USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 111 ASN : amide:sc= -0.259 K(o=0.58,f=1.1) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.835 K(o=0.58,f=-0.6) USER MOD Set 2.1: A 44 MET CE :methyl -119:sc= 0 (180deg=-0.755) USER MOD Set 2.2: A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.108) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -29:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.01) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 82:sc= 0.598 USER MOD Single : A 23 ASN : amide:sc= -0.329 K(o=-0.33,f=-0.93) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc=-0.000684 (180deg=-0.0861) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.074 (180deg=-0.362) USER MOD Single : A 42 THR OG1 : rot 97:sc= 1.21 USER MOD Single : A 43 THR OG1 : rot 151:sc= 0.126 USER MOD Single : A 46 TYR OH : rot -12:sc= 0.577 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.531 K(o=-0.53,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 1.32 (180deg=1.13) USER MOD Single : A 54 MET CE :methyl 169:sc= -1.37 (180deg=-1.45) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.04 K(o=1,f=-1.7!) USER MOD Single : A 70 HIS : no HD1:sc= -1.24 K(o=-1.2,f=0.38) USER MOD Single : A 71 GLN : amide:sc= -1.69! C(o=-1.7!,f=-8!) USER MOD Single : A 74 HIS : no HE2:sc= -0.382 X(o=-0.38,f=-0.18) USER MOD Single : A 83 THR OG1 : rot 79:sc= 0.175 USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.2) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= -1.77! (180deg=-3.37!) USER MOD Single : A 92 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.56) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.588 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.921 K(o=-0.92,f=-12!) USER MOD Single : A 106 LYS NZ :NH3+ -162:sc= -0.0792 (180deg=-0.349) USER MOD Single : A 109 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.7!) USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.101 (180deg=-0.504) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -110:sc= -0.11 USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= -0.0609 (180deg=-0.32) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.832 14.707 -14.426 1.00 0.00 N ATOM 2 CA MET A 1 17.127 13.289 -14.118 1.00 0.00 C ATOM 3 C MET A 1 17.004 13.035 -12.622 1.00 0.00 C ATOM 4 O MET A 1 18.003 12.861 -11.925 1.00 0.00 O ATOM 5 CB MET A 1 18.538 12.920 -14.591 1.00 0.00 C ATOM 6 CG MET A 1 18.736 13.036 -16.094 1.00 0.00 C ATOM 7 SD MET A 1 20.387 12.534 -16.614 1.00 0.00 S ATOM 8 CE MET A 1 20.253 12.706 -18.391 1.00 0.00 C ATOM 0 H1 MET A 1 16.786 14.836 -15.457 1.00 0.00 H new ATOM 0 H2 MET A 1 15.919 14.972 -14.003 1.00 0.00 H new ATOM 0 H3 MET A 1 17.583 15.311 -14.034 1.00 0.00 H new ATOM 0 HA MET A 1 16.403 12.667 -14.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.259 13.565 -14.089 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.757 11.897 -14.284 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.995 12.420 -16.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.559 14.067 -16.402 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.200 12.430 -18.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.463 12.053 -18.761 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.015 13.740 -18.639 1.00 0.00 H new ATOM 20 N GLU A 2 15.771 13.024 -12.131 1.00 0.00 N ATOM 21 CA GLU A 2 15.510 12.813 -10.718 1.00 0.00 C ATOM 22 C GLU A 2 14.326 11.880 -10.525 1.00 0.00 C ATOM 23 O GLU A 2 13.223 12.152 -11.011 1.00 0.00 O ATOM 24 CB GLU A 2 15.216 14.136 -10.014 1.00 0.00 C ATOM 25 CG GLU A 2 16.317 15.172 -10.120 1.00 0.00 C ATOM 26 CD GLU A 2 15.969 16.440 -9.374 1.00 0.00 C ATOM 27 OE1 GLU A 2 16.431 16.606 -8.225 1.00 0.00 O ATOM 28 OE2 GLU A 2 15.216 17.270 -9.923 1.00 0.00 O ATOM 0 H GLU A 2 14.933 13.160 -12.697 1.00 0.00 H new ATOM 0 HA GLU A 2 16.403 12.364 -10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.300 14.556 -10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.026 13.936 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.244 14.759 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.497 15.405 -11.169 1.00 0.00 H new ATOM 35 N PHE A 3 14.559 10.788 -9.818 1.00 0.00 N ATOM 36 CA PHE A 3 13.493 9.860 -9.480 1.00 0.00 C ATOM 37 C PHE A 3 12.494 10.547 -8.563 1.00 0.00 C ATOM 38 O PHE A 3 12.852 11.037 -7.493 1.00 0.00 O ATOM 39 CB PHE A 3 14.068 8.605 -8.816 1.00 0.00 C ATOM 40 CG PHE A 3 13.029 7.617 -8.370 1.00 0.00 C ATOM 41 CD1 PHE A 3 12.417 6.777 -9.284 1.00 0.00 C ATOM 42 CD2 PHE A 3 12.670 7.526 -7.036 1.00 0.00 C ATOM 43 CE1 PHE A 3 11.463 5.864 -8.877 1.00 0.00 C ATOM 44 CE2 PHE A 3 11.716 6.617 -6.620 1.00 0.00 C ATOM 45 CZ PHE A 3 11.111 5.784 -7.543 1.00 0.00 C ATOM 0 H PHE A 3 15.479 10.522 -9.466 1.00 0.00 H new ATOM 0 HA PHE A 3 12.981 9.552 -10.392 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.744 8.114 -9.516 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.664 8.904 -7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.688 6.836 -10.328 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.141 8.174 -6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.993 5.214 -9.600 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.444 6.557 -5.577 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.365 5.072 -7.222 1.00 0.00 H new ATOM 55 N THR A 4 11.250 10.596 -8.996 1.00 0.00 N ATOM 56 CA THR A 4 10.220 11.295 -8.253 1.00 0.00 C ATOM 57 C THR A 4 9.410 10.323 -7.411 1.00 0.00 C ATOM 58 O THR A 4 8.827 9.364 -7.923 1.00 0.00 O ATOM 59 CB THR A 4 9.274 12.063 -9.194 1.00 0.00 C ATOM 60 OG1 THR A 4 9.879 12.210 -10.489 1.00 0.00 O ATOM 61 CG2 THR A 4 8.967 13.435 -8.625 1.00 0.00 C ATOM 0 H THR A 4 10.927 10.160 -9.860 1.00 0.00 H new ATOM 0 HA THR A 4 10.721 12.009 -7.600 1.00 0.00 H new ATOM 0 HB THR A 4 8.347 11.498 -9.289 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.270 12.698 -11.081 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.297 13.967 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.490 13.327 -7.651 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.893 13.999 -8.514 1.00 0.00 H new ATOM 69 N VAL A 5 9.405 10.567 -6.112 1.00 0.00 N ATOM 70 CA VAL A 5 8.637 9.759 -5.181 1.00 0.00 C ATOM 71 C VAL A 5 7.308 10.452 -4.895 1.00 0.00 C ATOM 72 O VAL A 5 7.168 11.660 -5.096 1.00 0.00 O ATOM 73 CB VAL A 5 9.404 9.501 -3.850 1.00 0.00 C ATOM 74 CG1 VAL A 5 10.905 9.473 -4.087 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.042 10.510 -2.774 1.00 0.00 C ATOM 0 H VAL A 5 9.929 11.325 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 5 8.464 8.787 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 5 9.094 8.522 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.419 9.291 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.147 8.677 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.227 10.430 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.602 10.289 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.290 11.514 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.974 10.452 -2.565 1.00 0.00 H new ATOM 85 N SER A 6 6.339 9.683 -4.446 1.00 0.00 N ATOM 86 CA SER A 6 5.008 10.203 -4.188 1.00 0.00 C ATOM 87 C SER A 6 4.893 10.653 -2.736 1.00 0.00 C ATOM 88 O SER A 6 4.628 9.843 -1.850 1.00 0.00 O ATOM 89 CB SER A 6 3.958 9.133 -4.500 1.00 0.00 C ATOM 90 OG SER A 6 4.093 8.660 -5.831 1.00 0.00 O ATOM 0 H SER A 6 6.447 8.688 -4.250 1.00 0.00 H new ATOM 0 HA SER A 6 4.832 11.064 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.063 8.302 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.959 9.546 -4.357 1.00 0.00 H new ATOM 0 HG SER A 6 3.413 7.977 -6.006 1.00 0.00 H new ATOM 96 N THR A 7 5.110 11.940 -2.496 1.00 0.00 N ATOM 97 CA THR A 7 5.050 12.479 -1.146 1.00 0.00 C ATOM 98 C THR A 7 3.606 12.606 -0.670 1.00 0.00 C ATOM 99 O THR A 7 2.679 12.187 -1.364 1.00 0.00 O ATOM 100 CB THR A 7 5.754 13.850 -1.046 1.00 0.00 C ATOM 101 OG1 THR A 7 5.107 14.815 -1.889 1.00 0.00 O ATOM 102 CG2 THR A 7 7.220 13.733 -1.434 1.00 0.00 C ATOM 0 H THR A 7 5.328 12.627 -3.217 1.00 0.00 H new ATOM 0 HA THR A 7 5.576 11.776 -0.500 1.00 0.00 H new ATOM 0 HB THR A 7 5.689 14.184 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.698 14.359 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.696 14.710 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.719 13.032 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.297 13.372 -2.460 1.00 0.00 H new ATOM 110 N THR A 8 3.416 13.187 0.506 1.00 0.00 N ATOM 111 CA THR A 8 2.093 13.305 1.097 1.00 0.00 C ATOM 112 C THR A 8 1.153 14.096 0.188 1.00 0.00 C ATOM 113 O THR A 8 0.007 13.700 -0.022 1.00 0.00 O ATOM 114 CB THR A 8 2.170 13.965 2.485 1.00 0.00 C ATOM 115 OG1 THR A 8 3.212 13.348 3.254 1.00 0.00 O ATOM 116 CG2 THR A 8 0.850 13.830 3.225 1.00 0.00 C ATOM 0 H THR A 8 4.166 13.585 1.071 1.00 0.00 H new ATOM 0 HA THR A 8 1.692 12.298 1.213 1.00 0.00 H new ATOM 0 HB THR A 8 2.385 15.025 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.261 13.770 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.931 14.305 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.060 14.314 2.651 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.611 12.774 3.353 1.00 0.00 H new ATOM 124 N GLU A 9 1.653 15.190 -0.375 1.00 0.00 N ATOM 125 CA GLU A 9 0.858 16.010 -1.282 1.00 0.00 C ATOM 126 C GLU A 9 0.463 15.198 -2.516 1.00 0.00 C ATOM 127 O GLU A 9 -0.706 15.189 -2.912 1.00 0.00 O ATOM 128 CB GLU A 9 1.635 17.276 -1.672 1.00 0.00 C ATOM 129 CG GLU A 9 0.815 18.326 -2.415 1.00 0.00 C ATOM 130 CD GLU A 9 0.576 17.989 -3.874 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.561 17.762 -4.608 1.00 0.00 O ATOM 132 OE2 GLU A 9 -0.599 17.961 -4.298 1.00 0.00 O ATOM 0 H GLU A 9 2.602 15.529 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.056 16.320 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.044 17.727 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.481 16.988 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.147 18.444 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.327 19.286 -2.352 1.00 0.00 H new ATOM 139 N ASP A 10 1.431 14.491 -3.097 1.00 0.00 N ATOM 140 CA ASP A 10 1.166 13.646 -4.262 1.00 0.00 C ATOM 141 C ASP A 10 0.153 12.569 -3.910 1.00 0.00 C ATOM 142 O ASP A 10 -0.736 12.251 -4.699 1.00 0.00 O ATOM 143 CB ASP A 10 2.443 12.975 -4.779 1.00 0.00 C ATOM 144 CG ASP A 10 3.531 13.955 -5.160 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.411 14.229 -4.316 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.524 14.449 -6.306 1.00 0.00 O ATOM 0 H ASP A 10 2.401 14.486 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 10 0.771 14.292 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.825 12.301 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.196 12.364 -5.647 1.00 0.00 H new ATOM 151 N LEU A 11 0.289 12.018 -2.710 1.00 0.00 N ATOM 152 CA LEU A 11 -0.592 10.962 -2.247 1.00 0.00 C ATOM 153 C LEU A 11 -2.027 11.460 -2.116 1.00 0.00 C ATOM 154 O LEU A 11 -2.966 10.771 -2.508 1.00 0.00 O ATOM 155 CB LEU A 11 -0.097 10.396 -0.913 1.00 0.00 C ATOM 156 CG LEU A 11 -0.998 9.338 -0.296 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.084 8.128 -1.207 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.486 8.943 1.079 1.00 0.00 C ATOM 0 H LEU A 11 1.007 12.290 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.579 10.165 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.894 9.967 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.014 11.217 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.999 9.753 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.732 7.377 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.494 8.427 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.088 7.709 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.142 8.185 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.523 8.541 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.472 9.819 1.727 1.00 0.00 H new ATOM 170 N GLN A 12 -2.193 12.675 -1.601 1.00 0.00 N ATOM 171 CA GLN A 12 -3.520 13.251 -1.424 1.00 0.00 C ATOM 172 C GLN A 12 -4.156 13.524 -2.777 1.00 0.00 C ATOM 173 O GLN A 12 -5.377 13.606 -2.904 1.00 0.00 O ATOM 174 CB GLN A 12 -3.446 14.543 -0.615 1.00 0.00 C ATOM 175 CG GLN A 12 -2.852 14.365 0.771 1.00 0.00 C ATOM 176 CD GLN A 12 -2.694 15.672 1.527 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.749 15.697 2.754 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.497 16.767 0.807 1.00 0.00 N ATOM 0 H GLN A 12 -1.427 13.277 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.133 12.535 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.850 15.271 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.449 14.959 -0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.488 13.694 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.878 13.884 0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.457 16.708 -0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.385 17.669 1.270 1.00 0.00 H new ATOM 187 N ARG A 13 -3.312 13.658 -3.785 1.00 0.00 N ATOM 188 CA ARG A 13 -3.768 13.860 -5.146 1.00 0.00 C ATOM 189 C ARG A 13 -4.393 12.573 -5.675 1.00 0.00 C ATOM 190 O ARG A 13 -5.590 12.522 -5.952 1.00 0.00 O ATOM 191 CB ARG A 13 -2.593 14.283 -6.020 1.00 0.00 C ATOM 192 CG ARG A 13 -2.976 14.756 -7.409 1.00 0.00 C ATOM 193 CD ARG A 13 -1.738 14.988 -8.259 1.00 0.00 C ATOM 194 NE ARG A 13 -0.710 15.735 -7.530 1.00 0.00 N ATOM 195 CZ ARG A 13 0.574 15.379 -7.474 1.00 0.00 C ATOM 196 NH1 ARG A 13 1.014 14.343 -8.183 1.00 0.00 N ATOM 197 NH2 ARG A 13 1.426 16.061 -6.720 1.00 0.00 N ATOM 0 H ARG A 13 -2.298 13.630 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.522 14.647 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.051 15.083 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.906 13.442 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.617 14.015 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.552 15.678 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.332 14.029 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.013 15.534 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.994 16.580 -7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.368 13.817 -8.772 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.997 14.074 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.100 16.862 -6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.407 15.784 -6.681 1.00 0.00 H new ATOM 211 N TYR A 14 -3.579 11.520 -5.758 1.00 0.00 N ATOM 212 CA TYR A 14 -4.023 10.231 -6.290 1.00 0.00 C ATOM 213 C TYR A 14 -5.192 9.667 -5.490 1.00 0.00 C ATOM 214 O TYR A 14 -6.120 9.083 -6.051 1.00 0.00 O ATOM 215 CB TYR A 14 -2.880 9.215 -6.274 1.00 0.00 C ATOM 216 CG TYR A 14 -1.647 9.660 -7.029 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.408 9.733 -6.404 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.726 10.009 -8.370 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.716 10.140 -7.096 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.606 10.415 -9.069 1.00 0.00 C ATOM 221 CZ TYR A 14 0.612 10.479 -8.427 1.00 0.00 C ATOM 222 OH TYR A 14 1.732 10.884 -9.117 1.00 0.00 O ATOM 0 H TYR A 14 -2.603 11.535 -5.462 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.347 10.406 -7.316 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.605 9.010 -5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.236 8.277 -6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.323 9.467 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.679 9.962 -8.875 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.672 10.192 -6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.684 10.681 -10.113 1.00 0.00 H new ATOM 0 HH TYR A 14 1.489 11.086 -10.045 1.00 0.00 H new ATOM 232 N