USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 54 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-3.1!) USER MOD Set 1.2: A 58 SER OG : rot 160:sc= 0 USER MOD Set 1.3: A 69 TYR OH : rot 80:sc= -0.0709 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= -0.0956 USER MOD Set 2.2: A 86 GLN : amide:sc= -0.539 K(o=-0.63,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.026) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.319 F(o=-2.1,f=-0.32) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 46 SER OG : rot 99:sc= 1.2 USER MOD Single : A 53 GLN : amide:sc= -0.631 K(o=-0.63,f=-8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.9!) USER MOD Single : A 63 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.0326 X(o=0.033,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 75:sc= 1.03 USER MOD Single : A 75 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-0.17) USER MOD Single : A 76 THR OG1 : rot 72:sc= -2.04! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -73:sc= -2.86 USER MOD Single : A 82 MET CE :methyl 145:sc= -0.275 (180deg=-0.615) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -2.2 F(o=-3.1!,f=-2.2) USER MOD Single : A 103 HIS : no HD1:sc= -1.8! X(o=-1.8!,f=-1.5) USER MOD Single : A 105 ASN : amide:sc= -7.33 K(o=-7.3,f=-15!) USER MOD Single : A 109 MET CE :methyl -115:sc= -5.64! (180deg=-11.2!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -87:sc= 0.589 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -151:sc= -0.387 (180deg=-1.74) USER MOD Single : A 124 GLN : amide:sc= 0.0564 X(o=0.056,f=-0.017) USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.729 F(o=-1.5,f=-0.73) USER MOD Single : A 127 MET CE :methyl -149:sc= -1.62 (180deg=-3.44!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.860 10.646 -6.941 1.00 0.00 N ATOM 44 CA THR A 32 -16.012 10.451 -6.066 1.00 0.00 C ATOM 45 C THR A 32 -15.601 9.780 -4.761 1.00 0.00 C ATOM 46 O THR A 32 -14.513 9.213 -4.658 1.00 0.00 O ATOM 47 CB THR A 32 -17.078 9.607 -6.769 1.00 0.00 C ATOM 48 OG1 THR A 32 -18.231 9.479 -5.956 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.605 8.212 -7.116 1.00 0.00 C ATOM 0 HA THR A 32 -16.426 11.432 -5.835 1.00 0.00 H new ATOM 0 HB THR A 32 -17.303 10.137 -7.694 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.902 8.938 -6.423 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.409 7.668 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.745 8.275 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.320 7.687 -6.204 1.00 0.00 H new ATOM 57 N SER A 33 -16.481 9.845 -3.767 1.00 0.00 N ATOM 58 CA SER A 33 -16.212 9.241 -2.467 1.00 0.00 C ATOM 59 C SER A 33 -15.992 7.739 -2.605 1.00 0.00 C ATOM 60 O SER A 33 -15.154 7.157 -1.915 1.00 0.00 O ATOM 61 CB SER A 33 -17.372 9.510 -1.507 1.00 0.00 C ATOM 62 OG SER A 33 -17.400 10.870 -1.108 1.00 0.00 O ATOM 0 H SER A 33 -17.386 10.310 -3.837 1.00 0.00 H new ATOM 0 HA SER A 33 -15.304 9.690 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.314 9.250 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.276 8.872 -0.628 1.00 0.00 H new ATOM 0 HG SER A 33 -18.151 11.016 -0.496 1.00 0.00 H new ATOM 68 N SER A 34 -16.749 7.117 -3.503 1.00 0.00 N ATOM 69 CA SER A 34 -16.635 5.682 -3.733 1.00 0.00 C ATOM 70 C SER A 34 -15.274 5.337 -4.326 1.00 0.00 C ATOM 71 O SER A 34 -14.716 4.277 -4.046 1.00 0.00 O ATOM 72 CB SER A 34 -17.750 5.203 -4.666 1.00 0.00 C ATOM 73 OG SER A 34 -18.359 4.024 -4.170 1.00 0.00 O ATOM 0 H SER A 34 -17.447 7.584 -4.082 1.00 0.00 H new ATOM 0 HA SER A 34 -16.734 5.174 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.500 5.986 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.342 5.015 -5.659 1.00 0.00 H new ATOM 0 HG SER A 34 -19.069 3.740 -4.783 1.00 0.00 H new ATOM 79 N GLN A 35 -14.747 6.241 -5.146 1.00 0.00 N ATOM 80 CA GLN A 35 -13.450 6.036 -5.781 1.00 0.00 C ATOM 81 C GLN A 35 -12.325 6.127 -4.761 1.00 0.00 C ATOM 82 O GLN A 35 -11.353 5.373 -4.824 1.00 0.00 O ATOM 83 CB GLN A 35 -13.238 7.063 -6.888 1.00 0.00 C ATOM 84 CG GLN A 35 -11.906 6.920 -7.608 1.00 0.00 C ATOM 85 CD GLN A 35 -12.058 6.885 -9.116 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.397 6.104 -9.800 1.00 0.00 O ATOM 87 NE2 GLN A 35 -12.932 7.734 -9.643 1.00 0.00 N ATOM 0 H GLN A 35 -15.199 7.123 -5.386 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.438 5.036 -6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.045 6.973 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.304 8.064 -6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.257 7.751 -7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.414 6.006 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.459 8.364 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.077 7.756 -10.652 1.00 0.00 H new ATOM 96 N LEU A 36 -12.464 7.050 -3.815 1.00 0.00 N ATOM 97 CA LEU A 36 -11.460 7.230 -2.775 1.00 0.00 C ATOM 98 C LEU A 36 -11.171 5.901 -2.089 1.00 0.00 C ATOM 99 O LEU A 36 -10.017 5.494 -1.951 1.00 0.00 O ATOM 100 CB LEU A 36 -11.940 8.254 -1.744 1.00 0.00 C ATOM 101 CG LEU A 36 -11.522 9.699 -2.018 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.018 9.858 -1.864 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.967 10.128 -3.408 1.00 0.00 C ATOM 0 H LEU A 36 -13.261 7.683 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.544 7.598 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.028 8.211 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.562 7.963 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.011 10.343 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.739 10.893 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.726 9.592 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.509 9.203 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.661 11.159 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.507 9.479 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.052 10.054 -3.482 1.00 0.00 H new ATOM 115 N LEU A 37 -12.234 5.227 -1.666 1.00 0.00 N ATOM 116 CA LEU A 37 -12.107 3.940 -1.000 1.00 0.00 C ATOM 117 C LEU A 37 -11.927 2.808 -2.010 1.00 0.00 C ATOM 118 O LEU A 37 -11.394 1.751 -1.673 1.00 0.00 O ATOM 119 CB LEU A 37 -13.330 3.672 -0.122 1.00 0.00 C ATOM 120 CG LEU A 37 -14.666 3.622 -0.868 1.00 0.00 C ATOM 121 CD1 LEU A 37 -15.070 2.181 -1.139 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.747 4.343 -0.074 1.00 0.00 C ATOM 0 H LEU A 37 -13.195 5.553 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.218 3.976 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.185 2.724 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.387 4.448 0.642 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.547 4.130 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.022 2.164 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.306 1.697 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.172 1.648 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.690 4.298 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.866 3.863 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.460 5.385 0.069 1.00 0.00 H new ATOM 134 N SER A 38 -12.370 3.025 -3.251 1.00 0.00 N ATOM 135 CA SER A 38 -12.242 2.001 -4.282 1.00 0.00 C ATOM 136 C SER A 38 -10.775 1.670 -4.532 1.00 0.00 C ATOM 137 O SER A 38 -10.398 0.501 -4.620 1.00 0.00 O ATOM 138 CB SER A 38 -12.906 2.458 -5.582 1.00 0.00 C ATOM 139 OG SER A 38 -13.991 1.614 -5.926 1.00 0.00 O ATOM 0 H SER A 38 -12.814 3.890 -3.560 1.00 0.00 H new ATOM 0 HA SER A 38 -12.747 1.102 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.260 3.483 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.172 2.458 -6.388 1.00 0.00 H new ATOM 0 HG SER A 38 -14.399 1.929 -6.760 1.00 0.00 H new ATOM 145 N VAL A 39 -9.952 2.706 -4.640 1.00 0.00 N ATOM 146 CA VAL A 39 -8.526 2.524 -4.874 1.00 0.00 C ATOM 147 C VAL A 39 -7.835 2.006 -3.618 1.00 0.00 C ATOM 148 O VAL A 39 -6.930 1.176 -3.693 1.00 0.00 O ATOM 149 CB VAL A 39 -7.853 3.836 -5.318 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.402 3.591 -5.702 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.619 4.463 -6.472 1.00 0.00 C ATOM 0 H VAL A 39 -10.248 3.680 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.424 1.791 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.868 4.532 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.944 4.530 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.861 3.190 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.359 2.877 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.130 5.389 -6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.637 3.772 -7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.640 4.678 -6.157 1.00 0.00 H new ATOM 161 N ARG A 40 -8.272 2.495 -2.461 1.00 0.00 N ATOM 162 CA ARG A 40 -7.695 2.067 -1.194 1.00 0.00 C ATOM 163 C ARG A 40 -8.011 0.593 -0.940 1.00 0.00 C ATOM 164 O ARG A 40 -7.278 -0.096 -0.230 1.00 0.00 O ATOM 165 CB ARG A 40 -8.207 2.953 -0.044 1.00 0.00 C ATOM 166 CG ARG A 40 -8.350 2.241 1.296 1.00 0.00 C ATOM 167 CD ARG A 40 -9.759 1.708 1.497 1.00 0.00 C ATOM 168 NE ARG A 40 -9.880 0.938 2.733 1.00 0.00 N ATOM 169 CZ ARG A 40 -11.036 0.698 3.348 1.00 0.00 C ATOM 170 NH1 ARG A 40 -12.174 1.159 2.843 1.00 0.00 N ATOM 171 NH2 ARG A 40 -11.054 -0.005 4.472 1.00 0.00 N ATOM 0 H ARG A 40 -9.019 3.184 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.612 2.177 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.525 3.795 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.176 3.366 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.638 1.418 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.102 2.930 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.462 2.540 1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.034 1.080 0.650 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.028 0.562 3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.166 1.701 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.056 0.971 3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.183 -0.361 4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.939 -0.189 4.944 1.00 0.00 H new ATOM 185 N HIS A 41 -9.100 0.114 -1.535 1.00 0.00 N ATOM 186 CA HIS A 41 -9.502 -1.277 -1.381 1.00 0.00 C ATOM 187 C HIS A 41 -8.586 -2.187 -2.192 1.00 0.00 C ATOM 188 O HIS A 41 -8.279 -3.305 -1.781 1.00 0.00 O ATOM 189 CB HIS A 41 -10.954 -1.465 -1.827 1.00 0.00 C ATOM 190 CG HIS A 41 -11.949 -1.283 -0.723 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.920 -0.354 -0.550 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.021 -2.117 0.373 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.553 -0.643 0.634 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.993 -1.711 1.171 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.718 0.669 -2.127 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.421 -1.544 -0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.175 -0.756 -2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.070 -2.464 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.382 -2.969 0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.376 -0.086 1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.264 -2.148 2.052 1.00 0.00 H new ATOM 203 N GLN A 42 -8.149 -1.692 -3.347 1.00 0.00 N ATOM 204 CA GLN A 42 -7.263 -2.452 -4.220 1.00 0.00 C ATOM 205 C GLN A 42 -5.818 -2.359 -3.736 1.00 0.00 C ATOM 206 O GLN A 42 -5.034 -3.294 -3.898 1.00 0.00 O ATOM 207 CB GLN A 42 -7.378 -1.947 -5.665 1.00 0.00 C ATOM 208 CG GLN A 42 -6.681 -0.618 -5.923 1.00 0.00 C ATOM 209 CD GLN A 42 -6.331 -0.420 -7.385 1.00 0.00 C ATOM 210 OE1 GLN A 42 -7.050 -0.876 -8.274 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.222 0.263 -7.641 1.00 0.00 N ATOM 0 H GLN A 42 -8.395 -0.767 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.566 -3.499 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.960 -2.699 -6.334 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.433 -1.846 -5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.326 0.197 -5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.771 -0.566 -5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.656 0.623 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.936 0.428 -8.606 1.00 0.00 H new ATOM 220 N LEU A 43 -5.477 -1.219 -3.143 1.00 0.00 N ATOM 221 CA LEU A 43 -4.131 -0.990 -2.634 1.00 0.00 C ATOM 222 C LEU A 43 -3.922 -1.716 -1.308 1.00 0.00 C ATOM 223 O LEU A 43 -3.119 -2.645 -1.218 1.00 0.00 O ATOM 224 CB LEU A 43 -3.889 0.515 -2.458 1.00 0.00 C ATOM 225 CG LEU A 43 -2.429 0.988 -2.537 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.825 1.080 -1.147 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.592 0.072 -3.419 1.00 0.00 C ATOM 0 H LEU A 43 -6.117 -0.438 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.416 -1.386 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.461 1.044 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.293 0.815 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.426 1.980 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.791 1.416 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.396 1.790 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.854 0.099 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.565 0.437 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.605 -0.938 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.005 0.061 -4.428 1.00 0.00 H new ATOM 239 N ALA A 44 -4.652 -1.288 -0.281 1.00 0.00 N ATOM 240 CA ALA A 44 -4.551 -1.896 1.044 1.00 0.00 C ATOM 241 C ALA A 44 -4.588 -3.420 0.967 1.00 0.00 C ATOM 242 O ALA A 44 -3.789 -4.102 1.609 1.00 0.00 O ATOM 243 CB ALA A 44 -5.669 -1.388 1.941 1.00 0.00 C ATOM 0 H ALA A 44 -5.321 -0.521 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.590 -1.608 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.583 -1.848 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.593 -0.305 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.633 -1.646 1.503 1.00 0.00 H new ATOM 249 N GLU A 45 -5.519 -3.950 0.179 1.00 0.00 N ATOM 250 CA GLU A 45 -5.655 -5.394 0.022 1.00 0.00 C ATOM 251 C GLU A 45 -4.341 -6.017 -0.439 1.00 0.00 C ATOM 252 O GLU A 45 -3.897 -7.028 0.104 1.00 0.00 O ATOM 253 CB GLU A 45 -6.765 -5.720 -0.978 1.00 0.00 C ATOM 254 CG GLU A 45 -8.147 -5.797 -0.349 1.00 0.00 C ATOM 255 CD GLU A 45 -9.167 -6.451 -1.261 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.618 -5.788 -2.218 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.515 -7.626 -1.017 1.00 0.00 O ATOM 0 H GLU A 45 -6.189 -3.402 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.917 -5.815 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.773 -4.961 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.541 -6.672 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.087 -6.358 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.483 -4.792 -0.096 1.00 0.00 H new ATOM 264 N SER A 46 -3.724 -5.403 -1.443 1.00 0.00 N ATOM 265 CA SER A 46 -2.460 -5.895 -1.977 1.00 0.00 C ATOM 266 C SER A 46 -1.310 -5.597 -1.018 1.00 0.00 C ATOM 267 O SER A 46 -0.287 -6.281 -1.031 1.00 0.00 O ATOM 268 CB SER A 46 -2.178 -5.263 -3.341 1.00 0.00 C ATOM 269 OG SER A 46 -3.351 -5.219 -4.135 1.00 0.00 O ATOM 0 H SER A 46 -4.079 -4.564 -1.903 1.00 0.00 H new ATOM 0 HA SER A 46 -2.541 -6.976 -2.094 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.790 -4.254 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.407 -5.834 -3.858 1.00 0.00 H new ATOM 0 HG SER A 46 -3.744 -4.322 -4.089 1.00 0.00 H new ATOM 275 N ALA A 47 -1.483 -4.572 -0.188 1.00 0.00 N ATOM 276 CA ALA A 47 -0.458 -4.188 0.775 1.00 0.00 C ATOM 277 C ALA A 47 -0.389 -5.183 1.931 1.00 0.00 C ATOM 278 O ALA A 47 -0.650 -4.833 3.082 1.00 0.00 O ATOM 279 CB ALA A 47 -0.722 -2.782 1.297 1.00 0.00 C ATOM 0 H ALA A 47 -2.323 -3.994 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 47 0.506 -4.198 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.051 -2.509 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.710 -2.077 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.696 -2.752 1.784 1.00 0.00 H new ATOM 285 N GLY A 48 -0.034 -6.425 1.616 1.00 0.00 N ATOM 286 CA GLY A 48 0.065 -7.450 2.638 1.00 0.00 C ATOM 287 C GLY A 48 0.508 -8.788 2.079 1.00 0.00 C ATOM 288 O GLY A 48 -0.221 -9.421 1.316 1.00 0.00 O ATOM 0 H GLY A 48 0.187 -6.739 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.771 -7.128 3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.903 -7.566 3.126 1.00 0.00 H new ATOM 292 N LEU A 49 1.706 -9.221 2.462 1.00 0.00 N ATOM 293 CA LEU A 49 2.243 -10.495 1.996 1.00 0.00 C ATOM 294 C LEU A 49 1.322 -11.645 2.403 1.00 0.00 C ATOM 295 O LEU A 49 0.658 -11.580 3.437 1.00 0.00 O ATOM 296 CB LEU A 49 3.648 -10.721 2.565 1.00 0.00 C ATOM 297 CG LEU A 49 4.789 -10.065 1.779 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.724 -10.452 0.309 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.747 -8.552 1.934 1.00 0.00 C ATOM 0 H LEU A 49 2.322 -8.709 3.093 1.00 0.00 H new ATOM 0 HA LEU A 49 2.304 -10.465 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.672 -10.346 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.833 -11.794 2.614 1.00 0.00 H new ATOM 0 HG LEU A 49 5.733 -10.427 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.543 -9.975 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.809 -11.535 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.774 -10.124 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.565 -8.105 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.797 -8.174 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.849 -8.291 2.987 1.00 0.00 H new ATOM 311 N PRO A 50 1.264 -12.715 1.590 1.00 0.00 N ATOM 312 CA PRO A 50 0.411 -13.874 1.874 1.00 0.00 C ATOM 313 C PRO A 50 0.795 -14.577 3.178 1.00 0.00 C ATOM 314 O PRO A 50 0.216 -14.302 4.229 1.00 0.00 O ATOM 315 CB PRO A 50 0.627 -14.795 0.665 1.00 0.00 C ATOM 316 CG PRO A 50 1.919 -14.352 0.066 1.00 0.00 C ATOM 317 CD PRO A 50 2.015 -12.877 0.335 1.00 0.00 C ATOM 0 HA PRO A 50 -0.631 -13.586 2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.671 -15.841 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.191 -14.705 -0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.759 -14.885 0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.943 -14.556 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.050 -12.553 0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.579 -12.291 -0.474 1.00 0.00 H new ATOM 325 N ARG A 51 1.768 -15.485 3.111 1.00 0.00 N ATOM 326 CA ARG A 51 2.210 -16.213 4.295 1.00 0.00 C ATOM 327 C ARG A 51 3.696 -16.552 4.210 1.00 0.00 C ATOM 328 O ARG A 51 4.527 -15.908 4.851 1.00 0.00 O ATOM 329 CB ARG A 51 1.387 -17.493 4.467 1.00 0.00 C ATOM 330 CG ARG A 51 0.438 -17.450 5.654 1.00 0.00 C ATOM 331 CD ARG A 51 -0.037 -18.841 6.039 1.00 0.00 C ATOM 332 NE ARG A 51 0.876 -19.491 6.977 1.00 0.00 N ATOM 333 CZ ARG A 51 0.545 -20.539 7.728 1.00 0.00 C ATOM 334 NH1 ARG A 51 -0.676 -21.057 7.656 1.00 0.00 N ATOM 335 NH2 ARG A 51 1.436 -21.070 8.554 1.00 0.00 N ATOM 0 H ARG A 51 2.262 -15.732 2.253 1.00 0.00 H new ATOM 0 HA ARG A 51 2.057 -15.571 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.812 -17.670 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.065 -18.338 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.939 -16.987 6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.422 -16.825 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.029 -18.775 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.132 -19.453 5.142 1.00 0.00 H new ATOM 0 HE ARG A 51 1.822 -19.120 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.365 -20.652 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.924 -21.860 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.375 -20.675 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.183 -21.873 9.130 1.00 0.00 H new ATOM 349 N ASP A 52 4.022 -17.570 3.419 1.00 0.00 N ATOM 350 CA ASP A 52 5.406 -18.002 3.252 1.00 0.00 C ATOM 351 C ASP A 52 6.305 -16.836 2.850 1.00 0.00 C ATOM 352 O ASP A 52 7.468 -16.770 3.250 1.00 0.00 O ATOM 353 CB ASP A 52 5.492 -19.110 2.202 1.00 0.00 C ATOM 354 CG ASP A 52 4.534 -20.250 2.485 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.330 -20.101 2.190 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.989 -21.293 3.001 1.00 0.00 O ATOM 0 H ASP A 52 3.345 -18.112 2.882 1.00 0.00 H new ATOM 0 HA ASP A 52 5.754 -18.387 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.275 -18.693 