.040 2.799 1.00 0.00 O ATOM 0 H GLU A 19 -2.569 -10.071 2.263 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.784 -7.748 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.131 -9.401 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.216 -7.913 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.440 -10.404 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.120 -10.086 0.120 1.00 0.00 H new ATOM 271 N THR A 20 -2.494 -6.314 1.331 1.00 0.00 N ATOM 272 CA THR A 20 -3.600 -5.468 0.901 1.00 0.00 C ATOM 273 C THR A 20 -3.483 -5.120 -0.578 1.00 0.00 C ATOM 274 O THR A 20 -2.658 -4.294 -0.969 1.00 0.00 O ATOM 275 CB THR A 20 -3.661 -4.164 1.720 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.846 -4.465 3.107 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.793 -3.272 1.234 1.00 0.00 C ATOM 0 H THR A 20 -1.649 -5.804 1.589 1.00 0.00 H new ATOM 0 HA THR A 20 -4.515 -6.036 1.067 1.00 0.00 H new ATOM 0 HB THR A 20 -2.719 -3.633 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.882 -3.631 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.816 -2.358 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.633 -3.020 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.742 -3.798 1.341 1.00 0.00 H new ATOM 285 N VAL A 21 -4.315 -5.755 -1.398 1.00 0.00 N ATOM 286 CA VAL A 21 -4.306 -5.511 -2.836 1.00 0.00 C ATOM 287 C VAL A 21 -5.323 -4.442 -3.218 1.00 0.00 C ATOM 288 O VAL A 21 -6.467 -4.468 -2.764 1.00 0.00 O ATOM 289 CB VAL A 21 -4.609 -6.799 -3.625 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.717 -6.500 -5.113 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.542 -7.850 -3.360 1.00 0.00 C ATOM 0 H VAL A 21 -5.004 -6.442 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.305 -5.164 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.567 -7.195 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.931 -7.421 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.521 -5.784 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.776 -6.080 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.772 -8.753 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.569 -7.467 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.519 -8.084 -2.296 1.00 0.00 H new ATOM 301 N VAL A 22 -4.899 -3.503 -4.057 1.00 0.00 N ATOM 302 CA VAL A 22 -5.773 -2.424 -4.503 1.00 0.00 C ATOM 303 C VAL A 22 -5.828 -2.355 -6.025 1.00 0.00 C ATOM 304 O VAL A 22 -4.886 -2.756 -6.709 1.00 0.00 O ATOM 305 CB VAL A 22 -5.309 -1.062 -3.954 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.765 -0.883 -2.514 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.797 -0.931 -4.063 1.00 0.00 C ATOM 0 H VAL A 22 -3.955 -3.467 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.768 -2.643 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.764 -0.274 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.428 0.085 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.853 -0.930 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.341 -1.675 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.486 0.037 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.321 -1.725 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.499 -1.011 -5.108 1.00 0.00 H new ATOM 317 N ILE A 23 -6.937 -1.843 -6.548 1.00 0.00 N ATOM 318 CA ILE A 23 -7.113 -1.720 -7.990 1.00 0.00 C ATOM 319 C ILE A 23 -7.274 -0.260 -8.401 1.00 0.00 C ATOM 320 O ILE A 23 -7.930 0.521 -7.712 1.00 0.00 O ATOM 321 CB ILE A 23 -8.338 -2.516 -8.477 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.427 -3.856 -7.744 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.264 -2.734 -9.981 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.236 -3.793 -6.467 1.00 0.00 C ATOM 0 H ILE A 23 -7.726 -1.507 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.216 -2.129 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.237 -1.941 -8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.871 -4.596 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.420 -4.201 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.137 -3.298 -10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.243 -1.769 -10.488 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.359 -3.291 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.257 -4.778 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.781 -3.077 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.254 -3.479 -6.696 1.00 0.00 H new ATOM 336 N ALA A 24 -6.672 0.101 -9.530 1.00 0.00 N ATOM 337 CA ALA A 24 -6.751 1.466 -10.035 1.00 0.00 C ATOM 338 C ALA A 24 -7.973 1.650 -10.929 1.00 0.00 C ATOM 339 O ALA A 24 -8.189 0.882 -11.868 1.00 0.00 O ATOM 340 CB ALA A 24 -5.481 1.822 -10.793 1.00 0.00 C ATOM 0 H ALA A 24 -6.124 -0.533 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.852 2.138 -9.183 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.554 2.844 -11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.623 1.739 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.355 1.139 -11.633 1.00 0.00 H new ATOM 346 N LEU A 25 -8.769 2.671 -10.633 1.00 0.00 N ATOM 347 CA LEU A 25 -9.970 2.956 -11.410 1.00 0.00 C ATOM 348 C LEU A 25 -9.610 3.437 -12.812 1.00 0.00 C ATOM 349 O LEU A 25 -10.201 3.001 -13.800 1.00 0.00 O ATOM 350 CB LEU A 25 -10.823 4.009 -10.700 1.00 0.00 C ATOM 351 CG LEU A 25 -11.250 3.675 -9.270 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.500 4.947 -8.477 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.491 2.795 -9.276 1.00 0.00 C ATOM 0 H LEU A 25 -8.604 3.316 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.543 2.033 -11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.267 4.946 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.720 4.182 -11.295 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.441 3.125 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.803 4.689 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.586 5.540 -8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.290 5.525 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.781 2.567 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.306 3.319 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.277 1.867 -9.807 1.00 0.00 H new ATOM 365 N TYR A 26 -8.636 4.337 -12.891 1.00 0.00 N ATOM 366 CA TYR A 26 -8.197 4.877 -14.172 1.00 0.00 C ATOM 367 C TYR A 26 -6.696 4.678 -14.362 1.00 0.00 C ATOM 368 O TYR A 26 -5.986 4.303 -13.429 1.00 0.00 O ATOM 369 CB TYR A 26 -8.542 6.365 -14.266 1.00 0.00 C ATOM 370 CG TYR A 26 -9.795 6.745 -13.510 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.739 7.104 -12.169 1.00 0.00 C ATOM 372 CD2 TYR A 26 -11.034 6.748 -14.138 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.881 7.451 -11.475 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.182 7.095 -13.452 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.100 7.446 -12.120 1.00 0.00 C ATOM 376 OH TYR A 26 -13.240 7.793 -11.432 1.00 0.00 O ATOM 0 H TYR A 26 -8.136 4.708 -12.083 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.719 4.339 -14.963 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.705 6.948 -13.882 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.664 6.635 -15.315 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.786 7.112 -11.661 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.101 6.474 -15.181 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.820 7.725 -10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.138 7.092 -13.955 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.013 7.739 -12.032 1.00 0.00 H new ATOM 386 N ASP A 27 -6.222 4.933 -15.576 1.00 0.00 N ATOM 387 CA ASP A 27 -4.805 4.784 -15.890 1.00 0.00 C ATOM 388 C ASP A 27 -4.043 6.070 -15.586 1.00 0.00 C ATOM 389 O ASP A 27 -4.049 7.010 -16.382 1.00 0.00 O ATOM 390 CB ASP A 27 -4.624 4.404 -17.360 1.00 0.00 C ATOM 391 CG ASP A 27 -3.185 4.536 -17.819 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.282 4.116 -17.066 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.963 5.057 -18.931 1.00 0.00 O ATOM 0 H ASP A 27 -6.797 5.244 -16.359 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.401 3.988 -15.265 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.958 3.377 -17.511 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.259 5.039 -17.977 1.00 0.00 H new ATOM 398 N TYR A 28 -3.390 6.106 -14.430 1.00 0.00 N ATOM 399 CA TYR A 28 -2.626 7.278 -14.020 1.00 0.00 C ATOM 400 C TYR A 28 -1.311 7.367 -14.788 1.00 0.00 C ATOM 401 O TYR A 28 -0.626 6.364 -14.986 1.00 0.00 O ATOM 402 CB TYR A 28 -2.350 7.231 -12.516 1.00 0.00 C ATOM 403 CG TYR A 28 -1.557 8.415 -12.009 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.980 9.716 -12.255 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.386 8.233 -11.284 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.258 10.800 -11.794 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.341 9.311 -10.818 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.099 10.593 -11.076 1.00 0.00 C ATOM 409 OH TYR A 28 0.622 11.670 -10.615 1.00 0.00 O ATOM 0 H TYR A 28 -3.374 5.337 -13.760 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.218 8.165 -14.247 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.299 7.185 -11.982 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.808 6.315 -12.283 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.888 9.882 -12.816 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.038 7.231 -11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.600 11.805 -11.995 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.249 9.151 -10.255 1.00 0.00 H new ATOM 0 HH TYR A 28 1.345 11.355 -10.033 1.00 0.00 H new ATOM 419 N GLN A 29 -0.965 8.577 -15.217 1.00 0.00 N ATOM 420 CA GLN A 29 0.269 8.798 -15.963 1.00 0.00 C ATOM 421 C GLN A 29 1.201 9.738 -15.206 1.00 0.00 C ATOM 422 O GLN A 29 0.786 10.798 -14.736 1.00 0.00 O ATOM 423 CB GLN A 29 -0.043 9.374 -17.345 1.00 0.00 C ATOM 424 CG GLN A 29 -0.251 8.313 -18.414 1.00 0.00 C ATOM 425 CD GLN A 29 -0.638 8.903 -19.755 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.804 8.862 -20.151 1.00 0.00 O ATOM 427 NE2 GLN A 29 0.339 9.457 -20.463 1.00 0.00 N ATOM 0 H GLN A 29 -1.521 9.418 -15.061 1.00 0.00 H new ATOM 0 HA GLN A 29 0.770 7.837 -16.082 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.939 9.991 -17.278 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.773 10.029 -17.649 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.665 7.733 -18.527 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.028 7.622 -18.088 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.291 9.469 -20.097 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.138 9.871 -21.373 1.00 0.00 H new ATOM 436 N THR A 30 2.466 9.343 -15.091 1.00 0.00 N ATOM 437 CA THR A 30 3.457 10.149 -14.390 1.00 0.00 C ATOM 438 C THR A 30 4.820 10.056 -15.067 1.00 0.00 C ATOM 439 O THR A 30 5.168 9.026 -15.642 1.00 0.00 O ATOM 440 CB THR A 30 3.597 9.713 -12.919 1.00 0.00 C ATOM 441 OG1 THR A 30 4.397 10.660 -12.202 1.00 0.00 O ATOM 442 CG2 THR A 30 4.228 8.332 -12.821 1.00 0.00 C ATOM 0 H THR A 30 2.827 8.470 -15.475 1.00 0.00 H new ATOM 0 HA THR A 30 3.107 11.181 -14.424 1.00 0.00 H new ATOM 0 HB THR A 30 2.601 9.672 -12.479 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.872 11.043 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.316 8.046 -11.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.602 7.608 -13.343 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.218 8.351 -13.277 1.00 0.00 H new ATOM 450 N ASN A 31 5.586 11.139 -14.995 1.00 0.00 N ATOM 451 CA ASN A 31 6.912 11.179 -15.602 1.00 0.00 C ATOM 452 C ASN A 31 7.971 11.555 -14.570 1.00 0.00 C ATOM 453 O ASN A 31 8.948 12.235 -14.887 1.00 0.00 O ATOM 454 CB ASN A 31 6.935 12.179 -16.760 1.00 0.00 C ATOM 455 CG ASN A 31 6.322 11.611 -18.026 1.00 0.00 C ATOM 456 OD1 ASN A 31 5.231 12.009 -18.433 1.00 0.00 O ATOM 457 ND2 ASN A 31 7.024 10.674 -18.654 1.00 0.00 N ATOM 0 H ASN A 31 5.312 12.001 -14.523 1.00 0.00 H new ATOM 0 HA ASN A 31 7.140 10.184 -15.985 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.394 13.080 -16.470 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.965 12.476 -16.960 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.662 10.254 -19.510 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.924 10.375 -18.280 1.00 0.00 H new ATOM 464 N ASP A 32 7.772 11.107 -13.336 1.00 0.00 N ATOM 465 CA ASP A 32 8.711 11.394 -12.257 1.00 0.00 C ATOM 466 C ASP A 32 9.097 10.116 -11.519 1.00 0.00 C ATOM 467 O ASP A 32 8.290 9.203 -11.343 1.00 0.00 O ATOM 468 CB ASP A 32 8.103 12.400 -11.278 1.00 0.00 C ATOM 469 CG ASP A 32 8.378 13.836 -11.679 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.364 14.126 -12.893 1.00 0.00 O ATOM 471 OD2 ASP A 32 8.606 14.669 -10.777 1.00 0.00 O ATOM 0 H ASP A 32 6.969 10.543 -13.057 1.00 0.00 H new ATOM 0 HA ASP A 32 9.611 11.825 -12.696 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.026 12.242 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.505 12.221 -10.281 1.00 0.00 H new ATOM 476 N PRO A 33 10.361 10.048 -11.076 1.00 0.00 N ATOM 477 CA PRO A 33 10.884 8.886 -10.349 1.00 0.00 C ATOM 478 C PRO A 33 10.284 8.757 -8.953 1.00 0.00 C ATOM 479 O PRO A 33 10.256 7.669 -8.379 1.00 0.00 O ATOM 480 CB PRO A 33 12.386 9.169 -10.262 1.00 0.00 C ATOM 481 CG PRO A 33 12.498 10.652 -10.351 1.00 0.00 C ATOM 482 CD PRO A 33 11.378 11.099 -11.249 1.00 0.00 C ATOM 0 HA PRO A 33 10.641 7.949 -10.850 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.806 8.796 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.928 8.682 -11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.414 11.109 -9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.465 10.947 -10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.997 12.078 -10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.702 11.178 -12.287 1.00 0.00 H new ATOM 490 N GLN A 34 9.806 9.874 -8.414 1.00 0.00 N ATOM 491 CA GLN A 34 9.207 9.885 -7.085 1.00 0.00 C ATOM 492 C GLN A 34 7.817 9.259 -7.109 1.00 0.00 C ATOM 493 O GLN A 34 7.392 8.631 -6.140 1.00 0.00 O ATOM 494 CB GLN A 34 9.126 11.316 -6.551 1.00 0.00 C ATOM 495 CG GLN A 34 10.481 11.921 -6.222 1.00 0.00 C ATOM 496 CD GLN A 34 10.496 13.430 -6.362 1.00 0.00 C ATOM 497 OE1 GLN A 34 10.054 13.976 -7.373 1.00 0.00 O ATOM 498 NE2 GLN A 34 11.004 14.114 -5.343 1.00 0.00 N ATOM 0 H GLN A 34 9.822 10.783 -8.877 1.00 0.00 H new ATOM 0 HA GLN A 34 9.840 9.293 -6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.627 11.943 -7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.506 11.326 -5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.757 11.652 -5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.236 11.491 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.359 13.620 -4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.039 15.133 -5.379 1.00 0.00 H new ATOM 507 N GLU A 35 7.114 9.434 -8.224 1.00 0.00 N ATOM 508 CA GLU A 35 5.770 8.887 -8.373 1.00 0.00 C ATOM 509 C GLU A 35 5.779 7.665 -9.288 1.00 0.00 C ATOM 510 O GLU A 35 6.815 7.300 -9.845 1.00 0.00 O ATOM 511 CB GLU A 35 4.822 9.949 -8.932 1.00 0.00 C ATOM 512 CG GLU A 35 4.433 11.012 -7.918 1.00 0.00 C ATOM 513 CD GLU A 35 3.982 12.304 -8.571 1.00 0.00 C ATOM 514 OE1 GLU A 35 2.821 12.366 -9.026 1.00 0.00 O ATOM 515 OE2 GLU A 35 4.791 13.254 -8.628 1.00 0.00 O ATOM 0 H GLU A 35 7.452 9.950 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 35 5.419 8.580 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.294 10.431 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.919 9.461 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.632 10.630 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.283 11.216 -7.267 1.00 0.00 H new ATOM 522 N LEU A 36 4.618 7.037 -9.436 1.00 0.00 N ATOM 523 CA LEU A 36 4.490 5.855 -10.283 1.00 0.00 C ATOM 524 C LEU A 36 3.260 5.957 -11.178 1.00 0.00 C ATOM 525 O LEU A 36 2.262 6.577 -10.810 1.00 0.00 O ATOM 526 CB LEU A 36 4.406 4.594 -9.422 1.00 0.00 C ATOM 527 CG LEU A 36 4.109 3.292 -10.167 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.388 2.697 -10.734 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.418 2.296 -9.246 1.00 0.00 C ATOM 0 H LEU A 36 3.752 7.326 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 36 5.374 5.796 -10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.350 4.478 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.632 4.743 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 36 3.438 3.516 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.156 1.771 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.842 3.405 