ARG A 15 -5.141 9.851 -4.179 1.00 0.00 N ATOM 233 CA ARG A 15 -6.133 9.286 -3.279 1.00 0.00 C ATOM 234 C ARG A 15 -7.518 9.875 -3.529 1.00 0.00 C ATOM 235 O ARG A 15 -8.518 9.165 -3.469 1.00 0.00 O ATOM 236 CB ARG A 15 -5.667 9.468 -1.828 1.00 0.00 C ATOM 237 CG ARG A 15 -6.700 10.030 -0.862 1.00 0.00 C ATOM 238 CD ARG A 15 -6.209 9.905 0.575 1.00 0.00 C ATOM 239 NE ARG A 15 -7.100 10.549 1.535 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.078 10.296 2.842 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.281 9.350 3.328 1.00 0.00 N ATOM 242 NH2 ARG A 15 -7.877 10.976 3.659 1.00 0.00 N ATOM 0 H ARG A 15 -4.414 10.393 -3.712 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.227 8.218 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.333 8.502 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.799 10.128 -1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.895 11.077 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.643 9.497 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.110 8.850 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.216 10.347 0.655 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.775 11.229 1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.683 8.814 2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.267 9.160 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.503 11.688 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.863 10.785 4.661 1.00 0.00 H new ATOM 256 N THR A 16 -7.573 11.160 -3.849 1.00 0.00 N ATOM 257 CA THR A 16 -8.836 11.809 -4.153 1.00 0.00 C ATOM 258 C THR A 16 -9.395 11.301 -5.483 1.00 0.00 C ATOM 259 O THR A 16 -10.593 11.030 -5.600 1.00 0.00 O ATOM 260 CB THR A 16 -8.662 13.332 -4.220 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.023 13.801 -3.024 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.005 14.023 -4.382 1.00 0.00 C ATOM 0 H THR A 16 -6.758 11.771 -3.904 1.00 0.00 H new ATOM 0 HA THR A 16 -9.537 11.567 -3.354 1.00 0.00 H new ATOM 0 HB THR A 16 -8.042 13.569 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.054 13.675 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.856 15.102 -4.427 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.480 13.684 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.644 13.780 -3.533 1.00 0.00 H new ATOM 270 N GLU A 17 -8.516 11.159 -6.471 1.00 0.00 N ATOM 271 CA GLU A 17 -8.904 10.638 -7.780 1.00 0.00 C ATOM 272 C GLU A 17 -9.549 9.263 -7.628 1.00 0.00 C ATOM 273 O GLU A 17 -10.641 9.020 -8.140 1.00 0.00 O ATOM 274 CB GLU A 17 -7.688 10.521 -8.708 1.00 0.00 C ATOM 275 CG GLU A 17 -6.713 11.682 -8.609 1.00 0.00 C ATOM 276 CD GLU A 17 -7.307 12.988 -9.089 1.00 0.00 C ATOM 277 OE1 GLU A 17 -7.829 13.758 -8.257 1.00 0.00 O ATOM 278 OE2 GLU A 17 -7.254 13.249 -10.310 1.00 0.00 O ATOM 0 H GLU A 17 -7.528 11.398 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.618 11.335 -8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.158 9.596 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.037 10.442 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.391 11.793 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.823 11.455 -9.197 1.00 0.00 H new ATOM 285 N CYS A 18 -8.875 8.372 -6.908 1.00 0.00 N ATOM 286 CA CYS A 18 -9.387 7.025 -6.691 1.00 0.00 C ATOM 287 C CYS A 18 -10.680 7.050 -5.884 1.00 0.00 C ATOM 288 O CYS A 18 -11.595 6.272 -6.153 1.00 0.00 O ATOM 289 CB CYS A 18 -8.343 6.147 -6.003 1.00 0.00 C ATOM 290 SG CYS A 18 -6.883 5.807 -7.036 1.00 0.00 S ATOM 0 H CYS A 18 -7.975 8.558 -6.466 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.606 6.595 -7.668 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.021 6.633 -5.082 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.805 5.202 -5.719 1.00 0.00 H new ATOM 295 N VAL A 19 -10.764 7.957 -4.914 1.00 0.00 N ATOM 296 CA VAL A 19 -11.975 8.111 -4.124 1.00 0.00 C ATOM 297 C VAL A 19 -13.153 8.488 -5.012 1.00 0.00 C ATOM 298 O VAL A 19 -14.190 7.820 -5.006 1.00 0.00 O ATOM 299 CB VAL A 19 -11.797 9.165 -3.005 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.136 9.749 -2.580 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.094 8.545 -1.811 1.00 0.00 C ATOM 0 H VAL A 19 -10.008 8.593 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.179 7.150 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.185 9.976 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.978 10.486 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.612 10.228 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.779 8.952 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.974 9.295 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.689 7.715 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.114 8.179 -2.116 1.00 0.00 H new ATOM 311 N SER A 20 -12.969 9.538 -5.794 1.00 0.00 N ATOM 312 CA SER A 20 -14.018 10.048 -6.657 1.00 0.00 C ATOM 313 C SER A 20 -14.403 9.023 -7.731 1.00 0.00 C ATOM 314 O SER A 20 -15.578 8.885 -8.072 1.00 0.00 O ATOM 315 CB SER A 20 -13.549 11.357 -7.298 1.00 0.00 C ATOM 316 OG SER A 20 -14.622 12.047 -7.924 1.00 0.00 O ATOM 0 H SER A 20 -12.093 10.058 -5.848 1.00 0.00 H new ATOM 0 HA SER A 20 -14.908 10.237 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.100 11.995 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.773 11.145 -8.034 1.00 0.00 H new ATOM 0 HG SER A 20 -14.289 12.878 -8.322 1.00 0.00 H new ATOM 322 N SER A 21 -13.419 8.289 -8.245 1.00 0.00 N ATOM 323 CA SER A 21 -13.666 7.326 -9.313 1.00 0.00 C ATOM 324 C SER A 21 -14.343 6.060 -8.791 1.00 0.00 C ATOM 325 O SER A 21 -15.339 5.609 -9.356 1.00 0.00 O ATOM 326 CB SER A 21 -12.351 6.961 -10.000 1.00 0.00 C ATOM 327 OG SER A 21 -11.768 8.091 -10.630 1.00 0.00 O ATOM 0 H SER A 21 -12.447 8.343 -7.940 1.00 0.00 H new ATOM 0 HA SER A 21 -14.340 7.794 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.656 6.552 -9.266 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.529 6.181 -10.740 1.00 0.00 H new ATOM 0 HG SER A 21 -11.274 8.617 -9.967 1.00 0.00 H new ATOM 333 N LEU A 22 -13.817 5.494 -7.706 1.00 0.00 N ATOM 334 CA LEU A 22 -14.308 4.213 -7.204 1.00 0.00 C ATOM 335 C LEU A 22 -15.542 4.373 -6.320 1.00 0.00 C ATOM 336 O LEU A 22 -15.962 3.422 -5.656 1.00 0.00 O ATOM 337 CB LEU A 22 -13.208 3.485 -6.431 1.00 0.00 C ATOM 338 CG LEU A 22 -12.029 3.016 -7.279 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.940 2.435 -6.396 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.488 1.990 -8.298 1.00 0.00 C ATOM 0 H LEU A 22 -13.056 5.899 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.597 3.621 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.834 4.147 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.646 2.620 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.621 3.875 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.106 2.105 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.594 3.196 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.337 1.586 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.636 1.665 -8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.918 1.132 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.240 2.436 -8.950 1.00 0.00 H new ATOM 352 N ASN A 23 -16.113 5.577 -6.317 1.00 0.00 N ATOM 353 CA ASN A 23 -17.321 5.873 -5.542 1.00 0.00 C ATOM 354 C ASN A 23 -17.103 5.587 -4.050 1.00 0.00 C ATOM 355 O ASN A 23 -17.988 5.078 -3.358 1.00 0.00 O ATOM 356 CB ASN A 23 -18.500 5.058 -6.090 1.00 0.00 C ATOM 357 CG ASN A 23 -19.838 5.437 -5.481 1.00 0.00 C ATOM 358 OD1 ASN A 23 -20.066 6.588 -5.100 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.730 4.465 -5.374 1.00 0.00 N ATOM 0 H ASN A 23 -15.755 6.371 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.550 6.934 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.552 5.191 -7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.315 3.999 -5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -21.645 4.655 -4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.503 3.526 -5.701 1.00 0.00 H new ATOM 366 N ILE A 24 -15.911 5.908 -3.560 1.00 0.00 N ATOM 367 CA ILE A 24 -15.580 5.708 -2.159 1.00 0.00 C ATOM 368 C ILE A 24 -16.297 6.742 -1.295 1.00 0.00 C ATOM 369 O ILE A 24 -16.145 7.947 -1.505 1.00 0.00 O ATOM 370 CB ILE A 24 -14.058 5.812 -1.918 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.288 4.944 -2.927 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.719 5.396 -0.492 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.604 3.462 -2.846 1.00 0.00 C ATOM 0 H ILE A 24 -15.157 6.309 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.907 4.705 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.757 6.850 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.509 5.296 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.219 5.085 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.643 5.474 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.236 6.050 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.035 4.366 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.018 2.924 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.355 3.091 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.666 3.305 -3.037 1.00 0.00 H new ATOM 385 N PRO A 25 -17.105 6.279 -0.329 1.00 0.00 N ATOM 386 CA PRO A 25 -17.840 7.160 0.581 1.00 0.00 C ATOM 387 C PRO A 25 -16.907 7.997 1.447 1.00 0.00 C ATOM 388 O PRO A 25 -15.846 7.533 1.878 1.00 0.00 O ATOM 389 CB PRO A 25 -18.653 6.202 1.458 1.00 0.00 C ATOM 390 CG PRO A 25 -18.623 4.887 0.765 1.00 0.00 C ATOM 391 CD PRO A 25 -17.363 4.859 -0.051 1.00 0.00 C ATOM 0 HA PRO A 25 -18.455 7.874 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.223 6.127 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.677 6.557 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.636 4.069 1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.499 4.765 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.540 4.401 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.492 4.287 -0.970 1.00 0.00 H new ATOM 399 N ALA A 26 -17.328 9.235 1.696 1.00 0.00 N ATOM 400 CA ALA A 26 -16.566 10.189 2.494 1.00 0.00 C ATOM 401 C ALA A 26 -16.289 9.647 3.891 1.00 0.00 C ATOM 402 O ALA A 26 -15.311 10.029 4.531 1.00 0.00 O ATOM 403 CB ALA A 26 -17.324 11.499 2.591 1.00 0.00 C ATOM 0 H ALA A 26 -18.212 9.605 1.347 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.609 10.355 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.750 12.208 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.476 11.906 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.291 11.326 3.063 1.00 0.00 H new ATOM 409 N ASP A 27 -17.174 8.776 4.359 1.00 0.00 N ATOM 410 CA ASP A 27 -16.998 8.102 5.640 1.00 0.00 C ATOM 411 C ASP A 27 -15.663 7.364 5.688 1.00 0.00 C ATOM 412 O ASP A 27 -14.869 7.553 6.611 1.00 0.00 O ATOM 413 CB ASP A 27 -18.145 7.127 5.883 1.00 0.00 C ATOM 414 CG ASP A 27 -17.985 6.359 7.178 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.570 5.184 7.131 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.276 6.927 8.251 1.00 0.00 O ATOM 0 H ASP A 27 -18.029 8.518 3.866 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.000 8.857 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.087 7.676 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.203 6.424 5.052 1.00 0.00 H new ATOM 421 N TYR A 28 -15.415 6.528 4.682 1.00 0.00 N ATOM 422 CA TYR A 28 -14.153 5.814 4.576 1.00 0.00 C ATOM 423 C TYR A 28 -12.981 6.780 4.449 1.00 0.00 C ATOM 424 O TYR A 28 -11.935 6.572 5.055 1.00 0.00 O ATOM 425 CB TYR A 28 -14.181 4.852 3.385 1.00 0.00 C ATOM 426 CG TYR A 28 -14.904 3.559 3.685 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.288 3.488 3.627 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.202 2.408 4.026 1.00 0.00 C ATOM 429 CE1 TYR A 28 -16.956 2.310 3.902 1.00 0.00 C ATOM 430 CE2 TYR A 28 -14.863 1.226 4.302 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.238 1.183 4.239 1.00 0.00 C ATOM 432 OH TYR A 28 -16.899 0.008 4.516 1.00 0.00 O ATOM 0 H TYR A 28 -16.075 6.331 3.930 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.017 5.237 5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.663 5.343 2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.158 4.628 3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -16.854 4.369 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.124 2.438 4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.034 2.273 3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.304 0.340 4.566 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.247 -0.690 4.735 1.00 0.00 H new ATOM 442 N VAL A 29 -13.170 7.843 3.671 1.00 0.00 N ATOM 443 CA VAL A 29 -12.136 8.855 3.472 1.00 0.00 C ATOM 444 C VAL A 29 -11.734 9.490 4.803 1.00 0.00 C ATOM 445 O VAL A 29 -10.551 9.726 5.065 1.00 0.00 O ATOM 446 CB VAL A 29 -12.613 9.952 2.509 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.509 10.963 2.257 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.086 9.338 1.205 1.00 0.00 C ATOM 0 H VAL A 29 -14.036 8.026 3.165 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.271 8.355 3.037 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.451 10.475 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.868 11.731 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.217 11.425 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.648 10.459 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.421 10.127 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.265 8.790 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.912 8.655 1.403 1.00 0.00 H new ATOM 458 N GLU A 30 -12.730 9.750 5.644 1.00 0.00 N ATOM 459 CA GLU A 30 -12.497 10.299 6.974 1.00 0.00 C ATOM 460 C GLU A 30 -11.642 9.344 7.800 1.00 0.00 C ATOM 461 O GLU A 30 -10.769 9.761 8.563 1.00 0.00 O ATOM 462 CB GLU A 30 -13.838 10.575 7.665 1.00 0.00 C ATOM 463 CG GLU A 30 -13.897 10.138 9.120 1.00 0.00 C ATOM 464 CD GLU A 30 -15.187 10.542 9.793 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.264 11.687 10.283 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.128 9.725 9.838 1.00 0.00 O ATOM 0 H GLU A 30 -13.713 9.588 5.425 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.955 11.240 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.048 11.643 7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.629 10.066 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.786 9.055 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.057 10.573 9.661 1.00 0.00 H new ATOM 473 N LYS A 31 -11.899 8.057 7.629 1.00 0.00 N ATOM 474 CA LYS A 31 -11.139 7.032 8.323 1.00 0.00 C ATOM 475 C LYS A 31 -9.700 7.000 7.817 1.00 0.00 C ATOM 476 O LYS A 31 -8.761 7.025 8.611 1.00 0.00 O ATOM 477 CB LYS A 31 -11.806 5.668 8.166 1.00 0.00 C ATOM 478 CG LYS A 31 -13.218 5.648 8.723 1.00 0.00 C ATOM 479 CD LYS A 31 -13.816 4.251 8.731 1.00 0.00 C ATOM 480 CE LYS A 31 -15.270 4.288 9.194 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.863 2.931 9.304 1.00 0.00 N ATOM 0 H LYS A 31 -12.629 7.698 7.014 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.119 7.275 9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.831 5.398 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.207 4.913 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.211 6.043 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.850 6.308 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.758 3.820 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.236 3.606 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.328 4.787 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.857 4.882 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.850 3.008 9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.833 2.463 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.321 2.370 9.992 