USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 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 46 HIS : no HD1:sc= 1.29 K(o=1.3,f=-4.7!) USER MOD Set 1.2: A 51 SER OG : rot -172:sc= 0.05 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 68:sc= 0.41 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.157 F(o=-0.72,f=-0.16) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc=-0.00416 (180deg=-0.135) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0536) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0028 F(o=-0.77,f=-0.0028) USER MOD Single : A 32 GLN : amide:sc= -8.73! C(o=-8.7!,f=-16!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.57) USER MOD Single : A 49 GLN : amide:sc= -1.52 X(o=-1.5,f=-2!) USER MOD Single : A 55 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1) USER MOD Single : A 57 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.31) USER MOD Single : A 58 ASN : amide:sc= 0.315 K(o=0.31,f=-3!) USER MOD Single : A 60 SER OG : rot 32:sc= 1.08 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.801 K(o=0.8,f=-5.9!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.426 F(o=-2.6!,f=-0.43) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc=-0.00857 X(o=-0.0086,f=-0.012) USER MOD Single : A 75 THR OG1 : rot 59:sc= 0.111 USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.0369 (180deg=-0.344) USER MOD Single : A 80 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.18) USER MOD Single : A 83 MET CE :methyl -109:sc= -0.0776 (180deg=-4.07!) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.862) USER MOD Single : A 87 MET CE :methyl 156:sc= -0.252 (180deg=-0.983) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 12.289 -12.987 3.611 1.00 0.00 N ATOM 2 CA PHE A 1 12.546 -11.551 3.836 1.00 0.00 C ATOM 3 C PHE A 1 11.249 -10.774 3.747 1.00 0.00 C ATOM 4 O PHE A 1 10.629 -10.689 2.686 1.00 0.00 O ATOM 5 CB PHE A 1 13.547 -11.013 2.809 1.00 0.00 C ATOM 6 CG PHE A 1 13.900 -9.564 3.012 1.00 0.00 C ATOM 7 CD1 PHE A 1 14.786 -9.187 4.008 1.00 0.00 C ATOM 8 CD2 PHE A 1 13.347 -8.581 2.206 1.00 0.00 C ATOM 9 CE1 PHE A 1 15.114 -7.859 4.196 1.00 0.00 C ATOM 10 CE2 PHE A 1 13.672 -7.251 2.389 1.00 0.00 C ATOM 11 CZ PHE A 1 14.557 -6.890 3.385 1.00 0.00 C ATOM 0 H1 PHE A 1 13.184 -13.514 3.674 1.00 0.00 H new ATOM 0 H2 PHE A 1 11.629 -13.339 4.333 1.00 0.00 H new ATOM 0 H3 PHE A 1 11.873 -13.122 2.667 1.00 0.00 H new ATOM 0 HA PHE A 1 12.972 -11.428 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 1 14.458 -11.610 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 1 13.132 -11.140 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 1 15.225 -9.941 4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 1 12.654 -8.858 1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 1 15.806 -7.578 4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 1 13.234 -6.495 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 1 14.813 -5.851 3.530 1.00 0.00 H new ATOM 23 N LEU A 2 10.836 -10.224 4.871 1.00 0.00 N ATOM 24 CA LEU A 2 9.660 -9.381 4.924 1.00 0.00 C ATOM 25 C LEU A 2 10.068 -7.986 5.362 1.00 0.00 C ATOM 26 O LEU A 2 11.005 -7.832 6.146 1.00 0.00 O ATOM 27 CB LEU A 2 8.603 -9.975 5.876 1.00 0.00 C ATOM 28 CG LEU A 2 9.026 -10.124 7.346 1.00 0.00 C ATOM 29 CD1 LEU A 2 8.723 -8.859 8.134 1.00 0.00 C ATOM 30 CD2 LEU A 2 8.340 -11.326 7.980 1.00 0.00 C ATOM 0 H LEU A 2 11.304 -10.348 5.769 1.00 0.00 H new ATOM 0 HA LEU A 2 9.209 -9.326 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.714 -9.346 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.316 -10.957 5.500 1.00 0.00 H new ATOM 0 HG LEU A 2 10.104 -10.286 