USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 CYS SG : rot -24:sc= 0.271 USER MOD Set 1.2: A 71 HIS : no HE2:sc= -3.77! X(o=-3.5!,f=-3.8) USER MOD Set 2.1: A 30 CYS SG : rot -174:sc= 0.22 USER MOD Set 2.2: A 42 MET CE :methyl 167:sc= -2.72 (180deg=-3.62!) USER MOD Set 3.1: A 25 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.51) USER MOD Set 3.2: A 27 THR OG1 : rot 98:sc= 0.0243 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0924 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.72! C(o=-2.7!,f=-7.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0394 K(o=-0.039,f=-0.61) USER MOD Single : A 19 ASN : amide:sc= -0.685 K(o=-0.68,f=-1.4) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -170:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 160:sc= -0.502! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.026 K(o=-0.026,f=-0.72) USER MOD Single : A 53 MET CE :methyl -138:sc= -0.563 (180deg=-3.03!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -87:sc= 0.669 USER MOD Single : A 64 SER OG : rot 9:sc= -1.07 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 57:sc= 0.199 USER MOD Single : A 76 HIS : no HD1:sc= -0.0062 X(o=-0.0062,f=-0.11) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -67:sc= -0.386 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot -120:sc= -2.97 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.812 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 42:sc= 0.148 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.895 -25.038 -1.344 1.00 0.00 N ATOM 2 CA GLY A 1 -8.849 -25.037 -0.249 1.00 0.00 C ATOM 3 C GLY A 1 -8.202 -24.712 1.082 1.00 0.00 C ATOM 4 O GLY A 1 -6.992 -24.496 1.156 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.174 -24.326 -2.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.948 -24.811 -0.979 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.879 -25.978 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.634 -24.309 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.328 -26.014 -0.188 1.00 0.00 H new ATOM 8 N SER A 2 -9.009 -24.675 2.138 1.00 0.00 N ATOM 9 CA SER A 2 -8.509 -24.369 3.473 1.00 0.00 C ATOM 10 C SER A 2 -9.611 -24.527 4.515 1.00 0.00 C ATOM 11 O SER A 2 -10.794 -24.592 4.180 1.00 0.00 O ATOM 12 CB SER A 2 -7.950 -22.945 3.517 1.00 0.00 C ATOM 13 OG SER A 2 -6.664 -22.920 4.111 1.00 0.00 O ATOM 0 H SER A 2 -10.012 -24.853 2.094 1.00 0.00 H new ATOM 0 HA SER A 2 -7.710 -25.073 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.895 -22.541 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.627 -22.303 4.080 1.00 0.00 H new ATOM 0 HG SER A 2 -6.328 -21.999 4.126 1.00 0.00 H new ATOM 19 N SER A 3 -9.214 -24.589 5.783 1.00 0.00 N ATOM 20 CA SER A 3 -10.167 -24.744 6.875 1.00 0.00 C ATOM 21 C SER A 3 -10.031 -23.604 7.880 1.00 0.00 C ATOM 22 O SER A 3 -11.015 -22.966 8.249 1.00 0.00 O ATOM 23 CB SER A 3 -9.955 -26.087 7.578 1.00 0.00 C ATOM 24 OG SER A 3 -11.083 -26.930 7.417 1.00 0.00 O ATOM 0 H SER A 3 -8.239 -24.534 6.078 1.00 0.00 H new ATOM 0 HA SER A 3 -11.172 -24.717 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.070 -26.577 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.770 -25.920 8.639 1.00 0.00 H new ATOM 0 HG SER A 3 -10.922 -27.782 7.873 1.00 0.00 H new ATOM 30 N GLY A 4 -8.801 -23.354 8.320 1.00 0.00 N ATOM 31 CA GLY A 4 -8.557 -22.292 9.278 1.00 0.00 C ATOM 32 C GLY A 4 -8.866 -22.713 10.701 1.00 0.00 C ATOM 33 O GLY A 4 -10.027 -22.735 11.111 1.00 0.00 O ATOM 0 H GLY A 4 -7.969 -23.868 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.515 -21.980 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.165 -21.426 9.018 1.00 0.00 H new ATOM 37 N SER A 5 -7.825 -23.049 11.457 1.00 0.00 N ATOM 38 CA SER A 5 -7.992 -23.476 12.841 1.00 0.00 C ATOM 39 C SER A 5 -8.318 -22.289 13.741 1.00 0.00 C ATOM 40 O SER A 5 -9.246 -22.342 14.546 1.00 0.00 O ATOM 41 CB SER A 5 -6.724 -24.175 13.337 1.00 0.00 C ATOM 42 OG SER A 5 -6.987 -25.523 13.683 1.00 0.00 O ATOM 0 H SER A 5 -6.858 -23.034 11.134 1.00 0.00 H new ATOM 0 HA SER A 5 -8.825 -24.178 12.881 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.958 -24.138 12.562 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.328 -23.645 14.203 1.00 0.00 H new ATOM 0 HG SER A 5 -6.161 -25.948 13.995 1.00 0.00 H new ATOM 48 N SER A 6 -7.546 -21.216 13.597 1.00 0.00 N ATOM 49 CA SER A 6 -7.747 -20.015 14.398 1.00 0.00 C ATOM 50 C SER A 6 -7.652 -18.762 13.533 1.00 0.00 C ATOM 51 O SER A 6 -7.102 -18.793 12.433 1.00 0.00 O ATOM 52 CB SER A 6 -6.717 -19.949 15.527 1.00 0.00 C ATOM 53 OG SER A 6 -7.348 -19.794 16.785 1.00 0.00 O ATOM 0 H SER A 6 -6.775 -21.155 12.932 1.00 0.00 H new ATOM 0 HA SER A 6 -8.746 -20.061 14.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.115 -20.858 15.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.036 -19.116 15.353 1.00 0.00 H new ATOM 0 HG SER A 6 -6.668 -19.756 17.490 1.00 0.00 H new ATOM 59 N GLY A 7 -8.193 -17.657 14.041 1.00 0.00 N ATOM 60 CA GLY A 7 -8.159 -16.409 13.302 1.00 0.00 C ATOM 61 C GLY A 7 -9.341 -16.257 12.365 1.00 0.00 C ATOM 62 O GLY A 7 -9.434 -16.955 11.356 1.00 0.00 O ATOM 0 H GLY A 7 -8.653 -17.605 14.950 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.146 -15.575 14.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.234 -16.356 12.727 1.00 0.00 H new ATOM 66 N ASN A 8 -10.247 -15.344 12.699 1.00 0.00 N ATOM 67 CA ASN A 8 -11.430 -15.105 11.880 1.00 0.00 C ATOM 68 C ASN A 8 -11.809 -13.628 11.892 1.00 0.00 C ATOM 69 O ASN A 8 -12.965 -13.270 11.657 1.00 0.00 O ATOM 70 CB ASN A 8 -12.603 -15.948 12.384 1.00 0.00 C ATOM 71 CG ASN A 8 -13.141 -15.455 13.712 1.00 0.00 C ATOM 72 OD1 ASN A 8 -12.503 -14.654 14.395 1.00 0.00 O ATOM 73 ND2 ASN A 8 -14.323 -15.932 14.086 1.00 0.00 N ATOM 0 H ASN A 8 -10.185 -14.757 13.531 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.197 -15.394 10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.402 -15.933 11.643 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.284 -16.985 12.487 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.736 -15.636 14.970 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.818 -16.595 13.489 1.00 0.00 H new ATOM 80 N THR A 9 -10.830 -12.772 12.166 1.00 0.00 N ATOM 81 CA THR A 9 -11.060 -11.334 12.207 1.00 0.00 C ATOM 82 C THR A 9 -9.744 -10.565 12.188 1.00 0.00 C ATOM 83 O THR A 9 -8.898 -10.738 13.067 1.00 0.00 O ATOM 84 CB THR A 9 -11.859 -10.930 13.461 1.00 0.00 C ATOM 85 OG1 THR A 9 -11.665 -9.538 13.738 1.00 0.00 O ATOM 86 CG2 THR A 9 -11.432 -11.756 14.665 1.00 0.00 C ATOM 0 H THR A 9 -9.869 -13.051 12.363 1.00 0.00 H new ATOM 0 HA THR A 9 -11.638 -11.081 11.318 1.00 0.00 H new ATOM 0 HB THR A 9 -12.915 -11.118 13.268 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.177 -9.289 14.535 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.010 -11.453 15.538 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.608 -12.812 14.462 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.371 -11.596 14.859 1.00 0.00 H new ATOM 94 N LYS A 10 -9.576 -9.715 11.181 1.00 0.00 N ATOM 95 CA LYS A 10 -8.362 -8.917 11.048 1.00 0.00 C ATOM 96 C LYS A 10 -8.657 -7.592 10.353 1.00 0.00 C ATOM 97 O LYS A 10 -8.870 -7.550 9.142 1.00 0.00 O ATOM 98 CB LYS A 10 -7.301 -9.692 10.263 1.00 0.00 C ATOM 99 CG LYS A 10 -6.107 -10.108 11.103 1.00 0.00 C ATOM 100 CD LYS A 10 -4.942 -9.148 10.929 1.00 0.00 C ATOM 101 CE LYS A 10 -4.139 -9.466 9.677 1.00 0.00 C ATOM 102 NZ LYS A 10 -3.152 -8.396 9.365 1.00 0.00 N ATOM 0 H LYS A 10 -10.265 -9.561 10.445 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.983 -8.707 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.759 -10.582 9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.954 -9.077 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.395 -10.145 12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.796 -11.114 10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.317 -8.126 10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.292 -9.201 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.617 -10.414 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.817 -9.592 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.625 -8.650 8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.652 -7.497 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.489 -8.293 10.160 1.00 0.00 H new ATOM 116 N GLN A 11 -8.664 -6.511 11.129 1.00 0.00 N ATOM 117 CA GLN A 11 -8.932 -5.184 10.586 1.00 0.00 C ATOM 118 C GLN A 11 -8.821 -4.119 11.672 1.00 0.00 C ATOM 119 O GLN A 11 -8.689 -4.436 12.855 1.00 0.00 O ATOM 120 CB GLN A 11 -10.324 -5.140 9.953 1.00 0.00 C ATOM 121 CG GLN A 11 -10.316 -4.710 8.494 1.00 0.00 C ATOM 122 CD GLN A 11 -11.443 -3.753 8.161 1.00 0.00 C ATOM 123 OE1 GLN A 11 -11.265 -2.534 8.187 1.00 0.00 O ATOM 124 NE2 GLN A 11 -12.610 -4.300 7.846 1.00 0.00 N ATOM 0 H GLN A 11 -8.487 -6.529 12.133 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.185 -4.975 9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.780 -6.127 10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.951 -4.454 10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.362 -4.236 8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.394 -5.592 7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.712 -5.315 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.405 -3.706 7.613 1.00 0.00 H new ATOM 133 N LEU A 12 -8.874 -2.857 11.263 1.00 0.00 N ATOM 134 CA LEU A 12 -8.779 -1.745 12.202 1.00 0.00 C ATOM 135 C LEU A 12 -10.029 -0.872 12.141 1.00 0.00 C ATOM 136 O LEU A 12 -10.521 -0.551 11.059 1.00 0.00 O ATOM 137 CB LEU A 12 -7.540 -0.901 11.900 1.00 0.00 C ATOM 138 CG LEU A 12 -6.240 -1.354 12.567 1.00 0.00 C ATOM 139 CD1 LEU A 12 -5.040 -0.717 11.884 1.00 0.00 C ATOM 140 CD2 LEU A 12 -6.256 -1.014 14.050 1.00 0.00 C ATOM 0 H LEU A 12 -8.982 -2.578 10.288 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.694 -2.158 13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.387 -0.890 10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.742 0.126 12.204 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.158 -2.436 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.124 -1.051 12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.020 -1.011 10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.114 0.368 11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.324 -1.343 14.509 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.361 0.064 14.175 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.095 -1.519 14.530 1.00 0.00 H new ATOM 152 N ARG A 13 -10.536 -0.491 13.309 1.00 0.00 N ATOM 153 CA ARG A 13 -11.728 0.345 13.388 1.00 0.00 C ATOM 154 C ARG A 13 -11.464 1.727 12.797 1.00 0.00 C ATOM 155 O ARG A 13 -10.551 2.432 13.226 1.00 0.00 O ATOM 156 CB ARG A 13 -12.187 0.480 14.841 1.00 0.00 C ATOM 157 CG ARG A 13 -13.317 -0.467 15.213 1.00 0.00 C ATOM 158 CD ARG A 13 -14.677 0.175 14.993 1.00 0.00 C ATOM 159 NE ARG A 13 -15.087 0.122 13.592 1.00 0.00 N ATOM 160 CZ ARG A 13 -16.308 0.431 13.173 1.00 0.00 C ATOM 161 NH1 ARG A 13 -17.234 0.815 14.041 1.00 0.00 N ATOM 162 NH2 ARG A 13 -16.605 0.360 11.881 1.00 0.00 N ATOM 0 H ARG A 13 -10.140 -0.748 14.213 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.516 -0.135 12.808 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.338 0.296 15.500 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.511 1.506 15.017 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.242 -1.376 14.617 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.217 -0.762 16.258 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.421 -0.332 15.608 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.645 1.214 15.322 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.398 -0.168 12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.009 0.874 15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.171 1.052 13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.895 0.068 11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.543 0.598 11.560 1.00 0.00 H new ATOM 176 N PHE A 14 -12.266 2.106 11.808 1.00 0.00 N ATOM 177 CA PHE A 14 -12.118 3.402 11.156 1.00 0.00 C ATOM 178 C PHE A 14 -12.021 4.522 12.188 1.00 0.00 C ATOM 179 O PHE