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.511 -19.495 2.167 1.00 0.00 H new ATOM 361 N GLN A 53 5.761 -15.919 2.057 1.00 0.00 N ATOM 362 CA GLN A 53 6.517 -14.758 1.602 1.00 0.00 C ATOM 363 C GLN A 53 7.032 -13.944 2.785 1.00 0.00 C ATOM 364 O GLN A 53 8.125 -13.379 2.734 1.00 0.00 O ATOM 365 CB GLN A 53 5.649 -13.877 0.702 1.00 0.00 C ATOM 366 CG GLN A 53 5.747 -14.231 -0.772 1.00 0.00 C ATOM 367 CD GLN A 53 4.893 -15.427 -1.143 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.754 -16.370 -0.365 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.316 -15.393 -2.339 1.00 0.00 N ATOM 0 H GLN A 53 4.800 -15.957 1.716 1.00 0.00 H new ATOM 0 HA GLN A 53 7.373 -15.117 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.609 -13.961 1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.940 -12.835 0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.441 -13.372 -1.369 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.787 -14.440 -1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.459 -14.590 -2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.730 -16.170 -2.645 1.00 0.00 H new ATOM 378 N HIS A 54 6.239 -13.888 3.850 1.00 0.00 N ATOM 379 CA HIS A 54 6.617 -13.142 5.045 1.00 0.00 C ATOM 380 C HIS A 54 7.601 -13.939 5.895 1.00 0.00 C ATOM 381 O HIS A 54 8.507 -13.374 6.508 1.00 0.00 O ATOM 382 CB HIS A 54 5.377 -12.797 5.872 1.00 0.00 C ATOM 383 CG HIS A 54 5.681 -11.976 7.087 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.453 -12.438 8.133 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.316 -10.715 7.420 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.549 -11.497 9.055 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.868 -10.442 8.647 1.00 0.00 N ATOM 0 H HIS A 54 5.331 -14.350 3.910 1.00 0.00 H new ATOM 0 HA HIS A 54 7.102 -12.219 4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.670 -12.255 5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.887 -13.720 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.705 -10.048 6.830 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.092 -11.577 9.985 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.768 -9.566 9.160 1.00 0.00 H new ATOM 396 N GLU A 55 7.416 -15.255 5.928 1.00 0.00 N ATOM 397 CA GLU A 55 8.286 -16.132 6.703 1.00 0.00 C ATOM 398 C GLU A 55 9.740 -16.009 6.250 1.00 0.00 C ATOM 399 O GLU A 55 10.660 -16.365 6.986 1.00 0.00 O ATOM 400 CB GLU A 55 7.820 -17.585 6.578 1.00 0.00 C ATOM 401 CG GLU A 55 7.147 -18.118 7.832 1.00 0.00 C ATOM 402 CD GLU A 55 7.301 -19.619 7.983 1.00 0.00 C ATOM 403 OE1 GLU A 55 7.129 -20.337 6.975 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.593 -20.076 9.108 1.00 0.00 O ATOM 0 H GLU A 55 6.670 -15.738 5.426 1.00 0.00 H new ATOM 0 HA GLU A 55 8.228 -15.825 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.126 -17.664 5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.678 -18.214 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.571 -17.623 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.087 -17.866 7.806 1.00 0.00 H new ATOM 411 N PHE A 56 9.942 -15.509 5.034 1.00 0.00 N ATOM 412 CA PHE A 56 11.285 -15.348 4.488 1.00 0.00 C ATOM 413 C PHE A 56 11.781 -13.914 4.668 1.00 0.00 C ATOM 414 O PHE A 56 12.812 -13.678 5.293 1.00 0.00 O ATOM 415 CB PHE A 56 11.297 -15.746 3.002 1.00 0.00 C ATOM 416 CG PHE A 56 12.198 -14.905 2.136 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.577 -15.016 2.230 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.663 -14.005 1.228 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.404 -14.245 1.435 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.485 -13.232 0.430 1.00 0.00 C ATOM 421 CZ PHE A 56 13.857 -13.352 0.534 1.00 0.00 C ATOM 0 H PHE A 56 9.194 -15.209 4.409 1.00 0.00 H new ATOM 0 HA PHE A 56 11.963 -16.004 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.606 -16.788 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.280 -15.684 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.010 -15.713 2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.591 -13.907 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.477 -14.341 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.055 -12.535 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.501 -12.749 -0.088 1.00 0.00 H new ATOM 431 N VAL A 57 11.046 -12.963 4.106 1.00 0.00 N ATOM 432 CA VAL A 57 11.417 -11.554 4.190 1.00 0.00 C ATOM 433 C VAL A 57 11.562 -11.075 5.635 1.00 0.00 C ATOM 434 O VAL A 57 12.137 -10.015 5.883 1.00 0.00 O ATOM 435 CB VAL A 57 10.388 -10.662 3.466 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.027 -10.754 4.139 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.871 -9.220 3.416 1.00 0.00 C ATOM 0 H VAL A 57 10.187 -13.141 3.586 1.00 0.00 H new ATOM 0 HA VAL A 57 12.387 -11.467 3.700 1.00 0.00 H new ATOM 0 HB VAL A 57 10.283 -11.022 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.317 -10.117 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.677 -11.786 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.110 -10.425 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.132 -8.606 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.009 -8.847 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.819 -9.172 2.880 1.00 0.00 H new ATOM 447 N SER A 58 11.034 -11.840 6.588 1.00 0.00 N ATOM 448 CA SER A 58 11.110 -11.454 7.994 1.00 0.00 C ATOM 449 C SER A 58 11.942 -12.437 8.816 1.00 0.00 C ATOM 450 O SER A 58 12.694 -12.033 9.702 1.00 0.00 O ATOM 451 CB SER A 58 9.704 -11.347 8.587 1.00 0.00 C ATOM 452 OG SER A 58 9.753 -11.223 9.998 1.00 0.00 O ATOM 0 H SER A 58 10.553 -12.723 6.414 1.00 0.00 H new ATOM 0 HA SER A 58 11.604 -10.483 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.191 -10.485 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.124 -12.229 8.316 1.00 0.00 H new ATOM 0 HG SER A 58 8.910 -10.843 10.322 1.00 0.00 H new ATOM 458 N SER A 59 11.792 -13.727 8.536 1.00 0.00 N ATOM 459 CA SER A 59 12.522 -14.755 9.275 1.00 0.00 C ATOM 460 C SER A 59 13.800 -15.187 8.555 1.00 0.00 C ATOM 461 O SER A 59 14.617 -15.914 9.121 1.00 0.00 O ATOM 462 CB SER A 59 11.624 -15.971 9.511 1.00 0.00 C ATOM 463 OG SER A 59 11.771 -16.465 10.832 1.00 0.00 O ATOM 0 H SER A 59 11.175 -14.086 7.807 1.00 0.00 H new ATOM 0 HA SER A 59 12.814 -14.320 10.231 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.583 -15.698 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.873 -16.755 8.796 1.00 0.00 H new ATOM 0 HG SER A 59 11.186 -17.241 10.958 1.00 0.00 H new ATOM 469 N GLN A 60 13.972 -14.752 7.311 1.00 0.00 N ATOM 470 CA GLN A 60 15.157 -15.119 6.539 1.00 0.00 C ATOM 471 C GLN A 60 15.908 -13.884 6.046 1.00 0.00 C ATOM 472 O GLN A 60 17.044 -13.635 6.452 1.00 0.00 O ATOM 473 CB GLN A 60 14.759 -15.995 5.350 1.00 0.00 C ATOM 474 CG GLN A 60 14.437 -17.430 5.733 1.00 0.00 C ATOM 475 CD GLN A 60 15.680 -18.268 5.956 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.741 -17.747 6.297 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.554 -19.576 5.762 1.00 0.00 N ATOM 0 H GLN A 60 13.313 -14.150 6.818 1.00 0.00 H new ATOM 0 HA GLN A 60 15.823 -15.679 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.891 -15.555 4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.570 -15.995 4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.834 -17.433 6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.833 -17.885 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.655 -19.965 5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.357 -20.191 5.896 1.00 0.00 H new ATOM 486 N ALA A 61 15.271 -13.122 5.162 1.00 0.00 N ATOM 487 CA ALA A 61 15.875 -11.917 4.598 1.00 0.00 C ATOM 488 C ALA A 61 16.555 -11.067 5.671 1.00 0.00 C ATOM 489 O ALA A 61 16.140 -11.064 6.830 1.00 0.00 O ATOM 490 CB ALA A 61 14.823 -11.097 3.867 1.00 0.00 C ATOM 0 H ALA A 61 14.331 -13.319 4.818 1.00 0.00 H new ATOM 0 HA ALA A 61 16.643 -12.232 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.284 -10.201 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.393 -11.692 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.036 -10.809 4.565 1.00 0.00 H new ATOM 496 N PRO A 62 17.615 -10.332 5.292 1.00 0.00 N ATOM 497 CA PRO A 62 18.359 -9.473 6.220 1.00 0.00 C ATOM 498 C PRO A 62 17.569 -8.232 6.623 1.00 0.00 C ATOM 499 O PRO A 62 16.623 -7.837 5.941 1.00 0.00 O ATOM 500 CB PRO A 62 19.600 -9.079 5.419 1.00 0.00 C ATOM 501 CG PRO A 62 19.171 -9.157 3.996 1.00 0.00 C ATOM 502 CD PRO A 62 18.173 -10.281 3.926 1.00 0.00 C ATOM 0 HA PRO A 62 18.583 -9.983 7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.936 -8.075 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.432 -9.754 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.724 -8.217 3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.021 -9.349 3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.399 -10.085 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.648 -11.223 3.651 1.00 0.00 H new ATOM 510 N GLN A 63 17.964 -7.622 7.738 1.00 0.00 N ATOM 511 CA GLN A 63 17.295 -6.424 8.238 1.00 0.00 C ATOM 512 C GLN A 63 17.132 -5.382 7.134 1.00 0.00 C ATOM 513 O GLN A 63 16.142 -4.650 7.100 1.00 0.00 O ATOM 514 CB GLN A 63 18.082 -5.826 9.405 1.00 0.00 C ATOM 515 CG GLN A 63 17.395 -4.637 10.057 1.00 0.00 C ATOM 516 CD GLN A 63 16.991 -4.909 11.493 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.528 -5.808 12.141 1.00 0.00 O ATOM 518 NE2 GLN A 63 16.040 -4.133 11.998 1.00 0.00 N ATOM 0 H GLN A 63 18.745 -7.938 8.313 1.00 0.00 H new ATOM 0 HA GLN A 63 16.303 -6.714 8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.244 -6.598 10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.065 -5.517 9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.063 -3.776 10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.510 -4.372 9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.622 -3.400 11.425 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.727 -4.270 12.959 1.00 0.00 H new ATOM 527 N SER A 64 18.107 -5.322 6.231 1.00 0.00 N ATOM 528 CA SER A 64 18.066 -4.371 5.126 1.00 0.00 C ATOM 529 C SER A 64 16.808 -4.573 4.288 1.00 0.00 C ATOM 530 O SER A 64 16.105 -3.616 3.959 1.00 0.00 O ATOM 531 CB SER A 64 19.308 -4.524 4.247 1.00 0.00 C ATOM 532 OG SER A 64 19.768 -3.264 3.788 