1.00 0.00 H new ATOM 495 N PHE A 32 -9.536 6.990 6.495 1.00 0.00 N ATOM 496 CA PHE A 32 -8.212 6.979 5.872 1.00 0.00 C ATOM 497 C PHE A 32 -7.379 8.182 6.318 1.00 0.00 C ATOM 498 O PHE A 32 -6.150 8.142 6.295 1.00 0.00 O ATOM 499 CB PHE A 32 -8.320 6.979 4.339 1.00 0.00 C ATOM 500 CG PHE A 32 -9.185 5.890 3.769 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.265 4.653 4.379 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.914 6.110 2.610 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.057 3.655 3.850 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.708 5.115 2.076 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.780 3.884 2.697 1.00 0.00 C ATOM 0 H PHE A 32 -10.309 6.989 5.830 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.716 6.064 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.714 7.943 4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.319 6.886 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.701 4.465 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.860 7.071 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.111 2.693 4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.272 5.299 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.400 3.103 2.282 1.00 0.00 H new ATOM 515 N LYS A 33 -8.058 9.248 6.734 1.00 0.00 N ATOM 516 CA LYS A 33 -7.396 10.461 7.193 1.00 0.00 C ATOM 517 C LYS A 33 -6.598 10.184 8.466 1.00 0.00 C ATOM 518 O LYS A 33 -5.564 10.802 8.710 1.00 0.00 O ATOM 519 CB LYS A 33 -8.439 11.546 7.455 1.00 0.00 C ATOM 520 CG LYS A 33 -7.896 12.955 7.310 1.00 0.00 C ATOM 521 CD LYS A 33 -8.992 13.991 7.492 1.00 0.00 C ATOM 522 CE LYS A 33 -8.481 15.399 7.236 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.412 15.789 8.191 1.00 0.00 N ATOM 0 H LYS A 33 -9.077 9.293 6.762 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.707 10.802 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.271 11.413 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.837 11.420 8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.110 13.121 8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.442 13.072 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.815 13.773 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.390 13.926 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.098 15.465 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.309 16.104 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.188 16.797 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.738 15.622 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.560 15.221 8.009 1.00 0.00 H new ATOM 537 N LYS A 34 -7.082 9.241 9.268 1.00 0.00 N ATOM 538 CA LYS A 34 -6.402 8.860 10.499 1.00 0.00 C ATOM 539 C LYS A 34 -5.760 7.484 10.354 1.00 0.00 C ATOM 540 O LYS A 34 -5.628 6.744 11.330 1.00 0.00 O ATOM 541 CB LYS A 34 -7.381 8.860 11.676 1.00 0.00 C ATOM 542 CG LYS A 34 -7.848 10.246 12.086 1.00 0.00 C ATOM 543 CD LYS A 34 -6.683 11.137 12.480 1.00 0.00 C ATOM 544 CE LYS A 34 -7.166 12.476 13.010 1.00 0.00 C ATOM 545 NZ LYS A 34 -7.985 12.325 14.240 1.00 0.00 N ATOM 0 H LYS A 34 -7.944 8.727 9.086 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.619 9.592 10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.250 8.257 11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.906 8.379 12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.394 10.705 11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.542 10.164 12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.082 10.638 13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.037 11.297 11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.307 13.113 13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.754 12.979 12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.038 13.238 14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.944 12.014 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.547 11.617 14.864 1.00 0.00 H new ATOM 559 N TRP A 35 -5.354 7.165 9.128 1.00 0.00 N ATOM 560 CA TRP A 35 -4.771 5.866 8.795 1.00 0.00 C ATOM 561 C TRP A 35 -5.642 4.699 9.268 1.00 0.00 C ATOM 562 O TRP A 35 -5.136 3.693 9.767 1.00 0.00 O ATOM 563 CB TRP A 35 -3.364 5.755 9.380 1.00 0.00 C ATOM 564 CG TRP A 35 -2.410 6.761 8.812 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.220 8.039 9.247 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.519 6.577 7.705 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.265 8.660 8.485 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.816 7.785 7.532 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.244 5.511 6.847 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.142 7.953 6.538 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.293 5.679 5.861 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.392 6.889 5.712 1.00 0.00 C ATOM 0 H TRP A 35 -5.420 7.802 8.334 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.716 5.803 7.708 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.416 5.882 10.461 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.978 4.752 9.195 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.746 8.496 10.072 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.941 9.619 8.608 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.766 4.571 6.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.670 8.888 6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.074 4.860 5.192 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.132 6.987 4.931 1.00 0.00 H new ATOM 583 N GLU A 36 -6.946 4.838 9.101 1.00 0.00 N ATOM 584 CA GLU A 36 -7.883 3.781 9.448 1.00 0.00 C ATOM 585 C GLU A 36 -8.398 3.109 8.186 1.00 0.00 C ATOM 586 O GLU A 36 -9.163 3.698 7.424 1.00 0.00 O ATOM 587 CB GLU A 36 -9.059 4.342 10.241 1.00 0.00 C ATOM 588 CG GLU A 36 -8.681 4.906 11.595 1.00 0.00 C ATOM 589 CD GLU A 36 -9.859 5.546 12.300 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.814 4.820 12.646 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.833 6.776 12.523 1.00 0.00 O ATOM 0 H GLU A 36 -7.383 5.679 8.724 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.361 3.049 10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.538 5.126 9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.798 3.553 10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.277 4.108 12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.890 5.645 11.470 1.00 0.00 H new ATOM 598 N PHE A 37 -7.970 1.881 7.966 1.00 0.00 N ATOM 599 CA PHE A 37 -8.372 1.133 6.786 1.00 0.00 C ATOM 600 C PHE A 37 -9.185 -0.094 7.183 1.00 0.00 C ATOM 601 O PHE A 37 -8.618 -1.152 7.467 1.00 0.00 O ATOM 602 CB PHE A 37 -7.134 0.703 5.985 1.00 0.00 C ATOM 603 CG PHE A 37 -6.221 1.846 5.638 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.267 2.278 6.546 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.318 2.493 4.415 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.429 3.334 6.243 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.482 3.548 4.108 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.538 3.971 5.024 1.00 0.00 C ATOM 0 H PHE A 37 -7.341 1.377 8.591 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.993 1.778 6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.576 -0.036 6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.457 0.214 5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.178 1.783 7.502 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.055 2.168 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.690 3.660 6.959 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.566 4.043 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.887 4.799 4.786 1.00 0.00 H new ATOM 618 N PRO A 38 -10.522 0.034 7.247 1.00 0.00 N ATOM 619 CA PRO A 38 -11.407 -1.097 7.536 1.00 0.00 C ATOM 620 C PRO A 38 -11.232 -2.229 6.537 1.00 0.00 C ATOM 621 O PRO A 38 -11.055 -1.999 5.336 1.00 0.00 O ATOM 622 CB PRO A 38 -12.808 -0.500 7.424 1.00 0.00 C ATOM 623 CG PRO A 38 -12.615 0.951 7.674 1.00 0.00 C ATOM 624 CD PRO A 38 -11.284 1.283 7.060 1.00 0.00 C ATOM 0 HA PRO A 38 -11.199 -1.537 8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.238 -0.679 6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.487 -0.942 8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.415 1.538 7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.622 1.171 8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.378 1.546 6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.807 2.127 7.558 1.00 0.00 H new ATOM 632 N GLU A 39 -11.277 -3.447 7.043 1.00 0.00 N ATOM 633 CA GLU A 39 -11.108 -4.625 6.218 1.00 0.00 C ATOM 634 C GLU A 39 -12.388 -4.894 5.432 1.00 0.00 C ATOM 635 O GLU A 39 -13.294 -5.597 5.889 1.00 0.00 O ATOM 636 CB GLU A 39 -10.710 -5.814 7.093 1.00 0.00 C ATOM 637 CG GLU A 39 -10.339 -7.065 6.318 1.00 0.00 C ATOM 638 CD GLU A 39 -9.540 -8.036 7.159 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.307 -8.111 6.974 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.132 -8.710 8.028 1.00 0.00 O ATOM 0 H GLU A 39 -11.431 -3.646 8.032 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.307 -4.463 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.865 -5.524 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.536 -6.049 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.246 -7.554 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.761 -6.787 5.437 1.00 0.00 H new ATOM 647 N ASP A 40 -12.447 -4.293 4.253 1.00 0.00 N ATOM 648 CA ASP A 40 -13.624 -4.345 3.390 1.00 0.00 C ATOM 649 C ASP A 40 -13.193 -4.113 1.949 1.00 0.00 C ATOM 650 O ASP A 40 -12.265 -3.347 1.689 1.00 0.00 O ATOM 651 CB ASP A 40 -14.645 -3.273 3.807 1.00 0.00 C ATOM 652 CG ASP A 40 -15.929 -3.325 2.998 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.927 -2.882 1.829 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.952 -3.799 3.535 1.00 0.00 O ATOM 0 H ASP A 40 -11.676 -3.751 3.863 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.094 -5.324 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.883 -3.398 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.193 -2.287 3.697 1.00 0.00 H new ATOM 659 N ASP A 41 -13.879 -4.790 1.025 1.00 0.00 N ATOM 660 CA ASP A 41 -13.553 -4.740 -0.405 1.00 0.00 C ATOM 661 C ASP A 41 -13.491 -3.309 -0.934 1.00 0.00 C ATOM 662 O ASP A 41 -12.749 -3.028 -1.876 1.00 0.00 O ATOM 663 CB ASP A 41 -14.570 -5.535 -1.232 1.00 0.00 C ATOM 664 CG ASP A 41 -14.565 -7.016 -0.911 1.00 0.00 C ATOM 665 OD1 ASP A 41 -14.168 -7.817 -1.783 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.965 -7.389 0.211 1.00 0.00 O ATOM 0 H ASP A 41 -14.675 -5.388 1.245 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.565 -5.189 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.568 -5.134 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.355 -5.398 -2.292 1.00 0.00 H new ATOM 671 N THR A 42 -14.276 -2.416 -0.335 1.00 0.00 N ATOM 672 CA THR A 42 -14.270 -1.006 -0.706 1.00 0.00 C ATOM 673 C THR A 42 -12.870 -0.417 -0.544 1.00 0.00 C ATOM 674 O THR A 42 -12.265 0.072 -1.503 1.00 0.00 O ATOM 675 CB THR A 42 -15.244 -0.211 0.182 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.495 -0.903 0.282 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.468 1.184 -0.377 1.00 0.00 C ATOM 0 H THR A 42 -14.928 -2.648 0.414 1.00 0.00 H new ATOM 0 HA THR A 42 -14.581 -0.934 -1.748 1.00 0.00 H new ATOM 0 HB THR A 42 -14.804 -0.119 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.514 -1.427 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.160 1.727 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.518 1.716 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.888 1.111 -1.380 1.00 0.00 H new ATOM 685 N THR A 43 -12.365 -0.489 0.682 1.00 0.00 N ATOM 686 CA THR A 43 -11.031 -0.017 1.017 1.00 0.00 C ATOM 687 C THR A 43 -9.972 -0.722 0.169 1.00 0.00 C ATOM 688 O THR A 43 -8.968 -0.128 -0.221 1.00 0.00 O ATOM 689 CB THR A 43 -10.737 -0.282 2.506 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.826 0.192 3.312 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.450 0.398 2.944 1.00 0.00 C ATOM 0 H THR A 43 -12.874 -0.879 1.475 1.00 0.00 H new ATOM 0 HA THR A 43 -10.993 1.053 0.814 1.00 0.00 H new ATOM 0 HB THR A 43 -10.620 -1.358 2.638 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.883 -0.342 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.271 0.192 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.617 0.016 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.538 1.474 2.794 1.00 0.00 H new ATOM 699 N MET A 44 -10.228 -1.985 -0.129 1.00 0.00 N ATOM 700 CA MET A 44 -9.267 -2.824 -0.829 1.00 0.00 C ATOM 701 C MET A 44 -9.066 -2.371 -2.273 1.00 0.00 C ATOM 702 O MET A 44 -7.933 -2.171 -2.713 1.00 0.00 O ATOM 703 CB MET A 44 -9.719 -4.279 -0.786 1.00 0.00 C ATOM 704 CG MET A 44 -9.853 -4.820 0.626 1.00 0.00 C ATOM 705 SD MET A 44 -10.353 -6.547 0.678 1.00 0.00 S ATOM 706 CE MET A 44 -10.417 -6.804 2.450 1.00 0.00 C ATOM 0 H MET A 44 -11.102 -2.456 0.105 1.00 0.00 H new ATOM 0 HA MET A 44 -8.307 -2.729 -0.321 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.678 -4.370 -1.296 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.005 -4.891 -1.337 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.900 -4.709 1.143 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.583 -4.221 1.170 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.704 -7.579 2.731 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.164 -5.875 2.962 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.422 -7.114 2.737 1.00 0.00 H new ATOM 716 N CYS A 45 -10.161 -2.201 -3.009 1.00 0.00 N ATOM 717 CA CYS A 45 -10.075 -1.745 -4.394 1.00 0.00 C ATOM 718 C CYS A 45 -9.517 -0.326 -4.449 1.00 0.00 C ATOM 719 O CYS A 45 -8.861 0.063 -5.418 1.00 0.00 O ATOM 720 CB CYS A 45 -11.442 -1.804 -5.085 1.00 0.00 C ATOM 721 SG CYS A 45 -12.160 -3.481 -5.201 1.00 0.00 S ATOM 0 H CYS A 45 -11.110 -2.370 -2.674 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.399 -2.414 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.137 -1.162 -4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.345 -1.393 -6.090 1.00 0.00 H new ATOM 726 N TYR A 46 -9.767 0.430 -3.391 1.00 0.00 N ATOM 727 CA TYR A 46 -9.235 1.772 -3.261 1.00 0.00 C ATOM 728 C TYR A 46 -7.712 1.740 -3.189 1.00 0.00 C ATOM 729 O TYR A 46 -7.032 2.481 -3.900 1.00 0.00 O ATOM 730 CB TYR A 46 -9.833 2.435 -2.019 1.00 0.00 C ATOM 731 CG TYR A 46 -9.077 3.652 -1.539 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.391 3.627 -0.330 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.048 4.822 -2.287 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.702 4.734 0.119 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.357 5.930 -1.844 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.688 5.881 -0.641 1.00 0.00 C ATOM 737 OH TYR A 46 -7.008 6.985 -0.201 1.00 0.00 O ATOM 0 H TYR A 46 -10.342 0.130 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.509 2.357 -4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.862 2.723 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.869 1.703 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.398 2.727 0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.574 4.865 -3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.176 4.701 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.340 6.832 -2.438 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.756 6.861 0.738 1.00 0.00 H new ATOM 747 N ILE A 47 -7.189 0.855 -2.347 1.00 0.00 N ATOM 748 CA ILE A 47 -5.753 0.737 -2.142 1.00 0.00 C ATOM 749 C ILE A 47 -5.020 0.402 -3.441 1.00 0.00 C ATOM 750 O ILE A 47 -3.971 0.980 -3.718 1.00 0.00 O ATOM 751 CB ILE A 47 -5.418 -0.314 -1.059 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.884 0.173 0.327 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.926 -0.634 -1.044 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.282 1.501 0.759 1.00 0.00 C ATOM 0 H ILE A 47 -7.745 0.205 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.407 1.711 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.953 -1.232 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.970 0.265 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.633 -0.585 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.721 -1.376 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.629 -1.029 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.361 0.274 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.663 1.770 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.196 1.412 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.555 2.275 0.041 1.00 0.00 H new ATOM 766 N LYS A 48 -5.571 -0.503 -4.255 1.00 0.00 N ATOM 767 CA LYS A 48 -4.888 -0.877 -5.491 1.00 0.00 C ATOM 768 C LYS A 48 -4.832 0.301 -6.451 1.00 0.00 C ATOM 769 O LYS A 48 -3.800 0.551 -7.058 1.00 0.00 O ATOM 770 CB LYS A 48 -5.530 -2.079 -6.206 1.00 0.00 C ATOM 771 CG LYS A 48 -6.973 -2.355 -5.842 1.00 0.00 C ATOM 772 CD LYS A 48 -7.663 -3.177 -6.923 1.00 0.00 C ATOM 773 CE LYS A 48 -7.809 -2.389 -8.220 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.474 -3.182 -9.287 1.00 0.00 N ATOM 0 H LYS A 48 -6.459 -0.976 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.882 -1.173 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.469 -1.915 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.941 -2.969 -5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.016 -2.888 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.503 -1.413 -5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.091 -4.085 -7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.647 -3.487 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.385 -1.483 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.824 -2.074 -8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.552 -2.607 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.912 -4.033 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.424 -3.462 -8.971 1.00 0.00 H new ATOM 788 N CYS A 49 -5.947 1.017 -6.587 1.00 0.00 N ATOM 789 CA CYS A 49 -6.001 2.182 -7.466 1.00 0.00 C ATOM 790 C CYS A 49 -4.937 3.210 -7.082 1.00 0.00 C ATOM 791 O CYS A 49 -4.241 3.753 -7.944 1.00 0.00 O ATOM 792 CB CYS A 49 -7.395 2.814 -7.426 1.00 0.00 C ATOM 793 SG CYS A 49 -7.534 4.391 -8.340 1.00 0.00 S ATOM 0 H CYS A 49 -6.821 0.812 -6.102 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.796 1.849 -8.483 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.114 2.105 -7.837 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.674 2.985 -6.386 1.00 0.00 H new ATOM 798 N VAL A 50 -4.804 3.458 -5.782 1.00 0.00 N ATOM 799 CA VAL A 50 -3.832 4.410 -5.277 1.00 0.00 C ATOM 800 C VAL A 50 -2.414 3.921 -5.538 1.00 0.00 C ATOM 801 O VAL A 50 -1.580 4.644 -6.087 1.00 0.00 O ATOM 802 CB VAL A 50 -4.030 4.647 -3.768 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.959 5.564 -3.212 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.404 5.222 -3.511 1.00 0.00 C ATOM 0 H VAL A 50 -5.364 3.007 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.984 5.352 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.945 3.688 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.125 5.713 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.978 5.114 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.002 6.526 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.535 5.386 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.506 6.170 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.163 4.525 -3.867 1.00 0.00 H new ATOM 814 N PHE A 51 -2.170 2.670 -5.179 1.00 0.00 N ATOM 815 CA PHE A 51 -0.863 2.054 -5.335 1.00 0.00 C ATOM 816 C PHE A 51 -0.494 1.928 -6.812 1.00 0.00 C ATOM 817 O PHE A 51 0.677 1.849 -7.175 1.00 0.00 O ATOM 818 CB PHE A 51 -0.865 0.681 -4.658 1.00 0.00 C ATOM 819 CG PHE A 51 -0.550 0.720 -3.187 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.841 1.841 -2.424 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.024 -0.377 -2.566 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.562 1.866 -1.071 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.305 -0.356 -1.213 1.00 0.00 C ATOM 824 CZ PHE A 51 0.012 0.766 -0.466 1.00 0.00 C ATOM 0 H PHE A 51 -2.873 2.054 -4.771 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.113 2.686 -4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.843 0.221 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.138 0.041 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.291 2.704 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.255 -1.259 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.793 2.745 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.754 -1.217 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.231 0.784 0.591 1.00 0.00 H new ATOM 834 N ASN A 52 -1.513 1.924 -7.657 1.00 0.00 N ATOM 835 CA ASN A 52 -1.327 1.817 -9.096 1.00 0.00 C ATOM 836 C ASN A 52 -0.864 3.150 -9.666 1.00 0.00 C ATOM 837 O ASN A 52 0.064 3.208 -10.471 1.00 0.00 O ATOM 838 CB ASN A 52 -2.637 1.393 -9.769 1.00 0.00 C ATOM 839 CG ASN A 52 -2.501 1.211 -11.269 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.398 1.577 -12.030 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.396 0.619 -11.703 1.00 0.00 N ATOM 0 H ASN A 52 -2.488 1.994 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.566 1.062 -9.293 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.981 0.459 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.402 2.143 -9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.265 0.452 -12.701 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.677 0.331 -11.039 1.00 0.00 H new ATOM 848 N LYS A 53 -1.501 4.224 -9.216 1.00 0.00 N ATOM 849 CA LYS A 53 -1.192 5.564 -9.698 1.00 0.00 C ATOM 850 C LYS A 53 0.146 6.047 -9.152 1.00 0.00 C ATOM 851 O LYS A 53 0.803 6.898 -9.749 1.00 0.00 O ATOM 852 CB LYS A 53 -2.302 6.533 -9.294 1.00 0.00 C ATOM 853 CG LYS A 53 -3.548 6.464 -10.171 1.00 0.00 C ATOM 854 CD LYS A 53 -4.638 7.395 -9.664 1.00 0.00 C ATOM 855 CE LYS A 53 -5.855 7.386 -10.578 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.471 6.035 -10.680 1.00 0.00 N ATOM 0 H LYS A 53 -2.240 4.192 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.123 5.528 -10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.587 6.330 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.909 7.549 -9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.288 6.730 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.923 5.441 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.935 7.095 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.245 8.409 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.595 8.093 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.564 7.727 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.435 6.121 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.900 5.440 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.510 5.599 -9.737 1.00 0.00 H new ATOM 870 N MET A 54 0.543 5.494 -8.017 1.00 0.00 N ATOM 871 CA MET A 54 1.812 5.846 -7.394 1.00 0.00 C ATOM 872 C MET A 54 2.947 4.992 -7.945 1.00 0.00 C ATOM 873 O MET A 54 4.086 5.079 -7.484 1.00 0.00 O ATOM 874 CB MET A 54 1.714 5.681 -5.880 1.00 0.00 C ATOM 875 CG MET A 54 0.852 6.741 -5.220 1.00 0.00 C ATOM 876 SD MET A 54 0.384 6.313 -3.534 1.00 0.00 S ATOM 877 CE MET A 54 1.938 6.497 -2.669 1.00 0.00 C ATOM 0 H MET A 54 0.003 4.796 -7.505 1.00 0.00 H new ATOM 0 HA MET A 54 2.030 6.888 -7.626 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.305 4.696 -5.654 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.715 5.717 -5.451 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.391 7.688 -5.213 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.049 6.892 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.763 6.456 -1.594 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.613 5.691 -2.958 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.387 7.456 -2.927 1.00 0.00 H new ATOM 887 N GLN A 55 2.612 4.170 -8.946 1.00 0.00 N ATOM 888 CA GLN A 55 3.560 3.266 -9.588 1.00 0.00 C ATOM 889 C GLN A 55 4.220 2.341 -8.570 1.00 0.00 C ATOM 890 O GLN A 55 5.440 2.207 -8.529 1.00 0.00 O ATOM 891 CB GLN A 55 4.606 4.061 -10.366 1.00 0.00 C ATOM 892 CG GLN A 55 4.083 4.582 -11.688 1.00 0.00 C ATOM 893 CD GLN A 55 5.092 5.438 -12.427 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.936 6.099 -11.819 1.00 0.00 O ATOM 895 NE2 GLN A 55 5.009 5.437 -13.746 1.00 0.00 N ATOM 0 H GLN A 55 1.669 4.117 -9.332 1.00 0.00 H new ATOM 0 HA GLN A 55 3.011 2.639 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.944 4.900 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.475 3.429 -10.548 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.799 3.739 -12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.180 5.166 -11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.296 4.876 -14.212 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.658 5.997 -14.298 1.00 0.00 H new ATOM 904 N LEU A 56 3.397 1.703 -7.757 1.00 0.00 N ATOM 905 CA LEU A 56 3.888 0.881 -6.661 1.00 0.00 C ATOM 906 C LEU A 56 3.306 -0.529 -6.706 1.00 0.00 C ATOM 907 O LEU A 56 3.863 -1.465 -6.130 1.00 0.00 O ATOM 908 CB LEU A 56 3.551 1.567 -5.333 1.00 0.00 C ATOM 909 CG LEU A 56 4.696 2.367 -4.720 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.231 3.082 -3.462 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.873 1.462 -4.409 1.00 0.00 C ATOM 0 H LEU A 56 2.381 1.738 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 56 4.969 0.779 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.703 2.234 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.233 0.808 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 56 5.018 3.115 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.060 3.648 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.417 3.763 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.882 2.349 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.680 2.051 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.563 0.692 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.223 0.992 -5.328 1.00 0.00 H new ATOM 923 N PHE A 57 2.189 -0.677 -7.404 1.00 0.00 N ATOM 924 CA PHE A 57 1.519 -1.962 -7.515 1.00 0.00 C ATOM 925 C PHE A 57 1.046 -2.169 -8.944 1.00 0.00 C ATOM 926 O PHE A 57 0.566 -1.236 -9.595 1.00 0.00 O ATOM 927 CB PHE A 57 0.329 -2.041 -6.540 1.00 0.00 C ATOM 928 CG PHE A 57 -0.518 -3.279 -6.686 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.669 -3.258 -7.462 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.170 -4.458 -6.045 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.452 -4.388 -7.596 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.951 -5.591 -6.176 1.00 0.00 C ATOM 933 CZ PHE A 57 -2.093 -5.556 -6.953 1.00 0.00 C ATOM 0 H PHE A 57 1.727 0.082 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 57 2.224 -2.751 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.708 -1.994 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.303 -1.165 -6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.956 -2.347 -7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.722 -4.492 -5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.345 -4.358 -8.203 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.669 -6.503 -5.671 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.704 -6.441 -7.057 1.00 0.00 H new ATOM 943 N ASP A 58 1.202 -3.386 -9.426 1.00 0.00 N ATOM 944 CA ASP A 58 0.768 -3.748 -10.764 1.00 0.00 C ATOM 945 C ASP A 58 -0.234 -4.891 -10.682 1.00 0.00 C ATOM 946 O ASP A 58 -0.093 -5.793 -9.862 1.00 0.00 O ATOM 947 CB ASP A 58 1.974 -4.150 -11.618 1.00 0.00 C ATOM 948 CG ASP A 58 1.584 -4.512 -13.034 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.420 -5.715 -13.325 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.434 -3.592 -13.865 1.00 0.00 O ATOM 0 H ASP A 58 1.631 -4.150 -8.905 1.00 0.00 H new ATOM 0 HA ASP A 58 0.287 -2.890 -11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.690 -3.328 -11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.477 -4.999 -11.155 1.00 0.00 H new ATOM 955 N ASP A 59 -1.251 -4.834 -11.533 1.00 0.00 N ATOM 956 CA ASP A 59 -2.344 -5.811 -11.518 1.00 0.00 C ATOM 957 C ASP A 59 -1.847 -7.214 -11.861 1.00 0.00 C ATOM 958 O ASP A 59 -2.467 -8.212 -11.494 1.00 0.00 O ATOM 959 CB ASP A 59 -3.441 -5.385 -12.500 1.00 0.00 C ATOM 960 CG ASP A 59 -4.582 -6.381 -12.591 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.485 -6.343 -11.728 1.00 0.00 O ATOM 962 OD2 ASP A 59 -4.591 -7.197 -13.538 1.00 0.00 O ATOM 0 H ASP A 59 -1.346 -4.116 -12.251 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.754 -5.841 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.837 -4.416 -12.195 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.003 -5.253 -13.489 1.00 0.00 H new ATOM 967 N THR A 60 -0.727 -7.286 -12.561 1.00 0.00 N ATOM 968 CA THR A 60 -0.153 -8.561 -12.950 1.00 0.00 C ATOM 969 C THR A 60 0.931 -9.017 -11.966 1.00 0.00 C ATOM 970 O THR A 60 0.772 -10.035 -11.286 1.00 0.00 O ATOM 971 CB THR A 60 0.430 -8.469 -14.372 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.635 -8.319 -15.323 1.00 0.00 O ATOM 973 CG2 THR A 60 1.265 -9.690 -14.716 1.00 0.00 C ATOM 0 H THR A 60 -0.196 -6.472 -12.872 1.00 0.00 H new ATOM 0 HA THR A 60 -0.952 -9.303 -12.934 1.00 0.00 H new ATOM 0 HB THR A 60 1.084 -7.598 -14.412 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.261 -8.259 -16.227 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.659 -9.588 -15.727 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.092 -9.776 -14.011 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.644 -10.584 -14.657 1.00 0.00 H new ATOM 981 N GLU A 61 2.021 -8.255 -11.883 1.00 0.00 N ATOM 982 CA GLU A 61 3.167 -8.631 -11.058 1.00 0.00 C ATOM 983 C GLU A 61 2.888 -8.448 -9.567 1.00 0.00 C ATOM 984 O GLU A 61 3.614 -8.977 -8.724 1.00 0.00 O ATOM 985 CB GLU A 61 4.393 -7.802 -11.426 1.00 0.00 C ATOM 986 CG GLU A 61 4.580 -7.594 -12.914 1.00 0.00 C ATOM 987 CD GLU A 61 5.850 -6.830 -13.230 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.760 -5.645 -13.615 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.949 -7.409 -13.082 1.00 0.00 O ATOM 0 H GLU A 61 2.134 -7.371 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 61 3.354 -9.687 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.318 -6.829 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.281 -8.290 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.607 -8.562 -13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.723 -7.052 -13.314 1.00 0.00 H new ATOM 996 N GLY A 62 1.850 -7.696 -9.238 1.00 0.00 N ATOM 997 CA GLY A 62 1.572 -7.406 -7.845 1.00 0.00 C ATOM 998 C GLY A 62 2.438 -6.285 -7.310 1.00 0.00 C ATOM 999 O GLY A 62 2.762 -5.348 -8.041 1.00 0.00 O ATOM 0 H GLY A 62 1.198 -7.283 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.522 -7.136 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.734 -8.304 -7.249 1.00 0.00 H new ATOM 1003 N PRO A 63 2.817 -6.354 -6.026 1.00 0.00 N ATOM 1004 CA PRO A 63 3.691 -5.358 -5.400 1.00 0.00 C ATOM 1005 C PRO A 63 5.037 -5.249 -6.116 1.00 0.00 C ATOM 1006 O PRO A 63 5.739 -6.248 -6.299 1.00 0.00 O ATOM 1007 CB PRO A 63 3.887 -5.886 -3.970 1.00 0.00 C ATOM 1008 CG PRO A 63 2.760 -6.838 -3.739 1.00 0.00 C ATOM 1009 CD PRO A 63 2.417 -7.413 -5.087 1.00 0.00 C ATOM 0 HA PRO A 63 3.258 -4.358 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.850 -6.385 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.868 -5.072 -3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.051 -7.624 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.901 -6.327 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.956 -8.341 -5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.354 -7.640 -5.168 1.00 0.00 H new ATOM 1017 N LEU A 64 5.382 -4.037 -6.534 1.00 0.00 N ATOM 1018 CA LEU A 64 6.642 -3.790 -7.228 1.00 0.00 C ATOM 1019 C LEU A 64 7.743 -3.506 -6.218 1.00 0.00 C ATOM 1020 O LEU A 64 7.917 -2.374 -5.769 1.00 0.00 O ATOM 1021 CB LEU A 64 6.500 -2.621 -8.205 1.00 0.00 C ATOM 1022 CG LEU A 64 5.315 -2.741 -9.167 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.181 -1.492 -10.023 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.478 -3.970 -10.042 1.00 0.00 C ATOM 0 H LEU A 64 4.805 -3.206 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 64 6.906 -4.680 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.398 -1.698 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.418 -2.536 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 64 4.403 -2.845 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.332 -1.603 -10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.023 -0.626 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.091 -1.351 -10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.630 -4.047 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.400 -3.887 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.521 -4.860 -9.415 1.00 0.00 H new ATOM 1036 N VAL A 65 8.478 -4.561 -5.882 1.00 0.00 N ATOM 1037 CA VAL A 65 9.477 -4.541 -4.817 1.00 0.00 C ATOM 1038 C VAL A 65 10.474 -3.392 -4.951 1.00 0.00 C ATOM 1039 O VAL A 65 10.751 -2.699 -3.976 1.00 0.00 O ATOM 1040 CB VAL A 65 10.244 -5.878 -4.763 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.380 -5.820 -3.753 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.293 -7.013 -4.431 1.00 0.00 C ATOM 0 H VAL A 65 8.396 -5.465 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 65 8.924 -4.389 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 65 10.681 -6.060 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.902 -6.777 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.077 -5.031 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.976 -5.611 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.845 -7.952 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.830 -6.828 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.520 -7.076 -5.197 1.00 0.00 H new ATOM 1052 N ASP A 66 11.007 -3.186 -6.150 1.00 0.00 N ATOM 1053 CA ASP A 66 12.034 -2.167 -6.357 1.00 0.00 C ATOM 1054 C ASP A 66 11.511 -0.774 -6.012 1.00 0.00 C ATOM 1055 O ASP A 66 12.122 -0.050 -5.222 1.00 0.00 O ATOM 1056 CB ASP A 66 12.538 -2.197 -7.794 1.00 0.00 C ATOM 1057 CG ASP A 66 13.698 -1.244 -8.022 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.456 -0.096 -8.453 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.858 -1.639 -7.767 1.00 0.00 O ATOM 0 H ASP A 66 10.749 -3.706 -6.989 1.00 0.00 H new ATOM 0 HA ASP A 66 12.864 -2.394 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.850 -3.211 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.721 -1.938 -8.468 1.00 0.00 H new ATOM 1064 N ASN A 67 10.373 -0.407 -6.590 1.00 0.00 N ATOM 1065 CA ASN A 67 9.757 0.886 -6.313 1.00 0.00 C ATOM 1066 C ASN A 67 9.365 0.981 -4.847 1.00 0.00 C ATOM 1067 O ASN A 67 9.420 2.054 -4.251 1.00 0.00 O ATOM 1068 CB ASN A 67 8.528 1.105 -7.196 1.00 0.00 C ATOM 1069 CG ASN A 67 8.879 1.343 -8.652 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.891 0.852 -9.153 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.040 2.092 -9.342 1.00 0.00 N ATOM 0 H ASN A 67 9.858 -0.986 -7.253 1.00 0.00 H new ATOM 0 HA ASN A 67 10.487 1.663 -6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.875 0.235 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.965 1.959 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.219 2.283 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.212 2.480 -8.889 1.00 0.00 H new ATOM 1078 N LEU A 68 8.983 -0.155 -4.279 1.00 0.00 N ATOM 1079 CA LEU A 68 8.598 -0.233 -2.876 1.00 0.00 C ATOM 1080 C LEU A 68 9.760 0.137 -1.966 1.00 0.00 C ATOM 1081 O LEU A 68 9.597 0.902 -1.021 1.00 0.00 O ATOM 1082 CB LEU A 68 8.077 -1.634 -2.551 1.00 0.00 C ATOM 1083 CG LEU A 68 6.609 -1.857 -2.910 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.277 -3.337 -2.925 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.714 -1.130 -1.924 1.00 0.00 C ATOM 0 H LEU A 68 8.931 -1.045 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 68 7.799 0.487 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.684 -2.367 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.211 -1.821 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 68 6.435 -1.457 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.227 -3.472 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.900 -3.842 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.466 -3.762 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.670 -1.296 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.897 -1.509 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.931 -0.062 -1.955 1.00 0.00 H new ATOM 1097 N VAL A 69 10.932 -0.392 -2.271 1.00 0.00 N ATOM 1098 CA VAL A 69 12.132 -0.091 -1.510 1.00 0.00 C ATOM 1099 C VAL A 69 12.555 1.357 -1.711 1.00 0.00 C ATOM 1100 O VAL A 69 12.816 2.070 -0.751 1.00 0.00 O ATOM 1101 CB VAL A 69 13.287 -1.020 -1.906 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.538 -0.684 -1.117 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.897 -2.468 -1.691 1.00 0.00 C ATOM 0 H VAL A 69 11.079 -1.037 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 69 11.896 -0.251 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 69 13.500 -0.872 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.345 -1.354 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.830 0.347 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.339 -0.803 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.727 -3.115 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.657 -2.628 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.026 -2.705 -2.302 1.00 0.00 H new ATOM 1113 N HIS A 70 12.584 1.803 -2.959 1.00 0.00 N ATOM 1114 CA HIS A 70 13.023 3.165 -3.266 1.00 0.00 C ATOM 1115 C HIS A 70 12.055 4.202 -2.703 1.00 0.00 C ATOM 1116 O HIS A 70 12.397 5.376 -2.561 1.00 0.00 O ATOM 1117 CB HIS A 70 13.189 3.354 -4.775 1.00 0.00 C ATOM 1118 CG HIS A 70 14.430 2.707 -5.312 1.00 0.00 C ATOM 1119 ND1 HIS A 70 15.624 3.377 -5.462 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.664 1.439 -5.715 1.00 0.00 C ATOM 1121 CE1 HIS A 70 16.535 2.547 -5.932 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.980 1.362 -6.092 1.00 0.00 N ATOM 0 H HIS A 70 12.312 1.250 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 70 13.991 3.315 -2.788 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.320 2.940 -5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 70 13.214 4.420 -5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 70 13.946 0.633 -5.736 1.00 0.00 H new ATOM 0 HE1 HIS A 70 17.563 2.796 -6.149 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.451 0.527 -6.439 1.00 0.00 H new ATOM 1131 N GLN A 71 10.856 3.751 -2.382 1.00 0.00 N ATOM 1132 CA GLN A 71 9.839 4.608 -1.795 1.00 0.00 C ATOM 1133 C GLN A 71 9.937 4.578 -0.271 1.00 0.00 C ATOM 1134 O GLN A 71 10.165 5.602 0.374 1.00 0.00 O ATOM 1135 CB GLN A 71 8.454 4.120 -2.219 1.00 0.00 C ATOM 1136 CG GLN A 71 7.419 5.222 -2.369 1.00 0.00 C ATOM 1137 CD GLN A 71 7.660 6.092 -3.589 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.299 7.265 -3.610 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.271 5.523 -4.620 1.00 0.00 N ATOM 0 H GLN A 71 10.559 2.785 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 71 9.996 5.629 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.543 3.591 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.095 3.399 -1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.427 4.776 -2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.427 5.846 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.557 4.545 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.455 6.063 -5.465 1.00 0.00 H new ATOM 1148 N LEU A 72 9.766 3.386 0.288 1.00 0.00 N ATOM 1149 CA LEU A 72 9.693 3.200 1.735 1.00 0.00 C ATOM 1150 C LEU A 72 11.025 3.452 2.434 1.00 0.00 C ATOM 1151 O LEU A 72 11.054 4.046 3.510 1.00 0.00 O ATOM 1152 CB LEU A 72 9.198 1.793 2.059 1.00 0.00 C ATOM 1153 CG LEU A 72 7.746 1.515 1.674 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.415 0.045 1.880 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.797 2.386 2.481 1.00 0.00 C ATOM 0 H LEU A 72 9.674 2.522 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 72 8.988 3.941 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.838 1.073 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.314 1.621 3.129 1.00 0.00 H new ATOM 0 HG LEU A 72 7.621 1.758 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.377 -0.137 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.070 -0.566 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.561 -0.217 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.769 2.171 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.925 2.176 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.016 3.437 2.290 1.00 0.00 H new ATOM 1167 N ALA A 73 12.124 3.007 1.829 1.00 0.00 N ATOM 1168 CA ALA A 73 13.455 3.151 2.425 1.00 0.00 C ATOM 1169 C ALA A 73 13.961 4.593 2.381 1.00 0.00 C ATOM 1170 O ALA A 73 15.163 4.840 2.257 1.00 0.00 O ATOM 1171 CB ALA A 73 14.434 2.227 1.729 1.00 0.00 C ATOM 0 H ALA A 73 12.121 2.541 0.922 1.00 0.00 H new ATOM 0 HA ALA A 73 13.374 2.875 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.421 2.339 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.101 1.195 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.485 2.482 0.670 1.00 0.00 H new ATOM 1177 N HIS A 74 13.041 5.535 2.495 1.00 0.00 N ATOM 1178 CA HIS A 74 13.367 6.951 2.483 1.00 0.00 C ATOM 1179 C HIS A 74 14.058 7.338 3.792 1.00 0.00 C ATOM 1180 O HIS A 74 13.410 7.747 4.757 1.00 0.00 O ATOM 1181 CB HIS A 74 12.087 7.782 2.274 1.00 0.00 C ATOM 1182 CG HIS A 74 12.324 9.255 2.141 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.868 10.173 3.058 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.965 9.968 1.184 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.218 11.384 2.676 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.885 11.288 1.543 1.00 0.00 N ATOM 0 H HIS A 74 12.045 5.340 2.599 1.00 0.00 H new ATOM 0 HA HIS A 74 14.050 7.157 1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.578 7.425 1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.414 7.608 3.114 1.00 0.00 H new ATOM 0 HD1 HIS A 74 11.341 9.951 3.902 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.448 9.571 0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.996 12.301 3.202 1.00 0.00 H new ATOM 1195 N GLY A 75 15.376 7.177 3.819 1.00 0.00 N ATOM 1196 CA GLY A 75 16.145 7.498 5.004 1.00 0.00 C ATOM 1197 C GLY A 75 16.378 6.289 5.890 1.00 0.00 C ATOM 1198 O GLY A 75 16.548 6.428 7.105 1.00 0.00 O ATOM 0 H GLY A 75 15.927 6.828 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.106 7.917 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.624 8.267 5.574 1.00 0.00 H new ATOM 1202 N ARG A 76 16.382 5.103 5.289 1.00 0.00 N ATOM 1203 CA ARG A 76 16.602 3.862 6.032 1.00 0.00 C ATOM 1204 C ARG A 76 17.296 2.816 5.167 1.00 0.00 C ATOM 1205 O ARG A 76 17.413 2.983 3.950 1.00 0.00 O ATOM 1206 CB ARG A 76 15.280 3.296 6.557 1.00 0.00 C ATOM 1207 CG ARG A 76 14.962 3.703 7.986 1.00 0.00 C ATOM 1208 CD ARG A 76 13.912 2.796 8.597 1.00 0.00 C ATOM 1209 NE ARG A 76 13.547 3.202 9.951 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.127 2.357 10.892 1.00 0.00 C ATOM 1211 NH1 ARG A 76 13.019 1.059 10.626 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.810 2.807 12.097 1.00 0.00 N ATOM 0 H ARG A 76 16.235 4.973 4.288 1.00 0.00 H new ATOM 0 HA ARG A 76 17.247 4.102 6.877 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.470 3.627 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.312 2.208 6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.871 3.667 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.609 4.734 8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.022 2.799 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.286 1.772 8.616 1.00 0.00 H new ATOM 0 HE ARG A 76 13.618 4.191 10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.258 0.707 9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.697 0.415 11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.887 3.802 12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.489 2.158 12.815 1.00 0.00 H new ATOM 1226 N ASP A 77 17.755 1.744 5.814 1.00 0.00 N ATOM 1227 CA ASP A 77 18.414 0.633 5.135 1.00 0.00 C ATOM 1228 C ASP A 77 17.481 -0.029 4.139 1.00 0.00 C ATOM 1229 O ASP A 77 16.566 -0.765 4.516 1.00 0.00 O ATOM 1230 CB ASP A 77 18.899 -0.410 6.144 1.00 0.00 C ATOM 1231 CG ASP A 77 19.950 0.130 7.088 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.102 0.327 6.650 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.635 0.349 8.276 1.00 0.00 O ATOM 0 H ASP A 77 17.679 1.624 6.824 1.00 0.00 H new ATOM 0 HA ASP A 77 19.271 1.041 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.049 -0.771 6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.306 -1.267 5.607 1.00 0.00 H new ATOM 1238 N ALA A 78 17.738 0.234 2.868 1.00 0.00 N ATOM 1239 CA ALA A 78 16.939 -0.297 1.775 1.00 0.00 C ATOM 1240 C ALA A 78 16.883 -1.819 1.797 1.00 0.00 C ATOM 1241 O ALA A 78 15.871 -2.416 1.436 1.00 0.00 O ATOM 1242 CB ALA A 78 17.509 0.181 0.456 1.00 0.00 C ATOM 0 H ALA A 78 18.511 0.825 2.564 1.00 0.00 H new ATOM 0 HA ALA A 78 15.919 0.068 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.911 -0.216 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.490 1.270 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.537 -0.167 0.357 1.00 0.00 H new ATOM 1248 N GLU A 79 17.971 -2.437 2.233 1.00 0.00 N ATOM 1249 CA GLU A 79 18.056 -3.890 2.269 1.00 0.00 C ATOM 1250 C GLU A 79 17.044 -4.478 3.250 1.00 0.00 C ATOM 1251 O GLU A 79 16.357 -5.449 2.932 1.00 0.00 O ATOM 1252 CB GLU A 79 19.472 -4.338 2.625 1.00 0.00 C ATOM 1253 CG GLU A 79 20.502 -3.962 1.572 1.00 0.00 C ATOM 1254 CD GLU A 79 21.846 -4.615 1.803 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.554 -4.209 2.746 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.207 -5.531 1.035 1.00 0.00 O ATOM 0 H GLU A 79 18.806 -1.956 2.566 1.00 0.00 H new ATOM 0 HA GLU A 79 17.815 -4.264 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.758 -3.894 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.480 -5.419 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.129 -4.248 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.627 -2.879 1.563 1.00 0.00 H new ATOM 1263 N GLU A 80 16.937 -3.876 4.432 1.00 0.00 N ATOM 1264 CA GLU A 80 15.953 -4.310 5.415 1.00 0.00 C ATOM 1265 C GLU A 80 14.547 -4.068 4.882 1.00 0.00 C ATOM 1266 O GLU A 80 13.660 -4.912 5.020 1.00 0.00 O ATOM 1267 CB GLU A 80 16.137 -3.566 6.735 1.00 0.00 C ATOM 1268 CG GLU A 80 15.056 -3.894 7.750 1.00 0.00 C ATOM 1269 CD GLU A 80 15.242 -3.185 9.070 1.00 0.00 C ATOM 1270 OE1 GLU A 80 14.701 -2.073 9.235 1.00 0.00 O ATOM 1271 OE2 GLU A 80 15.916 -3.745 9.957 1.00 0.00 O ATOM 0 H GLU A 80 17.517 -3.091 4.729 1.00 0.00 H new ATOM 0 HA GLU A 80 16.097 -5.375 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.111 -3.816 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.137 -2.493 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.084 -3.626 