A 14 -11.250 5.467 12.023 1.00 0.00 O ATOM 180 CB PHE A 14 -13.297 3.661 10.215 1.00 0.00 C ATOM 181 CG PHE A 14 -13.346 5.068 9.691 1.00 0.00 C ATOM 182 CD1 PHE A 14 -12.530 5.458 8.641 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.209 5.998 10.245 1.00 0.00 C ATOM 184 CE1 PHE A 14 -12.573 6.753 8.156 1.00 0.00 C ATOM 185 CE2 PHE A 14 -14.256 7.294 9.765 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.438 7.671 8.719 1.00 0.00 C ATOM 0 H PHE A 14 -13.026 1.534 11.440 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.196 3.386 10.576 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.239 2.970 9.374 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.227 3.445 10.742 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.853 4.743 8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.853 5.708 11.062 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.931 7.046 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.932 8.010 10.208 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.474 8.682 8.341 1.00 0.00 H new ATOM 196 N GLU A 15 -12.809 4.406 13.254 1.00 0.00 N ATOM 197 CA GLU A 15 -12.812 5.410 14.311 1.00 0.00 C ATOM 198 C GLU A 15 -11.484 5.413 15.063 1.00 0.00 C ATOM 199 O GLU A 15 -11.063 6.440 15.596 1.00 0.00 O ATOM 200 CB GLU A 15 -13.961 5.149 15.288 1.00 0.00 C ATOM 201 CG GLU A 15 -15.320 5.570 14.754 1.00 0.00 C ATOM 202 CD GLU A 15 -16.453 5.220 15.699 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.320 5.494 16.911 1.00 0.00 O ATOM 204 OE2 GLU A 15 -17.472 4.672 15.228 1.00 0.00 O ATOM 0 H GLU A 15 -13.451 3.629 13.407 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.951 6.387 13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.988 4.086 15.529 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.764 5.682 16.218 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.319 6.645 14.577 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.493 5.088 13.792 1.00 0.00 H new ATOM 211 N ASP A 16 -10.829 4.258 15.099 1.00 0.00 N ATOM 212 CA ASP A 16 -9.548 4.126 15.785 1.00 0.00 C ATOM 213 C ASP A 16 -8.405 4.600 14.893 1.00 0.00 C ATOM 214 O ASP A 16 -7.413 5.148 15.375 1.00 0.00 O ATOM 215 CB ASP A 16 -9.317 2.674 16.204 1.00 0.00 C ATOM 216 CG ASP A 16 -8.323 2.552 17.342 1.00 0.00 C ATOM 217 OD1 ASP A 16 -8.394 3.371 18.281 1.00 0.00 O ATOM 218 OD2 ASP A 16 -7.474 1.637 17.294 1.00 0.00 O ATOM 0 H ASP A 16 -11.163 3.399 14.661 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.574 4.752 16.677 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.266 2.230 16.505 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.956 2.105 15.347 1.00 0.00 H new ATOM 223 N VAL A 17 -8.548 4.384 13.589 1.00 0.00 N ATOM 224 CA VAL A 17 -7.527 4.787 12.630 1.00 0.00 C ATOM 225 C VAL A 17 -7.495 6.303 12.468 1.00 0.00 C ATOM 226 O VAL A 17 -6.440 6.890 12.225 1.00 0.00 O ATOM 227 CB VAL A 17 -7.763 4.140 11.252 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.927 4.831 10.187 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.454 2.652 11.304 1.00 0.00 C ATOM 0 H VAL A 17 -9.362 3.932 13.173 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.570 4.445 13.024 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.814 4.261 10.988 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.107 4.360 9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.203 5.884 10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.871 4.745 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.626 2.210 10.322 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.412 2.506 11.590 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.102 2.171 12.037 1.00 0.00 H new ATOM 239 N VAL A 18 -8.658 6.932 12.604 1.00 0.00 N ATOM 240 CA VAL A 18 -8.763 8.381 12.474 1.00 0.00 C ATOM 241 C VAL A 18 -8.370 9.078 13.771 1.00 0.00 C ATOM 242 O VAL A 18 -9.015 10.038 14.193 1.00 0.00 O ATOM 243 CB VAL A 18 -10.191 8.808 12.087 1.00 0.00 C ATOM 244 CG1 VAL A 18 -10.591 8.191 10.755 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.177 8.421 13.179 1.00 0.00 C ATOM 0 H VAL A 18 -9.541 6.461 12.804 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.076 8.679 11.682 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.210 9.892 11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.603 8.504 10.498 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.901 8.522 9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.556 7.104 10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.181 8.730 12.889 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.157 7.340 13.321 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.900 8.915 14.111 1.00 0.00 H new ATOM 255 N ASN A 19 -7.306 8.590 14.401 1.00 0.00 N ATOM 256 CA ASN A 19 -6.827 9.167 15.652 1.00 0.00 C ATOM 257 C ASN A 19 -5.375 8.774 15.911 1.00 0.00 C ATOM 258 O ASN A 19 -4.594 9.562 16.444 1.00 0.00 O ATOM 259 CB ASN A 19 -7.706 8.712 16.819 1.00 0.00 C ATOM 260 CG ASN A 19 -8.898 9.625 17.033 1.00 0.00 C ATOM 261 OD1 ASN A 19 -8.777 10.848 16.966 1.00 0.00 O ATOM 262 ND2 ASN A 19 -10.057 9.032 17.296 1.00 0.00 N ATOM 0 H ASN A 19 -6.759 7.797 14.066 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.882 10.252 15.567 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.058 7.697 16.632 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.108 8.679 17.730 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.894 9.594 17.452 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.110 8.014 17.342 1.00 0.00 H new ATOM 269 N GLN A 20 -5.022 7.550 15.530 1.00 0.00 N ATOM 270 CA GLN A 20 -3.666 7.053 15.721 1.00 0.00 C ATOM 271 C GLN A 20 -2.647 8.176 15.564 1.00 0.00 C ATOM 272 O GLN A 20 -1.760 8.345 16.402 1.00 0.00 O ATOM 273 CB GLN A 20 -3.365 5.933 14.724 1.00 0.00 C ATOM 274 CG GLN A 20 -3.397 4.544 15.341 1.00 0.00 C ATOM 275 CD GLN A 20 -2.365 3.613 14.735 1.00 0.00 C ATOM 276 OE1 GLN A 20 -1.293 3.401 15.305 1.00 0.00 O ATOM 277 NE2 GLN A 20 -2.682 3.051 13.574 1.00 0.00 N ATOM 0 H GLN A 20 -5.657 6.885 15.088 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.591 6.658 16.734 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.090 5.977 13.911 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.382 6.104 14.284 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.224 4.623 16.414 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.390 4.115 15.209 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.581 3.255 13.137 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.026 2.416 13.119 1.00 0.00 H new ATOM 286 N SER A 21 -2.778 8.943 14.486 1.00 0.00 N ATOM 287 CA SER A 21 -1.867 10.048 14.218 1.00 0.00 C ATOM 288 C SER A 21 -2.626 11.369 14.121 1.00 0.00 C ATOM 289 O SER A 21 -3.846 11.384 13.953 1.00 0.00 O ATOM 290 CB SER A 21 -1.094 9.796 12.922 1.00 0.00 C ATOM 291 OG SER A 21 0.004 8.928 13.143 1.00 0.00 O ATOM 0 H SER A 21 -3.507 8.819 13.784 1.00 0.00 H new ATOM 0 HA SER A 21 -1.163 10.114 15.047 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.760 9.362 12.176 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.737 10.743 12.518 1.00 0.00 H new ATOM 0 HG SER A 21 0.571 8.907 12.344 1.00 0.00 H new ATOM 297 N SER A 22 -1.896 12.474 14.231 1.00 0.00 N ATOM 298 CA SER A 22 -2.500 13.799 14.160 1.00 0.00 C ATOM 299 C SER A 22 -3.406 13.919 12.939 1.00 0.00 C ATOM 300 O SER A 22 -3.140 13.352 11.879 1.00 0.00 O ATOM 301 CB SER A 22 -1.414 14.875 14.112 1.00 0.00 C ATOM 302 OG SER A 22 -0.974 15.215 15.416 1.00 0.00 O ATOM 0 H SER A 22 -0.885 12.478 14.370 1.00 0.00 H new ATOM 0 HA SER A 22 -3.106 13.944 15.055 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.570 14.518 13.522 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.800 15.763 13.612 1.00 0.00 H new ATOM 0 HG SER A 22 -0.279 15.903 15.358 1.00 0.00 H new ATOM 308 N PRO A 23 -4.502 14.676 13.089 1.00 0.00 N ATOM 309 CA PRO A 23 -5.471 14.890 12.010 1.00 0.00 C ATOM 310 C PRO A 23 -4.907 15.756 10.889 1.00 0.00 C ATOM 311 O PRO A 23 -5.009 15.410 9.711 1.00 0.00 O ATOM 312 CB PRO A 23 -6.629 15.607 12.708 1.00 0.00 C ATOM 313 CG PRO A 23 -6.005 16.279 13.883 1.00 0.00 C ATOM 314 CD PRO A 23 -4.882 15.383 14.325 1.00 0.00 C ATOM 0 HA PRO A 23 -5.759 13.955 11.530 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.104 16.330 12.045 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.401 14.903 13.018 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.633 17.268 13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.731 16.418 14.684 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.049 15.955 14.733 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.203 14.689 15.102 1.00 0.00 H new ATOM 322 N LYS A 24 -4.312 16.884 11.261 1.00 0.00 N ATOM 323 CA LYS A 24 -3.731 17.800 10.288 1.00 0.00 C ATOM 324 C LYS A 24 -2.841 17.051 9.299 1.00 0.00 C ATOM 325 O LYS A 24 -2.876 17.314 8.098 1.00 0.00 O ATOM 326 CB LYS A 24 -2.919 18.886 10.998 1.00 0.00 C ATOM 327 CG LYS A 24 -1.770 18.340 11.829 1.00 0.00 C ATOM 328 CD LYS A 24 -1.192 19.403 12.749 1.00 0.00 C ATOM 329 CE LYS A 24 0.116 18.945 13.376 1.00 0.00 C ATOM 330 NZ LYS A 24 0.233 19.380 14.795 1.00 0.00 N ATOM 0 H LYS A 24 -4.220 17.186 12.231 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.546 18.267 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.522 19.576 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.583 19.461 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.119 17.495 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.988 17.965 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.025 20.321 12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.911 19.637 13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.183 17.858 13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.953 19.345 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.138 19.048 15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.194 20.418 14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.551 18.978 15.347 1.00 0.00 H new ATOM 344 N ASN A 25 -2.048 16.118 9.814 1.00 0.00 N ATOM 345 CA ASN A 25 -1.150 15.331 8.976 1.00 0.00 C ATOM 346 C ASN A 25 -1.817 14.030 8.538 1.00 0.00 C ATOM 347 O ASN A 25 -2.044 13.133 9.351 1.00 0.00 O ATOM 348 CB ASN A 25 0.146 15.024 9.730 1.00 0.00 C ATOM 349 CG ASN A 25 0.785 13.725 9.276 1.00 0.00 C ATOM 350 OD1 ASN A 25 1.611 13.714 8.364 1.00 0.00 O ATOM 351 ND2 ASN A 25 0.403 12.625 9.912 1.00 0.00 N ATOM 0 H ASN A 25 -2.008 15.888 10.807 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.915 15.916 8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.851 15.843 9.584 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.063 14.969 10.798 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.798 11.722 9.650 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.285 12.683 10.663 1.00 0.00 H new ATOM 358 N CYS A 26 -2.127 13.935 7.250 1.00 0.00 N ATOM 359 CA CYS A 26 -2.767 12.745 6.703 1.00 0.00 C ATOM 360 C CYS A 26 -1.858 12.053 5.693 1.00 0.00 C ATOM 361 O CYS A 26 -1.723 12.502 4.554 1.00 0.00 O ATOM 362 CB CYS A 26 -4.097 13.113 6.043 1.00 0.00 C ATOM 363 SG CYS A 26 -5.014 14.411 6.904 1.00 0.00 S ATOM 0 H CYS A 26 -1.945 14.668 6.565 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.957 12.055 7.525 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.905 13.436 5.020 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.720 12.221 5.984 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.657 14.438 8.154 1.00 0.00 H new ATOM 369 N THR A 27 -1.233 10.960 6.117 1.00 0.00 N ATOM 370 CA THR A 27 -0.333 10.208 5.250 1.00 0.00 C ATOM 371 C THR A 27 -0.674 8.723 5.262 1.00 0.00 C ATOM 372 O THR A 27 -1.233 8.210 6.232 1.00 0.00 O ATOM 373 CB THR A 27 1.136 10.390 5.674 1.00 0.00 C ATOM 374 OG1 THR A 27 1.403 11.772 5.937 1.00 0.00 O ATOM 375 CG2 THR A 27 2.078 9.883 4.592 1.00 0.00 C ATOM 0 H THR A 27 -1.333 10.575 7.056 1.00 0.00 H new ATOM 0 HA THR A 27 -0.463 10.600 4.241 1.00 0.00 H new ATOM 0 HB THR A 27 1.304 9.809 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.341 11.939 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.110 10.022 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.892 8.824 