1.00 0.00 O ATOM 0 H SER A 64 18.933 -5.920 6.243 1.00 0.00 H new ATOM 0 HA SER A 64 18.049 -3.364 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.098 -5.019 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.077 -5.163 3.394 1.00 0.00 H new ATOM 0 HG SER A 64 20.564 -3.390 3.230 1.00 0.00 H new ATOM 538 N LEU A 65 16.527 -5.827 3.952 1.00 0.00 N ATOM 539 CA LEU A 65 15.350 -6.162 3.160 1.00 0.00 C ATOM 540 C LEU A 65 14.078 -5.789 3.912 1.00 0.00 C ATOM 541 O LEU A 65 13.087 -5.371 3.312 1.00 0.00 O ATOM 542 CB LEU A 65 15.348 -7.657 2.826 1.00 0.00 C ATOM 543 CG LEU A 65 14.759 -8.030 1.462 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.241 -7.932 1.488 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.337 -7.147 0.365 1.00 0.00 C ATOM 0 H LEU A 65 17.099 -6.629 4.216 1.00 0.00 H new ATOM 0 HA LEU A 65 15.382 -5.593 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.374 -8.022 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.788 -8.183 3.599 1.00 0.00 H new ATOM 0 HG LEU A 65 15.031 -9.063 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.842 -8.201 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.845 -8.613 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.946 -6.911 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.905 -7.429 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.102 -6.104 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.419 -7.275 0.327 1.00 0.00 H new ATOM 557 N ARG A 66 14.116 -5.938 5.232 1.00 0.00 N ATOM 558 CA ARG A 66 12.971 -5.614 6.074 1.00 0.00 C ATOM 559 C ARG A 66 12.780 -4.104 6.166 1.00 0.00 C ATOM 560 O ARG A 66 11.655 -3.616 6.271 1.00 0.00 O ATOM 561 CB ARG A 66 13.156 -6.202 7.474 1.00 0.00 C ATOM 562 CG ARG A 66 13.562 -7.667 7.469 1.00 0.00 C ATOM 563 CD ARG A 66 13.941 -8.145 8.862 1.00 0.00 C ATOM 564 NE ARG A 66 15.178 -8.923 8.856 1.00 0.00 N ATOM 565 CZ ARG A 66 15.764 -9.391 9.955 1.00 0.00 C ATOM 566 NH1 ARG A 66 15.231 -9.164 11.149 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.888 -10.090 9.860 1.00 0.00 N ATOM 0 H ARG A 66 14.929 -6.282 5.742 1.00 0.00 H new ATOM 0 HA ARG A 66 12.081 -6.051 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.914 -5.625 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.225 -6.093 8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.740 -8.272 7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.405 -7.810 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.057 -7.285 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.133 -8.752 9.269 1.00 0.00 H new ATOM 0 HE ARG A 66 15.618 -9.119 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.367 -8.628 11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.685 -9.526 11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.302 -10.268 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.338 -10.449 10.702 1.00 0.00 H new ATOM 581 N ASN A 67 13.887 -3.369 6.125 1.00 0.00 N ATOM 582 CA ASN A 67 13.841 -1.912 6.202 1.00 0.00 C ATOM 583 C ASN A 67 12.933 -1.340 5.118 1.00 0.00 C ATOM 584 O ASN A 67 12.123 -0.450 5.379 1.00 0.00 O ATOM 585 CB ASN A 67 15.248 -1.328 6.067 1.00 0.00 C ATOM 586 CG ASN A 67 15.902 -1.077 7.412 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.576 -0.112 8.103 1.00 0.00 O ATOM 588 ND2 ASN A 67 16.831 -1.948 7.790 1.00 0.00 N ATOM 0 H ASN A 67 14.826 -3.757 6.039 1.00 0.00 H new ATOM 0 HA ASN A 67 13.434 -1.636 7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.868 -2.012 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.198 -0.392 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.306 -1.831 8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.070 -2.734 7.185 1.00 0.00 H new ATOM 595 N ARG A 68 13.071 -1.860 3.902 1.00 0.00 N ATOM 596 CA ARG A 68 12.259 -1.403 2.781 1.00 0.00 C ATOM 597 C ARG A 68 10.829 -1.925 2.896 1.00 0.00 C ATOM 598 O ARG A 68 9.887 -1.297 2.413 1.00 0.00 O ATOM 599 CB ARG A 68 12.879 -1.852 1.455 1.00 0.00 C ATOM 600 CG ARG A 68 12.851 -3.357 1.242 1.00 0.00 C ATOM 601 CD ARG A 68 13.031 -3.710 -0.226 1.00 0.00 C ATOM 602 NE ARG A 68 12.509 -5.038 -0.538 1.00 0.00 N ATOM 603 CZ ARG A 68 12.361 -5.503 -1.777 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.690 -4.750 -2.819 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.882 -6.723 -1.974 1.00 0.00 N ATOM 0 H ARG A 68 13.737 -2.597 3.669 1.00 0.00 H new ATOM 0 HA ARG A 68 12.230 -0.314 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.348 -1.369 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.912 -1.508 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.641 -3.825 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.904 -3.760 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.524 -2.967 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.090 -3.667 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 68 12.242 -5.644 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.058 -3.810 -2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.575 -5.111 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.627 -7.306 -1.177 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.769 -7.079 -2.923 1.00 0.00 H new ATOM 619 N TYR A 69 10.675 -3.077 3.544 1.00 0.00 N ATOM 620 CA TYR A 69 9.360 -3.685 3.729 1.00 0.00 C ATOM 621 C TYR A 69 8.411 -2.719 4.433 1.00 0.00 C ATOM 622 O TYR A 69 7.290 -2.493 3.978 1.00 0.00 O ATOM 623 CB TYR A 69 9.487 -4.979 4.539 1.00 0.00 C ATOM 624 CG TYR A 69 8.175 -5.700 4.759 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.200 -5.173 5.599 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.913 -6.912 4.131 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.004 -5.832 5.806 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.718 -7.576 4.333 1.00 0.00 C ATOM 629 CZ TYR A 69 5.768 -7.033 5.171 1.00 0.00 C ATOM 630 OH TYR A 69 4.577 -7.693 5.374 1.00 0.00 O ATOM 0 H TYR A 69 11.445 -3.609 3.950 1.00 0.00 H new ATOM 0 HA TYR A 69 8.949 -3.918 2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.177 -5.650 4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.929 -4.747 5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.381 -4.232 6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.655 -7.342 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.258 -5.409 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.529 -8.516 3.836 1.00 0.00 H new ATOM 0 HH TYR A 69 3.879 -7.288 4.817 1.00 0.00 H new ATOM 640 N ASN A 70 8.869 -2.154 5.545 1.00 0.00 N ATOM 641 CA ASN A 70 8.063 -1.213 6.314 1.00 0.00 C ATOM 642 C ASN A 70 8.032 0.156 5.641 1.00 0.00 C ATOM 643 O ASN A 70 7.025 0.862 5.695 1.00 0.00 O ATOM 644 CB ASN A 70 8.611 -1.086 7.738 1.00 0.00 C ATOM 645 CG ASN A 70 7.666 -1.664 8.774 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.515 -1.244 8.884 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.151 -2.634 9.541 1.00 0.00 N ATOM 0 H ASN A 70 9.795 -2.332 5.934 1.00 0.00 H new ATOM 0 HA ASN A 70 7.044 -1.596 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.572 -1.596 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.793 -0.035 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.562 -3.061 10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.112 -2.951 9.415 1.00 0.00 H new ATOM 654 N ASN A 71 9.141 0.526 5.007 1.00 0.00 N ATOM 655 CA ASN A 71 9.240 1.812 4.324 1.00 0.00 C ATOM 656 C ASN A 71 8.136 1.963 3.282 1.00 0.00 C ATOM 657 O ASN A 71 7.288 2.851 3.384 1.00 0.00 O ATOM 658 CB ASN A 71 10.609 1.954 3.656 1.00 0.00 C ATOM 659 CG ASN A 71 10.969 3.400 3.377 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.196 4.185 4.298 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.022 3.760 2.100 1.00 0.00 N ATOM 0 H ASN A 71 9.983 -0.046 4.952 1.00 0.00 H new ATOM 0 HA ASN A 71 9.122 2.599 5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.371 1.510 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.614 1.394 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.258 4.720 1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.826 3.076 1.369 1.00 0.00 H new ATOM 668 N LEU A 72 8.149 1.089 2.281 1.00 0.00 N ATOM 669 CA LEU A 72 7.147 1.125 1.222 1.00 0.00 C ATOM 670 C LEU A 72 5.738 1.082 1.807 1.00 0.00 C ATOM 671 O LEU A 72 4.825 1.736 1.303 1.00 0.00 O ATOM 672 CB LEU A 72 7.349 -0.043 0.255 1.00 0.00 C ATOM 673 CG LEU A 72 7.142 -1.432 0.862 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.660 -1.776 0.917 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.907 -2.478 0.066 1.00 0.00 C ATOM 0 H LEU A 72 8.842 0.347 2.181 1.00 0.00 H new ATOM 0 HA LEU A 72 7.266 2.060 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.662 0.076 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.359 0.012 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 72 7.528 -1.425 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.533 -2.767 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.138 -1.041 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.246 -1.766 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.749 -3.461 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.550 -2.484 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.971 -2.240 0.080 1.00 0.00 H new ATOM 687 N TYR A 73 5.569 0.310 2.877 1.00 0.00 N ATOM 688 CA TYR A 73 4.271 0.191 3.527 1.00 0.00 C ATOM 689 C TYR A 73 3.931 1.463 4.294 1.00 0.00 C ATOM 690 O TYR A 73 2.763 1.831 4.415 1.00 0.00 O ATOM 691 CB TYR A 73 4.247 -1.012 4.472 1.00 0.00 C ATOM 692 CG TYR A 73 2.851 -1.418 4.892 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.806 -1.427 3.976 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.578 -1.788 6.202 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.529 -1.793 4.353 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.303 -2.158 6.588 1.00 0.00 C ATOM 697 CZ TYR A 73 0.282 -2.158 5.660 1.00 0.00 C ATOM 698 OH TYR A 73 -0.989 -2.524 6.040 1.00 0.00 O ATOM 0 H TYR A 73 6.312 -0.239 3.309 1.00 0.00 H new ATOM 0 HA TYR A 73 3.521 0.041 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.732 -1.858 3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.832 -0.778 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.996 -1.143 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.375 -1.787 