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.084 2.488 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.214 1.375 -9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.064 2.078 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.480 2.721 -8.889 1.00 0.00 H new ATOM 541 N ALA A 37 3.337 5.343 -12.354 1.00 0.00 N ATOM 542 CA ALA A 37 2.228 5.361 -13.300 1.00 0.00 C ATOM 543 C ALA A 37 1.385 4.096 -13.181 1.00 0.00 C ATOM 544 O ALA A 37 1.845 2.999 -13.501 1.00 0.00 O ATOM 545 CB ALA A 37 2.749 5.519 -14.721 1.00 0.00 C ATOM 0 H ALA A 37 4.156 4.827 -12.675 1.00 0.00 H new ATOM 0 HA ALA A 37 1.592 6.214 -13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.910 5.531 -15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.302 6.454 -14.804 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.408 4.685 -14.962 1.00 0.00 H new ATOM 551 N LEU A 38 0.150 4.256 -12.720 1.00 0.00 N ATOM 552 CA LEU A 38 -0.759 3.126 -12.558 1.00 0.00 C ATOM 553 C LEU A 38 -1.399 2.747 -13.889 1.00 0.00 C ATOM 554 O LEU A 38 -1.187 3.413 -14.903 1.00 0.00 O ATOM 555 CB LEU A 38 -1.844 3.461 -11.534 1.00 0.00 C ATOM 556 CG LEU A 38 -1.361 3.744 -10.111 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.471 4.376 -9.286 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.866 2.465 -9.452 1.00 0.00 C ATOM 0 H LEU A 38 -0.246 5.157 -12.452 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.180 2.275 -12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.394 4.332 -11.889 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.550 2.631 -11.498 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.530 4.448 -10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.109 4.570 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.778 5.314 -9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.323 3.697 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.526 2.685 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.678 1.739 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.039 2.054 -10.031 1.00 0.00 H new ATOM 570 N ARG A 39 -2.184 1.675 -13.879 1.00 0.00 N ATOM 571 CA ARG A 39 -2.857 1.208 -15.085 1.00 0.00 C ATOM 572 C ARG A 39 -4.310 0.849 -14.793 1.00 0.00 C ATOM 573 O ARG A 39 -4.646 0.432 -13.684 1.00 0.00 O ATOM 574 CB ARG A 39 -2.127 -0.005 -15.665 1.00 0.00 C ATOM 575 CG ARG A 39 -2.539 -0.341 -17.088 1.00 0.00 C ATOM 576 CD ARG A 39 -1.416 -1.034 -17.844 1.00 0.00 C ATOM 577 NE ARG A 39 -1.827 -1.436 -19.187 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.985 -0.583 -20.193 1.00 0.00 C ATOM 579 NH1 ARG A 39 -1.768 0.712 -20.009 1.00 0.00 N ATOM 580 NH2 ARG A 39 -2.361 -1.025 -21.386 1.00 0.00 N ATOM 0 H ARG A 39 -2.370 1.113 -13.048 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.841 2.017 -15.816 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.053 0.182 -15.641 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.314 -0.870 -15.028 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.419 -0.984 -17.071 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.822 0.572 -17.611 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.558 -0.365 -17.912 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.091 -1.912 -17.286 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.002 -2.426 -19.362 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.479 1.056 -19.093 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.890 1.365 -20.783 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.529 -2.021 -21.531 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.482 -0.369 -22.158 1.00 0.00 H new ATOM 594 N ARG A 40 -5.168 1.013 -15.795 1.00 0.00 N ATOM 595 CA ARG A 40 -6.586 0.708 -15.644 1.00 0.00 C ATOM 596 C ARG A 40 -6.809 -0.797 -15.529 1.00 0.00 C ATOM 597 O ARG A 40 -6.289 -1.574 -16.329 1.00 0.00 O ATOM 598 CB ARG A 40 -7.377 1.262 -16.831 1.00 0.00 C ATOM 599 CG ARG A 40 -8.872 1.002 -16.741 1.00 0.00 C ATOM 600 CD ARG A 40 -9.663 2.008 -17.562 1.00 0.00 C ATOM 601 NE ARG A 40 -11.087 1.686 -17.599 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.984 2.396 -18.274 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.606 3.462 -18.965 1.00 0.00 N ATOM 604 NH2 ARG A 40 -13.262 2.039 -18.259 1.00 0.00 N ATOM 0 H ARG A 40 -4.906 1.355 -16.720 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.939 1.181 -14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.207 2.336 -16.900 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.994 0.819 -17.750 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.089 -0.007 -17.093 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.189 1.051 -15.699 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.528 3.005 -17.142 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.271 2.034 -18.579 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.411 0.871 -17.078 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.624 3.739 -18.979 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.297 4.006 -19.483 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.556 1.219 -17.729 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.950 2.585 -18.778 1.00 0.00 H new ATOM 618 N ASN A 41 -7.585 -1.200 -14.529 1.00 0.00 N ATOM 619 CA ASN A 41 -7.876 -2.612 -14.309 1.00 0.00 C ATOM 620 C ASN A 41 -6.608 -3.378 -13.944 1.00 0.00 C ATOM 621 O ASN A 41 -6.419 -4.520 -14.362 1.00 0.00 O ATOM 622 CB ASN A 41 -8.513 -3.224 -15.558 1.00 0.00 C ATOM 623 CG ASN A 41 -9.724 -2.444 -16.030 1.00 0.00 C ATOM 624 OD1 ASN A 41 -9.961 -1.318 -15.591 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.498 -3.040 -16.929 1.00 0.00 N ATOM 0 H ASN A 41 -8.024 -0.569 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.577 -2.687 -13.478 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.774 -3.262 -16.358 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.806 -4.252 -15.346 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.327 -2.564 -17.284 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.263 -3.974 -17.265 1.00 0.00 H new ATOM 632 N GLU A 42 -5.742 -2.741 -13.161 1.00 0.00 N ATOM 633 CA GLU A 42 -4.492 -3.363 -12.740 1.00 0.00 C ATOM 634 C GLU A 42 -4.332 -3.291 -11.224 1.00 0.00 C ATOM 635 O GLU A 42 -4.301 -2.206 -10.645 1.00 0.00 O ATOM 636 CB GLU A 42 -3.304 -2.683 -13.423 1.00 0.00 C ATOM 637 CG GLU A 42 -3.085 -3.135 -14.857 1.00 0.00 C ATOM 638 CD GLU A 42 -3.254 -4.632 -15.029 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.528 -5.392 -14.355 1.00 0.00 O ATOM 640 OE2 GLU A 42 -4.112 -5.044 -15.837 1.00 0.00 O ATOM 0 H GLU A 42 -5.883 -1.795 -12.806 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.520 -4.412 -13.035 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.458 -1.604 -13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.401 -2.883 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.788 -2.617 -15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.083 -2.847 -15.176 1.00 0.00 H new ATOM 647 N GLU A 43 -4.231 -4.455 -10.590 1.00 0.00 N ATOM 648 CA GLU A 43 -4.076 -4.524 -9.142 1.00 0.00 C ATOM 649 C GLU A 43 -2.650 -4.169 -8.730 1.00 0.00 C ATOM 650 O GLU A 43 -1.709 -4.334 -9.506 1.00 0.00 O ATOM 651 CB GLU A 43 -4.431 -5.923 -8.634 1.00 0.00 C ATOM 652 CG GLU A 43 -5.880 -6.309 -8.878 1.00 0.00 C ATOM 653 CD GLU A 43 -6.097 -6.929 -10.244 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.829 -8.140 -10.396 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.535 -6.204 -11.162 1.00 0.00 O ATOM 0 H GLU A 43 -4.254 -5.362 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.757 -3.799 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.783 -6.652 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.225 -5.975 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.199 -7.013 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.509 -5.424 -8.781 1.00 0.00 H new ATOM 662 N TYR A 44 -2.499 -3.679 -7.504 1.00 0.00 N ATOM 663 CA TYR A 44 -1.189 -3.297 -6.990 1.00 0.00 C ATOM 664 C TYR A 44 -1.052 -3.670 -5.517 1.00 0.00 C ATOM 665 O TYR A 44 -1.922 -3.357 -4.702 1.00 0.00 O ATOM 666 CB TYR A 44 -0.965 -1.795 -7.170 1.00 0.00 C ATOM 667 CG TYR A 44 -0.892 -1.363 -8.617 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.048 -1.164 -9.362 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.333 -1.155 -9.239 