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.907 10.440 3.671 1.00 0.00 H new ATOM 383 N VAL A 28 -0.332 8.034 4.177 1.00 0.00 N ATOM 384 CA VAL A 28 -0.600 6.605 4.063 1.00 0.00 C ATOM 385 C VAL A 28 0.642 5.849 3.604 1.00 0.00 C ATOM 386 O VAL A 28 1.046 5.943 2.446 1.00 0.00 O ATOM 387 CB VAL A 28 -1.751 6.327 3.078 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.899 4.832 2.839 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.051 6.925 3.595 1.00 0.00 C ATOM 0 H VAL A 28 0.131 8.442 3.365 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.889 6.256 5.054 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.514 6.801 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.717 4.654 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.973 4.437 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.113 4.332 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.853 6.719 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.297 6.482 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.936 8.003 3.709 1.00 0.00 H new ATOM 399 N TYR A 29 1.242 5.097 4.520 1.00 0.00 N ATOM 400 CA TYR A 29 2.439 4.324 4.211 1.00 0.00 C ATOM 401 C TYR A 29 2.073 2.937 3.693 1.00 0.00 C ATOM 402 O TYR A 29 1.427 2.153 4.389 1.00 0.00 O ATOM 403 CB TYR A 29 3.326 4.200 5.450 1.00 0.00 C ATOM 404 CG TYR A 29 4.586 3.398 5.216 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.601 2.021 5.401 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.762 4.016 4.809 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.748 1.284 5.189 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.914 3.286 4.592 1.00 0.00 C ATOM 409 CZ TYR A 29 6.904 1.921 4.784 1.00 0.00 C ATOM 410 OH TYR A 29 8.049 1.189 4.571 1.00 0.00 O ATOM 0 H TYR A 29 0.919 5.006 5.483 1.00 0.00 H new ATOM 0 HA TYR A 29 2.989 4.850 3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.599 5.198 5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.753 3.734 6.252 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.699 1.518 5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.775 5.086 4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.742 0.214 5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.819 3.782 4.273 1.00 0.00 H new ATOM 0 HH TYR A 29 8.662 1.699 4.001 1.00 0.00 H new ATOM 420 N CYS A 30 2.492 2.640 2.468 1.00 0.00 N ATOM 421 CA CYS A 30 2.210 1.348 1.854 1.00 0.00 C ATOM 422 C CYS A 30 3.472 0.495 1.777 1.00 0.00 C ATOM 423 O CYS A 30 4.385 0.790 1.006 1.00 0.00 O ATOM 424 CB CYS A 30 1.622 1.540 0.457 1.00 0.00 C ATOM 425 SG CYS A 30 0.562 0.182 -0.093 1.00 0.00 S ATOM 0 H CYS A 30 3.029 3.277 1.880 1.00 0.00 H new ATOM 0 HA CYS A 30 1.481 0.829 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.046 2.465 0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.438 1.661 -0.255 1.00 0.00 H new ATOM 0 HG CYS A 30 0.215 0.376 -1.331 1.00 0.00 H new ATOM 431 N GLY A 31 3.517 -0.563 2.581 1.00 0.00 N ATOM 432 CA GLY A 31 4.673 -1.441 2.587 1.00 0.00 C ATOM 433 C GLY A 31 4.317 -2.871 2.237 1.00 0.00 C ATOM 434 O GLY A 31 3.393 -3.447 2.810 1.00 0.00 O ATOM 0 H GLY A 31 2.774 -0.828 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.411 -1.069 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.139 -1.417 3.572 1.00 0.00 H new ATOM 438 N GLY A 32 5.052 -3.448 1.291 1.00 0.00 N ATOM 439 CA GLY A 32 4.792 -4.815 0.879 1.00 0.00 C ATOM 440 C GLY A 32 5.325 -5.115 -0.507 1.00 0.00 C ATOM 441 O GLY A 32 6.051 -6.092 -0.702 1.00 0.00 O ATOM 0 H GLY A 32 5.823 -2.993 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.246 -5.500 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.718 -4.999 0.899 1.00 0.00 H new ATOM 445 N ILE A 33 4.967 -4.276 -1.473 1.00 0.00 N ATOM 446 CA ILE A 33 5.415 -4.458 -2.847 1.00 0.00 C ATOM 447 C ILE A 33 6.921 -4.253 -2.967 1.00 0.00 C ATOM 448 O ILE A 33 7.511 -3.467 -2.226 1.00 0.00 O ATOM 449 CB ILE A 33 4.699 -3.488 -3.805 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.197 -3.464 -3.514 1.00 0.00 C ATOM 451 CG2 ILE A 33 4.957 -3.883 -5.251 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.602 -2.073 -3.522 1.00 0.00 C ATOM 0 H ILE A 33 4.368 -3.463 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 33 5.167 -5.482 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 33 5.097 -2.486 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.682 -4.075 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.016 -3.922 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.444 -3.188 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.028 -3.853 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.584 -4.892 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.535 -2.133 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.091 -1.464 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.751 -1.619 -4.502 1.00 0.00 H new ATOM 464 N ALA A 34 7.537 -4.965 -3.904 1.00 0.00 N ATOM 465 CA ALA A 34 8.974 -4.858 -4.124 1.00 0.00 C ATOM 466 C ALA A 34 9.316 -4.992 -5.604 1.00 0.00 C ATOM 467 O ALA A 34 10.172 -4.276 -6.121 1.00 0.00 O ATOM 468 CB ALA A 34 9.711 -5.914 -3.312 1.00 0.00 C ATOM 0 H ALA A 34 7.063 -5.623 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 34 9.295 -3.870 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.783 -5.823 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.501 -5.770 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.377 -6.906 -3.616 1.00 0.00 H new ATOM 474 N SER A 35 8.639 -5.915 -6.282 1.00 0.00 N ATOM 475 CA SER A 35 8.874 -6.145 -7.702 1.00 0.00 C ATOM 476 C SER A 35 7.769 -5.515 -8.544 1.00 0.00 C ATOM 477 O SER A 35 7.871 -5.441 -9.768 1.00 0.00 O ATOM 478 CB SER A 35 8.958 -7.645 -7.989 1.00 0.00 C ATOM 479 OG SER A 35 10.261 -8.141 -7.735 1.00 0.00 O ATOM 0 H SER A 35 7.924 -6.515 -5.870 1.00 0.00 H new ATOM 0 HA SER A 35 9.822 -5.677 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.236 -8.178 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.689 -7.835 -9.028 1.00 0.00 H new ATOM 0 HG SER A 35 10.288 -9.102 -7.924 1.00 0.00 H new ATOM 485 N GLY A 36 6.710 -5.064 -7.879 1.00 0.00 N ATOM 486 CA GLY A 36 5.600 -4.447 -8.581 1.00 0.00 C ATOM 487 C GLY A 36 5.220 -3.101 -7.997 1.00 0.00 C ATOM 488 O GLY A 36 4.036 -2.786 -7.861 1.00 0.00 O ATOM 0 H GLY A 36 6.601 -5.115 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.863 -4.322 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.737 -5.112 -8.545 1.00 0.00 H new ATOM 492 N LEU A 37 6.224 -2.305 -7.648 1.00 0.00 N ATOM 493 CA LEU A 37 5.989 -0.985 -7.072 1.00 0.00 C ATOM 494 C LEU A 37 6.075 0.099 -8.143 1.00 0.00 C ATOM 495 O LEU A 37 7.149 0.380 -8.675 1.00 0.00 O ATOM 496 CB LEU A 37 7.005 -0.702 -5.964 1.00 0.00 C ATOM 497 CG LEU A 37 6.485 0.090 -4.763 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.623 0.834 -4.082 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.396 1.060 -5.197 1.00 0.00 C ATOM 0 H LEU A 37 7.209 -2.550 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 37 4.985 -0.974 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.395 -1.654 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.843 -0.157 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 37 6.056 -0.611 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.235 1.392 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.370 0.119 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.081 1.525 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.037 1.615 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.800 1.756 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.569 0.504 -5.640 1.00 0.00 H new ATOM 511 N THR A 38 4.933 0.707 -8.453 1.00 0.00 N ATOM 512 CA THR A 38 4.879 1.761 -9.458 1.00 0.00 C ATOM 513 C THR A 38 3.831 2.808 -9.101 1.00 0.00 C ATOM 514 O THR A 38 2.755 2.478 -8.602 1.00 0.00 O ATOM 515 CB THR A 38 4.563 1.190 -10.853 1.00 0.00 C ATOM 516 OG1 THR A 38 3.506 0.227 -10.762 1.00 0.00 O ATOM 517 CG2 THR A 38 5.795 0.541 -11.465 1.00 0.00 C ATOM 0 H THR A 38 4.035 0.487 -8.023 1.00 0.00 H new ATOM 0 HA THR A 38 5.863 2.229 -9.479 1.00 0.00 H new ATOM 0 HB THR A 38 4.249 2.014 -11.494 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.311 -0.129 -11.654 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.547 0.145 -12.450 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.587 1.283 -11.562 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.135 -0.271 -10.823 1.00 0.00 H new ATOM 525 N ASP A 39 4.150 4.071 -9.360 1.00 0.00 N ATOM 526 CA ASP A 39 3.234 5.167 -9.067 1.00 0.00 C ATOM 527 C ASP A 39 1.832 4.855 -9.579 1.00 0.00 C ATOM 528 O ASP A 39 0.841 5.090 -8.886 1.00 0.00 O ATOM 529 CB ASP A 39 3.742 6.466 -9.693 1.00 0.00 C ATOM 530 CG ASP A 39 2.625 7.455 -9.961 1.00 0.00 C ATOM 531 OD1 ASP A 39 1.816 7.203 -10.879 1.00 0.00 O ATOM 532 OD2 ASP A 39 2.559 8.482 -9.253 1.00 0.00 O ATOM 0 H ASP A 39 5.036 4.361 -9.773 1.00 0.00 H new ATOM 0 HA ASP A 39 3.187 5.289 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.476 6.923 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.255 6.239 -10.628 1.00 0.00 H new ATOM 537 N GLN A 40 1.756 4.326 -10.796 1.00 0.00 N ATOM 538 CA GLN A 40 0.474 3.984 -11.400 1.00 0.00 C ATOM 539 C GLN A 40 -0.317 3.038 -10.503 1.00 0.00 C ATOM 540 O GLN A 40 -1.541 3.135 -10.406 1.00 0.00 O ATOM 541 CB GLN A 40 0.689 3.343 -12.773 1.00 0.00 C ATOM 542 CG GLN A 40 -0.597 3.142 -13.558 1.00 0.00 C ATOM 543 CD GLN A 40 -0.359 2.512 -14.917 1.00 0.00 C ATOM 544 OE1 GLN A 40 0.494 1.638 -15.068 1.00 0.00 O ATOM 545 NE2 GLN A 40 -1.114 2.956 -15.915 1.00 0.00 N ATOM 0 H GLN A 40 2.566 4.125 -11.382 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.099 4.904 -11.520 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.366 3.968 -13.355 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.179 2.378 -12.642 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.274 2.511 -12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.092 4.104 -13.689 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.809 3.682 -15.744 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.999 2.571 -16.852 1.00 0.00 H new ATOM 554 N LEU A 41 0.391 2.123 -9.849 1.00 0.00 N ATOM 555 CA LEU A 41 -0.245 1.158 -8.959 1.00 0.00 C ATOM 556 C LEU A 41 -0.870 1.856 -7.755 1.00 0.00 C ATOM 557 O LEU A 41 -2.082 1.799 -7.552 1.00 0.00 O ATOM 558 CB LEU A 41 0.775 0.120 -8.487 1.00 0.00 C ATOM 559 CG LEU A 41 0.230 -1.007 -7.609 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.941 -1.697 -8.291 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.328 -2.009 -7.284 1.00 0.00 C ATOM 0 H LEU A 41 1.404 2.029 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.036 0.655 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.243 -0.325 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.560 0.637 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.126 -0.574 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.315 -2.496 -7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.736 -0.973 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.612 -2.117 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.922 -2.804 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.715 -2.437 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.135 -1.505 -6.752 1.00 0.00 H new ATOM 573 N MET A 42 -0.033 2.516 -6.961 1.00 0.00 N ATOM 574 CA MET A 42 -0.504 3.230 -5.779 1.00 0.00 C ATOM 575 C MET A 42 -1.596 4.229 -6.146 1.00 0.00 C ATOM 576 O MET A 42 -2.557 4.415 -5.400 1.00 0.00 O ATOM 577 CB MET A 42 0.659 3.954 -5.096 1.00 0.00 C ATOM 578 CG MET A 42 1.639 3.016 -4.410 1.00 0.00 C ATOM 579 SD MET A 42 0.855 1.996 -3.147 1.00 0.00 S ATOM 580 CE MET A 42 0.793 0.413 -3.982 1.00 0.00 C ATOM 0 H MET A 42 0.974 2.571 -7.114 1.00 0.00 H new ATOM 0 HA MET A 42 -0.923 2.499 -5.087 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.194 4.546 -5.838 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.260 4.652 -4.360 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.102 2.371 -5.157 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.438 3.601 -3.955 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.552 -0.369 -3.262 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.028 0.441 -4.758 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.762 0.202 -4.435 1.00 0.00 H new ATOM 590 N ARG A 43 -1.442 4.871 -7.300 1.00 0.00 N ATOM 591 CA ARG A 43 -2.414 5.852 -7.765 1.00 0.00 C ATOM 592 C ARG A 43 -3.749 5.186 -8.082 1.00 0.00 C ATOM 593 O ARG A 43 -4.803 5.647 -7.645 1.00 0.00 O ATOM 594 CB ARG A 43 -1.886 6.578 -9.003 1.00 0.00 C ATOM 595 CG ARG A 43 -2.708 7.794 -9.394 1.00 0.00 C ATOM 596 CD ARG A 43 -2.243 8.381 -10.717 1.00 0.00 C ATOM 597 NE ARG A 43 -3.219 8.170 -11.783 1.00 0.00 N ATOM 598 CZ ARG A 43 -4.352 8.855 -11.888 1.00 0.00 C ATOM 599 NH1 ARG A 43 -4.650 9.790 -10.996 1.00 0.00 N ATOM 600 NH2 ARG A 43 -5.190 8.606 -12.886 1.00 0.00 N ATOM 0 H ARG A 43 -0.652 4.729 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.571 6.578 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.858 6.889 -8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.864 5.881 -9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.759 7.515 -9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.634 8.551 -8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.063 9.449 -10.596 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.293 7.928 -11.001 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.020 7.458 -12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.008 9.984 -10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.521 10.315 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.965 7.888 -13.574 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.060 9.133 -12.965 1.00 0.00 H new ATOM 614 N GLN A 44 -3.696 4.100 -8.848 1.00 0.00 N ATOM 615 CA GLN A 44 -4.901 3.372 -9.224 1.00 0.00 C ATOM 616 C GLN A 44 -5.495 2.643 -8.024 1.00 0.00 C ATOM 617 O GLN A 44 -6.686 2.330 -8.000 1.00 0.00 O ATOM 618 CB GLN A 44 -4.591 2.373 -10.341 1.00 0.00 C ATOM 619 CG GLN A 44 -5.733 2.189 -11.326 1.00 0.00 C ATOM 620 CD GLN A 44 -5.448 1.114 -12.356 1.00 0.00 C ATOM 621 OE1 GLN A 44 -5.611 -0.077 -12.088 1.00 0.00 O ATOM 622 NE2 GLN A 44 -5.019 1.528 -13.543 1.00 0.00 N ATOM 0 H GLN A 44 -2.832 3.706 -9.220 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.633 4.094 -9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.706 2.708 -10.882 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.346 1.408 -9.897 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.641 1.932 -10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.924 3.133 -11.836 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.898 2.525 -13.722 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.811 0.849 -14.275 1.00 0.00 H new ATOM 631 N THR A 45 -4.658 2.375 -7.027 1.00 0.00 N ATOM 632 CA THR A 45 -5.098 1.681 -5.823 1.00 0.00 C ATOM 633 C THR A 45 -5.795 2.637 -4.862 1.00 0.00 C ATOM 634 O THR A 45 -6.780 2.277 -4.217 1.00 0.00 O ATOM 635 CB THR A 45 -3.918 1.010 -5.097 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.329 0.012 -5.938 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.375 0.374 -3.793 1.00 0.00 C ATOM 0 H THR A 45 -3.670 2.628 -7.030 1.00 0.00 H new ATOM 0 HA THR A 45 -5.802 0.912 -6.141 1.00 0.00 H new ATOM 0 HB THR A 45 -3.178 1.777 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.800 0.446 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.524 -0.094 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.797 1.140 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.133 -0.381 -4.002 1.00 0.00 H new ATOM 645 N PHE A 46 -5.277 3.857 -4.770 1.00 0.00 N ATOM 646 CA PHE A 46 -5.850 4.866 -3.887 1.00 0.00 C ATOM 647 C PHE A 46 -6.775 5.803 -4.657 1.00 0.00 C ATOM 648 O PHE A 46 -7.542 6.562 -4.064 1.00 0.00 O ATOM 649 CB PHE A 46 -4.738 5.672 -3.210 1.00 0.00 C ATOM 650 CG PHE A 46 -3.870 4.850 -2.301 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.425 4.130 -1.256 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.499 4.797 -2.494 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.628 3.372 -0.418 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.697 4.041 -1.659 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.262 3.328 -0.621 1.00 0.00 C ATOM 0 H PHE A 46 -4.461 4.171 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.436 4.354 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.115 6.131 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.186 6.483 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.492 4.161 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.052 5.352 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.072 2.815 0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.629 4.008 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.637 2.736 0.032 1.00 0.00 H new ATOM 665 N SER A 47 -6.698 5.744 -5.983 1.00 0.00 N ATOM 666 CA SER A 47 -7.525 6.589 -6.836 1.00 0.00 C ATOM 667 C SER A 47 -8.965 6.621 -6.335 1.00 0.00 C ATOM 668 O SER A 47 -9.520 7.677 -6.031 1.00 0.00 O ATOM 669 CB SER A 47 -7.484 6.086 -8.280 1.00 0.00 C ATOM 670 OG SER A 47 -8.721 6.318 -8.935 1.00 0.00 O ATOM 0 H SER A 47 -6.071 5.119 -6.490 1.00 0.00 H new ATOM 0 HA SER A 47 -7.125 7.602 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.682 6.588 -8.821 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.257 5.020 -8.291 1.00 0.00 H new ATOM 0 HG SER A 47 -8.670 5.990 -9.857 1.00 0.00 H new ATOM 676 N PRO A 48 -9.588 5.436 -6.249 1.00 0.00 N ATOM 677 CA PRO A 48 -10.972 5.301 -5.786 1.00 0.00 C ATOM 678 C PRO A 48 -11.116 5.596 -4.297 1.00 0.00 C ATOM 679 O PRO A 48 -12.129 6.142 -3.858 1.00 0.00 O ATOM 680 CB PRO A 48 -11.300 3.833 -6.074 1.00 0.00 C ATOM 681 CG PRO A 48 -9.981 3.141 -6.065 1.00 0.00 C ATOM 682 CD PRO A 48 -8.987 4.137 -6.595 1.00 0.00 C ATOM 0 HA PRO A 48 -11.639 6.007 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.968 3.421 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.800 3.720 -7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.714 2.822 -5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.006 2.246 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.008 4.012 -6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.848 4.032 -7.671 1.00 0.00 H new ATOM 690 N PHE A 49 -10.098 5.233 -3.524 1.00 0.00 N ATOM 691 CA PHE A 49 -10.112 5.459 -2.084 1.00 0.00 C ATOM 692 C PHE A 49 -10.215 6.948 -1.768 1.00 0.00 C ATOM 693 O PHE A 49 -10.622 7.335 -0.673 1.00 0.00 O ATOM 694 CB PHE A 49 -8.852 4.875 -1.442 1.00 0.00 C ATOM 695 CG PHE A 49 -8.984 3.426 -1.068 1.00 0.00 C ATOM 696 CD1 PHE A 49 -10.033 2.996 -0.273 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.060 2.496 -1.514 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.157 1.664 0.073 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.179 1.161 -1.171 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.229 0.745 -0.377 1.00 0.00 C ATOM 0 H PHE A 49 -9.252 4.781 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.987 4.957 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.016 4.989 -2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.609 5.451 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.762 3.710 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.238 2.816 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.979 1.342 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.451 0.445 -1.524 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.325 -0.297 -0.108 1.00 0.00 H new ATOM 710 N GLY A 50 -9.842 7.780 -2.736 1.00 0.00 N ATOM 711 CA GLY A 50 -9.899 9.217 -2.542 1.00 0.00 C ATOM 712 C GLY A 50 -8.933 9.962 -3.442 1.00 0.00 C ATOM 713 O GLY A 50 -8.333 9.373 -4.341 1.00 0.00 O ATOM 0 H GLY A 50 -9.501 7.484 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.913 9.567 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.674 9.449 -1.501 1.00 0.00 H new ATOM 717 N GLN A 51 -8.784 11.261 -3.202 1.00 0.00 N ATOM 718 CA GLN A 51 -7.886 12.087 -4.000 1.00 0.00 C ATOM 719 C GLN A 51 -6.471 12.057 -3.432 1.00 0.00 C ATOM 720 O GLN A 51 -6.277 12.111 -2.217 1.00 0.00 O ATOM 721 CB GLN A 51 -8.398 13.527 -4.052 1.00 0.00 C ATOM 722 CG GLN A 51 -8.266 14.170 -5.424 1.00 0.00 C ATOM 723 CD GLN A 51 -8.065 15.670 -5.350 1.00 0.00 C ATOM 724 OE1 GLN A 51 -8.388 16.301 -4.343 1.00 0.00 O ATOM 725 NE2 GLN A 51 -7.528 16.250 -6.416 1.00 0.00 N ATOM 0 H GLN A 51 -9.273 11.764 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.860 11.681 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.446 13.542 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.849 14.126 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.425 13.720 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -9.161 13.956 -6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.275 15.688 -7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.368 17.257 -6.422 1.00 0.00 H new ATOM 734 N ILE A 52 -5.485 11.969 -4.318 1.00 0.00 N ATOM 735 CA ILE A 52 -4.088 11.933 -3.906 1.00 0.00 C ATOM 736 C ILE A 52 -3.351 13.192 -4.350 1.00 0.00 C ATOM 737 O ILE A 52 -3.613 13.730 -5.425 1.00 0.00 O ATOM 738 CB ILE A 52 -3.364 10.699 -4.476 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.237 9.452 -4.320 1.00 0.00 C ATOM 740 CG2 ILE A 52 -2.023 10.504 -3.784 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.819 8.306 -5.216 1.00 0.00 C ATOM 0 H ILE A 52 -5.628 11.921 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.082 11.876 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.181 10.862 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.203 9.122 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.273 9.714 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.524 9.628 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.401 11.385 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.183 10.359 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.481 7.456 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.880 8.618 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.794 8.017 -4.983 1.00 0.00 H new ATOM 753 N MET A 53 -2.424 13.654 -3.517 1.00 0.00 N ATOM 754 CA MET A 53 -1.646 14.847 -3.825 1.00 0.00 C ATOM 755 C MET A 53 -0.258 14.475 -4.338 1.00 0.00 C ATOM 756 O MET A 53 0.143 14.889 -5.424 1.00 0.00 O ATOM 757 CB MET A 53 -1.523 15.736 -2.586 1.00 0.00 C ATOM 758 CG MET A 53 -2.845 16.334 -2.133 1.00 0.00 C ATOM 759 SD MET A 53 -3.397 17.683 -3.194 1.00 0.00 S ATOM 760 CE MET A 53 -5.142 17.308 -3.339 1.00 0.00 C ATOM 0 H MET A 53 -2.194 13.220 -2.623 1.00 0.00 H new ATOM 0 HA MET A 53 -2.167 15.397 -4.608 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.100 15.151 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.822 16.543 -2.796 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.606 15.554 -2.118 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.743 16.699 -1.111 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.462 17.460 -4.370 1.00 0.00 H new ATOM 0 HE2 MET A 53 -5.316 16.270 -3.054 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.711 17.965 -2.681 1.00 0.00 H new ATOM 770 N GLU A 54 0.468 13.690 -3.548 1.00 0.00 N ATOM 771 CA GLU A 54 1.811 13.262 -3.923 1.00 0.00 C ATOM 772 C GLU A 54 2.000 11.771 -3.662 1.00 0.00 C ATOM 773 O GLU A 54 1.438 11.220 -2.716 1.00 0.00 O ATOM 774 CB GLU A 54 2.860 14.064 -3.149 1.00 0.00 C ATOM 775 CG GLU A 54 4.188 14.190 -3.876 1.00 0.00 C ATOM 776 CD GLU A 54 5.141 15.148 -3.188 1.00 0.00 C ATOM 777 OE1 GLU A 54 5.256 15.083 -1.946 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.774 15.963 -3.893 1.00 0.00 O ATOM 0 H GLU A 54 0.149 13.338 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 54 1.938 13.445 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.468 15.062 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.028 13.589 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.654 13.207 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.009 14.531 -4.896 1.00 0.00 H new ATOM 785 N ILE A 55 2.796 11.125 -4.508 1.00 0.00 N ATOM 786 CA ILE A 55 3.060 9.698 -4.369 1.00 0.00 C ATOM 787 C ILE A 55 4.548 9.397 -4.516 1.00 0.00 C ATOM 788 O ILE A 55 5.171 9.771 -5.510 1.00 0.00 O ATOM 789 CB ILE A 55 2.276 8.877 -5.410 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.771 9.034 -5.187 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.677 7.411 -5.339 