6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.272 -1.793 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.107 -2.445 7.610 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.992 -2.753 6.993 1.00 0.00 H new ATOM 708 N SER A 74 4.958 2.138 4.806 1.00 0.00 N ATOM 709 CA SER A 74 4.760 3.376 5.553 1.00 0.00 C ATOM 710 C SER A 74 3.904 4.347 4.749 1.00 0.00 C ATOM 711 O SER A 74 3.018 5.009 5.289 1.00 0.00 O ATOM 712 CB SER A 74 6.106 4.020 5.891 1.00 0.00 C ATOM 713 OG SER A 74 6.912 3.146 6.662 1.00 0.00 O ATOM 0 H SER A 74 5.932 1.849 4.717 1.00 0.00 H new ATOM 0 HA SER A 74 4.244 3.138 6.483 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.628 4.283 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.941 4.947 6.440 1.00 0.00 H new ATOM 0 HG SER A 74 7.267 2.436 6.087 1.00 0.00 H new ATOM 719 N HIS A 75 4.171 4.414 3.449 1.00 0.00 N ATOM 720 CA HIS A 75 3.420 5.290 2.559 1.00 0.00 C ATOM 721 C HIS A 75 2.064 4.676 2.223 1.00 0.00 C ATOM 722 O HIS A 75 1.106 5.387 1.924 1.00 0.00 O ATOM 723 CB HIS A 75 4.209 5.547 1.274 1.00 0.00 C ATOM 724 CG HIS A 75 5.576 6.110 1.512 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.432 6.464 0.490 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.235 6.381 2.663 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.558 6.926 1.002 1.00 0.00 C ATOM 728 NE2 HIS A 75 7.464 6.887 2.318 1.00 0.00 N ATOM 0 H HIS A 75 4.902 3.872 2.989 1.00 0.00 H new ATOM 0 HA HIS A 75 3.258 6.239 3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.301 4.612 0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.646 6.236 0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.863 6.228 3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.411 7.276 0.440 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.187 7.185 2.973 1.00 0.00 H new ATOM 737 N THR A 76 1.992 3.349 2.276 1.00 0.00 N ATOM 738 CA THR A 76 0.754 2.637 1.980 1.00 0.00 C ATOM 739 C THR A 76 -0.250 2.788 3.119 1.00 0.00 C ATOM 740 O THR A 76 -1.454 2.908 2.889 1.00 0.00 O ATOM 741 CB THR A 76 1.041 1.155 1.739 1.00 0.00 C ATOM 742 OG1 THR A 76 1.980 0.988 0.692 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.196 0.362 1.381 1.00 0.00 C ATOM 0 H THR A 76 2.777 2.745 2.521 1.00 0.00 H new ATOM 0 HA THR A 76 0.323 3.072 1.078 1.00 0.00 H new ATOM 0 HB THR A 76 1.436 0.778 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.868 1.263 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.074 -0.682 1.222 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.920 0.430 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.636 0.766 0.469 1.00 0.00 H new ATOM 751 N GLN A 77 0.251 2.771 4.348 1.00 0.00 N ATOM 752 CA GLN A 77 -0.601 2.898 5.525 1.00 0.00 C ATOM 753 C GLN A 77 -1.092 4.332 5.704 1.00 0.00 C ATOM 754 O GLN A 77 -2.132 4.567 6.321 1.00 0.00 O ATOM 755 CB GLN A 77 0.156 2.449 6.776 1.00 0.00 C ATOM 756 CG GLN A 77 1.440 3.225 7.020 1.00 0.00 C ATOM 757 CD GLN A 77 2.014 2.980 8.402 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.507 1.892 8.698 1.00 0.00 O ATOM 759 NE2 GLN A 77 1.953 3.995 9.256 1.00 0.00 N ATOM 0 H GLN A 77 1.244 2.670 4.556 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.470 2.257 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.495 2.558 7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.393 1.389 6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.178 2.945 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.246 4.290 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.535 4.880 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.324 3.890 10.200 1.00 0.00 H new ATOM 768 N ARG A 78 -0.338 5.290 5.172 1.00 0.00 N ATOM 769 CA ARG A 78 -0.705 6.698 5.289 1.00 0.00 C ATOM 770 C ARG A 78 -1.477 7.178 4.062 1.00 0.00 C ATOM 771 O ARG A 78 -2.327 8.063 4.163 1.00 0.00 O ATOM 772 CB ARG A 78 0.545 7.558 5.491 1.00 0.00 C ATOM 773 CG ARG A 78 1.478 7.572 4.291 1.00 0.00 C ATOM 774 CD ARG A 78 1.529 8.944 3.637 1.00 0.00 C ATOM 775 NE ARG A 78 2.591 9.778 4.194 1.00 0.00 N ATOM 776 CZ ARG A 78 2.934 10.967 3.705 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.303 11.465 2.649 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.911 11.661 4.272 1.00 0.00 N ATOM 0 H ARG A 78 0.526 5.119 4.658 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.355 6.800 6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.240 8.580 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.091 7.191 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.480 7.281 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.145 6.833 3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.684 8.828 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.569 9.444 3.768 1.00 0.00 H new ATOM 0 HE ARG A 78 3.100 9.428 5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.551 10.936 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.570 12.377 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.400 11.284 5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.173 12.572 3.897 1.00 0.00 H new ATOM 792 N THR A 79 -1.178 6.596 2.904 1.00 0.00 N ATOM 793 CA THR A 79 -1.850 6.978 1.666 1.00 0.00 C ATOM 794 C THR A 79 -3.326 6.591 1.702 1.00 0.00 C ATOM 795 O THR A 79 -4.196 7.397 1.372 1.00 0.00 O ATOM 796 CB THR A 79 -1.169 6.324 0.461 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.707 6.823 -0.751 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.307 4.819 0.437 1.00 0.00 C ATOM 0 H THR A 79 -0.478 5.862 2.797 1.00 0.00 H new ATOM 0 HA THR A 79 -1.779 8.061 1.569 1.00 0.00 H new ATOM 0 HB THR A 79 -0.112 6.574 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.602 6.449 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.802 4.421 -0.443 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.856 4.398 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.363 4.551 0.401 1.00 0.00 H new ATOM 806 N LEU A 80 -3.602 5.354 2.104 1.00 0.00 N ATOM 807 CA LEU A 80 -4.974 4.867 2.181 1.00 0.00 C ATOM 808 C LEU A 80 -5.787 5.684 3.179 1.00 0.00 C ATOM 809 O LEU A 80 -6.960 5.977 2.946 1.00 0.00 O ATOM 810 CB LEU A 80 -4.995 3.391 2.582 1.00 0.00 C ATOM 811 CG LEU A 80 -4.190 2.455 1.678 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.999 1.103 2.347 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.881 2.297 0.335 1.00 0.00 C ATOM 0 H LEU A 80 -2.895 4.673 2.381 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.424 4.976 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.614 3.303 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.030 3.051 2.599 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.206 2.894 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.424 0.450 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.463 1.235 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.972 0.654 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.297 1.629 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.876 1.878 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.966 3.271 -0.147 1.00 0.00 H new ATOM 825 N ASP A 81 -5.156 6.049 4.291 1.00 0.00 N ATOM 826 CA ASP A 81 -5.821 6.832 5.328 1.00 0.00 C ATOM 827 C ASP A 81 -6.383 8.130 4.756 1.00 0.00 C ATOM 828 O ASP A 81 -7.550 8.458 4.965 1.00 0.00 O ATOM 829 CB ASP A 81 -4.845 7.143 6.464 1.00 0.00 C ATOM 830 CG ASP A 81 -4.914 6.122 7.582 1.00 0.00 C ATOM 831 OD1 ASP A 81 -5.070 4.920 7.280 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.813 6.524 8.761 1.00 0.00 O ATOM 0 H ASP A 81 -4.185 5.815 4.497 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.649 6.241 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.830 7.176 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.063 8.133 6.866 1.00 0.00 H new ATOM 837 N MET A 82 -5.543 8.863 4.033 1.00 0.00 N ATOM 838 CA MET A 82 -5.954 10.126 3.430 1.00 0.00 C ATOM 839 C MET A 82 -7.145 9.926 2.497 1.00 0.00 C ATOM 840 O MET A 82 -7.935 10.844 2.278 1.00 0.00 O ATOM 841 CB MET A 82 -4.788 10.748 2.659 1.00 0.00 C ATOM 842 CG MET A 82 -3.799 11.489 3.544 1.00 0.00 C ATOM 843 SD MET A 82 -2.096 11.310 2.981 1.00 0.00 S ATOM 844 CE MET A 82 -2.268 11.720 1.246 1.00 0.00 C ATOM 0 H MET A 82 -4.573 8.604 3.850 1.00 0.00 H new ATOM 0 HA MET A 82 -6.255 10.800 4.232 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.261 9.962 2.118 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.183 11.438 1.913 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.060 12.547 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.881 11.117 4.565 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.377 12.248 0.907 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.390 10.805 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.142 12.357 1.107 1.00 0.00 H new ATOM 854 N ALA A 83 -7.266 8.721 1.948 1.00 0.00 N ATOM 855 CA ALA A 83 -8.359 8.403 1.037 1.00 0.00 C ATOM 856 C ALA A 83 -9.645 8.095 1.799 1.00 0.00 C ATOM 857 O ALA A 83 -10.744 8.271 1.274 1.00 0.00 O ATOM 858 CB ALA A 83 -7.976 7.230 0.148 1.00 0.00 C ATOM 0 H ALA A 83 -6.621 7.950 2.118 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.543 9.277 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.800 7.002 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.091 7.488 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.763 6.359 0.767 1.00 0.00 H new ATOM 864 N ASP A 84 -9.503 7.632 3.037 1.00 0.00 N ATOM 865 CA ASP A 84 -10.658 7.297 3.862 1.00 0.00 C ATOM 866 C ASP A 84 -11.040 8.463 4.774 1.00 0.00 C ATOM 867 O ASP A 84 -11.394 8.264 5.936 1.00 0.00 O ATOM 868 CB ASP A 84 -10.365 6.054 4.703 1.00 0.00 C ATOM 869 CG ASP A 84 -11.626 5.409 5.243 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.208 4.559 4.536 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.033 5.755 6.372 1.00 0.00 O ATOM 0 H ASP A 84 -8.602 7.481 3.490 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.497 7.092 3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.821 5.329 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.715 6.327 5.535 1.00 0.00 H new ATOM 876 N MET A 85 -10.961 9.679 4.242 1.00 0.00 N ATOM 877 CA MET A 85 -11.292 10.875 5.013 1.00 0.00 C ATOM 878 C MET A 85 -12.250 11.791 4.252 1.00 0.00 C ATOM 879 O MET A 85 -13.244 12.259 4.806 1.00 0.00 O ATOM 880 CB MET A 85 -10.018 