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.986 -0.769 -10.685 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.404 -0.759 -10.561 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.758 -0.568 -11.279 1.00 0.00 C ATOM 673 OH TYR A 44 -0.690 -0.175 -12.596 1.00 0.00 O ATOM 0 H TYR A 44 -3.267 -3.537 -6.848 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.432 -3.841 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.774 -1.254 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.040 -1.511 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.011 -1.321 -8.899 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.245 -1.305 -8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.894 -0.619 -11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.364 -0.600 -11.029 1.00 0.00 H new ATOM 0 HH TYR A 44 0.249 -0.077 -12.860 1.00 0.00 H new ATOM 683 N CYS A 45 0.045 -4.340 -5.183 1.00 0.00 N ATOM 684 CA CYS A 45 0.297 -4.757 -3.808 1.00 0.00 C ATOM 685 C CYS A 45 0.667 -3.561 -2.936 1.00 0.00 C ATOM 686 O CYS A 45 1.750 -2.992 -3.072 1.00 0.00 O ATOM 687 CB CYS A 45 1.415 -5.799 -3.766 1.00 0.00 C ATOM 688 SG CYS A 45 1.912 -6.282 -2.096 1.00 0.00 S ATOM 0 H CYS A 45 0.774 -4.606 -5.845 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.618 -5.200 -3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.090 -6.687 -4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.284 -5.405 -4.292 1.00 0.00 H new ATOM 0 HG CYS A 45 2.861 -7.168 -2.165 1.00 0.00 H new ATOM 694 N LEU A 46 -0.241 -3.185 -2.042 1.00 0.00 N ATOM 695 CA LEU A 46 -0.011 -2.055 -1.149 1.00 0.00 C ATOM 696 C LEU A 46 1.101 -2.366 -0.152 1.00 0.00 C ATOM 697 O LEU A 46 1.002 -3.313 0.629 1.00 0.00 O ATOM 698 CB LEU A 46 -1.298 -1.701 -0.400 1.00 0.00 C ATOM 699 CG LEU A 46 -1.448 -0.240 0.024 1.00 0.00 C ATOM 700 CD1 LEU A 46 -2.876 0.045 0.464 1.00 0.00 C ATOM 701 CD2 LEU A 46 -0.468 0.095 1.138 1.00 0.00 C ATOM 0 H LEU A 46 -1.142 -3.646 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 46 0.297 -1.202 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.146 -1.964 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.359 -2.325 0.491 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.222 0.392 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.963 1.090 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.558 -0.155 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.131 -0.596 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.589 1.139 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.663 -0.545 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.551 -0.069 0.788 1.00 0.00 H new ATOM 713 N LEU A 47 2.157 -1.561 -0.183 1.00 0.00 N ATOM 714 CA LEU A 47 3.288 -1.749 0.719 1.00 0.00 C ATOM 715 C LEU A 47 3.041 -1.053 2.054 1.00 0.00 C ATOM 716 O LEU A 47 3.039 -1.691 3.107 1.00 0.00 O ATOM 717 CB LEU A 47 4.570 -1.211 0.081 1.00 0.00 C ATOM 718 CG LEU A 47 4.894 -1.736 -1.318 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.925 -0.847 -1.996 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.391 -3.173 -1.247 1.00 0.00 C ATOM 0 H LEU A 47 2.254 -0.772 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 47 3.401 -2.818 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.500 -0.124 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.406 -1.447 0.739 1.00 0.00 H new ATOM 0 HG LEU A 47 3.981 -1.717 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.143 -1.236 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.532 0.166 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.840 -0.833 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.617 -3.530 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.292 -3.216 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.620 -3.803 -0.803 1.00 0.00 H new ATOM 732 N ASP A 48 2.831 0.258 2.002 1.00 0.00 N ATOM 733 CA ASP A 48 2.579 1.040 3.207 1.00 0.00 C ATOM 734 C ASP A 48 1.591 2.168 2.925 1.00 0.00 C ATOM 735 O ASP A 48 1.607 2.767 1.850 1.00 0.00 O ATOM 736 CB ASP A 48 3.888 1.616 3.750 1.00 0.00 C ATOM 737 CG ASP A 48 4.641 0.625 4.614 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.264 0.458 5.793 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.608 0.015 4.111 1.00 0.00 O ATOM 0 H ASP A 48 2.830 0.801 1.139 1.00 0.00 H new ATOM 0 HA ASP A 48 2.144 0.378 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.521 1.921 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.673 2.512 4.332 1.00 0.00 H new ATOM 744 N SER A 49 0.730 2.450 3.898 1.00 0.00 N ATOM 745 CA SER A 49 -0.269 3.502 3.753 1.00 0.00 C ATOM 746 C SER A 49 0.009 4.652 4.718 1.00 0.00 C ATOM 747 O SER A 49 -0.913 5.233 5.290 1.00 0.00 O ATOM 748 CB SER A 49 -1.671 2.941 4.001 1.00 0.00 C ATOM 749 OG SER A 49 -1.784 2.410 5.310 1.00 0.00 O ATOM 0 H SER A 49 0.704 1.965 4.795 1.00 0.00 H new ATOM 0 HA SER A 49 -0.213 3.884 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.411 3.728 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.889 2.163 3.270 1.00 0.00 H new ATOM 0 HG SER A 49 -2.689 2.060 5.444 1.00 0.00 H new ATOM 755 N SER A 50 1.286 4.973 4.893 1.00 0.00 N ATOM 756 CA SER A 50 1.688 6.050 5.791 1.00 0.00 C ATOM 757 C SER A 50 0.803 7.277 5.596 1.00 0.00 C ATOM 758 O SER A 50 0.168 7.753 6.537 1.00 0.00 O ATOM 759 CB SER A 50 3.153 6.420 5.554 1.00 0.00 C ATOM 760 OG SER A 50 3.742 6.947 6.730 1.00 0.00 O ATOM 0 H SER A 50 2.061 4.503 4.425 1.00 0.00 H new ATOM 0 HA SER A 50 1.572 5.699 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.706 5.539 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.221 7.152 4.750 1.00 0.00 H new ATOM 0 HG SER A 50 4.679 7.174 6.553 1.00 0.00 H new ATOM 766 N GLU A 51 0.767 7.784 4.368 1.00 0.00 N ATOM 767 CA GLU A 51 -0.039 8.957 4.050 1.00 0.00 C ATOM 768 C GLU A 51 -1.441 8.549 3.604 1.00 0.00 C ATOM 769 O GLU A 51 -1.783 7.366 3.602 1.00 0.00 O ATOM 770 CB GLU A 51 0.635 9.785 2.955 1.00 0.00 C ATOM 771 CG GLU A 51 1.751 10.680 3.468 1.00 0.00 C ATOM 772 CD GLU A 51 1.277 11.649 4.534 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.072 11.977 4.546 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.112 12.080 5.357 1.00 0.00 O ATOM 0 H GLU A 51 1.286 7.401 3.578 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.125 9.562 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.039 9.112 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.117 10.402 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.551 10.061 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.174 11.241 2.635 1.00 0.00 H new ATOM 781 N ILE A 52 -2.246 9.537 3.228 1.00 0.00 N ATOM 782 CA ILE A 52 -3.609 9.281 2.780 1.00 0.00 C ATOM 783 C ILE A 52 -3.743 9.496 1.276 1.00 0.00 C ATOM 784 O ILE A 52 -4.053 8.566 0.531 1.00 0.00 O ATOM 785 CB ILE A 52 -4.620 10.187 3.508 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.512 9.994 5.022 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.035 9.892 3.031 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.349 10.972 5.817 1.00 0.00 C ATOM 0 H ILE A 52 -1.978 10.521 3.225 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.829 8.240 3.017 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.388 11.226 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.818 8.978 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.468 10.096 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.738 10.540 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.103 10.074 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.279 8.850 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.224 10.776 6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.029 11.990 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.399 10.855 5.548 1.00 0.00 H new ATOM 800 N HIS A 53 -3.505 10.728 0.836 1.00 0.00 N ATOM 801 CA HIS A 53 -3.597 11.064 -0.580 1.00 0.00 C ATOM 802 C HIS A 53 -2.615 10.233 -1.401 1.00 0.00 C ATOM 803 O HIS A 53 -2.937 9.781 -2.500 1.00 0.00 O ATOM 804 CB HIS A 53 -3.322 12.553 -0.791 1.00 0.00 C ATOM 805 CG HIS A 53 -3.818 13.418 0.327 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.122 13.857 0.417 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.177 13.923 1.407 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.261 14.597 1.503 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.096 14.652 2.122 1.00 0.00 