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.043 -4.970 7.922 1.00 0.00 H new ATOM 1278 N VAL A 81 14.364 -2.905 4.272 1.00 0.00 N ATOM 1279 CA VAL A 81 13.088 -2.526 3.687 1.00 0.00 C ATOM 1280 C VAL A 81 12.631 -3.540 2.637 1.00 0.00 C ATOM 1281 O VAL A 81 11.481 -3.977 2.655 1.00 0.00 O ATOM 1282 CB VAL A 81 13.171 -1.120 3.074 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.879 -0.743 2.371 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.496 -0.121 4.163 1.00 0.00 C ATOM 0 H VAL A 81 15.094 -2.200 4.170 1.00 0.00 H new ATOM 0 HA VAL A 81 12.347 -2.516 4.487 1.00 0.00 H new ATOM 0 HB VAL A 81 13.961 -1.112 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.973 0.258 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.678 -1.456 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.057 -0.759 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.556 0.879 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.714 -0.143 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.452 -0.378 4.619 1.00 0.00 H new ATOM 1294 N ARG A 82 13.538 -3.918 1.735 1.00 0.00 N ATOM 1295 CA ARG A 82 13.244 -4.930 0.725 1.00 0.00 C ATOM 1296 C ARG A 82 12.821 -6.236 1.386 1.00 0.00 C ATOM 1297 O ARG A 82 11.840 -6.857 0.980 1.00 0.00 O ATOM 1298 CB ARG A 82 14.464 -5.175 -0.162 1.00 0.00 C ATOM 1299 CG ARG A 82 14.134 -5.987 -1.399 1.00 0.00 C ATOM 1300 CD ARG A 82 15.363 -6.242 -2.249 1.00 0.00 C ATOM 1301 NE ARG A 82 15.034 -6.967 -3.478 1.00 0.00 N ATOM 1302 CZ ARG A 82 15.393 -6.576 -4.703 1.00 0.00 C ATOM 1303 NH1 ARG A 82 16.104 -5.469 -4.879 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.040 -7.303 -5.755 1.00 0.00 N ATOM 0 H ARG A 82 14.483 -3.537 1.685 1.00 0.00 H new ATOM 0 HA ARG A 82 12.425 -4.562 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.887 -4.217 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.229 -5.694 0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.693 -6.939 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.386 -5.460 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.833 -5.292 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.091 -6.814 -1.673 1.00 0.00 H new ATOM 0 HE ARG A 82 14.494 -7.828 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.382 -4.908 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.373 -5.180 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.497 -8.157 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.312 -7.008 -6.693 1.00 0.00 H new ATOM 1318 N THR A 83 13.563 -6.629 2.411 1.00 0.00 N ATOM 1319 CA THR A 83 13.278 -7.849 3.150 1.00 0.00 C ATOM 1320 C THR A 83 11.871 -7.812 3.754 1.00 0.00 C ATOM 1321 O THR A 83 11.068 -8.724 3.549 1.00 0.00 O ATOM 1322 CB THR A 83 14.326 -8.042 4.265 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.596 -8.370 3.687 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.908 -9.120 5.250 1.00 0.00 C ATOM 0 H THR A 83 14.375 -6.114 2.752 1.00 0.00 H new ATOM 0 HA THR A 83 13.327 -8.689 2.457 1.00 0.00 H new ATOM 0 HB THR A 83 14.405 -7.105 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.023 -7.554 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.672 -9.226 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.962 -8.842 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.789 -10.067 4.724 1.00 0.00 H new ATOM 1332 N GLU A 84 11.585 -6.742 4.490 1.00 0.00 N ATOM 1333 CA GLU A 84 10.282 -6.561 5.127 1.00 0.00 C ATOM 1334 C GLU A 84 9.144 -6.597 4.109 1.00 0.00 C ATOM 1335 O GLU A 84 8.098 -7.199 4.364 1.00 0.00 O ATOM 1336 CB GLU A 84 10.240 -5.252 5.909 1.00 0.00 C ATOM 1337 CG GLU A 84 10.999 -5.310 7.221 1.00 0.00 C ATOM 1338 CD GLU A 84 10.393 -6.302 8.193 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.796 -7.480 8.180 1.00 0.00 O ATOM 1340 OE2 GLU A 84 9.504 -5.906 8.975 1.00 0.00 O ATOM 0 H GLU A 84 12.243 -5.981 4.661 1.00 0.00 H new ATOM 0 HA GLU A 84 10.143 -7.393 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.656 -4.455 5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.201 -4.990 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.036 -5.583 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.010 -4.320 7.676 1.00 0.00 H new ATOM 1347 N VAL A 85 9.348 -5.944 2.970 1.00 0.00 N ATOM 1348 CA VAL A 85 8.376 -5.972 1.885 1.00 0.00 C ATOM 1349 C VAL A 85 8.136 -7.401 1.400 1.00 0.00 C ATOM 1350 O VAL A 85 6.994 -7.852 1.314 1.00 0.00 O ATOM 1351 CB VAL A 85 8.845 -5.102 0.698 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.028 -5.400 -0.546 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.754 -3.627 1.053 1.00 0.00 C ATOM 0 H VAL A 85 10.180 -5.388 2.775 1.00 0.00 H new ATOM 0 HA VAL A 85 7.443 -5.567 2.276 1.00 0.00 H new ATOM 0 HB VAL A 85 9.886 -5.346 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.377 -4.775 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.143 -6.450 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.977 -5.189 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.088 -3.028 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.721 -3.373 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.387 -3.421 1.916 1.00 0.00 H new ATOM 1363 N LEU A 86 9.221 -8.108 1.103 1.00 0.00 N ATOM 1364 CA LEU A 86 9.147 -9.475 0.594 1.00 0.00 C ATOM 1365 C LEU A 86 8.415 -10.393 1.566 1.00 0.00 C ATOM 1366 O LEU A 86 7.744 -11.339 1.155 1.00 0.00 O ATOM 1367 CB LEU A 86 10.548 -10.016 0.332 1.00 0.00 C ATOM 1368 CG LEU A 86 11.287 -9.355 -0.824 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.757 -9.724 -0.782 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.670 -9.767 -2.148 1.00 0.00 C ATOM 0 H LEU A 86 10.172 -7.753 1.207 1.00 0.00 H new ATOM 0 HA LEU A 86 8.586 -9.451 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.142 -9.898 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.477 -11.086 0.134 1.00 0.00 H new ATOM 0 HG LEU A 86 11.198 -8.273 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.276 -9.246 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.190 -9.386 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.863 -10.806 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.208 -9.287 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.734 -10.850 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.624 -9.461 -2.173 1.00 0.00 H new ATOM 1382 N LYS A 87 8.533 -10.094 2.853 1.00 0.00 N ATOM 1383 CA LYS A 87 7.874 -10.879 3.894 1.00 0.00 C ATOM 1384 C LYS A 87 6.369 -10.619 3.907 1.00 0.00 C ATOM 1385 O LYS A 87 5.621 -11.275 4.631 1.00 0.00 O ATOM 1386 CB LYS A 87 8.484 -10.557 5.262 1.00 0.00 C ATOM 1387 CG LYS A 87 9.884 -11.125 5.446 1.00 0.00 C ATOM 1388 CD LYS A 87 10.601 -10.508 6.640 1.00 0.00 C ATOM 1389 CE LYS A 87 9.836 -10.703 7.939 1.00 0.00 C ATOM 1390 NZ LYS A 87 10.484 -9.986 9.069 1.00 0.00 N ATOM 0 H LYS A 87 9.082 -9.309 3.205 1.00 0.00 H new ATOM 0 HA LYS A 87 8.031 -11.936 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.519 -9.475 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.834 -10.951 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.822 -12.205 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.468 -10.949 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.592 -10.952 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.745 -9.442 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.814 -10.344 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.775 -11.767 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.995 -10.223 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.481 -10.273 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.429 -8.960 8.906 1.00 0.00 H new ATOM 1404 N CYS A 88 5.935 -9.661 3.104 1.00 0.00 N ATOM 1405 CA CYS A 88 4.520 -9.350 2.968 1.00 0.00 C ATOM 1406 C CYS A 88 4.012 -9.693 1.568 1.00 0.00 C ATOM 1407 O CYS A 88 2.804 -9.746 1.333 1.00 0.00 O ATOM 1408 CB CYS A 88 4.269 -7.875 3.279 1.00 0.00 C ATOM 1409 SG CYS A 88 4.129 -7.516 5.060 1.00 0.00 S ATOM 0 H CYS A 88 6.548 -9.080 2.532 1.00 0.00 H new ATOM 0 HA CYS A 88 3.969 -9.960 3.684 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.081 -7.281 2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.353 -7.558 2.780 1.00 0.00 H new ATOM 1414 N VAL A 89 4.936 -9.928 0.640 1.00 0.00 N ATOM 1415 CA VAL A 89 4.578 -10.273 -0.727 1.00 0.00 C ATOM 1416 C VAL A 89 4.327 -11.772 -0.857 1.00 0.00 C ATOM 1417 O VAL A 89 5.136 -12.585 -0.401 1.00 0.00 O ATOM 1418 CB VAL A 89 5.687 -9.876 -1.723 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.279 -10.237 -3.138 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.009 -8.396 -1.633 1.00 0.00 C ATOM 0 H VAL A 89 5.940 -9.885 0.814 1.00 0.00 H new ATOM 0 HA VAL A 89 3.670 -9.719 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 89 6.586 -10.432 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.072 -9.951 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.110 -11.312 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.362 -9.708 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.794 -8.150 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.116 -7.815 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.349 -8.158 -0.625 1.00 0.00 H new ATOM 1430 N ASP A 90 3.211 -12.132 -1.474 1.00 0.00 N ATOM 1431 CA ASP A 90 2.908 -13.529 -1.765 1.00 0.00 C ATOM 1432 C ASP A 90 1.859 -13.632 -2.873 1.00 0.00 C ATOM 1433 O ASP A 90 1.417 -12.613 -3.411 1.00 0.00 O ATOM 1434 CB ASP A 90 2.452 -14.282 -0.501 1.00 0.00 C ATOM 1435 CG ASP A 90 1.031 -13.966 -0.075 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.247 -14.921 0.113 1.00 0.00 O ATOM 1437 OD2 ASP A 90 0.691 -12.776 0.086 1.00 0.00 O ATOM 0 H ASP A 90 2.496 -11.474 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 90 3.824 -14.004 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.538 -15.354 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.129 -14.039 0.318 1.00 0.00 H new ATOM 1442 N LYS A 91 1.469 -14.859 -3.205 1.00 0.00 N ATOM 1443 CA LYS A 91 0.612 -15.124 -4.362 1.00 0.00 C ATOM 1444 C LYS A 91 -0.825 -14.656 -4.146 1.00 0.00 C ATOM 1445 O LYS A 91 -1.326 -14.608 -3.018 1.00 0.00 O ATOM 1446 CB LYS A 91 0.611 -16.616 -4.692 1.00 0.00 C ATOM 1447 CG LYS A 91 1.995 -17.237 -4.702 1.00 0.00 C ATOM 1448 CD LYS A 91 1.972 -18.692 -5.157 1.00 0.00 C ATOM 1449 CE LYS A 91 1.893 -18.833 -6.677 1.00 0.00 C ATOM 1450 NZ LYS A 91 0.603 -18.352 -7.244 1.00 0.00 N ATOM 0 H LYS A 91 1.735 -15.695 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 91 1.027 -14.556 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.008 -17.140 -3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.149 -16.763 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.644 -16.662 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.425 -17.178 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.868 -19.196 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.118 -19.197 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.712 -18.275 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.033 -19.880 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.421 -18.831 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.169 -18.563 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.654 -17.325 -7.400 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.482 -14.328 -5.256 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.867 -13.863 -5.251 1.00 0.00 C ATOM 1466 C ASN A 92 -3.846 -15.014 -5.043 1.00 0.00 C ATOM 1467 O ASN A 92 -4.667 -15.315 -5.910 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.189 -13.116 -6.555 1.00 0.00 C ATOM 1469 CG ASN A 92 -2.513 -13.689 -7.794 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -1.355 -13.386 -8.084 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -3.242 -14.497 -8.553 1.00 0.00 N ATOM 0 H ASN A 92 -1.068 -14.377 -6.187 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.980 -13.175 -4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.268 -13.126 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.892 -12.073 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.846 -14.889 -9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.198 -14.726 -8.282 1.00 0.00 H new ATOM 1478 N THR A 93 -3.764 -15.632 -3.877 1.00 0.00 N ATOM 1479 CA THR A 93 -4.572 -16.798 -3.541 1.00 0.00 C ATOM 1480 C THR A 93 -6.068 -16.479 -3.479 1.00 0.00 C ATOM 1481 O THR A 93 -6.902 -17.367 -3.650 1.00 0.00 O ATOM 1482 CB THR A 93 -4.120 -17.384 -2.195 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.062 -16.339 -1.218 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.753 -18.031 -2.321 1.00 0.00 C ATOM 0 H THR A 93 -3.133 -15.340 -3.131 1.00 0.00 H new ATOM 0 HA THR A 93 -4.422 -17.526 -4.338 1.00 0.00 H new ATOM 0 HB THR A 93 -4.838 -18.144 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.775 -16.711 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.453 -18.439 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.797 -18.834 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.026 -17.285 -2.641 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.406 -15.215 -3.238 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.808 -14.795 -3.199 1.00 0.00 C ATOM 1494 C ASP A 94 -8.345 -14.581 -4.608 1.00 0.00 C ATOM 1495 O ASP A 94 -9.544 -14.382 -4.804 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.986 -13.511 -2.380 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.966 -13.758 -0.884 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -9.039 -14.013 -0.301 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.878 -13.689 -0.282 1.00 0.00 O ATOM 0 H ASP A 94 -5.735 -14.466 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.373 -15.593 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.193 -12.809 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.930 -13.040 -2.653 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.432 -14.619 -5.582 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.759 -14.432 -6.997 1.00 0.00 C ATOM 1506 C ASN A 95 -8.471 -13.103 -7.234 1.00 0.00 C ATOM 1507 O ASN A 95 -9.185 -12.931 -8.225 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.616 -15.588 -7.520 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.882 -16.912 -7.525 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.197 -17.254 -8.488 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -8.034 -17.679 -6.459 1.00 0.00 N ATOM 0 H ASN A 95 -6.440 -14.781 -5.410 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.818 -14.418 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.511 -15.677 -6.904 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.947 -15.358 -8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.575 -18.589 -6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.610 -17.361 -5.680 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.253 -12.163 -6.326 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.916 -10.868 -6.367 1.00 0.00 C ATOM 1520 C ASN A 96 -7.882 -9.772 -6.135 1.00 0.00 C ATOM 1521 O ASN A 96 -7.249 -9.717 -5.078 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.035 -10.840 -5.305 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.723 -9.487 -5.130 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.142 -8.428 -5.348 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.977 -9.521 -4.710 1.00 0.00 N ATOM 0 H ASN A 96 -7.612 -12.276 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.374 -10.697 -7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.788 -11.582 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.614 -11.144 -4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.488 -8.651 -4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.433 -10.417 -4.537 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.716 -8.915 -7.137 