7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.033 -8.993 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.266 -8.020 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.653 -8.656 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.652 -11.416 9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.259 -11.194 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.618 -12.231 7.439 1.00 0.00 H new ATOM 42 N LEU A 3 9.407 -6.975 4.827 1.00 0.00 N ATOM 43 CA LEU A 3 9.675 -5.610 5.235 1.00 0.00 C ATOM 44 C LEU A 3 9.072 -5.364 6.606 1.00 0.00 C ATOM 45 O LEU A 3 7.851 -5.414 6.770 1.00 0.00 O ATOM 46 CB LEU A 3 9.121 -4.610 4.214 1.00 0.00 C ATOM 47 CG LEU A 3 9.941 -4.451 2.929 1.00 0.00 C ATOM 48 CD1 LEU A 3 11.375 -4.063 3.257 1.00 0.00 C ATOM 49 CD2 LEU A 3 9.908 -5.722 2.091 1.00 0.00 C ATOM 0 H LEU A 3 8.685 -7.073 4.113 1.00 0.00 H new ATOM 0 HA LEU A 3 10.754 -5.465 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.111 -4.917 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.040 -3.635 4.695 1.00 0.00 H new ATOM 0 HG LEU A 3 9.490 -3.652 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.943 -3.954 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.381 -3.118 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.830 -4.838 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.499 -5.577 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.324 -6.549 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.878 -5.951 1.819 1.00 0.00 H new ATOM 61 N PRO A 4 9.925 -5.127 7.610 1.00 0.00 N ATOM 62 CA PRO A 4 9.489 -4.927 8.994 1.00 0.00 C ATOM 63 C PRO A 4 8.438 -3.826 9.117 1.00 0.00 C ATOM 64 O PRO A 4 8.492 -2.823 8.402 1.00 0.00 O ATOM 65 CB PRO A 4 10.777 -4.524 9.717 1.00 0.00 C ATOM 66 CG PRO A 4 11.876 -5.091 8.888 1.00 0.00 C ATOM 67 CD PRO A 4 11.390 -5.038 7.471 1.00 0.00 C ATOM 0 HA PRO A 4 9.015 -5.818 9.406 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.862 -3.440 9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.802 -4.922 10.731 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.793 -4.515 9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.102 -6.115 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.692 -4.114 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.788 -5.861 6.878 1.00 0.00 H new ATOM 75 N PRO A 5 7.457 -4.014 10.017 1.00 0.00 N ATOM 76 CA PRO A 5 6.392 -3.033 10.251 1.00 0.00 C ATOM 77 C PRO A 5 6.950 -1.650 10.569 1.00 0.00 C ATOM 78 O PRO A 5 7.749 -1.494 11.500 1.00 0.00 O ATOM 79 CB PRO A 5 5.642 -3.602 11.456 1.00 0.00 C ATOM 80 CG PRO A 5 5.912 -5.065 11.413 1.00 0.00 C ATOM 81 CD PRO A 5 7.310 -5.201 10.880 1.00 0.00 C ATOM 0 HA PRO A 5 5.761 -2.893 9.373 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.997 -3.161 12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.574 -3.394 11.392 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.825 -5.509 12.405 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.196 -5.577 10.771 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.048 -5.210 11.682 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.439 -6.126 10.318 1.00 0.00 H new ATOM 89 N SER A 6 6.550 -0.666 9.766 1.00 0.00 N ATOM 90 CA SER A 6 7.015 0.709 9.907 1.00 0.00 C ATOM 91 C SER A 6 8.533 0.783 9.776 1.00 0.00 C ATOM 92 O SER A 6 9.182 1.649 10.359 1.00 0.00 O ATOM 93 CB SER A 6 6.562 1.296 11.243 1.00 0.00 C ATOM 94 OG SER A 6 5.146 1.292 11.347 1.00 0.00 O ATOM 0 H SER A 6 5.893 -0.802 8.998 1.00 0.00 H new ATOM 0 HA SER A 6 6.574 1.301 9.105 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.992 0.719 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.934 2.316 11.341 1.00 0.00 H new