USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 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 75 HIS :FLIP no HD1:sc= -4.98! F(o=-6.8,f=-5.4!) USER MOD Set 1.2: A 76 THR OG1 : rot 75:sc= -0.446 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -3.4! C(o=-5.6!,f=-5.8!) USER MOD Set 2.2: A 58 SER OG : rot -130:sc= 0 USER MOD Set 2.3: A 69 TYR OH : rot 59:sc= -2.19 USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 38 SER OG : rot 49:sc= 1.25 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00751 USER MOD Single : A 35 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.051) USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.0102 F(o=-1.2,f=0.01) USER MOD Single : A 42 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 46 SER OG : rot -170:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.065) USER MOD Single : A 70 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.2) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.0016) USER MOD Single : A 73 TYR OH : rot 49:sc= 0.0073 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.000301 X(o=-0.0003,f=-0.083) USER MOD Single : A 79 THR OG1 : rot 42:sc= -1.64 USER MOD Single : A 82 MET CE :methyl -158:sc= 0 (180deg=-0.114) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0013 K(o=-0.0013,f=-6.1!) USER MOD Single : A 103 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-2.4!) USER MOD Single : A 105 ASN : amide:sc= -5.6! C(o=-5.6!,f=-18!) USER MOD Single : A 109 MET CE :methyl -144:sc= -4.74 (180deg=-6.54!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -85:sc= 0.678 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -118:sc= -1.32 (180deg=-2.1) USER MOD Single : A 124 GLN : amide:sc= -0.331 K(o=-0.33,f=-0.95) USER MOD Single : A 125 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=-0.0047) USER MOD Single : A 127 MET CE :methyl -157:sc= -1.45 (180deg=-2.27!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.563 11.435 -7.464 1.00 0.00 N ATOM 44 CA THR A 32 -15.730 10.830 -6.829 1.00 0.00 C ATOM 45 C THR A 32 -15.337 10.141 -5.526 1.00 0.00 C ATOM 46 O THR A 32 -14.281 9.515 -5.438 1.00 0.00 O ATOM 47 CB THR A 32 -16.397 9.823 -7.771 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.736 8.572 -7.717 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.416 10.268 -9.218 1.00 0.00 C ATOM 0 HA THR A 32 -16.441 11.625 -6.605 1.00 0.00 H new ATOM 0 HB THR A 32 -17.426 9.745 -7.421 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.178 7.942 -8.324 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.903 9.506 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.965 11.206 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.394 10.413 -9.568 1.00 0.00 H new ATOM 57 N SER A 33 -16.193 10.259 -4.516 1.00 0.00 N ATOM 58 CA SER A 33 -15.932 9.647 -3.218 1.00 0.00 C ATOM 59 C SER A 33 -15.664 8.152 -3.363 1.00 0.00 C ATOM 60 O SER A 33 -14.900 7.571 -2.592 1.00 0.00 O ATOM 61 CB SER A 33 -17.113 9.877 -2.273 1.00 0.00 C ATOM 62 OG SER A 33 -17.597 11.205 -2.375 1.00 0.00 O ATOM 0 H SER A 33 -17.073 10.772 -4.571 1.00 0.00 H new ATOM 0 HA SER A 33 -15.043 10.117 -2.797 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.913 9.176 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.806 9.676 -1.247 1.00 0.00 H new ATOM 0 HG SER A 33 -18.352 11.326 -1.763 1.00 0.00 H new ATOM 68 N SER A 34 -16.293 7.535 -4.359 1.00 0.00 N ATOM 69 CA SER A 34 -16.115 6.109 -4.604 1.00 0.00 C ATOM 70 C SER A 34 -14.728 5.830 -5.173 1.00 0.00 C ATOM 71 O SER A 34 -14.159 4.762 -4.951 1.00 0.00 O ATOM 72 CB SER A 34 -17.193 5.592 -5.561 1.00 0.00 C ATOM 73 OG SER A 34 -16.763 4.422 -6.236 1.00 0.00 O ATOM 0 H SER A 34 -16.929 7.999 -5.008 1.00 0.00 H new ATOM 0 HA SER A 34 -16.211 5.585 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.105 5.379 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.438 6.366 -6.289 1.00 0.00 H new ATOM 0 HG SER A 34 -17.471 4.113 -6.839 1.00 0.00 H new ATOM 79 N GLN A 35 -14.185 6.799 -5.904 1.00 0.00 N ATOM 80 CA GLN A 35 -12.861 6.652 -6.495 1.00 0.00 C ATOM 81 C GLN A 35 -11.788 6.718 -5.417 1.00 0.00 C ATOM 82 O GLN A 35 -10.830 5.944 -5.432 1.00 0.00 O ATOM 83 CB GLN A 35 -12.625 7.734 -7.549 1.00 0.00 C ATOM 84 CG GLN A 35 -11.210 7.756 -8.106 1.00 0.00 C ATOM 85 CD GLN A 35 -10.804 6.431 -8.721 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.516 5.878 -9.559 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.653 5.913 -8.306 1.00 0.00 N ATOM 0 H GLN A 35 -14.640 7.691 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.805 5.678 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.326 7.586 -8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.848 8.707 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.132 8.541 -8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.513 8.010 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.094 6.405 -7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.328 5.023 -8.684 1.00 0.00 H new ATOM 96 N LEU A 36 -11.962 7.636 -4.471 1.00 0.00 N ATOM 97 CA LEU A 36 -11.015 7.784 -3.376 1.00 0.00 C ATOM 98 C LEU A 36 -10.891 6.470 -2.617 1.00 0.00 C ATOM 99 O LEU A 36 -9.788 6.012 -2.311 1.00 0.00 O ATOM 100 CB LEU A 36 -11.464 8.898 -2.427 1.00 0.00 C ATOM 101 CG LEU A 36 -11.377 10.313 -3.003 1.00 0.00 C ATOM 102 CD1 LEU A 36 -11.991 11.320 -2.043 1.00 0.00 C ATOM 103 CD2 LEU A 36 -9.930 10.673 -3.305 1.00 0.00 C ATOM 0 H LEU A 36 -12.748 8.286 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.042 8.051 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.495 8.706 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.856 8.852 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.942 10.343 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.920 12.320 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.039 11.071 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.455 11.292 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.884 11.682 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.344 10.627 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.524 9.968 -4.031 1.00 0.00 H new ATOM 115 N LEU A 37 -12.035 5.859 -2.330 1.00 0.00 N ATOM 116 CA LEU A 37 -12.063 4.590 -1.621 1.00 0.00 C ATOM 117 C LEU A 37 -11.796 3.425 -2.575 1.00 0.00 C ATOM 118 O LEU A 37 -11.505 2.312 -2.140 1.00 0.00 O ATOM 119 CB LEU A 37 -13.407 4.401 -0.908 1.00 0.00 C ATOM 120 CG LEU A 37 -14.563 3.940 -1.797 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.662 2.422 -1.799 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.872 4.561 -1.334 1.00 0.00 C ATOM 0 H LEU A 37 -12.954 6.224 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.272 4.604 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.275 3.674 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.686 5.345 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.367 4.272 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.490 2.112 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.733 1.997 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.834 2.067 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.683 4.222 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.074 4.260 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.798 5.647 -1.386 1.00 0.00 H new ATOM 134 N SER A 38 -11.891 3.680 -3.880 1.00 0.00 N ATOM 135 CA SER A 38 -11.650 2.638 -4.869 1.00 0.00 C ATOM 136 C SER A 38 -10.179 2.235 -4.881 1.00 0.00 C ATOM 137 O SER A 38 -9.838 1.099 -5.216 1.00 0.00 O ATOM 138 CB SER A 38 -12.067 3.114 -6.261 1.00 0.00 C ATOM 139 OG SER A 38 -13.458 2.935 -6.466 1.00 0.00 O ATOM 0 H SER A 38 -12.131 4.591 -4.271 1.00 0.00 H new ATOM 0 HA SER A 38 -12.250 1.769 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.811 4.167 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.511 2.563 -7.019 1.00 0.00 H new ATOM 0 HG SER A 38 -13.951 3.301 -5.702 1.00 0.00 H new ATOM 145 N VAL A 39 -9.308 3.172 -4.517 1.00 0.00 N ATOM 146 CA VAL A 39 -7.879 2.912 -4.492 1.00 0.00 C ATOM 147 C VAL A 39 -7.431 2.415 -3.122 1.00 0.00 C ATOM 148 O VAL A 39 -6.587 1.527 -3.023 1.00 0.00 O ATOM 149 CB VAL A 39 -7.077 4.168 -4.871 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.377 4.575 -6.304 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.376 5.308 -3.909 1.00 0.00 C ATOM 0 H VAL A 39 -9.570 4.117 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.683 2.134 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.015 3.936 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.802 5.466 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.104 3.763 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.441 4.789 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.798 6.187 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.439 5.545 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.105 5.010 -2.896 1.00 0.00 H new ATOM 161 N ARG A 40 -8.005 2.978 -2.062 1.00 0.00 N ATOM 162 CA ARG A 40 -7.650 2.555 -0.713 1.00 0.00 C ATOM 163 C ARG A 40 -8.001 1.084 -0.516 1.00 0.00 C ATOM 164 O ARG A 40 -7.377 0.385 0.283 1.00 0.00 O ATOM 165 CB ARG A 40 -8.357 3.419 0.336 1.00 0.00 C ATOM 166 CG ARG A 40 -9.854 3.167 0.443 1.00 0.00 C ATOM 167 CD ARG A 40 -10.180 2.077 1.453 1.00 0.00 C ATOM 168 NE ARG A 40 -9.466 2.260 2.715 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.345 1.312 3.641 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.882 0.114 3.449 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.684 1.562 4.763 1.00 0.00 N ATOM 0 H ARG A 40 -8.707 3.717 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.575 2.682 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.899 3.238 1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.193 4.470 0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.357 4.090 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.244 2.883 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.253 2.070 1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.924 1.105 1.031 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.036 3.167 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.391 -0.085 2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.786 -0.608 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.268 2.481 