11.644 5.370 1.00 0.00 C ATOM 881 CG MET A 85 -9.025 10.834 6.189 1.00 0.00 C ATOM 882 SD MET A 85 -8.312 11.777 7.551 1.00 0.00 S ATOM 883 CE MET A 85 -7.629 10.460 8.553 1.00 0.00 C ATOM 0 H MET A 85 -10.671 9.863 3.282 1.00 0.00 H new ATOM 0 HA MET A 85 -11.790 10.549 5.926 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.534 11.974 4.451 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.289 12.541 5.927 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.524 9.950 6.587 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.225 10.482 5.538 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.152 10.885 9.436 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.428 9.786 8.861 1.00 0.00 H new ATOM 0 HE3 MET A 85 -6.891 9.907 7.973 1.00 0.00 H new ATOM 893 N GLN A 86 -11.928 12.054 2.985 1.00 0.00 N ATOM 894 CA GLN A 86 -12.737 12.930 2.131 1.00 0.00 C ATOM 895 C GLN A 86 -14.235 12.776 2.399 1.00 0.00 C ATOM 896 O GLN A 86 -14.922 13.750 2.704 1.00 0.00 O ATOM 897 CB GLN A 86 -12.444 12.642 0.658 1.00 0.00 C ATOM 898 CG GLN A 86 -12.992 13.696 -0.290 1.00 0.00 C ATOM 899 CD GLN A 86 -13.559 13.098 -1.563 1.00 0.00 C ATOM 900 OE1 GLN A 86 -13.204 13.507 -2.668 1.00 0.00 O ATOM 901 NE2 GLN A 86 -14.447 12.121 -1.413 1.00 0.00 N ATOM 0 H GLN A 86 -11.104 11.669 2.522 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.463 13.958 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.366 12.566 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.868 11.673 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.770 14.266 0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.198 14.398 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.713 11.813 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.863 11.679 -2.233 1.00 0.00 H new ATOM 910 N HIS A 87 -14.730 11.551 2.276 1.00 0.00 N ATOM 911 CA HIS A 87 -16.149 11.268 2.501 1.00 0.00 C ATOM 912 C HIS A 87 -16.529 11.486 3.963 1.00 0.00 C ATOM 913 O HIS A 87 -16.785 10.532 4.698 1.00 0.00 O ATOM 914 CB HIS A 87 -16.493 9.835 2.087 1.00 0.00 C ATOM 915 CG HIS A 87 -15.352 8.881 2.230 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.612 8.251 1.294 1.00 0.00 N flip ATOM 917 CD2 HIS A 87 -14.832 8.505 3.449 1.00 0.00 C flip ATOM 918 CE1 HIS A 87 -13.662 7.513 1.955 1.00 0.00 C flip ATOM 919 NE2 HIS A 87 -13.816 7.686 3.256 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.173 10.735 2.022 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.721 11.961 1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -17.329 9.482 2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.827 9.836 1.050 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -14.736 8.312 0.283 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.199 8.830 4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.911 6.892 1.488 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.580 17.307 -0.237 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.204 17.071 -1.534 1.00 0.00 C ATOM 1112 C LEU A 101 -6.739 15.642 -1.631 1.00 0.00 C ATOM 1113 O LEU A 101 -6.036 14.687 -1.304 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.205 17.335 -2.661 1.00 0.00 C ATOM 1115 CG LEU A 101 -4.514 18.699 -2.604 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -3.132 18.626 -3.234 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -5.364 19.754 -3.297 1.00 0.00 C ATOM 0 HA LEU A 101 -7.043 17.759 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.442 16.557 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.724 17.247 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.397 18.983 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.657 19.606 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.524 17.900 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.223 18.320 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.859 20.718 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.512 19.475 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.332 19.826 -2.800 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.999 15.474 -2.079 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.622 14.151 -2.209 1.00 0.00 C ATOM 1131 C PRO A 102 -7.888 13.246 -3.195 1.00 0.00 C ATOM 1132 O PRO A 102 -8.080 12.031 -3.193 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.035 14.458 -2.723 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.262 15.897 -2.411 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.915 16.553 -2.486 1.00 0.00 C ATOM 0 HA PRO A 102 -8.606 13.612 -1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.114 14.270 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.777 13.827 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.955 16.346 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.700 16.017 -1.420 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.696 16.911 -3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.847 17.413 -1.820 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.052 13.840 -4.042 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.303 13.073 -5.031 1.00 0.00 C ATOM 1145 C HIS A 103 -4.893 12.742 -4.535 1.00 0.00 C ATOM 1146 O HIS A 103 -4.172 11.967 -5.165 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.239 13.834 -6.361 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.174 14.887 -6.414 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -5.328 16.144 -5.866 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.932 14.865 -6.955 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.229 16.848 -6.069 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -3.366 16.095 -6.726 1.00 0.00 N ATOM 0 H HIS A 103 -6.877 14.845 -4.063 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.828 12.131 -5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.070 13.121 -7.167 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.206 14.301 -6.547 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.473 14.035 -7.470 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.064 17.867 -5.751 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.431 16.381 -7.016 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.501 13.330 -3.409 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.178 13.086 -2.845 1.00 0.00 C ATOM 1163 C GLU A 104 -3.052 11.646 -2.358 1.00 0.00 C ATOM 1164 O GLU A 104 -1.962 11.074 -2.354 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.905 14.051 -1.691 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.311 15.377 -2.135 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.801 15.327 -2.261 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.263 14.228 -2.516 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.156 16.385 -2.105 1.00 0.00 O ATOM 0 H GLU A 104 -5.078 13.976 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.440 13.252 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.837 14.240 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.225 13.576 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.743 15.661 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.587 16.152 -1.420 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.175 11.066 -1.945 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.190 9.693 -1.452 1.00 0.00 C ATOM 1178 C ASN A 105 -4.170 8.692 -2.604 1.00 0.00 C ATOM 1179 O ASN A 105 -3.379 7.748 -2.602 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.423 9.458 -0.577 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.711 9.847 -1.275 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.248 9.090 -2.083 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.215 11.036 -0.963 1.00 0.00 N ATOM 0 H ASN A 105 -5.086 11.525 -1.942 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.291 9.542 -0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.469 8.406 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.325 10.031 0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.081 11.353 -1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.736 11.632 -0.287 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.045 8.899 -3.585 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.123 8.006 -4.737 1.00 0.00 C ATOM 1192 C VAL A 106 -3.778 7.904 -5.450 1.00 0.00 C ATOM 1193 O VAL A 106 -3.365 6.820 -5.864 1.00 0.00 O ATOM 1194 CB VAL A 106 -6.197 8.470 -5.743 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.563 8.524 -5.079 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.836 9.823 -6.335 1.00 0.00 C ATOM 0 H VAL A 106 -5.707 9.674 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.400 7.024 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.237 7.744 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.307 8.853 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.828 7.533 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.535 9.225 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.608 10.129 -7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.761 10.561 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.879 9.750 -6.852 1.00 0.00 H new ATOM 1206 N ASP A 107 -3.097 9.037 -5.587 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.797 9.071 -6.247 1.00 0.00 C ATOM 1208 C ASP A 107 -0.762 8.299 -5.436 1.00 0.00 C ATOM 1209 O ASP A 107 0.007 7.508 -5.982 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.336 10.517 -6.442 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.615 10.722 -7.759 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -0.079 9.734 -8.303 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.584 11.872 -8.247 1.00 0.00 O ATOM 0 H ASP A 107 -3.423 9.943 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.898 8.598 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.200 11.180 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.675 10.798 -5.622 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.754 8.532 -4.129 1.00 0.00 N ATOM 1219 CA ASP A 108 0.181 7.857 -3.238 1.00 0.00 C ATOM 1220 C ASP A 108 -0.151 6.371 -3.129 1.00 0.00 C ATOM 1221 O ASP A 108 0.720 5.552 -2.833 1.00 0.00 O ATOM 1222 CB ASP A 108 0.155 8.502 -1.851 1.00 0.00 C ATOM 1223 CG ASP A 108 1.196 9.593 -1.701 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.106 10.605 -2.429 