N ATOM 0 H HIS A 53 -3.247 11.509 1.439 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.609 10.837 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.249 12.703 -0.907 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.791 12.872 -1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.137 13.780 1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.173 15.076 1.829 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.909 15.154 2.990 1.00 0.00 H new ATOM 818 N TRP A 54 -1.419 10.035 -0.860 1.00 0.00 N ATOM 819 CA TRP A 54 -0.390 9.259 -1.543 1.00 0.00 C ATOM 820 C TRP A 54 -0.101 7.962 -0.795 1.00 0.00 C ATOM 821 O TRP A 54 0.205 7.977 0.397 1.00 0.00 O ATOM 822 CB TRP A 54 0.893 10.080 -1.678 1.00 0.00 C ATOM 823 CG TRP A 54 0.656 11.473 -2.178 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.768 12.631 -1.463 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.265 11.853 -3.502 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.470 13.708 -2.262 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.159 13.258 -3.518 1.00 0.00 C ATOM 828 CE3 TRP A 54 -0.004 11.145 -4.676 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.205 13.964 -4.662 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.365 11.847 -5.810 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.462 13.244 -5.797 1.00 0.00 C ATOM 0 H TRP A 54 -1.137 10.401 0.050 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.759 9.009 -2.538 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.388 10.129 -0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.574 9.568 -2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.050 12.691 -0.422 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.479 14.685 -1.968 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.069 10.068 -4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.282 15.041 -4.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.576 11.309 -6.722 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.745 13.763 -6.701 1.00 0.00 H new ATOM 842 N TRP A 55 -0.200 6.842 -1.502 1.00 0.00 N ATOM 843 CA TRP A 55 0.051 5.536 -0.904 1.00 0.00 C ATOM 844 C TRP A 55 1.212 4.833 -1.599 1.00 0.00 C ATOM 845 O TRP A 55 1.460 5.050 -2.785 1.00 0.00 O ATOM 846 CB TRP A 55 -1.206 4.667 -0.979 1.00 0.00 C ATOM 847 CG TRP A 55 -2.116 4.837 0.200 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.014 5.776 1.186 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.265 4.043 0.516 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.030 5.615 2.096 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.812 4.559 1.708 1.00 0.00 C ATOM 852 CE3 TRP A 55 -3.886 2.949 -0.091 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -4.948 4.016 2.301 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.014 2.411 0.499 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.536 2.945 1.684 1.00 0.00 C ATOM 0 H TRP A 55 -0.452 6.812 -2.490 1.00 0.00 H new ATOM 0 HA TRP A 55 0.317 5.688 0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.753 4.910 -1.890 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -0.912 3.620 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.247 6.534 1.242 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.178 6.189 2.926 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.492 2.531 -1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.351 4.425 3.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.501 1.564 0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.420 2.503 2.119 1.00 0.00 H new ATOM 866 N ARG A 56 1.919 3.989 -0.854 1.00 0.00 N ATOM 867 CA ARG A 56 3.055 3.256 -1.400 1.00 0.00 C ATOM 868 C ARG A 56 2.637 1.854 -1.836 1.00 0.00 C ATOM 869 O ARG A 56 2.343 0.995 -1.005 1.00 0.00 O ATOM 870 CB ARG A 56 4.177 3.166 -0.364 1.00 0.00 C ATOM 871 CG ARG A 56 5.548 2.922 -0.972 1.00 0.00 C ATOM 872 CD ARG A 56 6.650 3.055 0.068 1.00 0.00 C ATOM 873 NE ARG A 56 7.978 2.887 -0.516 1.00 0.00 N ATOM 874 CZ ARG A 56 9.090 2.788 0.203 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.034 2.838 1.527 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.261 2.636 -0.402 1.00 0.00 N ATOM 0 H ARG A 56 1.725 3.796 0.129 1.00 0.00 H new ATOM 0 HA ARG A 56 3.419 3.797 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.204 4.091 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.951 2.361 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.580 1.925 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.721 3.633 -1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.584 4.034 0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.501 2.311 0.850 1.00 0.00 H new ATOM 0 HE ARG A 56 8.056 2.843 -1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.135 2.953 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.890 2.762 2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.308 2.595 -1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.115 2.560 0.151 1.00 0.00 H new ATOM 890 N VAL A 57 2.613 1.630 -3.147 1.00 0.00 N ATOM 891 CA VAL A 57 2.233 0.334 -3.694 1.00 0.00 C ATOM 892 C VAL A 57 3.300 -0.196 -4.645 1.00 0.00 C ATOM 893 O VAL A 57 4.278 0.490 -4.939 1.00 0.00 O ATOM 894 CB VAL A 57 0.888 0.413 -4.441 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.184 1.022 -3.550 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.040 1.211 -5.727 1.00 0.00 C ATOM 0 H VAL A 57 2.852 2.330 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 57 2.132 -0.348 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 57 0.577 -0.599 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.127 1.069 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.310 0.406 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.116 2.028 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.081 1.257 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.374 2.221 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.775 0.727 -6.371 1.00 0.00 H new ATOM 906 N GLN A 58 3.104 -1.421 -5.121 1.00 0.00 N ATOM 907 CA GLN A 58 4.051 -2.044 -6.039 1.00 0.00 C ATOM 908 C GLN A 58 3.321 -2.823 -7.129 1.00 0.00 C ATOM 909 O GLN A 58 2.449 -3.643 -6.841 1.00 0.00 O ATOM 910 CB GLN A 58 4.996 -2.974 -5.277 1.00 0.00 C ATOM 911 CG GLN A 58 6.177 -3.454 -6.106 1.00 0.00 C ATOM 912 CD GLN A 58 7.208 -4.196 -5.279 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.869 -5.080 -4.492 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.475 -3.840 -5.454 1.00 0.00 N ATOM 0 H GLN A 58 2.299 -2.002 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 58 4.634 -1.253 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.369 -2.455 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.435 -3.839 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.816 -4.107 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.650 -2.598 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.710 -3.102 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.213 -4.305 -4.925 1.00 0.00 H new ATOM 923 N ASP A 59 3.682 -2.560 -8.380 1.00 0.00 N ATOM 924 CA ASP A 59 3.062 -3.237 -9.513 1.00 0.00 C ATOM 925 C ASP A 59 3.459 -4.710 -9.550 1.00 0.00 C ATOM 926 O ASP A 59 4.409 -5.123 -8.884 1.00 0.00 O ATOM 927 CB ASP A 59 3.462 -2.556 -10.822 1.00 0.00 C ATOM 928 CG ASP A 59 2.612 -3.008 -11.993 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.470 -3.454 -11.759 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.089 -2.916 -13.144 1.00 0.00 O ATOM 0 H ASP A 59 4.401 -1.883 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 59 1.980 -3.174 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.373 -1.476 -10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.510 -2.769 -11.034 1.00 0.00 H new ATOM 935 N ARG A 60 2.725 -5.496 -10.330 1.00 0.00 N ATOM 936 CA ARG A 60 2.999 -6.923 -10.452 1.00 0.00 C ATOM 937 C ARG A 60 4.329 -7.162 -11.161 1.00 0.00 C ATOM 938 O ARG A 60 4.817 -8.290 -11.221 1.00 0.00 O ATOM 939 CB ARG A 60 1.869 -7.617 -11.214 1.00 0.00 C ATOM 940 CG ARG A 60 1.766 -7.193 -12.670 1.00 0.00 C ATOM 941 CD ARG A 60 0.477 -7.691 -13.305 1.00 0.00 C ATOM 942 NE ARG A 60 0.635 -9.016 -13.898 1.00 0.00 N ATOM 943 CZ ARG A 60 0.536 -10.146 -13.207 1.00 0.00 C ATOM 944 NH1 ARG A 60 0.280 -10.113 -11.907 1.00 0.00 N ATOM 945 NH2 ARG A 60 0.693 -11.314 -13.818 1.00 0.00 N ATOM 0 H ARG A 60 1.936 -5.169 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 60 3.062 -7.343 -9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.020 -8.695 -11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.923 -7.406 -10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.810 -6.106 -12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.620 -7.582 -13.225 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.310 -7.723 -12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.155 -6.987 -14.072 1.00 0.00 H new ATOM 0 HE ARG A 60 0.832 -9.077 -14.897 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.158 -9.218 -11.434 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.205 -10.983 -11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.890 -11.344 -14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.617 -12.182 -13.287 1.00 0.00 H new ATOM 959 N ASN A 61 4.908 -6.094 -11.698 1.00 0.00 N ATOM 960 CA ASN A 61 6.181 -6.188 -12.404 1.00 0.00 C ATOM 961 C ASN A 61 7.348 -5.902 -11.464 1.00 0.00 C ATOM 962 O ASN A 61 8.337 -6.633 -11.446 1.00 0.00 O ATOM 963 CB ASN A 61 6.208 -5.210 -13.581 1.00 0.00 C ATOM 964 CG ASN A 61 5.211 -5.579 -14.662 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.117 -5.018 -14.730 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.585 -6.526 -15.514 1.00 0.00 N ATOM 0 H ASN A 61 4.516 -5.153 -11.658 1.00 0.00 H new ATOM 0 HA ASN A 61 6.284 -7.205 -12.782 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.992 -4.205 -13.219 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.211 -5.187 -14.008 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.956 -6.816 -16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.501 -6.964 -15.420 1.00 0.00 H new ATOM 973 N GLY A 62 7.224 -4.833 -10.683 1.00 0.00 N ATOM 974 CA GLY A 62 8.275 -4.470 -9.751 1.00 0.00 C ATOM 975 C GLY A 62 8.499 -2.972 -9.685 1.00 0.00 C ATOM 976 O GLY A 62 9.623 -2.514 -9.477 1.00 0.00 O ATOM 0 H GLY A 62 6.415 -4.212 -10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.020 -4.840 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.203 -4.960 -10.045 1.00 0.00 H new ATOM 980 N HIS A 63 7.428 -2.206 -9.865 1.00 0.00 N ATOM 981 CA HIS A 63 7.513 -0.750 -9.827 1.00 0.00 C ATOM 982 C HIS A 63 6.621 -0.183 -8.727 1.00 0.00 C ATOM 983 O HIS A 63 5.412 -0.409 -8.718 1.00 0.00 O ATOM 984 CB HIS A 63 7.115 -0.159 -11.179 1.00 0.00 C ATOM 985 CG HIS A 63 7.538 -0.996 -12.347 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.852 -1.022 -13.543 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.586 -1.839 -12.498 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.458 -1.846 -14.378 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.514 -2.354 -13.769 1.00 0.00 N ATOM 0 H HIS A 63 6.491 -2.569 -10.039 1.00 0.00 H new ATOM 0 HA HIS A 63 8.546 -0.476 -9.610 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.033 -0.032 -11.206 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.555 0.834 -11.276 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.339 -2.065 -11.757 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.144 -2.067 -15.387 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.170 -3.021 -14.177 1.00 0.00 H new ATOM 998 N GLU A 64 7.227 0.555 -7.802 1.00 0.00 N ATOM 999 CA GLU A 64 6.487 1.153 -6.697 1.00 0.00 C ATOM 1000 C GLU A 64 6.726 2.659 -6.633 1.00 0.00 C ATOM 1001 O GLU A 64 7.710 3.165 -7.172 1.00 0.00 O ATOM 1002 CB GLU A 64 6.892 0.504 -5.372 1.00 0.00 C ATOM 1003 CG GLU A 64 8.383 0.239 -5.255 1.00 0.00 C ATOM 1004 CD GLU A 64 9.209 1.508 -5.331 1.00 0.00 C ATOM 1005 OE1 GLU A 64 9.037 2.382 -4.455 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.028 1.627 -6.266 1.00 0.00 O ATOM 0 H GLU A 64 8.228 0.753 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 64 5.425 0.979 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.581 1.150 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.354 -0.437 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.585 -0.266 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.691 -0.439 -6.051 1.00 0.00 H new ATOM 1013 N GLY A 65 5.818 3.369 -5.971 1.00 0.00 N ATOM 1014 CA GLY A 65 5.948 4.809 -5.849 1.00 0.00 C ATOM 1015 C GLY A 65 4.758 5.442 -5.156 1.00 0.00 C ATOM 1016 O GLY A 65 3.968 4.753 -4.510 1.00 0.00 O ATOM 0 H GLY A 65 4.995 2.973 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.855 5.043 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.061 5.246 -6.841 1.00 0.00 H new ATOM 1020 N TYR A 66 4.629 6.757 -5.288 1.00 0.00 N ATOM 1021 CA TYR A 66 3.528 7.484 -4.666 1.00 0.00 C ATOM 1022 C TYR A 66 2.397 7.717 -5.663 1.00 0.00 C ATOM 1023 O TYR A 66 2.536 8.494 -6.608 1.00 0.00 O ATOM 1024 CB TYR A 66 4.021 8.823 -4.115 1.00 0.00 C ATOM 1025 CG TYR A 66 4.978 8.684 -2.953 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.673 7.869 -1.870 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.188 9.368 -2.938 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.545 7.739 -0.806 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.066 9.243 -1.879 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.740 8.427 -0.815 1.00 0.00 C ATOM 1031 OH TYR A 66 7.612 8.301 0.242 1.00 0.00 O ATOM 0 H TYR A 66 5.273 7.342 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 66 3.145 6.879 -3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.512 9.377 -4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.162 9.415 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.738 7.328 -1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.446 10.008 -3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.292 7.102 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.002 9.781 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 66 8.407 8.851 0.078 1.00 0.00 H new ATOM 1041 N VAL A 67 1.275 7.039 -5.444 1.00 0.00 N ATOM 1042 CA VAL A 67 0.118 7.172 -6.321 1.00 0.00 C ATOM 1043 C VAL A 67 -1.087 7.715 -5.562 1.00 0.00 C ATOM 1044 O VAL A 67 -1.220 7.540 -4.350 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.259 5.823 -6.962 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.620 5.542 -8.171 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.151 4.700 -5.941 1.00 0.00 C ATOM 0 H VAL A 67 1.143 6.392 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 67 0.396 7.874 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.294 5.877 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.339 4.585 -8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.487 6.333 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.664 5.506 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.421 3.754 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.872 4.642 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.827 4.898 -5.109 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.989 8.391 -6.289 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.201 8.974 -5.704 1.00 0.00 C ATOM 1059 C PRO A 68 -4.204 7.911 -5.269 1.00 0.00 C ATOM 1060 O PRO A 68 -4.844 7.270 -6.103 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.776 9.816 -6.846 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.256 9.177 -8.087 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.896 8.639 -7.737 1.00 0.00 C ATOM 0 HA PRO A 68 -2.984 9.546 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.866 9.816 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.456 10.855 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.918 8.378 -8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.192 9.899 -8.901 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.672 7.725 -8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.108 9.355 -7.972 1.00 0.00 H new ATOM 1071 N SER A 69 -4.335 7.728 -3.959 1.00 0.00 N ATOM 1072 CA SER A 69 -5.258 6.740 -3.414 1.00 0.00 C ATOM 1073 C SER A 69 -6.593 6.778 -4.152 1.00 0.00 C ATOM 1074 O SER A 69 -7.236 5.746 -4.348 1.00 0.00 O ATOM 1075 CB SER A 69 -5.481 6.988 -1.921 1.00 0.00 C ATOM 1076 OG SER A 69 -6.455 7.996 -1.711 1.00 0.00 O ATOM 0 H SER A 69 -3.814 8.251 -3.256 1.00 0.00 H new ATOM 0 HA SER A 69 -4.816 5.753 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.800 6.064 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.541 7.283 -1.454 1.00 0.00 H new ATOM 0 HG SER A 69 -6.580 8.135 -0.749 1.00 0.00 H new