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.687 -7.877 -7.126 1.00 0.00 C ATOM 1534 C ALA A 97 -6.878 -6.884 -5.986 1.00 0.00 C ATOM 1535 O ALA A 97 -5.902 -6.395 -5.416 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.668 -7.144 -8.458 1.00 0.00 C ATOM 0 H ALA A 97 -8.290 -8.919 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.730 -8.373 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.898 -6.373 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.453 -7.851 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.639 -6.682 -8.633 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.127 -6.588 -5.647 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.413 -5.658 -4.560 1.00 0.00 C ATOM 1544 C CYS A 98 -7.899 -6.212 -3.239 1.00 0.00 C ATOM 1545 O CYS A 98 -7.275 -5.496 -2.457 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.913 -5.363 -4.448 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.656 -4.632 -5.942 1.00 0.00 S ATOM 0 H CYS A 98 -8.953 -6.975 -6.105 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.899 -4.724 -4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.436 -6.291 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -10.075 -4.686 -3.609 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.127 -7.499 -3.008 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.733 -8.117 -1.750 1.00 0.00 C ATOM 1554 C HIS A 99 -6.233 -8.402 -1.758 1.00 0.00 C ATOM 1555 O HIS A 99 -5.592 -8.439 -0.712 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.518 -9.413 -1.522 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.647 -9.806 -0.079 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.864 -9.938 0.550 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.712 -10.105 0.854 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.674 -10.296 1.804 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.376 -10.404 2.017 1.00 0.00 N ATOM 0 H HIS A 99 -8.579 -8.130 -3.670 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.959 -7.429 -0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.515 -9.301 -1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.029 -10.222 -2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.642 -10.108 0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.450 -10.471 2.534 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.939 -10.666 2.900 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.687 -8.590 -2.952 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.264 -8.878 -3.117 1.00 0.00 C ATOM 1572 C TRP A 100 -3.427 -7.655 -2.753 1.00 0.00 C ATOM 1573 O TRP A 100 -2.515 -7.733 -1.927 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.978 -9.313 -4.561 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.570 -9.778 -4.797 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.659 -10.167 -3.855 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.921 -9.928 -6.067 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.485 -10.534 -4.460 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.619 -10.401 -5.815 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.312 -9.706 -7.391 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.291 -10.656 -6.838 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.410 -9.961 -8.404 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.121 -10.432 -8.124 1.00 0.00 C ATOM 0 H TRP A 100 -6.210 -8.548 -3.827 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.992 -9.693 -2.446 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.664 -10.117 -4.829 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.189 -8.478 -5.229 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.838 -10.183 -2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.354 -10.855 -3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.303 -9.341 -7.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.286 -11.018 -6.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.703 -9.795 -9.430 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.562 -10.622 -8.939 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.755 -6.523 -3.363 1.00 0.00 N ATOM 1595 CA ALA A 101 -3.059 -5.273 -3.092 1.00 0.00 C ATOM 1596 C ALA A 101 -3.247 -4.861 -1.641 1.00 0.00 C ATOM 1597 O ALA A 101 -2.318 -4.374 -0.991 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.566 -4.182 -4.018 1.00 0.00 C ATOM 0 H ALA A 101 -4.503 -6.446 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.994 -5.422 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.039 -3.252 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.389 -4.472 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.635 -4.038 -3.859 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.453 -5.074 -1.137 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.775 -4.732 0.235 1.00 0.00 C ATOM 1606 C PHE A 102 -3.977 -5.591 1.208 1.00 0.00 C ATOM 1607 O PHE A 102 -3.587 -5.124 2.272 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.270 -4.893 0.492 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.691 -4.477 1.877 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.741 -3.135 2.218 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.042 -5.420 2.832 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.131 -2.739 3.484 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.432 -5.031 4.099 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.477 -3.689 4.425 1.00 0.00 C ATOM 0 H PHE A 102 -5.226 -5.484 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.505 -3.688 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.822 -4.302 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.547 -5.935 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.472 -2.389 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.010 -6.470 2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.165 -1.689 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.701 -5.775 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.782 -3.383 5.415 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.719 -6.844 0.827 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.982 -7.762 1.683 1.00 0.00 C ATOM 1626 C ARG A 103 -1.566 -7.259 1.901 1.00 0.00 C ATOM 1627 O ARG A 103 -1.070 -7.239 3.025 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.916 -9.161 1.077 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.236 -10.151 2.009 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.947 -11.490 1.344 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.149 -12.135 0.834 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.121 -13.090 -0.085 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.964 -13.434 -0.635 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -4.236 -13.699 -0.462 1.00 0.00 N ATOM 0 H ARG A 103 -4.010 -7.241 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.512 -7.813 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.925 -9.507 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.375 -9.122 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.301 -9.721 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.868 -10.314 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.244 -11.340 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.462 -12.151 2.062 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.053 -11.838 1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.104 -12.965 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.934 -14.168 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.128 -13.434 -0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.202 -14.432 -1.170 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.924 -6.846 0.813 1.00 0.00 N ATOM 1649 CA GLY A 104 0.437 -6.359 0.897 1.00 0.00 C ATOM 1650 C GLY A 104 0.545 -5.149 1.799 1.00 0.00 C ATOM 1651 O GLY A 104 1.443 -5.060 2.636 1.00 0.00 O ATOM 0 H GLY A 104 -1.324 -6.841 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.084 -7.151 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.794 -6.102 -0.100 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.397 -4.232 1.638 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.425 -3.013 2.427 1.00 0.00 C ATOM 1657 C PHE A 105 -0.745 -3.320 3.891 1.00 0.00 C ATOM 1658 O PHE A 105 -0.062 -2.847 4.797 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.450 -2.046 1.828 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.724 -0.838 2.676 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -3.023 -0.473 2.994 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.678 -0.065 3.154 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.271 0.639 3.770 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.923 1.048 3.932 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.220 1.401 4.240 1.00 0.00 C ATOM 0 H PHE A 105 -1.157 -4.312 0.962 1.00 0.00 H new ATOM 0 HA PHE A 105 0.559 -2.545 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.095 -1.718 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.385 -2.581 1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.849 -1.066 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.340 -0.336 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.287 0.914 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.099 1.642 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.413 2.272 4.848 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.762 -4.145 4.101 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.244 -4.479 5.440 1.00 0.00 C ATOM 1677 C LYS A 106 -1.177 -5.231 6.239 1.00 0.00 C ATOM 1678 O LYS A 106 -0.980 -4.968 7.427 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.549 -5.290 5.331 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.900 -6.135 6.543 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.318 -5.284 7.731 1.00 0.00 C ATOM 1682 CE LYS A 106 -4.906 -6.141 8.843 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.204 -6.757 8.447 1.00 0.00 N ATOM 0 H LYS A 106 -2.278 -4.603 3.350 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.454 -3.557 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.370 -4.599 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.477 -5.945 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.708 -6.819 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.041 -6.746 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -3.456 -4.734 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.052 -4.545 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.198 -6.926 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.052 -5.529 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.714 -7.069 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.779 -6.057 7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.026 -7.575 7.830 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.487 -6.150 5.574 1.00 0.00 N ATOM 1698 CA CYS A 107 0.583 -6.918 6.198 1.00 0.00 C ATOM 1699 C CYS A 107 1.725 -6.013 6.639 1.00 0.00 C ATOM 1700 O CYS A 107 2.261 -6.156 7.740 1.00 0.00 O ATOM 1701 CB CYS A 107 1.103 -7.982 5.222 1.00 0.00 C ATOM 1702 SG CYS A 107 2.674 -8.775 5.722 1.00 0.00 S ATOM 0 H CYS A 107 -0.652 -6.382 4.595 1.00 0.00 H new ATOM 0 HA CYS A 107 0.177 -7.407 7.083 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.342 -8.754 5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.239 -7.522 4.243 1.00 0.00 H new ATOM 1707 N PHE A 108 2.084 -5.071 5.778 1.00 0.00 N ATOM 1708 CA PHE A 108 3.253 -4.238 6.001 1.00 0.00 C ATOM 1709 C PHE A 108 2.980 -3.182 7.068 1.00 0.00 C ATOM 1710 O PHE A 108 3.765 -3.016 8.004 1.00 0.00 O ATOM 1711 CB PHE A 108 3.670 -3.582 4.688 1.00 0.00 C ATOM 1712 CG PHE A 108 5.062 -3.018 4.701 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.300 -1.713 5.102 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.136 -3.799 4.303 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.581 -1.200 5.107 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.417 -3.289 4.307 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.641 -1.990 4.709 1.00 0.00 C ATOM 0 H PHE A 108 1.579 -4.866 4.916 1.00 0.00 H new ATOM 0 HA PHE A 108 4.067 -4.867 6.362 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.594 -4.317 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.967 -2.782 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.474 -1.091 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.968 -4.818 3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.754 -0.182 5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.245 -3.908 3.995 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.644 -1.591 4.713 1.00 0.00 H new ATOM 1727 N GLN A 109 1.848 -2.493 6.943 1.00 0.00 N ATOM 1728 CA GLN A 109 1.491 -1.421 7.869 1.00 0.00 C ATOM 1729 C GLN A 109 1.195 -1.963 9.263 1.00 0.00 C ATOM 1730 O GLN A 109 1.084 -1.202 10.222 1.00 0.00 O ATOM 1731 CB GLN A 109 0.286 -0.632 7.339 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.024 -1.409 7.308 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.970 -1.018 8.429 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.967 0.122 8.895 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.782 -1.962 8.872 1.00 0.00 N ATOM 0 H GLN A 109 1.161 -2.659 6.208 1.00 0.00 H new ATOM 0 HA GLN A 109 2.347 -0.751 7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.151 0.256 7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.511 -0.287 6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.516 -1.243 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.810 -2.476 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.753 -2.894 8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.437 -1.758 9.627 1.00 0.00 H new ATOM 1744 N LYS A 110 1.077 -3.279 9.370 1.00 0.00 N ATOM 1745 CA LYS A 110 0.773 -3.919 10.635 1.00 0.00 C ATOM 1746 C LYS A 110 1.926 -3.764 11.624 1.00 0.00 C ATOM 1747 O LYS A 110 1.702 -3.628 12.826 1.00 0.00 O ATOM 1748 CB LYS A 110 0.458 -5.395 10.399 1.00 0.00 C ATOM 1749 CG LYS A 110 0.110 -6.152 11.662 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.472 -7.520 11.356 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.837 -8.258 12.631 1.00 0.00 C ATOM 1752 NZ LYS A 110 -1.743 -7.454 13.493 1.00 0.00 N ATOM 0 H LYS A 110 1.189 -3.925 8.589 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.099 -3.432 11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.374 -5.472 9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.318 -5.870 9.927 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.004 -6.266 12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.606 -5.575 12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.358 -7.410 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.250 -8.106 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.318 -9.203 12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.071 -8.500 13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.171 -8.068 14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.200 -6.699 13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.493 -7.032 12.909 1.00 0.00 H new ATOM 1766 N ASN A 111 3.154 -3.768 11.122 1.00 0.00 N ATOM 1767 CA ASN A 111 4.317 -3.648 11.995 1.00 0.00 C ATOM 1768 C ASN A 111 5.250 -2.530 11.526 1.00 0.00 C ATOM 1769 O ASN A 111 6.104 -2.069 12.280 1.00 0.00 O ATOM 1770 CB ASN A 111 5.059 -4.996 12.094 1.00 0.00 C ATOM 1771 CG ASN A 111 6.441 -5.001 11.456 1.00 0.00 C ATOM 1772 OD1 ASN A 111 7.437 -4.651 12.093 1.00 0.00 O ATOM 1773 ND2 ASN A 111 6.517 -5.434 10.209 1.00 0.00 N ATOM 0 H ASN A 111 3.371 -3.852 10.129 1.00 0.00 H new ATOM 0 HA ASN A 111 3.968 -3.380 12.992 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.156 -5.267 13.145 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.451 -5.767 11.621 1.00 0.00 