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.591 0.835 5.473 1.00 0.00 H new ATOM 185 N HIS A 41 -8.999 0.621 -1.263 1.00 0.00 N ATOM 186 CA HIS A 41 -9.433 -0.767 -1.190 1.00 0.00 C ATOM 187 C HIS A 41 -8.518 -1.655 -2.027 1.00 0.00 C ATOM 188 O HIS A 41 -8.168 -2.762 -1.619 1.00 0.00 O ATOM 189 CB HIS A 41 -10.878 -0.897 -1.678 1.00 0.00 C ATOM 190 CG HIS A 41 -11.897 -0.743 -0.590 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.429 0.367 -0.023 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.493 -1.815 0.040 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.325 -0.052 0.928 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.347 -1.372 0.946 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.523 1.191 -1.928 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.381 -1.091 -0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.062 -0.145 -2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.007 -1.871 -2.149 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.205 1.334 -0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.293 -2.855 -0.174 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.917 0.594 1.560 1.00 0.00 H new ATOM 203 N GLN A 42 -8.132 -1.159 -3.201 1.00 0.00 N ATOM 204 CA GLN A 42 -7.255 -1.908 -4.094 1.00 0.00 C ATOM 205 C GLN A 42 -5.825 -1.938 -3.554 1.00 0.00 C ATOM 206 O GLN A 42 -5.123 -2.941 -3.685 1.00 0.00 O ATOM 207 CB GLN A 42 -7.286 -1.304 -5.507 1.00 0.00 C ATOM 208 CG GLN A 42 -6.325 -0.142 -5.713 1.00 0.00 C ATOM 209 CD GLN A 42 -4.941 -0.598 -6.132 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.788 -1.607 -6.820 1.00 0.00 O ATOM 211 NE2 GLN A 42 -3.922 0.146 -5.716 1.00 0.00 N ATOM 0 H GLN A 42 -8.413 -0.244 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.618 -2.934 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.052 -2.086 -6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.299 -0.965 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.728 0.528 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.250 0.431 -4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.095 0.975 -5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.967 -0.112 -5.966 1.00 0.00 H new ATOM 220 N LEU A 43 -5.402 -0.833 -2.946 1.00 0.00 N ATOM 221 CA LEU A 43 -4.058 -0.737 -2.387 1.00 0.00 C ATOM 222 C LEU A 43 -3.917 -1.643 -1.169 1.00 0.00 C ATOM 223 O LEU A 43 -3.119 -2.579 -1.167 1.00 0.00 O ATOM 224 CB LEU A 43 -3.745 0.715 -1.996 1.00 0.00 C ATOM 225 CG LEU A 43 -2.311 1.213 -2.275 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.722 1.863 -1.032 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.406 0.083 -2.756 1.00 0.00 C ATOM 0 H LEU A 43 -5.969 0.006 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.348 -1.061 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.441 1.367 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.945 0.831 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.371 1.955 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.711 2.208 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.340 2.711 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.693 1.136 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.405 0.473 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.357 -0.694 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.808 -0.338 -3.677 1.00 0.00 H new ATOM 239 N ALA A 44 -4.703 -1.356 -0.134 1.00 0.00 N ATOM 240 CA ALA A 44 -4.672 -2.143 1.095 1.00 0.00 C ATOM 241 C ALA A 44 -4.801 -3.633 0.797 1.00 0.00 C ATOM 242 O ALA A 44 -4.259 -4.471 1.518 1.00 0.00 O ATOM 243 CB ALA A 44 -5.779 -1.693 2.036 1.00 0.00 C ATOM 0 H ALA A 44 -5.369 -0.584 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.709 -1.979 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.745 -2.288 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.641 -0.640 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.746 -1.828 1.551 1.00 0.00 H new ATOM 249 N GLU A 45 -5.519 -3.957 -0.275 1.00 0.00 N ATOM 250 CA GLU A 45 -5.715 -5.345 -0.672 1.00 0.00 C ATOM 251 C GLU A 45 -4.375 -6.019 -0.948 1.00 0.00 C ATOM 252 O GLU A 45 -4.122 -7.133 -0.490 1.00 0.00 O ATOM 253 CB GLU A 45 -6.604 -5.421 -1.915 1.00 0.00 C ATOM 254 CG GLU A 45 -8.076 -5.630 -1.598 1.00 0.00 C ATOM 255 CD GLU A 45 -8.956 -5.541 -2.829 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.093 -4.430 -3.383 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.508 -6.583 -3.241 1.00 0.00 O ATOM 0 H GLU A 45 -5.974 -3.276 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.206 -5.869 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.491 -4.501 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.258 -6.237 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.208 -6.606 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.397 -4.883 -0.872 1.00 0.00 H new ATOM 264 N SER A 46 -3.519 -5.331 -1.696 1.00 0.00 N ATOM 265 CA SER A 46 -2.202 -5.857 -2.032 1.00 0.00 C ATOM 266 C SER A 46 -1.190 -5.523 -0.940 1.00 0.00 C ATOM 267 O SER A 46 -0.221 -6.254 -0.733 1.00 0.00 O ATOM 268 CB SER A 46 -1.730 -5.291 -3.372 1.00 0.00 C ATOM 269 OG SER A 46 -2.648 -5.600 -4.407 1.00 0.00 O ATOM 0 H SER A 46 -3.714 -4.407 -2.081 1.00 0.00 H new ATOM 0 HA SER A 46 -2.280 -6.941 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.615 -4.210 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.749 -5.699 -3.618 1.00 0.00 H new ATOM 0 HG SER A 46 -2.254 -5.369 -5.274 1.00 0.00 H new ATOM 275 N ALA A 47 -1.422 -4.415 -0.241 1.00 0.00 N ATOM 276 CA ALA A 47 -0.531 -3.986 0.830 1.00 0.00 C ATOM 277 C ALA A 47 -0.716 -4.849 2.074 1.00 0.00 C ATOM 278 O ALA A 47 -1.136 -4.363 3.125 1.00 0.00 O ATOM 279 CB ALA A 47 -0.770 -2.519 1.160 1.00 0.00 C ATOM 0 H ALA A 47 -2.220 -3.799 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 47 0.496 -4.105 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.098 -2.212 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.581 -1.911 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.803 -2.382 1.480 1.00 0.00 H new ATOM 285 N GLY A 48 -0.400 -6.134 1.948 1.00 0.00 N ATOM 286 CA GLY A 48 -0.538 -7.046 3.068 1.00 0.00 C ATOM 287 C GLY A 48 0.199 -8.352 2.846 1.00 0.00 C ATOM 288 O GLY A 48 -0.068 -9.066 1.879 1.00 0.00 O ATOM 0 H GLY A 48 -0.051 -6.560 1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.159 -6.567 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.595 -7.253 3.236 1.00 0.00 H new ATOM 292 N LEU A 49 1.128 -8.666 3.742 1.00 0.00 N ATOM 293 CA LEU A 49 1.906 -9.895 3.639 1.00 0.00 C ATOM 294 C LEU A 49 1.066 -11.105 4.047 1.00 0.00 C ATOM 295 O LEU A 49 0.472 -11.120 5.125 1.00 0.00 O ATOM 296 CB LEU A 49 3.155 -9.804 4.519 1.00 0.00 C ATOM 297 CG LEU A 49 4.451 -9.491 3.770 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.785 -10.607 2.793 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.336 -8.160 3.042 1.00 0.00 C ATOM 0 H LEU A 49 1.361 -8.086 4.548 1.00 0.00 H new ATOM 0 HA LEU A 49 2.210 -10.021 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.994 -9.034 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.278 -10.749 5.048 1.00 0.00 H new ATOM 0 HG LEU A 49 5.260 -9.418 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.710 -10.367 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.909 -11.543 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.976 -10.712 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.267 -7.952 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.515 -8.207 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.143 -7.366 3.764 1.00 0.00 H new ATOM 311 N PRO A 50 1.002 -12.142 3.191 1.00 0.00 N ATOM 312 CA PRO A 50 0.226 -13.351 3.481 1.00 0.00 C ATOM 313 C PRO A 50 0.799 -14.140 4.661 1.00 0.00 C ATOM 314 O PRO A 50 0.390 -13.935 5.804 1.00 0.00 O ATOM 315 CB PRO A 50 0.309 -14.158 2.179 1.00 0.00 C ATOM 316 CG PRO A 50 1.537 -13.663 1.496 1.00 0.00 C ATOM 317 CD PRO A 50 1.675 -12.216 1.880 1.00 0.00 C ATOM 0 HA PRO A 50 -0.798 -13.120 3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.373 -15.227 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.576 -14.003 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.412 -14.234 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.452 -13.773 0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.721 -11.917 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.203 -11.560 1.149 1.00 0.00 H new ATOM 325 N ARG A 51 1.742 -15.041 4.388 1.00 0.00 N ATOM 326 CA ARG A 51 2.353 -15.844 5.441 1.00 0.00 C ATOM 327 C ARG A 51 3.805 -16.178 5.109 1.00 0.00 C ATOM 328 O ARG A 51 4.731 -15.657 5.730 1.00 0.00 O ATOM 329 CB ARG A 51 1.554 -17.132 5.655 1.00 0.00 C ATOM 330 CG ARG A 51 1.264 -17.431 7.117 1.00 0.00 C ATOM 331 CD ARG A 51 1.202 -18.927 7.378 1.00 0.00 C ATOM 332 NE ARG A 51 -0.105 -19.487 7.042 1.00 0.00 N ATOM 333 CZ ARG A 51 -0.457 -20.747 7.291 1.00 0.00 C ATOM 334 NH1 ARG A 51 0.395 -21.579 7.876 1.00 0.00 N ATOM 335 NH2 ARG A 51 -1.666 -21.175 6.953 1.00 0.00 N ATOM 0 H ARG A 51 2.097 -15.231 3.451 1.00 0.00 H new ATOM 0 HA ARG A 51 2.341 -15.258 6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.611 -17.059 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.105 -17.968 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.037 -16.983 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.318 -16.971 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.973 -19.429 6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.421 -19.121 8.428 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.787 -18.878 6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.326 -21.255 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.119 -22.543 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.325 -20.539 6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.937 -22.140 7.143 1.00 0.00 H new ATOM 349 N ASP A 52 3.994 -17.057 4.129 1.00 0.00 N ATOM 350 CA ASP A 52 5.331 -17.471 3.716 1.00 0.00 C ATOM 351 C ASP A 52 6.152 -16.284 3.223 1.00 0.00 C ATOM 352 O ASP A 52 7.328 -16.150 3.559 1.00 0.00 O ATOM 353 CB ASP A 52 5.240 -18.532 2.617 1.00 0.00 C ATOM 354 CG ASP A 52 4.264 -19.640 2.962 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.474 -20.318 3.990 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.290 -19.830 2.203 1.00 0.00 O ATOM 0 H ASP A 52 3.237 -17.497 3.606 1.00 0.00 H new ATOM 0 HA ASP A 52 5.833 -17.894 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.934 -18.059 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.228 -18.961 2.448 1.00 0.00 H new ATOM 361 N GLN A 53 5.527 -15.426 2.421 1.00 0.00 N ATOM 362 CA GLN A 53 6.205 -14.253 1.878 1.00 0.00 C ATOM 363 C GLN A 53 6.861 -13.432 2.986 1.00 0.00 C ATOM 364 O GLN A 53 7.883 -12.780 2.767 1.00 0.00 O ATOM 365 CB GLN A 53 5.219 -13.383 1.098 1.00 0.00 C ATOM 366 CG GLN A 53 5.139 -13.732 -0.380 1.00 0.00 C ATOM 367 CD GLN A 53 3.736 -14.104 -0.819 1.00 0.00 C ATOM 368 OE1 GLN A 53 2.927 -13.239 -1.152 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.441 -15.399 -0.820 1.00 0.00 N ATOM 0 H GLN A 53 4.553 -15.521 2.133 1.00 0.00 H new ATOM 0 HA GLN A 53 6.987 -14.601 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.228 -13.484 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.509 -12.337 1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.486 -12.883 -0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.813 -14.562 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.143 -16.082 -0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.512 -15.710 -1.105 1.00 0.00 H new ATOM 378 N HIS A 54 6.270 -13.469 4.176 1.00 0.00 N ATOM 379 CA HIS A 54 6.802 -12.729 5.315 1.00 0.00 C ATOM 380 C HIS A 54 7.836 -13.559 6.068 1.00 0.00 C ATOM 381 O HIS A 54 8.830 -13.029 6.566 1.00 0.00 O ATOM 382 CB HIS A 54 5.671 -12.321 6.262 1.00 0.00 C ATOM 383 CG HIS A 54 6.140 -11.535 7.447 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.982 -12.054 8.409 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.885 -10.259 7.823 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.225 -11.132 9.323 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.572 -10.034 8.990 1.00 0.00 N ATOM 0 H HIS A 54 5.424 -14.002 4.377 1.00 0.00 H new ATOM 0 HA HIS A 54 7.289 -11.831 4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.941 -11.730 5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.158 -13.217 6.610 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.258 -9.551 7.302 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.851 -11.255 10.194 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.577 -9.160 9.515 1.00 0.00 H new ATOM 396 N GLU A 55 7.594 -14.863 6.150 1.00 0.00 N ATOM 397 CA GLU A 55 8.501 -15.770 6.845 1.00 0.00 C ATOM 398 C GLU A 55 9.915 -15.690 6.270 1.00 0.00 C ATOM 399 O GLU A 55 10.885 -16.050 6.936 1.00 0.00 O ATOM 400 CB GLU A 55 7.982 -17.207 6.755 1.00 0.00 C ATOM 401 CG GLU A 55 8.085 -17.974 8.064 1.00 0.00 C ATOM 402 CD GLU A 55 8.963 -19.206 7.952 1.00 0.00 C ATOM 403 OE1 GLU A 55 10.186 -19.047 7.759 1.00 0.00 O ATOM 404 OE2 GLU A 55 8.426 -20.328 8.060 1.00 0.00 O ATOM 0 H GLU A 55 6.776 -15.316 5.743 1.00 0.00 H new ATOM 0 HA GLU A 55 8.542 -15.466 7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.940 -17.189 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.542 -17.739 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.485 -17.316 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.087 -18.272 8.386 1.00 0.00 H new ATOM 411 N PHE A 56 10.026 -15.221 5.031 1.00 0.00 N ATOM 412 CA PHE A 56 11.322 -15.102 4.374 1.00 0.00 C ATOM 413 C PHE A 56 11.889 -13.692 4.533 1.00 0.00 C ATOM 414 O PHE A 56 12.993 -13.512 5.041 1.00 0.00 O ATOM 415 CB PHE A 56 11.192 -15.468 2.886 1.00 0.00 C ATOM 416 CG PHE A 56 12.143 -14.733 1.976 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.504 -14.991 2.015 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.670 -13.785 1.083 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.376 -14.317 1.181 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.537 -13.108 0.246 1.00 0.00 C ATOM 421 CZ PHE A 56 13.891 -13.374 0.295 1.00 0.00 C ATOM 0 H PHE A 56 9.235 -14.918 4.463 1.00 0.00 H new ATOM 0 HA PHE A 56 12.015 -15.796 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.356 -16.540 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.171 -15.266 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.888 -15.728 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.612 -13.573 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.435 -14.527 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.156 -12.372 -0.446 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.570 -12.846 -0.358 1.00 0.00 H new ATOM 431 N VAL A 57 11.130 -12.700 4.082 1.00 0.00 N ATOM 432 CA VAL A 57 11.560 -11.307 4.156 1.00 0.00 C ATOM 433 C VAL A 57 11.790 -10.839 5.595 1.00 0.00 C ATOM 434 O VAL A 57 12.358 -9.770 5.815 1.00 0.00 O ATOM 435 CB VAL A 57 10.533 -10.374 3.485 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.201 -10.419 4.221 1.00 0.00 C ATOM 437 CG2 VAL A 57 11.067 -8.950 3.418 1.00 0.00 C ATOM 0 H VAL A 57 10.211 -12.834 3.660 1.00 0.00 H new ATOM 0 HA VAL A 57 12.510 -11.256 3.624 1.00 0.00 H new ATOM 0 HB VAL A 57 10.367 -10.724 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.491 -9.753 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.812 -11.437 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.345 -10.099 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.328 -8.306 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.266 -8.588 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.990 -8.934 2.838 1.00 0.00 H new ATOM 447 N SER A 58 11.342 -11.624 6.573 1.00 0.00 N ATOM 448 CA SER A 58 11.506 -11.247 7.974 1.00 0.00 C ATOM 449 C SER A 58 12.351 -12.260 8.746 1.00 0.00 C ATOM 450 O SER A 58 13.077 -11.893 9.669 1.00 0.00 O ATOM 451 CB SER A 58 10.138 -11.101 8.642 1.00 0.00 C ATOM 452 OG SER A 58 10.232 -10.347 9.838 1.00 0.00 O ATOM 0 H SER A 58 10.868 -12.515 6.423 1.00 0.00 H new ATOM 0 HA SER A 58 12.031 -10.292 7.994 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.445 -10.615 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.730 -12.088 8.862 1.00 0.00 H new ATOM 0 HG SER A 58 9.783 -10.828 10.564 1.00 0.00 H new ATOM 458 N SER A 59 12.244 -13.532 8.380 1.00 0.00 N ATOM 459 CA SER A 59 12.993 -14.583 9.065 1.00 0.00 C ATOM 460 C SER A 59 14.192 -15.065 8.247 1.00 0.00 C ATOM 461 O SER A 59 15.022 -15.822 8.749 1.00 0.00 O ATOM 462 CB SER A 59 12.073 -15.765 9.379 1.00 0.00 C ATOM 463 OG SER A 59 12.333 -16.284 10.672 1.00 0.00 O ATOM 0 H SER A 59 11.651 -13.861 7.618 1.00 0.00 H new ATOM 0 HA SER A 59 13.376 -14.156 9.992 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.032 -15.447 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.215 -16.548 8.634 1.00 0.00 H new ATOM 0 HG SER A 59 11.731 -17.037 10.849 1.00 0.00 H new ATOM 469 N GLN A 60 14.279 -14.640 6.990 1.00 0.00 N ATOM 470 CA GLN A 60 15.383 -15.056 6.128 1.00 0.00 C ATOM 471 C GLN A 60 16.134 -13.858 5.554 1.00 0.00 C ATOM 472 O GLN A 60 17.303 -13.637 5.871 1.00 0.00 O ATOM 473 CB GLN A 60 14.857 -15.931 4.991 1.00 0.00 C ATOM 474 CG GLN A 60 14.587 -17.369 5.404 1.00 0.00 C ATOM 475 CD GLN A 60 15.653 -18.327 4.910 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.679 -18.691 3.734 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.539 -18.742 5.808 1.00 0.00 N ATOM 0 H GLN A 60 13.606 -14.014 6.548 1.00 0.00 H new ATOM 0 HA GLN A 60 16.082 -15.628 6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.937 -15.494 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.580 -15.926 4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.528 -17.426 6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.617 -17.679 5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.480 -18.414 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.279 -19.388 5.534 1.00 0.00 H new ATOM 486 N ALA A 61 15.457 -13.096 4.698 1.00 0.00 N ATOM 487 CA ALA A 61 16.051 -11.923 4.060 1.00 0.00 C ATOM 488 C ALA A 61 16.895 -11.104 5.038 1.00 0.00 C ATOM 489 O ALA A 61 16.659 -11.125 6.246 1.00 0.00 O ATOM 490 CB ALA A 61 14.963 -11.054 3.449 1.00 0.00 C ATOM 0 H ALA A 61 14.489 -13.272 4.428 1.00 0.00 H new ATOM 0 HA ALA A 61 16.716 -12.278 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.416 -10.183 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.415 -11.628 2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.277 -10.727 4.230 1.00 0.00 H new ATOM 496 N PRO A 62 17.897 -10.371 4.520 1.00 0.00 N ATOM 497 CA PRO A 62 18.784 -9.543 5.345 1.00 0.00 C ATOM 498 C PRO A 62 18.061 -8.348 5.959 1.00 0.00 C ATOM 499 O PRO A 62 17.000 -7.941 5.487 1.00 0.00 O ATOM 500 CB PRO A 62 19.853 -9.069 4.356 1.00 0.00 C ATOM 501 CG PRO A 62 19.191 -9.131 3.024 1.00 0.00 C ATOM 502 CD PRO A 62 18.244 -10.295 3.088 1.00 0.00 C ATOM 0 HA PRO A 62 19.184 -10.099 6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.184 -8.057 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.735 -9.709 4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.658 -8.205 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.924 -9.268 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.362 -10.131 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.713 -11.215 2.738 1.00 0.00 H new ATOM 510 N GLN A 63 18.646 -7.790 7.016 1.00 0.00 N ATOM 511 CA GLN A 63 18.062 -6.640 7.700 1.00 0.00 C ATOM 512 C GLN A 63 17.760 -5.511 6.718 1.00 0.00 C ATOM 513 O GLN A 63 16.771 -4.794 6.868 1.00 0.00 O ATOM 514 CB GLN A 63 19.008 -6.139 8.793 1.00 0.00 C ATOM 515 CG GLN A 63 18.465 -4.951 9.571 1.00 0.00 C ATOM 516 CD GLN A 63 18.719 -5.066 11.062 1.00 0.00 C ATOM 517 OE1 GLN A 63 18.682 -6.159 11.627 1.00 0.00 O ATOM 518 NE2 GLN A 63 18.977 -3.934 11.707 1.00 0.00 N ATOM 0 H GLN A 63 19.525 -8.116 7.418 1.00 0.00 H new ATOM 0 HA GLN A 63 17.124 -6.959 8.154 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.212 -6.954 9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.959 -5.861 8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.924 -4.036 9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.393 -4.865 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.998 -3.050 11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.155 -3.948 12.711 1.00 0.00 H new ATOM 527 N SER A 64 18.616 -5.361 5.712 1.00 0.00 N ATOM 528 CA SER A 64 18.438 -4.320 4.706 1.00 0.00 C ATOM 529 C SER A 64 17.085 -4.460 4.016 1.00 0.00 C ATOM 530 O SER A 64 