ATOM 0 HG SER A 6 4.880 1.671 12.211 1.00 0.00 H new ATOM 100 N THR A 7 9.086 -0.144 9.012 1.00 0.00 N ATOM 101 CA THR A 7 10.515 -0.192 8.763 1.00 0.00 C ATOM 102 C THR A 7 10.746 -0.649 7.329 1.00 0.00 C ATOM 103 O THR A 7 11.739 -1.301 7.002 1.00 0.00 O ATOM 104 CB THR A 7 11.212 -1.159 9.743 1.00 0.00 C ATOM 105 OG1 THR A 7 10.620 -1.041 11.046 1.00 0.00 O ATOM 106 CG2 THR A 7 12.701 -0.868 9.846 1.00 0.00 C ATOM 0 H THR A 7 8.557 -0.883 8.548 1.00 0.00 H new ATOM 0 HA THR A 7 10.939 0.801 8.913 1.00 0.00 H new ATOM 0 HB THR A 7 11.082 -2.171 9.361 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.701 -1.380 11.020 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.161 -1.567 10.544 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.162 -0.979 8.865 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.849 0.151 10.203 1.00 0.00 H new ATOM 114 N ALA A 8 9.813 -0.279 6.472 1.00 0.00 N ATOM 115 CA ALA A 8 9.821 -0.726 5.093 1.00 0.00 C ATOM 116 C ALA A 8 10.707 0.158 4.228 1.00 0.00 C ATOM 117 O ALA A 8 10.249 1.135 3.642 1.00 0.00 O ATOM 118 CB ALA A 8 8.404 -0.767 4.546 1.00 0.00 C ATOM 0 H ALA A 8 9.034 0.335 6.710 1.00 0.00 H new ATOM 0 HA ALA A 8 10.237 -1.733 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.424 -1.104 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.804 -1.456 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.966 0.230 4.595 1.00 0.00 H new ATOM 124 N CYS A 9 11.983 -0.185 4.180 1.00 0.00 N ATOM 125 CA CYS A 9 12.931 0.484 3.313 1.00 0.00 C ATOM 126 C CYS A 9 13.223 -0.423 2.125 1.00 0.00 C ATOM 127 O CYS A 9 14.132 -1.253 2.157 1.00 0.00 O ATOM 128 CB CYS A 9 14.208 0.847 4.086 1.00 0.00 C ATOM 129 SG CYS A 9 15.565 1.571 3.086 1.00 0.00 S ATOM 0 H CYS A 9 12.388 -0.934 4.741 1.00 0.00 H new ATOM 0 HA CYS A 9 12.511 1.420 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.945 1.553 4.874 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.582 -0.052 4.576 1.00 0.00 H new ATOM 134 N CYS A 10 12.395 -0.297 1.101 1.00 0.00 N ATOM 135 CA CYS A 10 12.467 -1.178 -0.048 1.00 0.00 C ATOM 136 C CYS A 10 13.443 -0.651 -1.084 1.00 0.00 C ATOM 137 O CYS A 10 13.245 0.421 -1.648 1.00 0.00 O ATOM 138 CB CYS A 10 11.083 -1.327 -0.690 1.00 0.00 C ATOM 139 SG CYS A 10 9.807 -2.014 0.413 1.00 0.00 S ATOM 0 H CYS A 10 11.663 0.411 1.044 1.00 0.00 H new ATOM 0 HA CYS A 10 12.817 -2.149 0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.753 -0.350 -1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.171 -1.969 -1.567 1.00 0.00 H new ATOM 144 N THR A 11 14.493 -1.415 -1.332 1.00 0.00 N ATOM 145 CA THR A 11 15.409 -1.116 -2.415 1.00 0.00 C ATOM 146 C THR A 11 14.891 -1.729 -3.711 1.00 0.00 C ATOM 147 O THR A 11 14.978 -1.129 -4.786 1.00 0.00 O ATOM 148 CB THR A 11 16.819 -1.651 -2.110 1.00 0.00 C ATOM 149 OG1 THR A 11 16.726 -2.990 -1.599 1.00 0.00 O ATOM 150 CG2 THR A 11 17.533 -0.760 -1.101 1.00 0.00 C ATOM 0 H THR A 11 14.731 -2.249 -0.795 1.00 0.00 H new ATOM 0 HA THR A 11 15.472 -0.033 -2.523 1.00 0.00 H new ATOM 0 HB THR A 11 17.397 -1.651 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.625 -3.330 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.527 -1.160 -0.902 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.621 0.249 -1.505 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.962 -0.731 -0.173 1.00 0.00 H new ATOM 158 N GLN A 12 14.351 -2.933 -3.585 1.00 0.00 N ATOM 159 CA GLN A 12 13.715 -3.621 -4.697 1.00 0.00 C ATOM 160 C GLN A 12 12.239 -3.247 -4.791 1.00 0.00 C ATOM 161 O GLN A 12 11.663 -2.708 -3.843 1.00 0.00 O ATOM 162 CB GLN A 12 13.890 -5.147 -4.575 1.00 0.00 C ATOM 163 CG GLN A 12 13.827 -5.714 -3.153 1.00 0.00 