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.071 8.333 -6.230 1.00 0.00 C ATOM 0 H ILE A 55 3.269 11.567 -5.296 1.00 0.00 H new ATOM 0 HA ILE A 55 2.731 9.412 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 55 2.518 9.252 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.515 8.643 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.521 10.095 -5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.115 6.844 -6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.744 7.315 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.460 7.022 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.127 8.487 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.156 8.740 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.150 7.266 -6.219 1.00 0.00 H new ATOM 804 N ARG A 56 5.110 8.720 -3.522 1.00 0.00 N ATOM 805 CA ARG A 56 6.525 8.367 -3.541 1.00 0.00 C ATOM 806 C ARG A 56 6.712 6.859 -3.405 1.00 0.00 C ATOM 807 O ARG A 56 6.507 6.293 -2.331 1.00 0.00 O ATOM 808 CB ARG A 56 7.267 9.089 -2.414 1.00 0.00 C ATOM 809 CG ARG A 56 8.497 9.848 -2.883 1.00 0.00 C ATOM 810 CD ARG A 56 9.429 8.957 -3.691 1.00 0.00 C ATOM 811 NE ARG A 56 9.937 9.632 -4.881 1.00 0.00 N ATOM 812 CZ ARG A 56 10.479 8.995 -5.913 1.00 0.00 C ATOM 813 NH1 ARG A 56 10.582 7.673 -5.900 1.00 0.00 N ATOM 814 NH2 ARG A 56 10.919 9.679 -6.961 1.00 0.00 N ATOM 0 H ARG A 56 4.608 8.404 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 56 6.939 8.681 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.584 9.786 -1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.566 8.359 -1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.190 10.700 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.031 10.247 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.266 8.646 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.899 8.052 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 56 9.872 10.649 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.245 7.143 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.999 7.186 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.841 10.696 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.335 9.188 -7.752 1.00 0.00 H new ATOM 828 N VAL A 57 7.103 6.215 -4.500 1.00 0.00 N ATOM 829 CA VAL A 57 7.318 4.773 -4.503 1.00 0.00 C ATOM 830 C VAL A 57 8.790 4.437 -4.295 1.00 0.00 C ATOM 831 O VAL A 57 9.670 5.055 -4.895 1.00 0.00 O ATOM 832 CB VAL A 57 6.838 4.136 -5.820 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.427 4.596 -6.153 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.798 4.470 -6.953 1.00 0.00 C ATOM 0 H VAL A 57 7.277 6.669 -5.396 1.00 0.00 H new ATOM 0 HA VAL A 57 6.735 4.364 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 57 6.821 3.053 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.105 4.135 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.750 4.302 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.414 5.681 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.444 4.012 -7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.849 5.551 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.790 4.086 -6.715 1.00 0.00 H new ATOM 844 N PHE A 58 9.052 3.453 -3.441 1.00 0.00 N ATOM 845 CA PHE A 58 10.419 3.035 -3.153 1.00 0.00 C ATOM 846 C PHE A 58 10.609 1.551 -3.459 1.00 0.00 C ATOM 847 O PHE A 58 10.514 0.693 -2.581 1.00 0.00 O ATOM 848 CB PHE A 58 10.763 3.313 -1.689 1.00 0.00 C ATOM 849 CG PHE A 58 11.027 4.763 -1.401 1.00 0.00 C ATOM 850 CD1 PHE A 58 10.010 5.699 -1.502 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.292 5.190 -1.029 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.250 7.035 -1.237 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.537 6.524 -0.763 1.00 0.00 C ATOM 854 CZ PHE A 58 11.515 7.448 -0.868 1.00 0.00 C ATOM 0 H PHE A 58 8.336 2.930 -2.937 1.00 0.00 H new ATOM 0 HA PHE A 58 11.090 3.609 -3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.942 2.969 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.642 2.730 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.019 5.382 -1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.095 4.473 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.449 7.755 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.527 6.844 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.705 8.491 -0.662 1.00 0.00 H new ATOM 864 N PRO A 59 10.883 1.241 -4.734 1.00 0.00 N ATOM 865 CA PRO A 59 11.093 -0.138 -5.186 1.00 0.00 C ATOM 866 C PRO A 59 12.396 -0.729 -4.659 1.00 0.00 C ATOM 867 O PRO A 59 12.672 -1.912 -4.852 1.00 0.00 O ATOM 868 CB PRO A 59 11.142 -0.009 -6.710 1.00 0.00 C ATOM 869 CG PRO A 59 11.585 1.393 -6.957 1.00 0.00 C ATOM 870 CD PRO A 59 11.012 2.212 -5.834 1.00 0.00 C ATOM 0 HA PRO A 59 10.312 -0.808 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.837 -0.727 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.166 -0.200 -7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.673 1.461 -6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.228 1.751 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.669 3.039 -5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.048 2.644 -6.103 1.00 0.00 H new ATOM 878 N GLU A 60 13.191 0.103 -3.994 1.00 0.00 N ATOM 879 CA GLU A 60 14.466 -0.340 -3.441 1.00 0.00 C ATOM 880 C GLU A 60 14.334 -0.649 -1.952 1.00 0.00 C ATOM 881 O GLU A 60 15.069 -1.476 -1.411 1.00 0.00 O ATOM 882 CB GLU A 60 15.540 0.729 -3.658 1.00 0.00 C ATOM 883 CG GLU A 60 15.148 2.101 -3.135 1.00 0.00 C ATOM 884 CD GLU A 60 16.257 3.123 -3.293 1.00 0.00 C ATOM 885 OE1 GLU A 60 16.775 3.266 -4.421 1.00 0.00 O ATOM 886 OE2 GLU A 60 16.607 3.779 -2.291 1.00 0.00 O ATOM 0 H GLU A 60 12.976 1.086 -3.825 1.00 0.00 H new ATOM 0 HA GLU A 60 14.761 -1.252 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.460 0.412 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.756 0.804 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.261 2.448 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.880 2.021 -2.082 1.00 0.00 H new ATOM 893 N LYS A 61 13.395 0.022 -1.295 1.00 0.00 N ATOM 894 CA LYS A 61 13.165 -0.178 0.130 1.00 0.00 C ATOM 895 C LYS A 61 12.011 -1.149 0.364 1.00 0.00 C ATOM 896 O LYS A 61 11.981 -1.864 1.364 1.00 0.00 O ATOM 897 CB LYS A 61 12.868 1.158 0.814 1.00 0.00 C ATOM 898 CG LYS A 61 14.050 2.110 0.827 1.00 0.00 C ATOM 899 CD LYS A 61 15.234 1.520 1.576 1.00 0.00 C ATOM 900 CE LYS A 61 15.663 2.411 2.732 1.00 0.00 C ATOM 901 NZ LYS A 61 16.279 1.626 3.838 1.00 0.00 N ATOM 0 H LYS A 61 12.780 0.711 -1.728 1.00 0.00 H new ATOM 0 HA LYS A 61 14.070 -0.605 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.031 1.638 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.553 0.969 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.344 2.340 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.756 3.050 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.971 0.532 1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.070 1.386 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.375 3.154 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.798 2.956 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.558 2.269 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.591 0.934 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.119 1.126 3.483 1.00 0.00 H new ATOM 915 N GLY A 62 11.063 -1.168 -0.568 1.00 0.00 N ATOM 916 CA GLY A 62 9.921 -2.056 -0.445 1.00 0.00 C ATOM 917 C GLY A 62 8.720 -1.372 0.179 1.00 0.00 C ATOM 918 O GLY A 62 7.918 -2.012 0.860 1.00 0.00 O ATOM 0 H GLY A 62 11.065 -0.585 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.649 -2.432 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.199 -2.919 0.160 1.00 0.00 H new ATOM 922 N TYR A 63 8.597 -0.069 -0.050 1.00 0.00 N ATOM 923 CA TYR A 63 7.488 0.701 0.498 1.00 0.00 C ATOM 924 C TYR A 63 7.193 1.923 -0.368 1.00 0.00 C ATOM 925 O TYR A 63 7.906 2.202 -1.332 1.00 0.00 O ATOM 926 CB TYR A 63 7.804 1.141 1.928 1.00 0.00 C ATOM 927 CG TYR A 63 8.756 2.313 2.005 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.308 3.612 1.796 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.103 2.122 2.289 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.175 4.685 1.864 1.00 0.00 C ATOM 931 CE2 TYR A 63 10.976 3.190 2.361 1.00 0.00 C ATOM 932 CZ TYR A 63 10.507 4.470 2.148 1.00 0.00 C ATOM 933 OH TYR A 63 11.375 5.536 2.218 1.00 0.00 O ATOM 0 H TYR A 63 9.252 0.475 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 63 6.605 0.063 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.874 1.405 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.233 0.299 2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.265 3.785 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.473 1.121 2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.811 5.688 1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.020 3.024 2.583 1.00 0.00 H new ATOM 0 HH TYR A 63 11.729 5.729 1.325 1.00 0.00 H new ATOM 943 N SER A 64 6.136 2.648 -0.016 1.00 0.00 N ATOM 944 CA SER A 64 5.743 3.838 -0.761 1.00 0.00 C ATOM 945 C SER A 64 5.091 4.865 0.158 1.00 0.00 C ATOM 946 O SER A 64 4.856 4.599 1.338 1.00 0.00 O ATOM 947 CB SER A 64 4.781 3.464 -1.891 1.00 0.00 C ATOM 948 OG SER A 64 4.635 4.532 -2.811 1.00 0.00 O ATOM 0 H SER A 64 5.537 2.432 0.780 1.00 0.00 H new ATOM 0 HA SER A 64 6.642 4.280 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.151 2.580 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.808 3.204 -1.474 1.00 0.00 H new ATOM 0 HG SER A 64 5.288 5.233 -2.604 1.00 0.00 H new ATOM 954 N PHE A 65 4.800 6.040 -0.389 1.00 0.00 N ATOM 955 CA PHE A 65 4.175 7.109 0.382 1.00 0.00 C ATOM 956 C PHE A 65 3.005 7.719 -0.384 1.00 0.00 C ATOM 957 O PHE A 65 3.107 7.997 -1.578 1.00 0.00 O ATOM 958 CB PHE A 65 5.201 8.193 0.716 1.00 0.00 C ATOM 959 CG PHE A 65 5.978 7.917 1.971 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.323 7.656 3.164 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.364 7.917 1.959 1.00 0.00 C ATOM 962 CE1 PHE A 65 6.035 7.401 4.321 1.00 0.00 C ATOM 963 CE2 PHE A 65 8.081 7.662 3.112 1.00 0.00 C ATOM 964 CZ PHE A 65 7.416 7.405 4.295 1.00 0.00 C ATOM 0 H PHE A 65 4.987 6.277 -1.363 1.00 0.00 H new ATOM 0 HA PHE A 65 3.795 6.680 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.896 8.293 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.687 9.149 0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.243 7.652 3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.890 8.119 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.512 7.199 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.161 7.664 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.975 7.208 5.198 1.00 0.00 H new ATOM 974 N VAL A 66 1.891 7.924 0.313 1.00 0.00 N ATOM 975 CA VAL A 66 0.701 8.502 -0.300 1.00 0.00 C ATOM 976 C VAL A 66 -0.016 9.438 0.667 1.00 0.00 C ATOM 977 O VAL A 66 -0.627 8.993 1.640 1.00 0.00 O ATOM 978 CB VAL A 66 -0.280 7.408 -0.761 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.486 8.028 -1.449 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.420 6.419 -1.681 1.00 0.00 C ATOM 0 H VAL A 66 1.788 7.698 1.302 1.00 0.00 H new ATOM 0 HA VAL A 66 1.036 9.069 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.632 6.866 0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.168 7.240 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.999 8.693 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.156 8.596 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.288 5.653 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.802 6.944 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.248 5.951 -1.149 1.00 0.00 H new ATOM 990 N ARG A 67 0.062 10.735 0.393 1.00 0.00 N ATOM 991 CA ARG A 67 -0.580 11.735 1.240 1.00 0.00 C ATOM 992 C ARG A 67 -1.900 12.197 0.630 1.00 0.00 C ATOM 993 O ARG A 67 -1.944 12.647 -0.515 1.00 0.00 O ATOM 994 CB ARG A 67 0.348 12.934 1.441 1.00 0.00 C ATOM 995 CG ARG A 67 1.199 12.841 2.698 1.00 0.00 C ATOM 996 CD ARG A 67 2.639 12.479 2.369 1.00 0.00 C ATOM 997 NE ARG A 67 3.341 13.573 1.703 1.00 0.00 N ATOM 998 CZ ARG A 67 4.662 13.634 1.583 1.00 0.00 C ATOM 999 NH1 ARG A 67 5.421 12.667 2.081 1.00 0.00 N ATOM 1000 NH2 ARG A 67 5.227 14.662 