16.402 -3.469 3.756 1.00 0.00 O ATOM 531 CB SER A 64 19.562 -4.383 3.670 1.00 0.00 C ATOM 532 OG SER A 64 20.789 -3.937 4.221 1.00 0.00 O ATOM 0 H SER A 64 19.439 -5.947 5.572 1.00 0.00 H new ATOM 0 HA SER A 64 18.473 -3.353 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.672 -5.406 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.302 -3.768 2.809 1.00 0.00 H new ATOM 0 HG SER A 64 21.492 -3.989 3.540 1.00 0.00 H new ATOM 538 N LEU A 65 16.703 -5.699 3.724 1.00 0.00 N ATOM 539 CA LEU A 65 15.431 -5.973 3.068 1.00 0.00 C ATOM 540 C LEU A 65 14.265 -5.723 4.020 1.00 0.00 C ATOM 541 O LEU A 65 13.169 -5.360 3.593 1.00 0.00 O ATOM 542 CB LEU A 65 15.393 -7.417 2.564 1.00 0.00 C ATOM 543 CG LEU A 65 14.549 -7.644 1.309 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.106 -7.236 1.557 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.129 -6.875 0.132 1.00 0.00 C ATOM 0 H LEU A 65 17.257 -6.530 3.932 1.00 0.00 H new ATOM 0 HA LEU A 65 15.335 -5.297 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.413 -7.741 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.009 -8.054 3.361 1.00 0.00 H new ATOM 0 HG LEU A 65 14.568 -8.707 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.520 -7.404 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.695 -7.831 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.067 -6.180 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.516 -7.048 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.140 -5.810 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.147 -7.216 -0.059 1.00 0.00 H new ATOM 557 N ARG A 66 14.510 -5.920 5.311 1.00 0.00 N ATOM 558 CA ARG A 66 13.483 -5.716 6.325 1.00 0.00 C ATOM 559 C ARG A 66 13.241 -4.229 6.565 1.00 0.00 C ATOM 560 O ARG A 66 12.121 -3.812 6.860 1.00 0.00 O ATOM 561 CB ARG A 66 13.887 -6.397 7.635 1.00 0.00 C ATOM 562 CG ARG A 66 14.362 -7.829 7.455 1.00 0.00 C ATOM 563 CD ARG A 66 15.002 -8.368 8.724 1.00 0.00 C ATOM 564 NE ARG A 66 15.916 -9.474 8.451 1.00 0.00 N ATOM 565 CZ ARG A 66 16.444 -10.250 9.394 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.152 -10.045 10.673 1.00 0.00 N ATOM 567 NH2 ARG A 66 17.267 -11.234 9.059 1.00 0.00 N ATOM 0 H ARG A 66 15.412 -6.221 5.680 1.00 0.00 H new ATOM 0 HA ARG A 66 12.557 -6.162 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.680 -5.817 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.037 -6.388 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.519 -8.461 7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.080 -7.875 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.544 -7.566 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.223 -8.703 9.409 1.00 0.00 H new ATOM 0 HE ARG A 66 16.164 -9.663 7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.520 -9.289 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.560 -10.643 11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.495 -11.396 8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.672 -11.829 9.782 1.00 0.00 H new ATOM 581 N ASN A 67 14.298 -3.434 6.434 1.00 0.00 N ATOM 582 CA ASN A 67 14.199 -1.993 6.635 1.00 0.00 C ATOM 583 C ASN A 67 13.252 -1.367 5.617 1.00 0.00 C ATOM 584 O ASN A 67 12.410 -0.539 5.964 1.00 0.00 O ATOM 585 CB ASN A 67 15.581 -1.346 6.529 1.00 0.00 C ATOM 586 CG ASN A 67 16.379 -1.472 7.812 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.940 -1.034 8.876 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.559 -2.074 7.719 1.00 0.00 N ATOM 0 H ASN A 67 15.232 -3.763 6.190 1.00 0.00 H new ATOM 0 HA ASN A 67 13.799 -1.817 7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.135 -1.810 5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.467 -0.292 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.140 -2.188 8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.884 -2.422 6.817 1.00 0.00 H new ATOM 595 N ARG A 68 13.397 -1.770 4.358 1.00 0.00 N ATOM 596 CA ARG A 68 12.554 -1.250 3.287 1.00 0.00 C ATOM 597 C ARG A 68 11.141 -1.823 3.374 1.00 0.00 C ATOM 598 O ARG A 68 10.186 -1.222 2.883 1.00 0.00 O ATOM 599 CB ARG A 68 13.167 -1.578 1.924 1.00 0.00 C ATOM 600 CG ARG A 68 13.222 -3.067 1.623 1.00 0.00 C ATOM 601 CD ARG A 68 13.891 -3.343 0.285 1.00 0.00 C ATOM 602 NE ARG A 68 13.083 -4.219 -0.560 1.00 0.00 N ATOM 603 CZ ARG A 68 12.040 -3.804 -1.276 1.00 0.00 C ATOM 604 NH1 ARG A 68 11.676 -2.528 -1.252 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.360 -4.667 -2.019 1.00 0.00 N ATOM 0 H ARG A 68 14.090 -2.454 4.055 1.00 0.00 H new ATOM 0 HA ARG A 68 12.493 -0.168 3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.589 -1.080 1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.177 -1.170 1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.767 -3.579 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.211 -3.475 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.067 -2.401 -0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.866 -3.801 0.454 1.00 0.00 H new ATOM 0 HE ARG A 68 13.333 -5.207 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.196 -1.860 -0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.876 -2.215 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.636 -5.649 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.561 -4.349 -2.567 1.00 0.00 H new ATOM 619 N TYR A 69 11.017 -2.991 4.000 1.00 0.00 N ATOM 620 CA TYR A 69 9.724 -3.649 4.150 1.00 0.00 C ATOM 621 C TYR A 69 8.720 -2.738 4.853 1.00 0.00 C ATOM 622 O TYR A 69 7.652 -2.444 4.316 1.00 0.00 O ATOM 623 CB TYR A 69 9.887 -4.953 4.935 1.00 0.00 C ATOM 624 CG TYR A 69 8.586 -5.682 5.186 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.773 -5.341 6.259 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.172 -6.711 4.350 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.584 -6.005 6.493 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.985 -7.379 4.577 1.00 0.00 C ATOM 629 CZ TYR A 69 6.195 -7.023 5.649 1.00 0.00 C ATOM 630 OH TYR A 69 5.011 -7.687 5.879 1.00 0.00 O ATOM 0 H TYR A 69 11.798 -3.501 4.412 1.00 0.00 H new ATOM 0 HA TYR A 69 9.340 -3.873 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.563 -5.612 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.360 -4.733 5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.075 -4.543 6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.788 -6.993 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.963 -5.728 7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.677 -8.177 3.918 1.00 0.00 H new ATOM 0 HH TYR A 69 4.268 -7.048 5.860 1.00 0.00 H new ATOM 640 N ASN A 70 9.067 -2.300 6.058 1.00 0.00 N ATOM 641 CA ASN A 70 8.193 -1.427 6.835 1.00 0.00 C ATOM 642 C ASN A 70 8.164 -0.016 6.254 1.00 0.00 C ATOM 643 O ASN A 70 7.182 0.709 6.412 1.00 0.00 O ATOM 644 CB ASN A 70 8.652 -1.380 8.293 1.00 0.00 C ATOM 645 CG ASN A 70 7.627 -0.729 9.202 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.349 0.465 9.087 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.061 -1.512 10.112 1.00 0.00 N ATOM 0 H ASN A 70 9.946 -2.535 6.518 1.00 0.00 H new ATOM 0 HA ASN A 70 7.184 -1.836 6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.850 -2.394 8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.591 -0.831 8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.365 -1.129 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.322 -2.496 10.171 1.00 0.00 H new ATOM 654 N ASN A 71 9.247 0.369 5.587 1.00 0.00 N ATOM 655 CA ASN A 71 9.346 1.695 4.989 1.00 0.00 C ATOM 656 C ASN A 71 8.261 1.910 3.936 1.00 0.00 C ATOM 657 O ASN A 71 7.437 2.817 4.057 1.00 0.00 O ATOM 658 CB ASN A 71 10.729 1.892 4.364 1.00 0.00 C ATOM 659 CG ASN A 71 11.507 3.014 5.023 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.486 2.775 5.731 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.074 4.248 4.794 1.00 0.00 N ATOM 0 H ASN A 71 10.069 -0.219 5.447 1.00 0.00 H new ATOM 0 HA ASN A 71 9.202 2.431 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.296 0.965 4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.617 2.107 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.557 5.044 5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.258 4.400 4.201 1.00 0.00 H new ATOM 668 N LEU A 72 8.268 1.074 2.902 1.00 0.00 N ATOM 669 CA LEU A 72 7.287 1.180 1.826 1.00 0.00 C ATOM 670 C LEU A 72 5.862 1.136 2.372 1.00 0.00 C ATOM 671 O LEU A 72 5.008 1.924 1.966 1.00 0.00 O ATOM 672 CB LEU A 72 7.492 0.060 0.801 1.00 0.00 C ATOM 673 CG LEU A 72 7.225 -1.355 1.318 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.746 -1.697 1.207 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.066 -2.366 0.553 1.00 0.00 C ATOM 0 H LEU A 72 8.941 0.316 2.786 1.00 0.00 H new ATOM 0 HA LEU A 72 7.434 2.142 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.840 0.247 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.518 0.108 0.435 1.00 0.00 H new ATOM 0 HG LEU A 72 7.506 -1.396 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.577 -2.707 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.164 -0.990 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.436 -1.639 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.865 -3.368 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.814 -2.322 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.123 -2.134 0.684 1.00 0.00 H new ATOM 687 N TYR A 73 5.611 0.214 3.295 1.00 0.00 N ATOM 688 CA TYR A 73 4.287 0.078 3.890 1.00 0.00 C ATOM 689 C TYR A 73 3.961 1.276 4.776 1.00 0.00 C ATOM 690 O TYR A 73 2.793 1.596 4.997 1.00 0.00 O ATOM 691 CB TYR A 73 4.195 -1.215 4.703 1.00 0.00 C ATOM 692 CG TYR A 73 2.776 -1.625 5.030 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.762 -1.507 4.086 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.450 -2.130 6.283 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.465 -1.881 4.382 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.155 -2.506 6.585 1.00 0.00 C ATOM 697 CZ TYR A 73 0.167 -2.379 5.632 1.00 0.00 C ATOM 698 OH TYR A 73 -1.124 -2.753 5.929 1.00 0.00 O ATOM 0 H TYR A 73 6.304 -0.447 3.646 1.00 0.00 H new ATOM 0 HA TYR A 73 3.558 0.039 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.678 -2.019 4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.752 -1.091 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.992 -1.117 