ATOM 1082 N SER A 70 -7.003 7.974 -4.559 1.00 0.00 N ATOM 1083 CA SER A 70 -8.263 8.149 -5.272 1.00 0.00 C ATOM 1084 C SER A 70 -8.426 7.087 -6.355 1.00 0.00 C ATOM 1085 O SER A 70 -9.509 6.530 -6.537 1.00 0.00 O ATOM 1086 CB SER A 70 -8.331 9.544 -5.896 1.00 0.00 C ATOM 1087 OG SER A 70 -8.175 10.551 -4.912 1.00 0.00 O ATOM 0 H SER A 70 -6.481 8.837 -4.407 1.00 0.00 H new ATOM 0 HA SER A 70 -9.076 8.040 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.552 9.646 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.287 9.672 -6.404 1.00 0.00 H new ATOM 0 HG SER A 70 -8.221 11.433 -5.337 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.342 6.811 -7.072 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.364 5.818 -8.140 1.00 0.00 C ATOM 1095 C TYR A 71 -7.401 4.404 -7.567 1.00 0.00 C ATOM 1096 O TYR A 71 -8.141 3.546 -8.049 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.140 5.983 -9.043 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.231 7.169 -9.975 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.526 8.438 -9.490 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -6.023 7.023 -11.341 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.611 9.525 -10.338 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -6.105 8.105 -12.196 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.399 9.353 -11.690 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.482 10.433 -12.539 1.00 0.00 O ATOM 0 H TYR A 71 -6.437 7.261 -6.933 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.267 5.975 -8.731 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.251 6.088 -8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.010 5.076 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.692 8.576 -8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.793 6.047 -11.741 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.842 10.504 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.940 7.974 -13.255 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.305 10.141 -13.458 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.597 4.170 -6.536 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.537 2.860 -5.895 1.00 0.00 C ATOM 1116 C LEU A 72 -7.840 2.551 -5.165 1.00 0.00 C ATOM 1117 O LEU A 72 -8.464 3.439 -4.583 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.364 2.804 -4.915 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.973 2.989 -5.522 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.929 3.141 -4.427 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.628 1.819 -6.432 1.00 0.00 C ATOM 0 H LEU A 72 -5.978 4.869 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.390 2.109 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.513 3.573 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.390 1.842 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.977 3.900 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.945 3.272 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.167 4.012 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.926 2.249 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.635 1.968 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.642 0.894 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.360 1.756 -7.237 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.245 1.285 -5.197 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.472 0.858 -4.536 1.00 0.00 C ATOM 1135 C VAL A 73 -9.283 -0.487 -3.843 1.00 0.00 C ATOM 1136 O VAL A 73 -8.623 -1.381 -4.372 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.639 0.749 -5.535 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.626 1.923 -6.502 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.575 -0.572 -6.286 1.00 0.00 C ATOM 0 H VAL A 73 -7.741 0.537 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.711 1.617 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.575 0.779 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.458 1.829 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.724 2.855 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.687 1.928 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.407 -0.632 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.634 -0.635 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.638 -1.397 -5.577 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.867 -0.623 -2.657 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.762 -1.860 -1.892 1.00 0.00 C ATOM 1151 C GLU A 74 -10.644 -2.950 -2.495 1.00 0.00 C ATOM 1152 O GLU A 74 -11.872 -2.874 -2.436 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.156 -1.619 -0.433 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.485 -2.570 0.544 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.331 -2.834 1.774 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.437 -1.927 2.626 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.886 -3.947 1.886 1.00 0.00 O ATOM 0 H GLU A 74 -10.417 0.107 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.725 -2.193 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.902 -0.594 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.237 -1.716 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.277 -3.514 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.525 -2.153 0.850 1.00 0.00 H new ATOM 1164 N LYS A 75 -10.010 -3.962 -3.076 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.735 -5.068 -3.690 1.00 0.00 C ATOM 1166 C LYS A 75 -11.602 -5.788 -2.662 1.00 0.00 C ATOM 1167 O LYS A 75 -11.090 -6.461 -1.767 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.755 -6.056 -4.327 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.380 -6.921 -5.408 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.362 -7.315 -6.465 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.822 -8.529 -7.257 1.00 0.00 C ATOM 1172 NZ LYS A 75 -10.619 -8.142 -8.454 1.00 0.00 N ATOM 0 H LYS A 75 -8.995 -4.039 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.384 -4.659 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.920 -5.502 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.345 -6.701 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.804 -7.818 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.202 -6.381 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.198 -6.478 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.406 -7.531 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.953 -9.108 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.421 -9.175 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.274 -8.912 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.161 -7.279 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.979 -7.965 -9.255 1.00 0.00 H new ATOM 1186 N SER A 76 -12.916 -5.643 -2.797 1.00 0.00 N ATOM 1187 CA SER A 76 -13.853 -6.278 -1.878 1.00 0.00 C ATOM 1188 C SER A 76 -14.202 -7.687 -2.345 1.00 0.00 C ATOM 1189 O SER A 76 -14.297 -7.967 -3.540 1.00 0.00 O ATOM 1190 CB SER A 76 -15.127 -5.439 -1.755 1.00 0.00 C ATOM 1191 OG SER A 76 -15.913 -5.530 -2.931 1.00 0.00 O ATOM 0 H SER A 76 -13.356 -5.092 -3.534 1.00 0.00 H new ATOM 0 HA SER A 76 -13.375 -6.346 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.709 -5.779 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.864 -4.398 -1.569 1.00 0.00 H new ATOM 0 HG SER A 76 -16.722 -4.987 -2.827 1.00 0.00 H new ATOM 1197 N PRO A 77 -14.398 -8.598 -1.380 1.00 0.00 N ATOM 1198 CA PRO A 77 -14.740 -9.995 -1.668 1.00 0.00 C ATOM 1199 C PRO A 77 -16.150 -10.142 -2.229 1.00 0.00 C ATOM 1200 O PRO A 77 -16.611 -11.253 -2.491 1.00 0.00 O ATOM 1201 CB PRO A 77 -14.636 -10.674 -0.300 1.00 0.00 C ATOM 1202 CG PRO A 77 -14.872 -9.581 0.685 1.00 0.00 C ATOM 1203 CD PRO A 77 -14.302 -8.335 0.065 1.00 0.00 C ATOM 0 HA PRO A 77 -14.086 -10.427 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -15.375 -11.468 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.656 -11.130 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -15.936 -9.463 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -14.387 -9.801 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.869 -7.449 0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.271 -8.168 0.375 1.00 0.00 H new ATOM 1211 N ASN A 78 -16.830 -9.015 -2.413 1.00 0.00 N ATOM 1212 CA ASN A 78 -18.189 -9.020 -2.944 1.00 0.00 C