0.963 1.00 0.00 N ATOM 0 H ARG A 67 0.563 11.119 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.787 11.277 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.003 13.025 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.251 13.843 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.174 13.794 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.778 12.092 3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.165 12.216 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.654 11.597 1.729 1.00 0.00 H new ATOM 0 HE ARG A 67 2.786 14.332 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.990 11.875 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.436 12.716 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.646 15.407 0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.242 14.707 0.872 1.00 0.00 H new ATOM 1014 N PHE A 68 -2.975 12.081 1.403 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.298 12.484 0.939 1.00 0.00 C ATOM 1016 C PHE A 68 -4.613 13.913 1.374 1.00 0.00 C ATOM 1017 O PHE A 68 -3.986 14.449 2.289 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.364 11.529 1.477 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.283 10.149 0.890 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.364 9.230 1.368 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.127 9.771 -0.143 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.287 7.959 0.830 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.056 8.502 -0.685 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.134 7.595 -0.199 1.00 0.00 C ATOM 0 H PHE A 68 -2.956 11.711 2.353 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.302 12.444 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.266 11.461 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.350 11.945 1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.699 9.510 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.848 10.477 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.566 7.252 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.721 8.219 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.076 6.603 -0.623 1.00 0.00 H new ATOM 1034 N SER A 69 -5.589 14.525 0.711 1.00 0.00 N ATOM 1035 CA SER A 69 -5.986 15.892 1.024 1.00 0.00 C ATOM 1036 C SER A 69 -6.790 15.941 2.321 1.00 0.00 C ATOM 1037 O SER A 69 -6.934 16.998 2.936 1.00 0.00 O ATOM 1038 CB SER A 69 -6.810 16.483 -0.121 1.00 0.00 C ATOM 1039 OG SER A 69 -8.038 15.792 -0.275 1.00 0.00 O ATOM 0 H SER A 69 -6.119 14.095 -0.047 1.00 0.00 H new ATOM 0 HA SER A 69 -5.081 16.485 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.004 17.538 0.073 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.240 16.430 -1.049 1.00 0.00 H new ATOM 0 HG SER A 69 -8.547 16.190 -1.012 1.00 0.00 H new ATOM 1045 N THR A 70 -7.312 14.789 2.730 1.00 0.00 N ATOM 1046 CA THR A 70 -8.101 14.699 3.951 1.00 0.00 C ATOM 1047 C THR A 70 -7.685 13.495 4.788 1.00 0.00 C ATOM 1048 O THR A 70 -6.990 12.600 4.304 1.00 0.00 O ATOM 1049 CB THR A 70 -9.606 14.598 3.641 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.853 13.489 2.769 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.113 15.880 2.995 1.00 0.00 C ATOM 0 H THR A 70 -7.202 13.905 2.233 1.00 0.00 H new ATOM 0 HA THR A 70 -7.914 15.612 4.515 1.00 0.00 H new ATOM 0 HB THR A 70 -10.139 14.447 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.812 13.430 2.578 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.178 15.785 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.950 16.718 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.574 16.056 2.064 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.113 13.477 6.046 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.785 12.380 6.950 1.00 0.00 C ATOM 1061 C HIS A 71 -8.809 11.256 6.834 1.00 0.00 C ATOM 1062 O HIS A 71 -8.530 10.110 7.188 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.724 12.882 8.393 1.00 0.00 C ATOM 1064 CG HIS A 71 -6.983 11.964 9.315 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.610 11.964 9.435 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.433 11.012 10.167 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.247 11.052 10.319 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.335 10.460 10.778 1.00 0.00 N ATOM 0 H HIS A 71 -8.688 14.209 6.463 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.808 11.988 6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.247 13.862 8.408 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.739 13.016 8.766 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -4.973 12.573 8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.464 10.738 10.334 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.233 10.828 10.616 1.00 0.00 H new ATOM 1076 N GLU A 72 -9.995 11.590 6.335 1.00 0.00 N ATOM 1077 CA GLU A 72 -11.060 10.608 6.174 1.00 0.00 C ATOM 1078 C GLU A 72 -10.655 9.524 5.180 1.00 0.00 C ATOM 1079 O GLU A 72 -10.534 8.352 5.538 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.347 11.290 5.704 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.153 11.913 6.832 1.00 0.00 C ATOM 1082 CD GLU A 72 -13.975 13.103 6.375 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -13.372 14.116 5.964 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -15.219 13.019 6.426 1.00 0.00 O ATOM 0 H GLU A 72 -10.242 12.533 6.035 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.237 10.141 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.094 12.064 4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.968 10.559 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.816 11.160 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.476 12.228 7.626 1.00 0.00 H new ATOM 1091 N SER A 73 -10.446 9.923 3.930 1.00 0.00 N ATOM 1092 CA SER A 73 -10.058 8.986 2.882 1.00 0.00 C ATOM 1093 C SER A 73 -8.890 8.116 3.337 1.00 0.00 C ATOM 1094 O SER A 73 -8.998 6.892 3.393 1.00 0.00 O ATOM 1095 CB SER A 73 -9.681 9.741 1.607 1.00 0.00 C ATOM 1096 OG SER A 73 -9.195 8.855 0.614 1.00 0.00 O ATOM 0 H SER A 73 -10.539 10.890 3.618 1.00 0.00 H new ATOM 0 HA SER A 73 -10.910 8.339 2.673 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.551 10.276 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.921 10.489 1.835 1.00 0.00 H new ATOM 0 HG SER A 73 -9.870 8.169 0.429 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.773 8.760 3.660 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.584 8.047 4.111 1.00 0.00 C ATOM 1104 C ALA A 74 -6.948 6.945 5.101 1.00 0.00 C ATOM 1105 O ALA A 74 -6.409 5.840 5.040 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.594 9.016 4.738 1.00 0.00 C ATOM 0 H ALA A 74 -7.667 9.774 3.618 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.119 7.581 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.711 8.470 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.302 9.765 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.058 9.509 5.592 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.865 7.254 6.013 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.301 6.290 7.014 1.00 0.00 C ATOM 1114 C ALA A 75 -9.125 5.174 6.381 1.00 0.00 C ATOM 1115 O ALA A 75 -9.086 4.027 6.828 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.101 6.985 8.105 1.00 0.00 C ATOM 0 H ALA A 75 -8.320 8.165 6.078 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.413 5.842 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.420 6.252 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.480 7.740 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.977 7.462 7.666 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.873 5.518 5.337 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.709 4.545 4.641 1.00 0.00 C ATOM 1124 C HIS A 76 -9.853 3.576 3.829 1.00 0.00 C ATOM 1125 O HIS A 76 -10.151 2.384 3.753 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.702 5.258 3.724 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.908 5.783 4.440 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.750 4.983 5.183 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.410 7.037 4.526 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -14.720 5.722 5.693 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.536 6.972 5.309 1.00 0.00 N ATOM 0 H HIS A 76 -9.917 6.462 4.954 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.261 3.976 5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.196 6.086 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -12.024 4.568 2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.001 7.924 4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.526 5.365 6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.134 7.761 5.554 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.791 4.097 3.225 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.892 3.278 2.421 1.00 0.00 C ATOM 1141 C ALA A 77 -7.021 2.390 3.303 1.00 0.00 C ATOM 1142 O ALA A 77 -6.627 1.294 2.900 1.00 0.00 O ATOM 1143 CB ALA A 77 -7.023 4.160 1.536 1.00 0.00 C ATOM 0 H ALA A 77 -8.532 5.082 3.277 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.499 2.632 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.357 3.535 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.658 4.747 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.431 4.830 2.159 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.724 2.868 4.506 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.900 2.116 5.445 1.00 0.00 C ATOM 1151 C ILE A 78 -6.667 0.932 6.023 1.00 0.00 C ATOM 1152 O ILE A 78 -6.232 -0.215 5.916 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.407 3.008 6.600 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.350 3.993 6.098 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.848 2.152 7.727 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -4.045 5.104 7.079 1.00 0.00 C ATOM 0 H ILE A 78 -7.041 3.773 4.854 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.039 1.750 4.887 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.252 3.578 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.431 3.448 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.690 4.431 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.503 2.796 8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.627 1.487 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.013 1.560 7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.287 5.764 6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.953 5.674 7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.675 4.676 8.010 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.811 1.217 6.635 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.641 0.175 7.228 1.00 0.00 C ATOM 1170 C VAL A 79 -8.851 -0.981 6.255 1.00 0.00 C ATOM 1171 O VAL A 79 -8.988 -2.133 6.666 1.00 0.00 O ATOM 1172 CB VAL A 79 -10.014 0.726 7.657 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.864 1.675 8.835 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.698 1.418 6.488 1.00 0.00 C ATOM 0 H VAL A 79 -8.185 2.161 6.733 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.112 -0.187 8.110 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.639 -0.109 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.844 2.054 9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.418 1.144 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.222 2.509 8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.667 1.801 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.078 2.244 6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.841 0.705 5.676 1.00 0.00 H new ATOM 1184 N SER A 80 -8.875 -0.664 4.965 1.00 0.00 N ATOM 1185 CA SER A 80 -9.071 -1.675 3.932 1.00 0.00 C ATOM 1186 C SER A 80 -7.735 -2.257 3.482 1.00 0.00 C ATOM 1187 O SER A 80 -7.425 -3.416 3.758 1.00 0.00 O ATOM 1188 CB SER A 80 -9.809 -1.075 2.735 1.00 0.00 C ATOM 1189 OG SER A 80 -10.547 -2.066 2.041 1.00 0.00 O ATOM 0 H SER A 80 -8.761 0.285 4.610 1.00 0.00 H new ATOM 0 HA SER A 80 -9.674 -2.479 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.482 -0.288 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.092 -0.610 2.058 1.00 0.00 H new ATOM 0 HG SER A 80 -11.011 -1.656 1.281 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.947 -1.444 2.785 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.643 -1.876 2.295 1.00 0.00 C ATOM 1197 C VAL A 81 -4.857 -2.592 3.387 1.00 0.00 C ATOM 1198 O VAL A 81 -4.006 -3.433 3.102 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.815 -0.686 1.778 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.376 -1.107 1.524 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.441 -0.111 0.516 1.00 0.00 C ATOM 0 H VAL A 81 -7.189 -0.482 2.547 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.827 -2.565 1.471 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.811 0.091 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.806 -0.253 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.933 -1.469 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.356 -1.902 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.843 0.730 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.476 -0.880 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.453 0.230 0.735 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.147 -2.252 4.639 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.466 -2.863 5.774 1.00 0.00 C ATOM 1213 C ASN A 82 -4.783 -4.353 5.861 1.00 0.00 C ATOM 1214 O ASN A 82 -5.771 -4.754 6.474 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.875 -2.167 7.075 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.263 -2.823 8.298 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -3.058 -2.724 8.532 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -5.094 -3.496 9.085 1.00 0.00 N ATOM 0 H ASN A 82 -5.849 -1.557 4.893 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.392 -2.746 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.570 -1.121 7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.961 -2.179 7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.741 -3.958 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.085 -3.551 8.851 1.00 0.00 H new ATOM 1225 N GLY A 83 -3.934 -5.170 5.244 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.141 -6.606 5.263 1.00 0.00 C ATOM 1227 C GLY A 83 -4.550 -7.151 3.910 1.00 0.00 C ATOM 1228 O GLY A 83 -5.024 -8.283 3.805 1.00 0.00 O ATOM 0 H GLY A 83 -3.107 -4.863 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.224 -7.098 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.910 -6.849 5.997 1.00 0.00 H new ATOM 1232 N THR A 84 -4.367 -6.345 2.869 1.00 0.00 N ATOM 1233 CA THR A 84 -4.724 -6.752 1.515 1.00 0.00 C ATOM 1234 C THR A 84 -3.509 -7.285 0.764 1.00 0.00 C ATOM 1235 O THR A 84 -2.368 -7.075 1.177 1.00 0.00 O ATOM 1236 CB THR A 84 -5.333 -5.583 0.719 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.400 -4.498 0.649 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.626 -5.106 1.362 1.00 0.00 C ATOM 0 H THR A 84 -3.974 -5.406 2.937 1.00 0.00 H new ATOM 0 HA THR A 84 -5.467 -7.544 1.608 1.00 0.00 H new ATOM 0 HB THR A 84 -5.555 -5.935 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.268 -4.121 1.544 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.038 -4.280 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.344 -5.926 1.386 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.424 -4.770 2.379 1.00 0.00 H new ATOM 1246 N THR A 85 -3.760 -7.976 -0.344 1.00 0.00 N ATOM 1247 CA THR A 85 -2.686 -8.540 -1.153 1.00 0.00 C ATOM 1248 C THR A 85 -2.719 -7.986 -2.573 1.00 0.00 C ATOM 1249 O THR A 85 -3.709 -8.145 -3.288 1.00 0.00 O ATOM 1250 CB THR A 85 -2.775 -10.076 -1.211 1.00 0.00 C ATOM 1251 OG1 THR A 85 -3.043 -10.601 0.094 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.482 -10.673 -1.748 1.00 0.00 C ATOM 0 H THR A 85 -4.698 -8.158 -0.702 1.00 0.00 H new ATOM 0 HA THR A 85 -1.748 -8.255 -0.677 1.00 0.00 H new ATOM 0 HB THR A 85 -3.589 -10.346 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.100 -11.578 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.568 -11.759 -1.780 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.296 -10.294 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.654 -10.394 -1.096 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.632 -7.336 -2.975 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.536 -6.761 -4.310 1.00 0.00 C ATOM 1262 C ILE A 86 -0.415 -7.414 -5.111 1.00 0.00 C ATOM 1263 O ILE A 86 0.741 -7.417 -4.689 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.294 -5.241 -4.252 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.562 -4.517 -3.798 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.841 -4.725 -5.610 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -2.356 -3.041 -3.537 1.00 0.00 C ATOM 0 H ILE A 86 -0.805 -7.195 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.489 -6.950 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.505 -5.041 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.332 -4.639 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.935 -4.990 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.674 -3.649 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.086 -5.221 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.610 -4.934 -6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.297 -2.593 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.609 -2.911 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.013 -2.554 -4.450 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.765 -7.963 -6.270 1.00 0.00 N ATOM 1280 CA GLU A 87 0.213 -8.618 -7.130 1.00 0.00 C ATOM 1281 C GLU A 87 0.898 -9.769 -6.398 1.00 0.00 C ATOM 1282 O GLU A 87 1.985 -10.201 -6.778 1.00 0.00 O ATOM 1283 CB GLU A 87 1.259 -7.610 -7.610 1.00 0.00 C ATOM 1284 CG GLU A 87 0.663 -6.400 -8.308 1.00 0.00 C ATOM 1285 CD GLU A 87 0.041 -6.746 -9.647 1.00 0.00 C ATOM 1286 OE1 GLU A 87 0.596 -7.614 -10.352 1.00 0.00 O ATOM 1287 OE2 GLU A 87 -1.001 -6.149 -9.990 1.00 0.00 O ATOM 0 H GLU A 87 -1.718 -7.967 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.315 -9.023 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.846 -7.273 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.947 -8.110 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.094 -5.951 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.441 -5.651 -8.456 1.00 0.00 H new ATOM 1294 N GLY A 88 0.253 -10.260 -5.345 1.00 0.00 N ATOM 1295 CA GLY A 88 0.813 -11.355 -4.575 1.00 0.00 C ATOM 1296 C GLY A 88 1.727 -10.875 -3.465 1.00 0.00 C ATOM 1297 O GLY A 88 2.520 -11.648 -2.926 1.00 0.00 O ATOM 0 H GLY A 88 -0.648 -9.919 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.003 -11.944 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.370 -12.015 -5.240 1.00 0.00 H new ATOM 1301 N HIS A 89 1.618 -9.595 -3.123 1.00 0.00 N ATOM 1302 CA HIS A 89 2.442 -9.013 -2.070 1.00 0.00 C ATOM 1303 C HIS A 89 1.573 -8.354 -1.002 1.00 0.00 C ATOM 1304 O HIS A 89 0.763 -7.477 -1.300 1.00 0.00 O ATOM 1305 CB HIS A 89 3.411 -7.988 -2.659 1.00 0.00 C ATOM 1306 CG HIS A 89 4.427 -8.586 -3.583 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.470 -9.374 -3.145 1.00 0.00 N ATOM 1308 CD2 HIS A 89 4.555 -8.510 -4.928 1.00 0.00 C ATOM 1309 CE1 HIS A 89 6.197 -9.754 -4.181 1.00 0.00 C ATOM 1310 NE2 HIS A 89 5.662 -9.243 -5.276 1.00 0.00 N ATOM 0 H HIS A 89 0.968 -8.942 -3.560 1.00 0.00 H new ATOM 0 HA HIS A 89 3.013 -9.816 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.842 -7.231 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.927 -7.479 -1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.906 -7.972 -5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.079 -10.376 -4.140 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.014 -9.372 -6.225 1.00 0.00 H new ATOM 1318 N VAL A 90 1.748 -8.784 0.244 1.00 0.00 N ATOM 1319 CA VAL A 90 0.981 -8.237 1.356 1.00 0.00 C ATOM 1320 C VAL A 90 1.335 -6.774 1.600 1.00 0.00 C ATOM 1321 O VAL A 90 2.430 -6.459 2.068 1.00 0.00 O ATOM 1322 CB VAL A 90 1.221 -9.035 2.651 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.710 -9.132 2.950 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.476 -8.400 3.815 1.00 0.00 C ATOM 0 H VAL A 90 2.414 -9.510 0.508 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.071 -8.313 1.082 1.00 0.00 H new ATOM 0 HB VAL A 90 0.836 -10.045 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.860 -9.699 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.215 -9.636 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.123 -8.130 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.657 -8.977 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.828 -7.379 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.593 -8.388 3.600 1.00 0.00 H new ATOM 1334 N VAL A 91 0.402 -5.883 1.280 1.00 0.00 N ATOM 1335 CA VAL A 91 0.614 -4.453 1.467 1.00 0.00 C ATOM 1336 C VAL A 91 0.308 -4.033 2.901 1.00 0.00 C ATOM 1337 O VAL A 91 -0.588 -4.583 3.542 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.258 -3.626 0.505 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.095 -3.941 -0.941 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.735 -3.884 0.770 1.00 0.00 C ATOM 0 H VAL A 91 -0.508 -6.127 0.890 1.00 0.00 H new ATOM 0 HA VAL A 91 1.665 -4.259 1.252 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.059 -2.569 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.532 -3.347 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.143 -3.702 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.073 -5.000 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.337 -3.291 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.952 -4.942 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.975 -3.603 1.796 1.00 0.00 H new ATOM 1350 N LYS A 92 1.059 -3.057 3.398 1.00 0.00 N ATOM 1351 CA LYS A 92 0.868 -2.561 4.757 1.00 0.00 C ATOM 1352 C LYS A 92 0.524 -1.075 4.750 1.00 0.00 C ATOM 1353 O LYS A 92 1.352 -0.239 4.388 1.00 0.00 O ATOM 1354 CB LYS A 92 2.129 -2.800 5.590 1.00 0.00 C ATOM 1355 CG LYS A 92 2.029 -4.002 6.514 1.00 0.00 C ATOM 1356 CD LYS A 92 3.399 -4.461 6.982 1.00 0.00 C ATOM 1357 CE LYS A 92 3.730 -5.851 6.462 1.00 0.00 C ATOM 1358 NZ LYS A 92 5.199 -6.076 6.373 1.00 0.00 N ATOM 0 H LYS A 92 1.806 -2.593 2.881 1.00 0.00 H new ATOM 0 HA LYS A 92 0.036 -3.106 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.977 -2.938 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.335 -1.911 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.415 -3.748 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.528 -4.820 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.156 -3.755 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.431 -4.462 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.287 -6.599 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.282 -5.986 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.382 -7.035 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.618 -5.378 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.624 -5.972 7.317 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.700 -0.755 5.154 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.153 0.631 5.194 1.00 0.00 C ATOM 1374 C CYS A 93 -1.004 1.211 6.598 1.00 0.00 C ATOM 1375 O CYS A 93 -1.579 0.697 7.557 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.611 0.728 4.742 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.853 1.683 3.226 1.00 0.00 S ATOM 0 H CYS A 93 -1.396 -1.436 5.458 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.530 1.210 4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -3.001 -0.279 4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.198 1.180 5.541 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.636 2.692 3.469 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.226 2.282 6.709 1.00 0.00 N ATOM 1384 CA TYR A 94 0.003 2.929 7.996 1.00 0.00 C ATOM 1385 C TYR A 94 -0.048 4.448 7.859 1.00 0.00 C ATOM 1386 O TYR A 94 -0.313 4.976 6.779 1.00 0.00 O ATOM 1387 CB TYR A 94 1.354 2.503 8.572 1.00 0.00 C ATOM 1388 CG TYR A 94 1.463 1.015 8.819 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.557 0.358 9.643 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.474 0.265 8.229 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.656 -1.001 9.872 1.00 0.00 C ATOM 1392 CE2 TYR A 94 2.579 -1.093 8.451 1.00 0.00 C ATOM 1393 CZ TYR A 94 1.667 -1.722 9.274 1.00 0.00 C ATOM 1394 OH TYR A 94 1.767 -3.076 9.498 1.00 0.00 O ATOM 0 H TYR A 94 0.256 2.720 5.924 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.789 2.617 8.677 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.145 2.808 7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.523 3.032 9.510 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.238 0.919 10.112 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.190 0.754 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.055 -1.496 10.516 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.370 -1.660 7.983 1.00 0.00 H new ATOM 0 HH TYR A 94 0.875 -3.447 9.663 1.00 0.00 H new ATOM 1404 N TRP A 95 0.209 5.143 8.960 1.00 0.00 N ATOM 1405 CA TRP A 95 0.193 6.601 8.964 1.00 0.00 C ATOM 1406 C TRP A 95 1.597 7.161 8.763 1.00 0.00 C ATOM 1407 O TRP A 95 2.384 7.245 9.706 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.393 7.122 10.278 1.00 0.00 C ATOM 1409 CG TRP A 95 -1.888 7.038 10.335 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.634 6.240 11.156 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.819 7.778 9.538 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -3.972 6.440 10.916 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.112 7.380 9.929 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.687 8.741 8.533 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.262 7.909 9.349 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.829 9.265 7.958 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.103 8.849 8.368 1.00 0.00 C ATOM 0 H TRP A 95 0.431 4.721 9.862 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.434 6.935 8.137 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.028 6.552 11.107 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.089 8.159 10.417 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.231 5.553 11.886 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.737 5.965 11.395 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.710 9.070 8.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.245 7.589 9.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.738 10.008 7.179 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.976 9.279 7.900 1.00 0.00 H new ATOM 1428 N GLY A 96 1.906 7.544 7.528 1.00 0.00 N ATOM 1429 CA GLY A 96 3.216 8.091 7.226 1.00 0.00 C ATOM 1430 C GLY A 96 3.594 9.233 8.149 1.00 0.00 C ATOM 1431 O GLY A 96 2.973 10.296 8.119 1.00 0.00 O ATOM 0 H GLY A 96 1.272 7.485 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.963 7.301 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.231 8.442 6.194 1.00 0.00 H new ATOM 1435 N LYS A 97 4.614 9.015 8.971 1.00 0.00 N ATOM 1436 CA LYS A 97 5.075 10.033 9.907 1.00 0.00 C ATOM 1437 C LYS A 97 6.530 9.797 10.296 1.00 0.00 C ATOM 1438 O LYS A 97 7.424 10.520 9.857 1.00 0.00 O ATOM 1439 CB LYS A 97 4.195 10.039 11.160 1.00 0.00 C ATOM 1440 CG LYS A 97 3.596 11.398 11.476 1.00 0.00 C ATOM 1441 CD LYS A 97 3.922 11.835 12.895 1.00 0.00 C ATOM 1442 CE LYS A 97 5.134 12.754 12.931 1.00 0.00 C ATOM 1443 NZ LYS A 97 6.273 12.140 13.668 1.00 0.00 N ATOM 0 H LYS A 97 5.138 8.141 9.008 1.00 0.00 H new ATOM 0 HA LYS A 97 5.003 11.003 9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.389 9.317 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.788 9.706 12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.976 12.137 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.515 11.359 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.062 12.348 13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.111 10.957 13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.444 12.987 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.861 13.697 13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.079 12.797 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.986 11.941 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.550 11.253 13.202 1.00 0.00 H new ATOM 1457 N GLU A 98 6.761 8.780 11.121 1.00 0.00 N ATOM 1458 CA GLU A 98 8.109 8.449 11.566 1.00 0.00 C ATOM 1459 C GLU A 98 9.102 8.538 10.411 1.00 0.00 C ATOM 1460 O GLU A 98 8.804 8.126 9.290 1.00 0.00 O ATOM 1461 CB GLU A 98 8.139 7.046 12.173 1.00 0.00 C ATOM 1462 CG GLU A 98 7.797 5.946 11.181 1.00 0.00 C ATOM 1463 CD GLU A 98 9.011 5.139 10.763 1.00 0.00 C ATOM 1464 OE1 GLU A 98 9.541 4.385 11.606 1.00 0.00 O ATOM 1465 OE2 GLU A 98 9.431 5.262 9.593 1.00 0.00 O ATOM 0 H GLU A 98 6.032 8.172 11.494 1.00 0.00 H new ATOM 0 HA GLU A 98 8.400 9.173 12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.131 6.858 12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.437 7.004 13.005 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.057 5.279 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.338 6.389 10.297 1.00 0.00 H new ATOM 1472 N SER A 99 10.282 9.079 10.693 1.00 0.00 N ATOM 1473 CA SER A 99 11.318 9.227 9.677 1.00 0.00 C ATOM 1474 C SER A 99 12.412 8.179 9.861 1.00 0.00 C ATOM 1475 O SER A 99 12.753 7.790 10.978 1.00 0.00 O ATOM 1476 CB SER A 99 11.924 10.629 9.734 1.00 0.00 C ATOM 1477 OG SER A 99 12.650 10.822 10.936 1.00 0.00 O ATOM 0 H SER A 99 10.545 9.422 11.617 1.00 0.00 H new ATOM 0 HA SER A 99 10.857 9.079 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.583 10.779 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.132 11.374 9.660 1.00 0.00 H new ATOM 0 HG SER A 99 13.029 11.726 10.948 1.00 0.00 H new ATOM 1483 N PRO A 100 12.979 7.711 8.739 1.00 0.00 N ATOM 1484 CA PRO A 100 14.043 6.705 8.749 1.00 0.00 C ATOM 1485 C PRO A 100 15.356 7.254 9.298 1.00 0.00 C ATOM 1486 O PRO A 100 16.181 6.506 9.823 1.00 0.00 O ATOM 1487 CB PRO A 100 14.195 6.334 7.272 1.00 0.00 C ATOM 1488 CG PRO A 100 13.713 7.531 6.529 1.00 0.00 C ATOM 1489 CD PRO A 100 12.622 8.131 7.373 1.00 0.00 C ATOM 0 HA PRO A 100 13.798 5.860 9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 100 15.232 6.106 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.607 5.450 7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 100 14.522 8.245 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.337 7.254 5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.593 9.217 7.281 1.00 0.00 H new ATOM 0 HD3 PRO A 100 11.639 7.760 7.082 1.00 0.00 H new ATOM 1497 N ASP A 101 15.541 8.564 9.174 1.00 0.00 N ATOM 1498 CA ASP A 101 16.753 9.213 9.659 1.00 0.00 C ATOM 1499 C ASP A 101 16.418 10.508 10.395 1.00 0.00 C ATOM 1500 O ASP A 101 16.131 11.529 9.772 1.00 0.00 O ATOM 1501 CB ASP A 101 17.702 9.504 8.496 1.00 0.00 C ATOM 1502 CG ASP A 101 19.109 9.821 8.963 1.00 0.00 C ATOM 1503 OD1 ASP A 101 19.601 9.128 9.877 1.00 0.00 O ATOM 1504 OD2 ASP A 101 19.718 10.764 8.414 1.00 0.00 O ATOM 0 H ASP A 101 14.867 9.197 8.742 1.00 0.00 H new ATOM 0 HA ASP A 101 17.244 8.535 10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.729 8.643 7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.316 10.343 7.917 1.00 0.00 H new ATOM 1509 N MET A 102 16.456 10.455 11.722 1.00 0.00 N ATOM 1510 CA MET A 102 16.157 11.623 12.541 1.00 0.00 C ATOM 1511 C MET A 102 17.393 12.078 13.310 1.00 0.00 C ATOM 1512 O MET A 102 18.324 11.302 13.528 1.00 0.00 O ATOM 1513 CB MET A 102 15.021 11.310 13.517 1.00 0.00 C ATOM 1514 CG MET A 102 15.318 10.141 14.441 1.00 0.00 C ATOM 1515 SD MET A 102 14.108 8.812 14.290 1.00 0.00 S ATOM 1516 CE MET A 102 13.422 8.788 15.943 1.00 0.00 C ATOM 0 H MET A 102 16.691 9.616 12.253 1.00 0.00 H new ATOM 0 HA MET A 102 15.845 12.431 11.879 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.816 12.195 14.119 1.00 0.00 H new ATOM 0 HB3 MET A 102 14.115 11.093 12.950 1.00 0.00 H new ATOM 0 HG2 MET A 102 16.311 9.750 14.219 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.338 10.494 15.472 1.00 0.00 H new ATOM 0 HE1 MET A 102 12.657 8.015 16.008 1.00 0.00 H new ATOM 0 HE2 MET A 102 14.213 8.577 16.662 1.00 0.00 H new ATOM 0 HE3 MET A 102 12.978 9.758 16.167 1.00 0.00 H new ATOM 1526 N THR A 103 17.397 13.344 13.720 1.00 0.00 N ATOM 1527 CA THR A 103 18.519 13.902 14.464 1.00 0.00 C ATOM 1528 C THR A 103 18.239 13.903 15.962 1.00 0.00 C ATOM 1529 O THR A 103 17.705 14.870 16.504 1.00 0.00 O ATOM 1530 CB THR A 103 18.831 15.342 14.011 1.00 0.00 C ATOM 1531 OG1 THR A 103 19.039 15.375 12.595 1.00 0.00 O ATOM 1532 CG2 THR A 103 20.065 15.877 14.723 1.00 0.00 C ATOM 0 H THR A 103 16.636 14.001 13.549 1.00 0.00 H new ATOM 0 HA THR A 103 19.382 13.268 14.259 1.00 0.00 H new ATOM 0 HB THR A 103 17.980 15.973 14.268 1.00 0.00 H new ATOM 0 HG1 THR A 103 19.235 16.293 12.314 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.266 16.894 14.388 1.00 0.00 H new ATOM 0 HG22 THR A 103 19.893 15.877 15.799 1.00 0.00 H new ATOM 0 HG23 THR A 103 20.921 15.243 14.493 1.00 0.00 H new ATOM 1540 N SER A 104 18.606 12.812 16.628 1.00 0.00 N ATOM 1541 CA SER A 104 18.392 12.686 18.065 1.00 0.00 C ATOM 1542 C SER A 104 19.322 11.633 18.662 1.00 0.00 C ATOM 1543 O SER A 104 19.536 10.573 18.076 1.00 0.00 O ATOM 1544 CB SER A 104 16.936 12.319 18.355 1.00 0.00 C ATOM 1545 OG SER A 104 16.531 12.801 19.624 1.00 0.00 O ATOM 0 H SER A 104 19.053 12.003 16.195 1.00 0.00 H new ATOM 0 HA SER A 104 18.616 13.648 18.526 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.292 12.737 17.581 1.00 0.00 H new ATOM 0 HB3 SER A 104 16.817 11.236 18.319 1.00 0.00 H new ATOM 0 HG SER A 104 15.596 12.555 19.784 1.00 0.00 H new ATOM 1551 N GLY A 105 19.873 11.936 19.834 1.00 0.00 N ATOM 1552 CA GLY A 105 20.774 11.007 20.491 1.00 0.00 C ATOM 1553 C GLY A 105 20.110 9.684 20.811 1.00 0.00 C ATOM 1554 O GLY A 105 18.916 9.619 21.106 1.00 0.00 O ATOM 0 H GLY A 105 19.712 12.807 20.339 1.00 0.00 H new ATOM 0 HA2 GLY A 105 21.639 10.831 19.851 1.00 0.00 H new ATOM 0 HA3 GLY A 105 21.145 11.456 21.412 1.00 0.00 H new ATOM 1558 N PRO A 106 20.892 8.595 20.753 1.00 0.00 N ATOM 1559 CA PRO A 106 20.393 7.245 21.034 1.00 0.00 C ATOM 1560 C PRO A 106 20.059 7.047 22.509 1.00 0.00 C ATOM 1561 O PRO A 106 20.378 7.890 23.346 1.00 0.00 O ATOM 1562 CB PRO A 106 21.559 6.343 20.623 1.00 0.00 C ATOM 1563 CG PRO A 106 22.768 7.205 20.754 1.00 0.00 C ATOM 1564 CD PRO A 106 22.323 8.598 20.408 1.00 0.00 C ATOM 0 HA PRO A 106 19.466 7.034 20.502 1.00 0.00 H new ATOM 0 HB2 PRO A 106 21.627 5.465 21.266 1.00 0.00 H new ATOM 0 HB3 PRO A 106 21.439 5.981 19.602 1.00 0.00 H new ATOM 0 HG2 PRO A 106 23.169 7.164 21.767 1.00 0.00 H new ATOM 0 HG3 PRO A 106 23.560 6.871 20.084 1.00 0.00 H new ATOM 0 HD2 PRO A 106 22.872 9.348 20.977 1.00 0.00 H new ATOM 0 HD3 PRO A 106 22.481 8.820 19.353 1.00 0.00 H new ATOM 1572 N SER A 107 19.415 5.926 22.820 1.00 0.00 N ATOM 1573 CA SER A 107 19.036 5.619 24.193 1.00 0.00 C ATOM 1574 C SER A 107 18.799 4.122 24.370 1.00 0.00 C ATOM 1575 O SER A 107 18.673 3.383 23.393 1.00 0.00 O ATOM 1576 CB SER A 107 17.776 6.395 24.583 1.00 0.00 C ATOM 1577 OG SER A 107 18.102 7.549 25.339 1.00 0.00 O ATOM 0 H SER A 107 19.145 5.216 22.139 1.00 0.00 H new ATOM 0 HA SER A 107 19.856 5.919 24.845 1.00 0.00 H new ATOM 0 HB2 SER A 107 17.232 6.687 23.685 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.114 5.752 25.162 1.00 0.00 H new ATOM 0 HG SER A 107 18.890 7.983 24.950 1.00 0.00 H new ATOM 1583 N SER A 108 18.740 3.682 25.622 1.00 0.00 N ATOM 1584 CA SER A 108 18.522 2.273 25.928 1.00 0.00 C ATOM 1585 C SER A 108 19.754 1.444 25.577 1.00 0.00 C ATOM 1586 O SER A 108 20.681 1.932 24.933 1.00 0.00 O ATOM 1587 CB SER A 108 17.305 1.746 25.165 1.00 0.00 C ATOM 1588 OG SER A 108 16.653 0.719 25.892 1.00 0.00 O ATOM 0 H SER A 108 18.840 4.281 26.442 1.00 0.00 H new ATOM 0 HA SER A 108 18.338 2.183 26.999 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.608 2.563 24.978 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.618 1.365 24.193 1.00 0.00 H new ATOM 0 HG SER A 108 15.878 0.400 25.384 1.00 0.00 H new ATOM 1594 N GLY A 109 19.754 0.185 26.007 1.00 0.00 N ATOM 1595 CA GLY A 109 20.877 -0.692 25.729 1.00 0.00 C ATOM 1596 C GLY A 109 20.594 -2.133 26.107 1.00 0.00 C ATOM 1597 O GLY A 109 21.505 -2.959 26.155 1.00 0.00 O ATOM 0 H GLY A 109 18.998 -0.242 26.542 1.00 0.00 H new ATOM 0 HA2 GLY A 109 21.122 -0.639 24.668 1.00 0.00 H new ATOM 0 HA3 GLY A 109 21.752 -0.341 26.276 1.00 0.00 H new TER 1601 GLY A 109