3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.221 -2.230 7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.311 -1.784 3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.918 -2.898 7.563 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.471 -3.327 5.214 1.00 0.00 H new ATOM 708 N SER A 74 4.999 1.938 5.281 1.00 0.00 N ATOM 709 CA SER A 74 4.817 3.102 6.140 1.00 0.00 C ATOM 710 C SER A 74 3.985 4.170 5.438 1.00 0.00 C ATOM 711 O SER A 74 3.005 4.670 5.991 1.00 0.00 O ATOM 712 CB SER A 74 6.174 3.681 6.544 1.00 0.00 C ATOM 713 OG SER A 74 6.178 4.070 7.906 1.00 0.00 O ATOM 0 H SER A 74 5.973 1.688 5.110 1.00 0.00 H new ATOM 0 HA SER A 74 4.285 2.782 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.955 2.940 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.407 4.541 5.916 1.00 0.00 H new ATOM 0 HG SER A 74 7.057 4.435 8.139 1.00 0.00 H new ATOM 719 N HIS A 75 4.379 4.512 4.216 1.00 0.00 N ATOM 720 CA HIS A 75 3.665 5.519 3.440 1.00 0.00 C ATOM 721 C HIS A 75 2.344 4.965 2.910 1.00 0.00 C ATOM 722 O HIS A 75 1.441 5.723 2.558 1.00 0.00 O ATOM 723 CB HIS A 75 4.530 6.014 2.279 1.00 0.00 C ATOM 724 CG HIS A 75 4.855 4.955 1.272 1.00 0.00 C ATOM 725 ND1 HIS A 75 4.054 4.094 0.600 1.00 0.00 N flip ATOM 726 CD2 HIS A 75 6.140 4.688 0.850 1.00 0.00 C flip ATOM 727 CE1 HIS A 75 4.863 3.331 -0.207 1.00 0.00 C flip ATOM 728 NE2 HIS A 75 6.116 3.710 -0.038 1.00 0.00 N flip ATOM 0 H HIS A 75 5.187 4.108 3.743 1.00 0.00 H new ATOM 0 HA HIS A 75 3.446 6.359 4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.014 6.833 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 75 5.460 6.420 2.678 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.028 5.199 1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.528 2.548 -0.872 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.928 3.315 -0.512 1.00 0.00 H new ATOM 737 N THR A 76 2.234 3.639 2.856 1.00 0.00 N ATOM 738 CA THR A 76 1.019 2.994 2.370 1.00 0.00 C ATOM 739 C THR A 76 -0.108 3.122 3.391 1.00 0.00 C ATOM 740 O THR A 76 -1.242 3.450 3.042 1.00 0.00 O ATOM 741 CB THR A 76 1.284 1.517 2.072 1.00 0.00 C ATOM 742 OG1 THR A 76 2.252 1.378 1.047 1.00 0.00 O ATOM 743 CG2 THR A 76 0.045 0.760 1.639 1.00 0.00 C ATOM 0 H THR A 76 2.970 2.993 3.142 1.00 0.00 H new ATOM 0 HA THR A 76 0.714 3.494 1.451 1.00 0.00 H new ATOM 0 HB THR A 76 1.639 1.093 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.142 1.572 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.304 -0.281 1.444 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.704 0.805 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.358 1.210 0.732 1.00 0.00 H new ATOM 751 N GLN A 77 0.211 2.854 4.652 1.00 0.00 N ATOM 752 CA GLN A 77 -0.773 2.930 5.725 1.00 0.00 C ATOM 753 C GLN A 77 -1.316 4.348 5.882 1.00 0.00 C ATOM 754 O GLN A 77 -2.517 4.545 6.064 1.00 0.00 O ATOM 755 CB GLN A 77 -0.156 2.462 7.044 1.00 0.00 C ATOM 756 CG GLN A 77 -0.037 0.951 7.158 1.00 0.00 C ATOM 757 CD GLN A 77 -0.159 0.464 8.589 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.182 0.669 9.242 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.888 -0.186 9.084 1.00 0.00 N ATOM 0 H GLN A 77 1.146 2.582 4.957 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.603 2.274 5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.834 2.905 7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.761 2.834 7.871 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.812 0.482 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.923 0.634 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.716 -0.334 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.864 -0.538 10.041 1.00 0.00 H new ATOM 768 N ARG A 78 -0.425 5.332 5.819 1.00 0.00 N ATOM 769 CA ARG A 78 -0.821 6.729 5.963 1.00 0.00 C ATOM 770 C ARG A 78 -1.564 7.228 4.726 1.00 0.00 C ATOM 771 O ARG A 78 -2.422 8.105 4.822 1.00 0.00 O ATOM 772 CB ARG A 78 0.406 7.605 6.228 1.00 0.00 C ATOM 773 CG ARG A 78 1.464 7.519 5.142 1.00 0.00 C ATOM 774 CD ARG A 78 1.388 8.705 4.195 1.00 0.00 C ATOM 775 NE ARG A 78 2.698 9.057 3.651 1.00 0.00 N ATOM 776 CZ ARG A 78 3.700 9.537 4.384 1.00 0.00 C ATOM 777 NH1 ARG A 78 3.546 9.724 5.689 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.859 9.831 3.811 1.00 0.00 N ATOM 0 H ARG A 78 0.574 5.189 5.670 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.499 6.796 6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.086 8.642 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.850 7.314 7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.453 7.479 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.335 6.594 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.706 8.472 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.972 9.564 4.722 1.00 0.00 H new ATOM 0 HE ARG A 78 2.854 8.927 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.656 9.500 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.317 10.092 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.983 9.689 2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.627 10.199 4.373 1.00 0.00 H new ATOM 792 N THR A 79 -1.232 6.669 3.566 1.00 0.00 N ATOM 793 CA THR A 79 -1.878 7.067 2.318 1.00 0.00 C ATOM 794 C THR A 79 -3.328 6.596 2.279 1.00 0.00 C ATOM 795 O THR A 79 -4.223 7.346 1.890 1.00 0.00 O ATOM 796 CB THR A 79 -1.118 6.506 1.115 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.669 5.189 1.375 1.00 0.00 O ATOM 798 CG2 THR A 79 0.087 7.336 0.727 1.00 0.00 C ATOM 0 H THR A 79 -0.523 5.943 3.463 1.00 0.00 H new ATOM 0 HA THR A 79 -1.865 8.156 2.269 1.00 0.00 H new ATOM 0 HB THR A 79 -1.830 6.524 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.374 4.688 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.580 6.882 -0.133 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.234 8.345 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.784 7.379 1.564 1.00 0.00 H new ATOM 806 N LEU A 80 -3.553 5.350 2.684 1.00 0.00 N ATOM 807 CA LEU A 80 -4.897 4.780 2.695 1.00 0.00 C ATOM 808 C LEU A 80 -5.850 5.642 3.520 1.00 0.00 C ATOM 809 O LEU A 80 -7.061 5.629 3.299 1.00 0.00 O ATOM 810 CB LEU A 80 -4.867 3.355 3.252 1.00 0.00 C ATOM 811 CG LEU A 80 -4.203 2.314 2.348 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.734 1.121 3.166 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.163 1.871 1.252 1.00 0.00 C ATOM 0 H LEU A 80 -2.823 4.716 3.009 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.259 4.753 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.345 3.367 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.891 3.039 3.452 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.332 2.769 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.264 0.390 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.013 1.453 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.588 0.663 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.675 1.131 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.053 1.432 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.449 2.733 0.649 1.00 0.00 H new ATOM 825 N ASP A 81 -5.296 6.389 4.471 1.00 0.00 N ATOM 826 CA ASP A 81 -6.098 7.255 5.328 1.00 0.00 C ATOM 827 C ASP A 81 -6.695 8.410 4.529 1.00 0.00 C ATOM 828 O ASP A 81 -7.902 8.648 4.573 1.00 0.00 O ATOM 829 CB ASP A 81 -5.248 7.799 6.477 1.00 0.00 C ATOM 830 CG ASP A 81 -5.346 6.941 7.723 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.442 6.407 7.991 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.326 6.803 8.431 1.00 0.00 O ATOM 0 H ASP A 81 -4.295 6.412 4.667 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.915 6.662 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.207 7.857 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.567 8.815 6.712 1.00 0.00 H new ATOM 837 N MET A 82 -5.843 9.122 3.798 1.00 0.00 N ATOM 838 CA MET A 82 -6.289 10.251 2.986 1.00 0.00 C ATOM 839 C MET A 82 -7.399 9.828 2.030 1.00 0.00 C ATOM 840 O MET A 82 -8.227 10.644 1.625 1.00 0.00 O ATOM 841 CB MET A 82 -5.114 10.836 2.198 1.00 0.00 C ATOM 842 CG MET A 82 -4.190 11.702 3.039 1.00 0.00 C ATOM 843 SD MET A 82 -3.023 12.645 2.040 1.00 0.00 S ATOM 844 CE MET A 82 -2.023 11.328 1.352 1.00 0.00 C ATOM 0 H MET A 82 -4.841 8.938 3.751 1.00 0.00 H new ATOM 0 HA MET A 82 -6.683 11.015 3.656 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.537 10.020 1.762 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.502 11.430 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.788 12.389 3.638 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.639 11.069 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.056 11.727 1.046 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.875 10.553 2.104 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.529 10.901 0.486 1.00 0.00 H new ATOM 854 N ALA A 83 -7.415 8.546 1.678 1.00 0.00 N ATOM 855 CA ALA A 83 -8.430 8.017 0.776 1.00 0.00 C ATOM 856 C ALA A 83 -9.653 7.521 1.546 1.00 0.00 C ATOM 857 O ALA A 83 -10.533 6.877 0.977 1.00 0.00 O ATOM 858 CB ALA A 83 -7.850 6.895 -0.071 1.00 0.00 C ATOM 0 H ALA A 83 -6.738 7.856 2.003 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.751 8.827 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.619 6.509 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.016 7.277 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.499 6.093 0.578 1.00 0.00 H new ATOM 864 N ASP A 84 -9.703 7.825 2.841 1.00 0.00 N ATOM 865 CA ASP A 84 -10.819 7.413 3.684 1.00 0.00 C ATOM 866 C ASP A 84 -11.160 8.503 4.697 1.00 0.00 C ATOM 867 O ASP A 84 -11.314 8.231 5.888 1.00 0.00 O ATOM 868 CB ASP A 84 -10.485 6.107 4.407 1.00 0.00 C ATOM 869 CG ASP A 84 -11.652 5.139 4.422 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.810 5.605 4.392 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.408 3.915 4.465 1.00 0.00 O ATOM 0 H ASP A 84 -8.982 8.356 3.329 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.688 7.250 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.631 5.635 3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.187 6.328 5.432 1.00 0.00 H new ATOM 876 N MET A 85 -11.266 9.739 4.219 1.00 0.00 N ATOM 877 CA MET A 85 -11.578 10.870 5.088 1.00 0.00 C ATOM 878 C MET A 85 -12.738 11.693 4.534 1.00 0.00 C ATOM 879 O MET A 85 -13.754 11.884 5.203 1.00 0.00 O ATOM 880 CB