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.102 9.437 -0.856 1.00 0.00 O ATOM 0 H ASP A 108 -1.385 9.184 -3.663 1.00 0.00 H new ATOM 0 HA ASP A 108 1.182 7.958 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.835 8.920 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.324 7.736 -1.094 1.00 0.00 H new ATOM 1230 N MET A 109 -1.414 6.028 -3.371 1.00 0.00 N ATOM 1231 CA MET A 109 -1.853 4.639 -3.301 1.00 0.00 C ATOM 1232 C MET A 109 -1.175 3.807 -4.384 1.00 0.00 C ATOM 1233 O MET A 109 -0.576 2.770 -4.101 1.00 0.00 O ATOM 1234 CB MET A 109 -3.374 4.555 -3.447 1.00 0.00 C ATOM 1235 CG MET A 109 -4.093 4.247 -2.143 1.00 0.00 C ATOM 1236 SD MET A 109 -5.185 5.582 -1.615 1.00 0.00 S ATOM 1237 CE MET A 109 -6.738 5.043 -2.324 1.00 0.00 C ATOM 0 H MET A 109 -2.149 6.692 -3.617 1.00 0.00 H new ATOM 0 HA MET A 109 -1.570 4.238 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.746 5.500 -3.843 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.619 3.785 -4.178 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.675 3.333 -2.261 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.356 4.057 -1.363 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.055 5.753 -3.087 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.610 4.059 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.495 4.988 -1.542 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.273 4.274 -5.623 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.667 3.579 -6.754 1.00 0.00 C ATOM 1249 C ARG A 110 0.833 3.412 -6.542 1.00 0.00 C ATOM 1250 O ARG A 110 1.433 2.440 -7.003 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.926 4.348 -8.052 1.00 0.00 C ATOM 1252 CG ARG A 110 -2.344 4.881 -8.170 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.901 4.690 -9.572 1.00 0.00 C ATOM 1254 NE ARG A 110 -2.883 5.931 -10.343 1.00 0.00 N ATOM 1255 CZ ARG A 110 -3.788 6.898 -10.211 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -4.782 6.773 -9.340 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -3.698 7.994 -10.952 1.00 0.00 N ATOM 0 H ARG A 110 -1.767 5.132 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.121 2.591 -6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.227 5.182 -8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.721 3.694 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.985 4.372 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.357 5.940 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.318 3.931 -10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.924 4.318 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.133 6.064 -11.022 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.855 5.932 -8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.472 7.518 -9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.936 8.095 -11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.391 8.736 -10.852 1.00 0.00 H new ATOM 1271 N SER A 111 1.432 4.365 -5.836 1.00 0.00 N ATOM 1272 CA SER A 111 2.861 4.324 -5.555 1.00 0.00 C ATOM 1273 C SER A 111 3.218 3.073 -4.761 1.00 0.00 C ATOM 1274 O SER A 111 4.256 2.453 -4.989 1.00 0.00 O ATOM 1275 CB SER A 111 3.287 5.573 -4.782 1.00 0.00 C ATOM 1276 OG SER A 111 4.654 5.871 -5.007 1.00 0.00 O ATOM 0 H SER A 111 0.949 5.175 -5.448 1.00 0.00 H new ATOM 0 HA SER A 111 3.395 4.297 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.672 6.420 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.115 5.421 -3.716 1.00 0.00 H new ATOM 0 HG SER A 111 4.901 6.674 -4.503 1.00 0.00 H new ATOM 1282 N ALA A 112 2.346 2.703 -3.828 1.00 0.00 N ATOM 1283 CA ALA A 112 2.568 1.524 -3.004 1.00 0.00 C ATOM 1284 C ALA A 112 2.644 0.267 -3.863 1.00 0.00 C ATOM 1285 O ALA A 112 3.476 -0.609 -3.627 1.00 0.00 O ATOM 1286 CB ALA A 112 1.466 1.390 -1.963 1.00 0.00 C ATOM 0 H ALA A 112 1.481 3.203 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 112 3.522 1.642 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.646 0.504 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.459 2.273 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.502 1.297 -2.463 1.00 0.00 H new ATOM 1292 N ILE A 113 1.771 0.184 -4.863 1.00 0.00 N ATOM 1293 CA ILE A 113 1.742 -0.968 -5.755 1.00 0.00 C ATOM 1294 C ILE A 113 3.070 -1.123 -6.492 1.00 0.00 C ATOM 1295 O ILE A 113 3.516 -2.238 -6.753 1.00 0.00 O ATOM 1296 CB ILE A 113 0.575 -0.869 -6.768 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.178 -2.198 -6.840 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.067 -0.462 -8.153 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.207 -2.367 -5.743 1.00 0.00 C ATOM 0 H ILE A 113 1.076 0.900 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 113 1.582 -1.853 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.105 -0.093 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.674 -2.274 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.539 -3.017 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.220 -0.403 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.555 0.511 -8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.778 -1.203 -8.519 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.703 -3.331 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.714 -2.323 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.946 -1.569 -5.811 1.00 0.00 H new ATOM 1311 N THR A 114 3.701 -0.001 -6.822 1.00 0.00 N ATOM 1312 CA THR A 114 4.981 -0.030 -7.522 1.00 0.00 C ATOM 1313 C THR A 114 6.000 -0.830 -6.722 1.00 0.00 C ATOM 1314 O THR A 114 6.633 -1.751 -7.239 1.00 0.00 O ATOM 1315 CB THR A 114 5.501 1.389 -7.754 1.00 0.00 C ATOM 1316 OG1 THR A 114 6.042 1.927 -6.560 1.00 0.00 O ATOM 1317 CG2 THR A 114 4.439 2.345 -8.251 1.00 0.00 C ATOM 0 H THR A 114 3.350 0.935 -6.618 1.00 0.00 H new ATOM 0 HA THR A 114 4.831 -0.509 -8.490 1.00 0.00 H new ATOM 0 HB THR A 114 6.265 1.292 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.328 2.353 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.877 3.333 -8.394 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.040 1.984 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.634 2.408 -7.519 1.00 0.00 H new ATOM 1325 N ASP A 115 6.144 -0.472 -5.452 1.00 0.00 N ATOM 1326 CA ASP A 115 7.075 -1.156 -4.564 1.00 0.00 C ATOM 1327 C ASP A 115 6.538 -2.528 -4.172 1.00 0.00 C ATOM 1328 O ASP A 115 7.261 -3.523 -4.208 1.00 0.00 O ATOM 1329 CB ASP A 115 7.321 -0.318 -3.308 1.00 0.00 C ATOM 1330 CG ASP A 115 8.753 -0.415 -2.820 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.237 -1.549 -2.619 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.391 0.643 -2.638 1.00 0.00 O ATOM 0 H ASP A 115 5.627 0.290 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 115 8.017 -1.289 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.081 0.724 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.647 -0.647 -2.517 1.00 0.00 H new ATOM 1337 N TRP A 116 5.262 -2.573 -3.797 1.00 0.00 N ATOM 1338 CA TRP A 116 4.625 -3.823 -3.399 1.00 0.00 C ATOM 1339 C TRP A 116 4.669 -4.841 -4.532 1.00 0.00 C ATOM 1340 O TRP A 116 5.158 -5.958 -4.357 1.00 0.00 O ATOM 1341 CB TRP A 116 3.178 -3.571 -2.975 1.00 0.00 C ATOM 1342 CG TRP A 116 3.038 -3.256 -1.517 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.028 -2.017 -0.944 1.00 0.00 C ATOM 1344 CD2 TRP A 116 2.893 -4.196 -0.447 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.886 -2.129 0.418 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.802 -3.457 0.747 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.832 -5.591 -0.384 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.652 -4.067 1.990 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.683 -6.195 0.851 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.594 -5.434 2.022 1.00 0.00 C ATOM 0 H TRP A 116 4.650 -1.758 -3.761 1.00 0.00 H new ATOM 0 HA TRP A 116 5.177 -4.229 -2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.773 -2.745 -3.559 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.579 -4.451 -3.209 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.118 -1.085 -1.482 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.849 -1.351 1.077 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.900 -6.186 -1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.584 -3.483 2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.635 -7.272 0.913 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.477 -5.936 2.971 1.00 0.00 H new ATOM 1361 N SER A 117 4.162 -4.449 -5.698 1.00 0.00 N ATOM 1362 CA SER A 117 4.152 -5.331 -6.861 1.00 0.00 C ATOM 1363 C SER A 117 5.556 -5.854 -7.150 1.00 0.00 C ATOM 1364 O SER A 117 5.750 -7.045 -7.400 1.00 0.00 O ATOM 1365 CB SER A 117 3.608 -4.594 -8.087 1.00 0.00 C ATOM 1366 OG SER A 117 3.422 -5.483 -9.175 1.00 0.00 O ATOM 0 H SER A 117 3.754 -3.529 -5.862 1.00 0.00 H new ATOM 0 HA SER A 117 3.501 -6.177 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.661 -4.116 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.299 -3.801 -8.375 1.00 0.00 H new ATOM 0 HG SER A 117 3.072 -4.988 -9.945 1.00 0.00 H new ATOM 1372 N ASP A 118 6.533 -4.954 -7.107 1.00 0.00 N ATOM 1373 CA ASP A 118 7.922 -5.320 -7.355 1.00 0.00 C ATOM 1374 C ASP A 118 8.401 -6.336 -6.325 1.00 0.00 C ATOM 1375 O ASP A 118 9.150 -7.258 -6.648 1.00 0.00 O ATOM 1376 CB ASP A 118 8.814 -4.078 -7.316 1.00 0.00 C ATOM 1377 CG ASP A 118 10.206 -4.347 -7.853 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.724 -5.461 -7.626 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.778 -3.446 -8.501 1.00 0.00 O ATOM 0 H ASP A 118 6.388 -3.965 -6.903 1.00 0.00 H new ATOM 0 HA ASP A 118 7.985 -5.771 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.350 -3.283 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.887 -3.719 -6.289 1.00 0.00 H new ATOM 1384 N MET A 119 7.958 -6.163 -5.084 1.00 0.00 N ATOM 1385 CA MET A 119 8.338 -7.066 -4.005 1.00 0.00 C ATOM 1386 C MET A 119 7.785 -8.465 -4.254 1.00 0.00 C ATOM 1387 O MET A 119 8.453 -9.462 -3.990 1.00 0.00 O ATOM 1388 CB MET A 119 7.832 -6.537 -2.662 1.00 0.00 C ATOM 1389 CG MET A 119 8.530 -7.159 -1.463 1.00 0.00 C ATOM 1390 SD MET A 119 8.065 -6.377 0.094 1.00 0.00 S ATOM 1391 CE MET A 119 9.666 -6.211 0.879 1.00 0.00 C ATOM 0 H MET A 119 7.336 -5.406 -4.801 1.00 0.00 H new ATOM 0 HA MET A 119 9.426 -7.121 -3.976 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.969 -5.456 -2.632 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.761 -6.725 -2.587 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.289 -8.221 -1.418 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.609 -7.082 -1.596 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.546 -6.245 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.314 -7.027 0.560 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.114 -5.259 0.594 1.00 0.00 H new ATOM 1401 N ARG A 120 6.561 -8.531 -4.769 1.00 0.00 N ATOM 1402 CA ARG A 120 5.922 -9.811 -5.058 1.00 0.00 C ATOM 1403 C ARG A 120 6.830 -10.690 -5.912 1.00 0.00 C ATOM 1404 O ARG A 120 6.978 -11.885 -5.653 1.00 0.00 O ATOM 1405 CB ARG A 120 4.588 -9.589 -5.773 1.00 0.00 C ATOM 1406 CG ARG A 120 3.610 -8.732 -4.985 1.00 0.00 C ATOM 1407 CD ARG A 120 2.716 -9.581 -4.096 1.00 0.00 C ATOM 1408 NE ARG A 120 1.862 -10.476 -4.872 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.765 -11.057 -4.390 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.387 -10.840 -3.137 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.045 -11.856 -5.165 1.00 0.00 N ATOM 0 H ARG A 120 5.992 -7.715 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 120 5.738 -10.320 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.776 -9.117 -6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.129 -10.556 -5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.161 -8.018 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.995 -8.153 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.334 -10.168 -3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.095 -8.931 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 120 2.121 -10.667 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.938 -10.225 -2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.454 -11.288 -2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.332 -12.025 -6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.795 -12.302 -4.797 1.00 0.00 H new ATOM 1425 N GLU A 121 7.439 -10.088 -6.928 1.00 0.00 N ATOM 1426 CA GLU A 121 8.337 -10.814 -7.819 1.00 0.00 C ATOM 1427 C GLU A 121 9.737 -10.912 -7.219 1.00 0.00 C ATOM 1428 O GLU A 121 10.439 -11.904 -7.414 1.00 0.00 O ATOM 1429 CB GLU A 121 8.400 -10.128 -9.185 1.00 0.00 C ATOM 1430 CG GLU A 121 7.387 -10.667 -10.182 1.00 0.00 C ATOM 1431 CD GLU A 121 7.983 -10.887 -11.559 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.370 -9.890 -12.204 1.00 0.00 O ATOM 1433 OE2 GLU A 121 8.063 -12.055 -11.992 1.00 0.00 O ATOM 0 H GLU A 121 7.327 -9.100 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 121 7.945 -11.823 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.235 -9.059 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.402 -10.248 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.983 -11.609 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.552 -9.970 -10.259 1.00 0.00 H new ATOM 1440 N ALA A 122 10.138 -9.874 -6.491 1.00 0.00 N ATOM 1441 CA ALA A 122 11.455 -9.843 -5.865 1.00 0.00 C ATOM 1442 C ALA A 122 11.546 -10.845 -4.719 1.00 0.00 C ATOM 1443 O ALA A 122 12.374 -11.756 -4.742 1.00 0.00 O ATOM 1444 CB ALA A 122 11.767 -8.440 -5.365 1.00 0.00 C ATOM 0 H ALA A 122 9.570 -9.044 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 122 12.192 -10.124 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.753 -8.430 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.755 -7.744 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.017 -8.140 -4.633 1.00 0.00 H new ATOM 1450 N LEU A 123 10.689 -10.671 -3.717 1.00 0.00 N ATOM 1451 CA LEU A 123 10.670 -11.558 -2.558 1.00 0.00 C ATOM 1452 C LEU A 123 10.529 -13.016 -2.988 1.00 0.00 C ATOM 1453 O LEU A 123 11.205 -13.898 -2.458 1.00 0.00 O ATOM 1454 CB LEU A 123 9.524 -11.174 -1.617 1.00 0.00 C ATOM 1455 CG LEU A 123 9.947 -10.816 -0.191 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.045 -9.763 -0.207 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.750 -10.328 0.612 1.00 0.00 C ATOM 0 H LEU A 123 9.997 -9.922 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 123 11.617 -11.447 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.992 -10.325 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.818 -12.003 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 123 10.340 -11.713 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.332 -9.521 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.911 -10.148 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.680 -8.864 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.068 -10.078 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.328 -9.443 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.995 -11.113 0.653 1.00 0.00 H new ATOM 1469 N GLN A 124 9.648 -13.262 -3.953 1.00 0.00 N ATOM 1470 CA GLN A 124 9.422 -14.613 -4.453 1.00 0.00 C ATOM 1471 C GLN A 124 10.681 -15.163 -5.116 1.00 0.00 C ATOM 1472 O GLN A 124 10.985 -16.351 -5.003 1.00 0.00 O ATOM 1473 CB GLN A 124 8.261 -14.623 -5.449 1.00 0.00 C ATOM 1474 CG GLN A 124 6.899 -14.788 -4.794 1.00 0.00 C ATOM 1475 CD GLN A 124 5.848 -15.304 -5.758 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.601 -16.507 -5.837 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.224 -14.394 -6.497 1.00 0.00 N ATOM 0 H GLN A 124 9.080 -12.544 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 124 9.170 -15.251 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.272 -13.692 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.412 -15.433 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.985 -15.476 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.576 -13.829 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.461 -13.407 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.508 -14.682 -7.163 1.00 0.00 H new ATOM 1486 N HIS A 125 11.409 -14.292 -5.806 1.00 0.00 N ATOM 1487 CA HIS A 125 12.636 -14.690 -6.486 1.00 0.00 C ATOM 1488 C HIS A 125 13.761 -14.923 -5.482 1.00 0.00 C ATOM 1489 O HIS A 125 14.529 -15.876 -5.606 1.00 0.00 O ATOM 1490 CB HIS A 125 13.052 -13.622 -7.499 1.00 0.00 C ATOM 1491 CG HIS A 125 12.292 -13.690 -8.787 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.009 -14.044 -9.042 1.00 0.00 N flip ATOM 1493 CD2 HIS A 125 12.849 -13.373 -10.008 1.00 0.00 C flip ATOM 1494 CE1 HIS A 125 10.818 -13.933 -10.397 1.00 0.00 C flip ATOM 1495 NE2 HIS A 125 11.942 -13.526 -10.957 1.00 0.00 N flip ATOM 0 H HIS A 125 11.171 -13.306 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 125 12.444 -15.624 -7.014 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.910 -12.637 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.116 -13.727 -7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.868 -13.050 -10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 125 9.897 -14.144 -10.920 1.00 0.00 H new ATOM 0 HE2 HIS A 125 12.086 -13.358 -11.953 1.00 0.00 H new ATOM 1504 N ALA A 126 13.850 -14.046 -4.487 1.00 0.00 N ATOM 1505 CA ALA A 126 14.879 -14.157 -3.461 1.00 0.00 C ATOM 1506 C ALA A 126 14.635 -15.370 -2.572 1.00 0.00 C ATOM 1507 O ALA A 126 15.577 -16.025 -2.125 1.00 0.00 O ATOM 1508 CB ALA A 126 14.929 -12.887 -2.623 1.00 0.00 C ATOM 0 H ALA A 126 13.222 -13.251 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 126 15.841 -14.289 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.702 -12.984 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.157 -12.036 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.963 -12.730 -2.142 1.00 0.00 H new ATOM 1514 N MET A 127 13.364 -15.664 -2.319 1.00 0.00 N ATOM 1515 CA MET A 127 12.993 -16.799 -1.482 1.00 0.00 C ATOM 1516 C MET A 127 13.514 -18.104 -2.075 1.00 0.00 C ATOM 1517 O MET A 127 14.150 -18.901 -1.385 1.00 0.00 O ATOM 1518 CB MET A 127 11.472 -16.868 -1.329 1.00 0.00 C ATOM 1519 CG MET A 127 11.021 -17.531 -0.038 1.00 0.00 C ATOM 1520 SD MET A 127 9.341 -18.178 -0.140 1.00 0.00 S ATOM 1521 CE MET A 127 8.435 -16.698 -0.584 1.00 0.00 C ATOM 0 H MET A 127 12.573 -15.132 -2.682 1.00 0.00 H new ATOM 0 HA MET A 127 13.446 -16.660 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.065 -15.858 -1.371 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.054 -17.415 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.705 -18.344 0.207 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.079 -16.809 0.776 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.428 -16.750 -0.170 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.947 -15.824 -0.183 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.378 -16.619 -1.670 1.00 0.00 H new ATOM 1531 N GLY A 128 13.238 -18.315 -3.357 1.00 0.00 N ATOM 1532 CA GLY A 128 13.684 -19.524 -4.024 1.00 0.00 C ATOM 1533 C GLY A 128 12.894 -19.815 -5.285 1.00 0.00 C ATOM 1534 O GLY A 128 12.545 -20.964 -5.556 1.00 0.00 O ATOM 0 H GLY A 128 12.713 -17.670 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.740 -19.428 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.594 -20.367 -3.339 1.00 0.00 H new ATOM 1538 N ILE A 129 12.612 -18.771 -6.058 1.00 0.00 N ATOM 1539 CA ILE A 129 11.858 -18.919 -7.296 1.00 0.00 C ATOM 1540 C ILE A 129 12.545 -18.195 -8.449 1.00 0.00 C ATOM 1541 O ILE A 129 13.344 -17.283 -8.234 1.00 0.00 O ATOM 1542 CB ILE A 129 10.423 -18.378 -7.149 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.767 -18.943 -5.888 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.598 -18.720 -8.381 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.576 -18.140 -5.412 1.00 0.00 C ATOM 0 H ILE A 129 12.895 -17.814 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 129 11.816 -19.986 -7.513 1.00 0.00 H new ATOM 0 HB ILE A 129 10.468 -17.293 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.450 -19.968 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.509 -18.985 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.587 -18.331 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.057 -18.272 -9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.558 -19.802 -8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.162 -18.600 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.891 -17.121 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.815 -18.120 -6.193 1.00 0.00 H new