H new ATOM 0 HD21 ASN A 111 7.422 -5.487 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.670 -5.715 9.714 1.00 0.00 H new ATOM 1780 N ASN A 112 5.067 -2.074 10.293 1.00 0.00 N ATOM 1781 CA ASN A 112 5.933 -1.041 9.733 1.00 0.00 C ATOM 1782 C ASN A 112 5.118 0.116 9.164 1.00 0.00 C ATOM 1783 O ASN A 112 5.277 0.485 8.002 1.00 0.00 O ATOM 1784 CB ASN A 112 6.829 -1.625 8.637 1.00 0.00 C ATOM 1785 CG ASN A 112 7.913 -2.537 9.176 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.500 -2.281 10.229 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.174 -3.623 8.466 1.00 0.00 N ATOM 0 H ASN A 112 4.332 -2.400 9.665 1.00 0.00 H new ATOM 0 HA ASN A 112 6.556 -0.661 10.543 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.213 -2.181 7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.292 -0.809 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.883 -4.283 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.666 -3.800 7.599 1.00 0.00 H new ATOM 1794 N LEU A 113 4.260 0.703 9.987 1.00 0.00 N ATOM 1795 CA LEU A 113 3.424 1.814 9.536 1.00 0.00 C ATOM 1796 C LEU A 113 4.193 3.129 9.606 1.00 0.00 C ATOM 1797 O LEU A 113 3.999 4.022 8.779 1.00 0.00 O ATOM 1798 CB LEU A 113 2.137 1.904 10.361 1.00 0.00 C ATOM 1799 CG LEU A 113 1.265 3.126 10.072 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.763 3.090 8.638 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.102 3.186 11.047 1.00 0.00 C ATOM 0 H LEU A 113 4.123 0.434 10.961 1.00 0.00 H new ATOM 0 HA LEU A 113 3.150 1.627 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.546 1.005 10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.401 1.908 11.418 1.00 0.00 H new ATOM 0 HG LEU A 113 1.868 4.025 10.201 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.144 3.966 8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.612 3.090 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.172 2.187 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.510 4.061 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.504 2.285 10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.484 3.255 12.065 1.00 0.00 H new ATOM 1813 N SER A 114 5.078 3.232 10.587 1.00 0.00 N ATOM 1814 CA SER A 114 5.898 4.422 10.765 1.00 0.00 C ATOM 1815 C SER A 114 6.764 4.664 9.531 1.00 0.00 C ATOM 1816 O SER A 114 6.976 5.806 9.121 1.00 0.00 O ATOM 1817 CB SER A 114 6.772 4.265 12.011 1.00 0.00 C ATOM 1818 OG SER A 114 7.586 5.403 12.219 1.00 0.00 O ATOM 0 H SER A 114 5.247 2.500 11.277 1.00 0.00 H new ATOM 0 HA SER A 114 5.246 5.285 10.897 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.139 4.105 12.883 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.401 3.381 11.907 1.00 0.00 H new ATOM 0 HG SER A 114 8.131 5.273 13.023 1.00 0.00 H new ATOM 1824 N LEU A 115 7.237 3.576 8.928 1.00 0.00 N ATOM 1825 CA LEU A 115 8.058 3.658 7.731 1.00 0.00 C ATOM 1826 C LEU A 115 7.246 4.210 6.571 1.00 0.00 C ATOM 1827 O LEU A 115 7.754 4.952 5.734 1.00 0.00 O ATOM 1828 CB LEU A 115 8.598 2.277 7.371 1.00 0.00 C ATOM 1829 CG LEU A 115 9.576 2.250 6.200 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.798 3.082 6.531 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.975 0.823 5.867 1.00 0.00 C ATOM 0 H LEU A 115 7.063 2.625 9.253 1.00 0.00 H new ATOM 0 HA LEU A 115 8.894 4.329 7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.093 1.858 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.757 1.625 7.137 1.00 0.00 H new ATOM 0 HG LEU A 115 9.087 2.676 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.492 3.059 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.496 4.111 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.286 2.675 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.673 0.826 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.452 0.367 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.087 0.250 5.598 1.00 0.00 H new ATOM 1843 N ILE A 116 5.971 3.853 6.545 1.00 0.00 N ATOM 1844 CA ILE A 116 5.075 4.287 5.491 1.00 0.00 C ATOM 1845 C ILE A 116 4.842 5.792 5.580 1.00 0.00 C ATOM 1846 O ILE A 116 4.773 6.489 4.567 1.00 0.00 O ATOM 1847 CB ILE A 116 3.727 3.538 5.573 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.958 2.027 5.500 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.794 3.986 4.461 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.684 1.215 5.550 1.00 0.00 C ATOM 0 H ILE A 116 5.533 3.259 7.249 1.00 0.00 H new ATOM 0 HA ILE A 116 5.541 4.056 4.533 1.00 0.00 H new ATOM 0 HB ILE A 116 3.257 3.776 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.491 1.794 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.603 1.726 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.851 3.446 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.608 5.056 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.253 3.778 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.926 0.154 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.159 1.418 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.046 1.487 4.709 1.00 0.00 H new ATOM 1862 N LYS A 117 4.749 6.288 6.808 1.00 0.00 N ATOM 1863 CA LYS A 117 4.574 7.713 7.049 1.00 0.00 C ATOM 1864 C LYS A 117 5.834 8.488 6.666 1.00 0.00 C ATOM 1865 O LYS A 117 5.757 9.607 6.162 1.00 0.00 O ATOM 1866 CB LYS A 117 4.222 7.967 8.518 1.00 0.00 C ATOM 1867 CG LYS A 117 2.825 7.485 8.897 1.00 0.00 C ATOM 1868 CD LYS A 117 2.495 7.791 10.353 1.00 0.00 C ATOM 1869 CE LYS A 117 1.084 7.353 10.716 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.740 7.691 12.121 1.00 0.00 N ATOM 0 H LYS A 117 4.792 5.721 7.655 1.00 0.00 H new ATOM 0 HA LYS A 117 3.752 8.065 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.955 7.468 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.298 9.035 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.088 7.961 8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.753 6.411 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.211 7.286 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.601 8.861 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.372 7.831 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.989 6.277 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.229 7.375 12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.403 7.215 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.805 8.720 12.256 1.00 0.00 H new ATOM 1884 N ALA A 118 6.993 7.888 6.914 1.00 0.00 N ATOM 1885 CA ALA A 118 8.272 8.503 6.571 1.00 0.00 C ATOM 1886 C ALA A 118 8.528 8.454 5.068 1.00 0.00 C ATOM 1887 O ALA A 118 9.206 9.322 4.512 1.00 0.00 O ATOM 1888 CB ALA A 118 9.390 7.800 7.313 1.00 0.00 C ATOM 0 H ALA A 118 7.074 6.971 7.354 1.00 0.00 H new ATOM 0 HA ALA A 118 8.238 9.551 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.344 8.261 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.224 7.885 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.408 6.747 7.031 1.00 0.00 H new ATOM 1894 N SER A 119 7.994 7.423 4.428 1.00 0.00 N ATOM 1895 CA SER A 119 8.123 7.237 2.989 1.00 0.00 C ATOM 1896 C SER A 119 7.596 8.451 2.222 1.00 0.00 C ATOM 1897 O SER A 119 8.262 8.971 1.326 1.00 0.00 O ATOM 1898 CB SER A 119 7.362 5.974 2.567 1.00 0.00 C ATOM 1899 OG SER A 119 7.513 5.709 1.187 1.00 0.00 O ATOM 0 H SER A 119 7.458 6.690 4.893 1.00 0.00 H new ATOM 0 HA SER A 119 9.180 7.126 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.723 5.122 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.304 6.091 2.801 1.00 0.00 H new ATOM 0 HG SER A 119 6.662 5.870 0.728 1.00 0.00 H new ATOM 1905 N ILE A 120 6.412 8.912 2.602 1.00 0.00 N ATOM 1906 CA ILE A 120 5.754 10.010 1.904 1.00 0.00 C ATOM 1907 C ILE A 120 6.118 11.365 2.508 1.00 0.00 C ATOM 1908 O ILE A 120 5.607 12.405 2.086 1.00 0.00 O ATOM 1909 CB ILE A 120 4.223 9.846 1.935 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.733 9.716 3.375 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.803 8.637 1.115 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.232 9.812 3.514 1.00 0.00 C ATOM 0 H ILE A 120 5.885 8.541 3.393 1.00 0.00 H new ATOM 0 HA ILE A 120 6.105 9.978 0.873 1.00 0.00 H new ATOM 0 HB ILE A 120 3.768 10.733 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.066 8.760 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.196 10.496 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.718 8.535 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.125 8.768 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.264 7.740 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.957 9.711 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.893 10.779 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.762 9.016 2.937 1.00 0.00 H new ATOM 1924 N LYS A 121 6.995 11.348 3.496 1.00 0.00 N ATOM 1925 CA LYS A 121 7.393 12.562 4.186 1.00 0.00 C ATOM 1926 C LYS A 121 8.576 13.223 3.489 1.00 0.00 C ATOM 1927 O LYS A 121 9.636 12.615 3.349 1.00 0.00 O ATOM 1928 CB LYS A 121 7.759 12.234 5.635 1.00 0.00 C ATOM 1929 CG LYS A 121 8.192 13.440 6.461 1.00 0.00 C ATOM 1930 CD LYS A 121 7.070 14.456 6.605 1.00 0.00 C ATOM 1931 CE LYS A 121 7.496 15.637 7.461 1.00 0.00 C ATOM 1932 NZ LYS A 121 7.884 15.217 8.835 1.00 0.00 N ATOM 0 H LYS A 121 7.448 10.501 3.840 1.00 0.00 H new ATOM 0 HA LYS A 121 6.555 13.259 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.900 11.767 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.564 11.499 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.512 13.108 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.053 13.913 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.769 14.810 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.199 13.977 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.335 16.145 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.679 16.357 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.921 16.051 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.183 14.543 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.819 14.763 8.808 1.00 0.00 H new ATOM 1946 N LYS A 122 8.393 14.461 3.048 1.00 0.00 N ATOM 1947 CA LYS A 122 9.503 15.236 2.508 1.00 0.00 C ATOM 1948 C LYS A 122 10.377 15.704 3.658 1.00 0.00 C ATOM 1949 O LYS A 122 10.099 16.717 4.302 1.00 0.00 O ATOM 1950 CB LYS A 122 9.025 16.442 1.693 1.00 0.00 C ATOM 1951 CG LYS A 122 7.591 16.344 1.198 1.00 0.00 C ATOM 1952 CD LYS A 122 7.204 17.539 0.335 1.00 0.00 C ATOM 1953 CE LYS A 122 7.989 17.581 -0.968 1.00 0.00 C ATOM 1954 NZ LYS A 122 7.571 18.718 -1.831 1.00 0.00 N ATOM 0 H LYS A 122 7.496 14.946 3.053 1.00 0.00 H new ATOM 0 HA LYS A 122 10.069 14.596 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.124 17.339 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.684 16.567 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.467 15.426 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.916 16.279 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.137 17.496 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.377 18.460 0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.053 17.664 -0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.847 16.645 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.129 18.711 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.561 18.625 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.730 19.613 -1.326 1.00 0.00 H new ATOM 1968 N ASP A 123 11.420 14.942 3.923 1.00 0.00 N ATOM 1969 CA ASP A 123 12.281 15.189 5.065 1.00 0.00 C ATOM 1970 C ASP A 123 13.458 16.063 4.665 1.00 0.00 C ATOM 1971 O ASP A 123 13.472 17.255 5.036 1.00 0.00 O ATOM 1972 CB ASP A 123 12.777 13.867 5.647 1.00 0.00 C ATOM 1973 CG ASP A 123 13.462 14.042 6.986 1.00 0.00 C ATOM 1974 OD1 ASP A 123 14.675 14.336 7.013 1.00 0.00 O ATOM 1975 OD2 ASP A 123 12.787 13.881 8.024 1.00 0.00 O ATOM 1976 OXT ASP A 123 14.354 15.563 3.959 1.00 0.00 O ATOM 0 H ASP A 123 11.694 14.139 3.357 1.00 0.00 H new ATOM 0 HA ASP A 123 11.705 15.714 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.934 13.185 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.471 13.403 4.946 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.724 6.797 2.245 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.973 5.529 1.914 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.864 5.836 0.916 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.113 4.567 0.506 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.436 3.967 1.709 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.187 4.274 1.968 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.513 5.311 1.125 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.784 5.771 1.790 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.943 5.282 1.414 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.016 4.305 0.271 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.405 3.721 0.189 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.576 2.427 0.072 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.392 1.512 -0.092 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.938 1.039 1.262 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.892 -0.243 1.526 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.402 -1.236 0.515 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.561 -2.605 1.166 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.821 -3.685 0.120 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.000 -5.050 0.784 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.096 -6.157 -0.260 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.955 6.813 2.095 1.00 0.00 O HETATM 2003 O2 ACD A 201 -4.087 7.781 2.662 1.00 0.00 O HETATM 0 H203 ACD A 201 3.183 -6.175 -0.856 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.950 -5.970 -0.911 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.223 -7.118 0.239 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.901 -5.045 1.397 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.161 -5.247 1.452 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.990 -3.724 -0.584 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.713 -3.435 -0.454 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.386 -2.579 1.878 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.661 -2.850 1.730 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.710 -1.301 -0.325 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.359 -0.901 0.114 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.581 2.035 -0.598 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.660 0.660 -0.717 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.284 3.510 0.413 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.766 4.805 -0.664 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.854 5.584 1.930 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.741 6.513 2.587 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.741 4.895 0.143 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.148 6.163 0.965 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.341 3.784 2.786 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.979 3.282 2.360 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.806 3.847 0.070 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.374 4.802 -0.260 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.290 6.310 0.032 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.165 6.548 1.354 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.550 5.098 2.821 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.656 4.788 1.497 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.485 -0.591 2.476 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.647 1.763 2.023 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.583 2.010 0.094 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.272 4.380 0.227 1.00 0.00 H new