MET A 85 -10.345 11.759 5.254 1.00 0.00 C ATOM 881 CG MET A 85 -10.147 12.262 6.673 1.00 0.00 C ATOM 882 SD MET A 85 -8.895 11.328 7.574 1.00 0.00 S ATOM 883 CE MET A 85 -9.659 11.202 9.189 1.00 0.00 C ATOM 0 H MET A 85 -11.141 9.983 3.237 1.00 0.00 H new ATOM 0 HA MET A 85 -11.875 10.475 6.059 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.460 11.200 4.948 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.430 12.614 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.860 13.313 6.645 1.00 0.00 H new ATOM 0 HG3 MET A 85 -11.094 12.204 7.210 1.00 0.00 H new ATOM 0 HE1 MET A 85 -9.002 10.648 9.860 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.829 12.201 9.590 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.612 10.680 9.101 1.00 0.00 H new ATOM 893 N GLN A 86 -12.571 12.186 3.311 1.00 0.00 N ATOM 894 CA GLN A 86 -13.592 13.004 2.655 1.00 0.00 C ATOM 895 C GLN A 86 -14.996 12.418 2.825 1.00 0.00 C ATOM 896 O GLN A 86 -15.984 13.152 2.836 1.00 0.00 O ATOM 897 CB GLN A 86 -13.270 13.151 1.167 1.00 0.00 C ATOM 898 CG GLN A 86 -12.069 14.042 0.889 1.00 0.00 C ATOM 899 CD GLN A 86 -12.451 15.344 0.212 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.599 15.403 -1.008 1.00 0.00 O ATOM 901 NE2 GLN A 86 -12.612 16.398 1.004 1.00 0.00 N ATOM 0 H GLN A 86 -11.734 12.033 2.749 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.582 13.983 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -13.085 12.163 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -14.141 13.559 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.559 14.261 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.360 13.504 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.479 16.304 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.868 17.301 0.605 1.00 0.00 H new ATOM 910 N HIS A 87 -15.079 11.098 2.953 1.00 0.00 N ATOM 911 CA HIS A 87 -16.368 10.427 3.117 1.00 0.00 C ATOM 912 C HIS A 87 -16.934 10.666 4.512 1.00 0.00 C ATOM 913 O HIS A 87 -16.969 9.760 5.343 1.00 0.00 O ATOM 914 CB HIS A 87 -16.235 8.922 2.863 1.00 0.00 C ATOM 915 CG HIS A 87 -15.266 8.575 1.778 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.902 8.551 1.972 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.466 8.238 0.482 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.306 8.219 0.844 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.231 8.021 -0.076 1.00 0.00 N ATOM 0 H HIS A 87 -14.274 10.472 2.947 1.00 0.00 H new ATOM 0 HA HIS A 87 -17.055 10.849 2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.922 8.434 3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.214 8.519 2.605 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.419 8.155 -0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.240 8.125 0.698 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.057 7.751 -1.044 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.459 17.082 -0.508 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.018 17.079 -1.856 1.00 0.00 C ATOM 1112 C LEU A 101 -6.694 15.743 -2.153 1.00 0.00 C ATOM 1113 O LEU A 101 -6.371 14.727 -1.541 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.923 17.358 -2.889 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.843 18.342 -2.434 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.753 18.467 -3.487 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.456 19.702 -2.135 1.00 0.00 C ATOM 0 HA LEU A 101 -6.767 17.869 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.446 16.415 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.389 17.746 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.391 17.958 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.995 19.171 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.294 17.492 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.188 18.827 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.675 20.390 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.934 20.091 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.199 19.600 -1.344 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.653 15.728 -3.095 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.381 14.508 -3.458 1.00 0.00 C ATOM 1131 C PRO A 102 -7.519 13.502 -4.213 1.00 0.00 C ATOM 1132 O PRO A 102 -7.527 12.310 -3.904 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.508 15.022 -4.354 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.983 16.289 -4.933 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.108 16.897 -3.872 1.00 0.00 C ATOM 0 HA PRO A 102 -8.725 13.969 -2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.753 14.302 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.420 15.196 -3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.416 16.096 -5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.797 16.963 -5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.270 17.442 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.660 17.602 -3.251 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.782 13.982 -5.209 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.927 13.111 -6.007 1.00 0.00 C ATOM 1145 C HIS A 103 -4.642 12.746 -5.262 1.00 0.00 C ATOM 1146 O HIS A 103 -3.882 11.887 -5.711 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.596 13.772 -7.349 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.587 14.876 -7.254 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -4.347 15.580 -6.093 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.751 15.395 -8.186 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -3.409 16.485 -6.315 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -3.031 16.392 -7.576 1.00 0.00 N ATOM 0 H HIS A 103 -6.759 14.965 -5.482 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.476 12.188 -6.192 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.223 13.011 -8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.514 14.169 -7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.667 15.082 -9.216 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.019 17.182 -5.588 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.319 16.968 -8.025 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.403 13.393 -4.123 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.209 13.118 -3.329 1.00 0.00 C ATOM 1163 C GLU A 104 -3.147 11.644 -2.944 1.00 0.00 C ATOM 1164 O GLU A 104 -2.171 10.954 -3.240 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.191 13.984 -2.068 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.434 15.290 -2.239 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.996 15.197 -1.767 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.767 14.660 -0.663 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.099 15.659 -2.503 1.00 0.00 O ATOM 0 H GLU A 104 -5.017 14.107 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.337 13.360 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.217 14.204 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.741 13.416 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.450 15.580 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.945 16.077 -1.684 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.198 11.168 -2.285 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.267 9.775 -1.862 1.00 0.00 C ATOM 1178 C ASN A 105 -4.181 8.839 -3.063 1.00 0.00 C ATOM 1179 O ASN A 105 -3.392 7.896 -3.072 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.561 9.512 -1.084 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.775 10.161 -1.723 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.098 9.900 -2.882 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.457 11.012 -0.966 1.00 0.00 N ATOM 0 H ASN A 105 -5.013 11.727 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.417 9.579 -1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.725 8.437 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.449 9.885 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.284 11.478 -1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.155 11.200 -0.010 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.000 9.111 -4.075 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.028 8.299 -5.288 1.00 0.00 C ATOM 1192 C VAL A 106 -3.630 8.115 -5.871 1.00 0.00 C ATOM 1193 O VAL A 106 -3.154 6.990 -6.022 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.941 8.931 -6.358 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -6.083 8.009 -7.559 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.303 9.262 -5.767 1.00 0.00 C ATOM 0 H VAL A 106 -5.656 9.892 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.424 7.324 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.480 9.859 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.731 8.475 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.101 7.828 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.518 7.062 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.935 9.707 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.770 8.350 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.181 9.967 -4.944 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.978 9.225 -6.202 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.636 9.183 -6.773 1.00 0.00 C ATOM 1208 C ASP A 107 -0.674 8.422 -5.863 1.00 0.00 C ATOM 1209 O ASP A 107 0.030 7.516 -6.309 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.116 10.601 -7.013 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.366 10.727 -8.324 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.341 9.767 -8.697 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.487 11.783 -8.978 1.00 0.00 O ATOM 0 H ASP A 107 -3.357 10.165 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.694 8.657 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.954 11.298 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.458 10.888 -6.192 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.650 8.796 -4.588 1.00 0.00 N ATOM 1219 CA ASP A 108 0.227 8.148 -3.618 1.00 0.00 C ATOM 1220 C ASP A 108 -0.151 6.681 -3.428 1.00 0.00 C ATOM 1221 O ASP A 108 0.681 5.864 -3.033 1.00 0.00 O ATOM 1222 CB ASP A 108 0.165 8.880 -2.277 1.00 0.00 C ATOM 1223 CG ASP A 108 0.861 10.226 -2.320 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.916 10.830 -3.412 