ATOM 1213 C ASN A 78 -18.216 -9.583 -4.362 1.00 0.00 C ATOM 1214 O ASN A 78 -18.351 -8.840 -5.333 1.00 0.00 O ATOM 1215 CB ASN A 78 -18.767 -7.604 -2.934 1.00 0.00 C ATOM 1216 CG ASN A 78 -19.170 -7.153 -1.543 1.00 0.00 C ATOM 1217 OD1 ASN A 78 -18.753 -6.093 -1.077 1.00 0.00 O ATOM 1218 ND2 ASN A 78 -19.986 -7.960 -0.874 1.00 0.00 N ATOM 0 H ASN A 78 -16.463 -8.087 -2.202 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.800 -9.659 -2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -18.029 -6.911 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.635 -7.564 -3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -20.292 -7.710 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.306 -8.829 -1.301 1.00 0.00 H new ATOM 1225 N ASN A 79 -18.088 -10.901 -4.471 1.00 0.00 N ATOM 1226 CA ASN A 79 -18.099 -11.565 -5.770 1.00 0.00 C ATOM 1227 C ASN A 79 -17.428 -10.696 -6.830 1.00 0.00 C ATOM 1228 O ASN A 79 -17.947 -10.533 -7.935 1.00 0.00 O ATOM 1229 CB ASN A 79 -19.534 -11.885 -6.191 1.00 0.00 C ATOM 1230 CG ASN A 79 -20.389 -10.639 -6.324 1.00 0.00 C ATOM 1231 OD1 ASN A 79 -20.564 -10.106 -7.419 1.00 0.00 O ATOM 1232 ND2 ASN A 79 -20.927 -10.169 -5.204 1.00 0.00 N ATOM 0 H ASN A 79 -17.975 -11.530 -3.676 1.00 0.00 H new ATOM 0 HA ASN A 79 -17.539 -12.495 -5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -19.521 -12.416 -7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -19.984 -12.555 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -21.512 -9.334 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -20.755 -10.643 -4.317 1.00 0.00 H new ATOM 1239 N LEU A 80 -16.270 -10.142 -6.486 1.00 0.00 N ATOM 1240 CA LEU A 80 -15.527 -9.290 -7.408 1.00 0.00 C ATOM 1241 C LEU A 80 -15.072 -10.079 -8.632 1.00 0.00 C ATOM 1242 O LEU A 80 -14.118 -10.853 -8.563 1.00 0.00 O ATOM 1243 CB LEU A 80 -14.316 -8.677 -6.703 1.00 0.00 C ATOM 1244 CG LEU A 80 -13.820 -7.342 -7.258 1.00 0.00 C ATOM 1245 CD1 LEU A 80 -13.657 -7.419 -8.768 1.00 0.00 C ATOM 1246 CD2 LEU A 80 -14.776 -6.219 -6.880 1.00 0.00 C ATOM 0 H LEU A 80 -15.826 -10.267 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 80 -16.190 -8.491 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.565 -8.540 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.495 -9.393 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.846 -7.127 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.303 -6.459 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.934 -8.196 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.617 -7.657 -9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.407 -5.276 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.764 -6.428 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.843 -6.148 -5.794 1.00 0.00 H new ATOM 1258 N GLU A 81 -15.760 -9.874 -9.751 1.00 0.00 N ATOM 1259 CA GLU A 81 -15.424 -10.566 -10.990 1.00 0.00 C ATOM 1260 C GLU A 81 -15.026 -9.572 -12.077 1.00 0.00 C ATOM 1261 O GLU A 81 -15.873 -9.072 -12.819 1.00 0.00 O ATOM 1262 CB GLU A 81 -16.608 -11.410 -11.465 1.00 0.00 C ATOM 1263 CG GLU A 81 -16.765 -12.719 -10.708 1.00 0.00 C ATOM 1264 CD GLU A 81 -15.441 -13.421 -10.478 1.00 0.00 C ATOM 1265 OE1 GLU A 81 -14.781 -13.783 -11.474 1.00 0.00 O ATOM 1266 OE2 GLU A 81 -15.066 -13.609 -9.302 1.00 0.00 O ATOM 0 H GLU A 81 -16.552 -9.236 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.576 -11.221 -10.792 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.524 -10.828 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -16.487 -11.626 -12.526 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -17.241 -12.524 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -17.430 -13.379 -11.265 1.00 0.00 H new ATOM 1273 N THR A 82 -13.730 -9.288 -12.166 1.00 0.00 N ATOM 1274 CA THR A 82 -13.218 -8.353 -13.160 1.00 0.00 C ATOM 1275 C THR A 82 -12.288 -9.052 -14.144 1.00 0.00 C ATOM 1276 O THR A 82 -11.915 -10.209 -13.947 1.00 0.00 O ATOM 1277 CB THR A 82 -12.463 -7.186 -12.497 1.00 0.00 C ATOM 1278 OG1 THR A 82 -12.230 -6.147 -13.454 1.00 0.00 O ATOM 1279 CG2 THR A 82 -11.137 -7.658 -11.920 1.00 0.00 C ATOM 0 H THR A 82 -13.016 -9.693 -11.561 1.00 0.00 H new ATOM 0 HA THR A 82 -14.081 -7.959 -13.697 1.00 0.00 H new ATOM 0 HB THR A 82 -13.078 -6.799 -11.684 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.751 -5.408 -13.024 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.622 -6.817 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.320 -8.428 -11.171 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.518 -8.068 -12.718 1.00 0.00 H new ATOM 1287 N TYR A 83 -11.915 -8.343 -15.204 1.00 0.00 N ATOM 1288 CA TYR A 83 -11.028 -8.897 -16.220 1.00 0.00 C ATOM 1289 C TYR A 83 -9.611 -9.056 -15.679 1.00 0.00 C ATOM 1290 O TYR A 83 -8.908 -8.071 -15.451 1.00 0.00 O ATOM 1291 CB TYR A 83 -11.015 -8.000 -17.459 1.00 0.00 C ATOM 1292 CG TYR A 83 -12.287 -8.074 -18.274 1.00 0.00 C ATOM 1293 CD1 TYR A 83 -12.692 -9.268 -18.858 1.00 0.00 C ATOM 1294 CD2 TYR A 83 -13.083 -6.951 -18.460 1.00 0.00 C ATOM 1295 CE1 TYR A 83 -13.853 -9.341 -19.603 1.00 0.00 C ATOM 1296 CE2 TYR A 83 -14.246 -7.015 -19.203 1.00 0.00 C ATOM 1297 CZ TYR A 83 -14.627 -8.212 -19.773 1.00 0.00 C ATOM 1298 OH TYR A 83 -15.784 -8.279 -20.515 1.00 0.00 O ATOM 0 H TYR A 83 -12.213 -7.384 -15.382 1.00 0.00 H new ATOM 0 HA TYR A 83 -11.404 -9.882 -16.496 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.852 -6.968 -17.148 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.172 -8.280 -18.091 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.089 -10.154 -18.727 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -12.788 -6.012 -18.016 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.153 -10.277 -20.050 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -14.854 -6.132 -19.337 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.211 -7.397 -20.535 1.00 0.00 H new ATOM 1308 N GLU A 84 -9.198 -10.303 -15.476 1.00 0.00 N ATOM 1309 CA GLU A 84 -7.864 -10.591 -14.961 1.00 0.00 C ATOM 1310 C GLU A 84 -6.826 -10.535 -16.078 1.00 0.00 C ATOM 1311 O GLU A 84 -6.508 -11.551 -16.695 1.00 0.00 O ATOM 1312 CB GLU A 84 -7.838 -11.968 -14.294 1.00 0.00 C ATOM 1313 CG GLU A 84 -8.214 -11.939 -12.822 1.00 0.00 C ATOM 1314 CD GLU A 84 -8.064 -13.292 -12.154 1.00 0.00 C ATOM 1315 OE1 GLU A 84 -6.912 -13.734 -11.962 1.00 0.00 O ATOM 1316 OE2 GLU A 84 -9.099 -13.908 -11.824 1.00 0.00 O ATOM 0 H GLU A 84 -9.767 -11.129 -15.660 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.616 -9.831 -14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.523 -12.631 -14.822 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.840 -12.393 -14.397 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.588 -11.212 -12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.245 -11.601 -12.721 1.00 0.00 H new ATOM 1323 N TRP A 85 -6.303 -9.341 -16.332 1.00 0.00 N ATOM 1324 CA TRP A 85 -5.302 -9.151 -17.375 1.00 0.00 C ATOM 1325 C TRP A 85 -3.898 -9.401 -16.833 1.00 0.00 C ATOM 1326 O TRP A 85 -2.904 -9.061 -17.476 1.00 0.00 O ATOM 1327 CB TRP A 85 -5.396 -7.737 -17.950 1.00 0.00 C ATOM 1328 CG TRP A 85 -6.358 -7.624 -19.093 1.00 0.00 C ATOM 1329 CD1 TRP A 85 -7.630 -8.120 -19.147 1.00 0.00 C ATOM 1330 CD2 TRP A 85 -6.126 -6.975 -20.348 1.00 0.00 C ATOM 1331 NE1 TRP A 85 -8.201 -7.819 -20.359 1.00 0.00 N ATOM 1332 CE2 TRP A 85 -7.300 -7.116 -21.114 1.00 0.00 C ATOM 1333 CE3 TRP A 85 -5.041 -6.287 -20.899 1.00 0.00 C ATOM 1334 CZ2 TRP A 85 -7.416 -6.595 -22.400 1.00 0.00 C ATOM 1335 CZ3 TRP A 85 -5.158 -5.771 -22.175 1.00 0.00 C ATOM 1336 CH2 TRP A 85 -6.339 -5.926 -22.914 1.00 0.00 C ATOM 0 H TRP A 85 -6.556 -8.490 -15.830 1.00 0.00 H new ATOM 0 HA TRP A 85 -5.499 -9.871 -18.169 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -5.700 -7.050 -17.160 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -4.407 -7.422 -18.284 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.115 -8.668 -18.353 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -9.144 -8.077 -20.650 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -4.127 -6.161 -20.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -8.324 -6.715 -22.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.325 -5.239 -22.611 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -6.400 -5.509 -23.908 1.00 0.00 H new TER 1347 TRP A 85