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.350 10.676 -1.263 1.00 0.00 O ATOM 0 H ASP A 108 -1.227 9.543 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 108 1.245 8.192 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.877 9.022 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.625 8.261 -1.507 1.00 0.00 H new ATOM 1230 N MET A 109 -1.407 6.351 -3.713 1.00 0.00 N ATOM 1231 CA MET A 109 -1.888 4.981 -3.573 1.00 0.00 C ATOM 1232 C MET A 109 -1.132 4.050 -4.513 1.00 0.00 C ATOM 1233 O MET A 109 -0.496 3.089 -4.078 1.00 0.00 O ATOM 1234 CB MET A 109 -3.391 4.917 -3.865 1.00 0.00 C ATOM 1235 CG MET A 109 -4.159 3.958 -2.967 1.00 0.00 C ATOM 1236 SD MET A 109 -3.837 4.220 -1.212 1.00 0.00 S ATOM 1237 CE MET A 109 -5.242 5.234 -0.768 1.00 0.00 C ATOM 0 H MET A 109 -2.110 7.013 -4.042 1.00 0.00 H new ATOM 0 HA MET A 109 -1.712 4.656 -2.548 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.814 5.916 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.536 4.620 -4.904 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.227 4.070 -3.155 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.895 2.934 -3.230 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.938 5.972 -0.026 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.617 5.745 -1.655 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.028 4.604 -0.352 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.200 4.350 -5.803 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.517 3.553 -6.815 1.00 0.00 C ATOM 1249 C ARG A 110 0.973 3.458 -6.505 1.00 0.00 C ATOM 1250 O ARG A 110 1.638 2.495 -6.884 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.718 4.164 -8.204 1.00 0.00 C ATOM 1252 CG ARG A 110 -2.118 4.712 -8.433 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.598 4.448 -9.851 1.00 0.00 C ATOM 1254 NE ARG A 110 -2.913 3.037 -10.067 1.00 0.00 N ATOM 1255 CZ ARG A 110 -3.311 2.537 -11.235 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -3.445 3.327 -12.293 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -3.575 1.242 -11.345 1.00 0.00 N ATOM 0 H ARG A 110 -1.723 5.143 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.945 2.551 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.005 4.967 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.506 3.407 -8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.808 4.255 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.125 5.785 -8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.482 5.052 -10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.830 4.761 -10.558 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.823 2.398 -9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.243 4.324 -12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.750 2.938 -13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.473 0.630 -10.535 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.880 0.858 -12.239 1.00 0.00 H new ATOM 1271 N SER A 111 1.487 4.466 -5.807 1.00 0.00 N ATOM 1272 CA SER A 111 2.895 4.501 -5.437 1.00 0.00 C ATOM 1273 C SER A 111 3.251 3.299 -4.571 1.00 0.00 C ATOM 1274 O SER A 111 4.315 2.699 -4.728 1.00 0.00 O ATOM 1275 CB SER A 111 3.217 5.797 -4.690 1.00 0.00 C ATOM 1276 OG SER A 111 4.598 6.104 -4.771 1.00 0.00 O ATOM 0 H SER A 111 0.947 5.270 -5.486 1.00 0.00 H new ATOM 0 HA SER A 111 3.490 4.462 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.634 6.617 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.924 5.700 -3.645 1.00 0.00 H new ATOM 0 HG SER A 111 4.777 6.937 -4.287 1.00 0.00 H new ATOM 1282 N ALA A 112 2.351 2.948 -3.660 1.00 0.00 N ATOM 1283 CA ALA A 112 2.571 1.812 -2.775 1.00 0.00 C ATOM 1284 C ALA A 112 2.650 0.515 -3.569 1.00 0.00 C ATOM 1285 O ALA A 112 3.419 -0.385 -3.232 1.00 0.00 O ATOM 1286 CB ALA A 112 1.470 1.730 -1.727 1.00 0.00 C ATOM 0 H ALA A 112 1.465 3.432 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 112 3.523 1.958 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.651 0.875 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.464 2.644 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.506 1.612 -2.221 1.00 0.00 H new ATOM 1292 N ILE A 113 1.854 0.424 -4.631 1.00 0.00 N ATOM 1293 CA ILE A 113 1.845 -0.768 -5.469 1.00 0.00 C ATOM 1294 C ILE A 113 3.175 -0.925 -6.203 1.00 0.00 C ATOM 1295 O ILE A 113 3.625 -2.039 -6.455 1.00 0.00 O ATOM 1296 CB ILE A 113 0.674 -0.745 -6.483 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.007 -2.113 -6.533 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.146 -0.335 -7.874 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.946 -2.364 -5.373 1.00 0.00 C ATOM 0 H ILE A 113 1.211 1.157 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 113 1.703 -1.625 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.047 -0.000 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.564 -2.199 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.757 -2.890 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.298 -0.330 -8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.583 0.662 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.894 -1.044 -8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.393 -3.353 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.390 -2.311 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.732 -1.609 -5.371 1.00 0.00 H new ATOM 1311 N THR A 114 3.804 0.199 -6.537 1.00 0.00 N ATOM 1312 CA THR A 114 5.087 0.170 -7.232 1.00 0.00 C ATOM 1313 C THR A 114 6.111 -0.599 -6.410 1.00 0.00 C ATOM 1314 O THR A 114 6.756 -1.525 -6.904 1.00 0.00 O ATOM 1315 CB THR A 114 5.590 1.590 -7.495 1.00 0.00 C ATOM 1316 OG1 THR A 114 6.100 2.169 -6.308 1.00 0.00 O ATOM 1317 CG2 THR A 114 4.522 2.514 -8.038 1.00 0.00 C ATOM 0 H THR A 114 3.449 1.135 -6.339 1.00 0.00 H new ATOM 0 HA THR A 114 4.948 -0.332 -8.189 1.00 0.00 H new ATOM 0 HB THR A 114 6.370 1.485 -8.249 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.366 2.571 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.947 3.504 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.146 2.120 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.703 2.584 -7.322 1.00 0.00 H new ATOM 1325 N ASP A 115 6.245 -0.214 -5.146 1.00 0.00 N ATOM 1326 CA ASP A 115 7.179 -0.870 -4.241 1.00 0.00 C ATOM 1327 C ASP A 115 6.687 -2.270 -3.891 1.00 0.00 C ATOM 1328 O ASP A 115 7.438 -3.242 -3.971 1.00 0.00 O ATOM 1329 CB ASP A 115 7.349 -0.044 -2.965 1.00 0.00 C ATOM 1330 CG ASP A 115 8.767 -0.092 -2.430 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.148 -1.131 -1.852 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.496 0.910 -2.588 1.00 0.00 O ATOM 0 H ASP A 115 5.717 0.551 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 115 8.144 -0.952 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.074 0.991 -3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.663 -0.413 -2.202 1.00 0.00 H new ATOM 1337 N TRP A 116 5.418 -2.364 -3.503 1.00 0.00 N ATOM 1338 CA TRP A 116 4.819 -3.645 -3.142 1.00 0.00 C ATOM 1339 C TRP A 116 4.905 -4.631 -4.302 1.00 0.00 C ATOM 1340 O TRP A 116 5.473 -5.714 -4.167 1.00 0.00 O ATOM 1341 CB TRP A 116 3.359 -3.451 -2.731 1.00 0.00 C ATOM 1342 CG TRP A 116 3.184 -3.202 -1.265 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.165 -1.991 -0.635 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.007 -4.189 -0.243 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.986 -2.164 0.715 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.887 -3.505 0.981 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.938 -5.585 -0.244 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.702 -4.170 2.191 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.754 -6.244 0.956 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.637 -5.536 2.159 1.00 0.00 C ATOM 0 H TRP A 116 4.785 -1.568 -3.431 1.00 0.00 H new ATOM 0 HA TRP A 116 5.376 -4.053 -2.299 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.941 -2.612 -3.287 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.789 -4.336 -3.013 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.275 -1.036 -1.127 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.935 -1.417 1.407 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.027 -6.139 -1.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.613 -3.627 3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.699 -7.323 0.967 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.492 -6.080 3.081 1.00 0.00 H new ATOM 1361 N SER A 117 4.340 -4.247 -5.444 1.00 0.00 N ATOM 1362 CA SER A 117 4.358 -5.099 -6.630 1.00 0.00 C ATOM 1363 C SER A 117 5.780 -5.548 -6.950 1.00 0.00 C ATOM 1364 O SER A 117 6.017 -6.710 -7.281 1.00 0.00 O ATOM 1365 CB SER A 117 3.763 -4.359 -7.830 1.00 0.00 C ATOM 1366 OG SER A 117 3.642 -5.218 -8.951 1.00 0.00 O ATOM 0 H SER A 117 3.865 -3.354 -5.573 1.00 0.00 H new ATOM 0 HA SER A 117 3.752 -5.981 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.783 -3.960 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.395 -3.508 -8.086 1.00 0.00 H new ATOM 0 HG SER A 117 3.258 -4.722 -9.704 1.00 0.00 H new ATOM 1372 N ASP A 118 6.723 -4.618 -6.839 1.00 0.00 N ATOM 1373 CA ASP A 118 8.124 -4.915 -7.106 1.00 0.00 C ATOM 1374 C ASP A 118 8.635 -5.986 -6.150 1.00 0.00 C ATOM 1375 O ASP A 118 9.492 -6.795 -6.505 1.00 0.00 O ATOM 1376 CB ASP A 118 8.971 -3.648 -6.969 1.00 0.00 C ATOM 1377 CG ASP A 118 10.376 -3.832 -7.508 1.00 0.00 C ATOM 1378 OD1 ASP A 118 11.108 -4.695 -6.978 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.746 -3.113 -8.460 1.00 0.00 O ATOM 0 H ASP A 118 6.541 -3.652 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 118 8.207 -5.288 -8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.485 -2.830 -7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.022 -3.360 -5.919 1.00 0.00 H new ATOM 1384 N MET A 119 8.097 -5.985 -4.934 1.00 0.00 N ATOM 1385 CA MET A 119 8.492 -6.955 -3.922 1.00 0.00 C ATOM 1386 C MET A 119 7.885 -8.323 -4.218 1.00 0.00 C ATOM 1387 O MET A 119 8.526 -9.353 -4.016 1.00 0.00 O ATOM 1388 CB MET A 119 8.056 -6.481 -2.534 1.00 0.00 C ATOM 1389 CG MET A 119 8.789 -7.174 -1.396 1.00 0.00 C ATOM 1390 SD MET A 119 8.353 -6.505 0.220 1.00 0.00 S ATOM 1391 CE MET A 119 9.972 -6.086 0.861 1.00 0.00 C ATOM 0 H MET A 119 7.386 -5.322 -4.627 1.00 0.00 H new ATOM 0 HA MET A 119 9.578 -7.045 -3.943 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.219 -5.406 -2.459 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.985 -6.650 -2.421 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.561 -8.240 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.864 -7.075 -1.548 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.169 -6.669 1.761 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.730 -6.310 0.110 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.004 -5.024 1.103 1.00 0.00 H new ATOM 1401 N ARG A 120 6.646 -8.326 -4.701 1.00 0.00 N ATOM 1402 CA ARG A 120 5.953 -9.569 -5.026 1.00 0.00 C ATOM 1403 C ARG A 120 6.821 -10.467 -5.904 1.00 0.00 C ATOM 1404 O ARG A 120 6.880 -11.680 -5.702 1.00 0.00 O ATOM 1405 CB ARG A 120 4.630 -9.272 -5.734 1.00 0.00 C ATOM 1406 CG ARG A 120 3.669 -10.449 -5.744 1.00 0.00 C ATOM 1407 CD ARG A 120 2.222 -9.986 -5.790 1.00 0.00 C ATOM 1408 NE ARG A 120 1.287 -11.093 -5.605 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.000 -10.935 -5.304 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.508 -9.718 -5.153 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.781 -11.996 -5.155 1.00 0.00 N ATOM 0 H ARG A 120 6.101 -7.482 -4.876 1.00 0.00 H new ATOM 0 HA ARG A 120 5.749 -10.093 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.149 -8.424 -5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.836 -8.973 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.877 -11.083 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.829 -11.058 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.056 -9.238 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.026 -9.502 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 120 1.641 -12.043 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.088 -8.899 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.495 -9.602 -4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.396 -12.933 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.767 -11.875 -4.924 1.00 0.00 H new ATOM 1425 N GLU A 121 7.495 -9.861 -6.877 1.00 0.00 N ATOM 1426 CA GLU A 121 8.361 -10.606 -7.783 1.00 0.00 C ATOM 1427 C GLU A 121 9.752 -10.784 -7.180 1.00 0.00 C ATOM 1428 O GLU A 121 10.359 -11.848 -7.299 1.00 0.00 O ATOM 1429 CB GLU A 121 8.463 -9.887 -9.131 1.00 0.00 C ATOM 1430 CG GLU A 121 7.507 -10.429 -10.181 1.00 0.00 C ATOM 1431 CD GLU A 121 7.840 -9.942 -11.578 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.148 -8.742 -11.731 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.793 -10.762 -12.519 1.00 0.00 O ATOM 0 H GLU A 121 7.458 -8.858 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 121 7.923 -11.592 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.264 -8.825 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.484 -9.972 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.534 -11.519 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.489 -10.131 -9.929 1.00 0.00 H new ATOM 1440 N ALA A 122 10.249 -9.735 -6.533 1.00 0.00 N ATOM 1441 CA ALA A 122 11.567 -9.775 -5.910 1.00 0.00 C ATOM 1442 C ALA A 122 11.615 -10.809 -4.791 1.00 0.00 C ATOM 1443 O ALA A 122 12.431 -11.730 -4.817 1.00 0.00 O ATOM 1444 CB ALA A 122 11.940 -8.399 -5.377 1.00 0.00 C ATOM 0 H ALA A 122 9.759 -8.847 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 122 12.292 -10.068 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.926 -8.443 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.956 -7.683 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.205 -8.085 -4.636 1.00 0.00 H new ATOM 1450 N LEU A 123 10.735 -10.649 -3.807 1.00 0.00 N ATOM 1451 CA LEU A 123 10.674 -11.568 -2.676 1.00 0.00 C ATOM 1452 C LEU A 123 10.452 -13.002 -3.150 1.00 0.00 C ATOM 1453 O LEU A 123 11.114 -13.930 -2.685 1.00 0.00 O ATOM 1454 CB LEU A 123 9.554 -11.154 -1.716 1.00 0.00 C ATOM 1455 CG LEU A 123 9.999 -10.885 -0.278 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.132 -9.871 -0.250 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.824 -10.399 0.558 1.00 0.00 C ATOM 0 H LEU A 123 10.054 -9.891 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 123 11.628 -11.523 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.076 -10.255 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.797 -11.939 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 123 10.365 -11.818 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.435 -9.692 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.980 -10.257 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.794 -8.936 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.157 -10.212 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.430 -9.477 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.043 -11.159 0.564 1.00 0.00 H new ATOM 1469 N GLN A 124 9.516 -13.174 -4.078 1.00 0.00 N ATOM 1470 CA GLN A 124 9.206 -14.494 -4.617 1.00 0.00 C ATOM 1471 C GLN A 124 10.444 -15.137 -5.233 1.00 0.00 C ATOM 1472 O GLN A 124 10.743 -16.303 -4.975 1.00 0.00 O ATOM 1473 CB GLN A 124 8.096 -14.390 -5.665 1.00 0.00 C ATOM 1474 CG GLN A 124 6.697 -14.496 -5.083 1.00 0.00 C ATOM 1475 CD GLN A 124 5.615 -14.275 -6.122 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.833 -14.479 -7.316 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.439 -13.854 -5.671 1.00 0.00 N ATOM 0 H GLN A 124 8.959 -12.416 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 124 8.865 -15.123 -3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.191 -13.439 -6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.233 -15.178 -6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.568 -15.481 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.583 -13.763 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.302 -13.698 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.673 -13.687 -6.323 1.00 0.00 H new ATOM 1486 N HIS A 125 11.161 -14.369 -6.047 1.00 0.00 N ATOM 1487 CA HIS A 125 12.368 -14.865 -6.698 1.00 0.00 C ATOM 1488 C HIS A 125 13.463 -15.141 -5.674 1.00 0.00 C ATOM 1489 O HIS A 125 14.152 -16.159 -5.745 1.00 0.00 O ATOM 1490 CB HIS A 125 12.865 -13.855 -7.735 1.00 0.00 C ATOM 1491 CG HIS A 125 13.746 -14.459 -8.784 1.00 0.00 C ATOM 1492 ND1 HIS A 125 13.505 -14.329 -10.136 1.00 0.00 N ATOM 1493 CD2 HIS A 125 14.874 -15.201 -8.675 1.00 0.00 C ATOM 1494 CE1 HIS A 125 14.446 -14.965 -10.812 1.00 0.00 C ATOM 1495 NE2 HIS A 125 15.288 -15.501 -9.949 1.00 0.00 N ATOM 0 H HIS A 125 10.927 -13.402 -6.271 1.00 0.00 H new ATOM 0 HA HIS A 125 12.122 -15.800 -7.201 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.006 -13.390 -8.218 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.412 -13.062 -7.225 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.358 -15.501 -7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 125 14.514 -15.034 -11.888 1.00 0.00 H new ATOM 0 HE2 HIS A 125 16.113 -16.050 -10.190 1.00 0.00 H new ATOM 1504 N ALA A 126 13.619 -14.227 -4.721 1.00 0.00 N ATOM 1505 CA ALA A 126 14.630 -14.372 -3.682 1.00 0.00 C ATOM 1506 C ALA A 126 14.340 -15.581 -2.799 1.00 0.00 C ATOM 1507 O ALA A 126 15.252 -16.312 -2.412 1.00 0.00 O ATOM 1508 CB ALA A 126 14.704 -13.108 -2.839 1.00 0.00 C ATOM 0 H ALA A 126 13.058 -13.379 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 126 15.593 -14.531 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.463 -13.230 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.965 -12.262 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.737 -12.925 -2.371 1.00 0.00 H new ATOM 1514 N MET A 127 13.065 -15.786 -2.484 1.00 0.00 N ATOM 1515 CA MET A 127 12.654 -16.907 -1.646 1.00 0.00 C ATOM 1516 C MET A 127 13.093 -18.235 -2.257 1.00 0.00 C ATOM 1517 O MET A 127 13.609 -19.109 -1.561 1.00 0.00 O ATOM 1518 CB MET A 127 11.136 -16.897 -1.453 1.00 0.00 C ATOM 1519 CG MET A 127 10.702 -17.210 -0.030 1.00 0.00 C ATOM 1520 SD MET A 127 8.986 -17.754 0.068 1.00 0.00 S ATOM 1521 CE MET A 127 8.126 -16.239 -0.350 1.00 0.00 C ATOM 0 H MET A 127 12.298 -15.190 -2.797 1.00 0.00 H new ATOM 0 HA MET A 127 13.137 -16.798 -0.675 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.749 -15.918 -1.735 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.687 -17.625 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.349 -17.985 0.381 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.834 -16.323 0.590 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.112 -16.274 0.048 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.656 -15.389 0.081 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.086 -16.130 -1.434 1.00 0.00 H new ATOM 1531 N GLY A 128 12.884 -18.378 -3.561 1.00 0.00 N ATOM 1532 CA GLY A 128 13.264 -19.601 -4.242 1.00 0.00 C ATOM 1533 C GLY A 128 12.388 -19.893 -5.445 1.00 0.00 C ATOM 1534 O GLY A 128 11.935 -21.022 -5.632 1.00 0.00 O ATOM 0 H GLY A 128 12.458 -17.669 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.303 -19.526 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.205 -20.435 -3.543 1.00 0.00 H new ATOM 1538 N ILE A 129 12.149 -18.872 -6.262 1.00 0.00 N ATOM 1539 CA ILE A 129 11.321 -19.025 -7.452 1.00 0.00 C ATOM 1540 C ILE A 129 11.990 -18.397 -8.670 1.00 0.00 C ATOM 1541 O ILE A 129 12.852 -17.528 -8.539 1.00 0.00 O ATOM 1542 CB ILE A 129 9.933 -18.386 -7.258 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.316 -18.844 -5.936 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.021 -18.736 -8.424 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.036 -18.119 -5.582 1.00 0.00 C ATOM 0 H ILE A 129 12.517 -17.931 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 129 11.200 -20.096 -7.617 1.00 0.00 H new ATOM 0 HB ILE A 129 10.050 -17.303 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.115 -19.914 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.041 -18.696 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.044 -18.277 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.457 -18.364 -9.351 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.908 -19.818 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.655 -18.495 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.235 -17.051 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.294 -18.288 -6.363 1.00 0.00 H new