C ATOM 164 CD GLN A 12 12.466 -5.575 -2.489 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.271 -4.494 -1.751 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 11.608 -6.446 -2.617 1.00 0.00 N flip ATOM 0 H GLN A 12 14.342 -3.458 -2.711 1.00 0.00 H new ATOM 0 HA GLN A 12 14.205 -3.301 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.118 -5.631 -5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.850 -5.420 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.099 -6.769 -3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.572 -5.209 -2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.795 -7.265 -3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.709 -6.349 -2.146 1.00 0.00 H new ATOM 175 N LEU A 13 11.636 -3.530 -5.937 1.00 0.00 N ATOM 176 CA LEU A 13 10.245 -3.188 -6.181 1.00 0.00 C ATOM 177 C LEU A 13 9.560 -4.300 -6.959 1.00 0.00 C ATOM 178 O LEU A 13 10.153 -4.892 -7.858 1.00 0.00 O ATOM 179 CB LEU A 13 10.152 -1.875 -6.964 1.00 0.00 C ATOM 180 CG LEU A 13 10.691 -0.640 -6.239 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.871 0.508 -7.213 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.757 -0.234 -5.110 1.00 0.00 C ATOM 0 H LEU A 13 12.095 -4.000 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 13 9.744 -3.065 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.696 -1.991 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.108 -1.698 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 13 11.662 -0.889 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.255 1.379 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.577 0.218 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.911 0.754 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.157 0.646 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.773 -0.003 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.671 -1.053 -4.396 1.00 0.00 H new ATOM 194 N TYR A 14 8.318 -4.587 -6.603 1.00 0.00 N ATOM 195 CA TYR A 14 7.546 -5.604 -7.300 1.00 0.00 C ATOM 196 C TYR A 14 6.913 -4.996 -8.547 1.00 0.00 C ATOM 197 O TYR A 14 6.875 -5.626 -9.600 1.00 0.00 O ATOM 198 CB TYR A 14 6.480 -6.187 -6.369 1.00 0.00 C ATOM 199 CG TYR A 14 5.625 -7.262 -7.006 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.153 -8.509 -7.320 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.285 -7.028 -7.286 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.368 -9.490 -7.899 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.497 -8.003 -7.862 1.00 0.00 C ATOM 204 CZ TYR A 14 4.039 -9.231 -8.165 1.00 0.00 C ATOM 205 OH TYR A 14 3.248 -10.200 -8.739 1.00 0.00 O ATOM 0 H TYR A 14 7.823 -4.131 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 14 8.205 -6.417 -7.606 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.970 -6.602 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.833 -5.380 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.192 -8.715 -7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.853 -6.067 -7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.793 -10.453 -8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.457 -7.803 -8.075 1.00 0.00 H new ATOM 0 HH TYR A 14 2.339 -9.853 -8.857 1.00 0.00 H new ATOM 215 N ARG A 15 6.411 -3.763 -8.387 1.00 0.00 N ATOM 216 CA ARG A 15 5.905 -2.915 -9.488 1.00 0.00 C ATOM 217 C ARG A 15 4.940 -3.638 -10.441 1.00 0.00 C ATOM 218 O ARG A 15 4.796 -3.246 -11.599 1.00 0.00 O ATOM 219 CB ARG A 15 7.075 -2.289 -10.275 1.00 0.00 C ATOM 220 CG ARG A 15 7.947 -3.285 -11.030 1.00 0.00 C ATOM 221 CD ARG A 15 9.125 -2.606 -11.707 1.00 0.00 C ATOM 222 NE ARG A 15 8.707 -1.681 -12.759 1.00 0.00 N ATOM 223 CZ ARG A 15 9.552 -0.946 -13.482 1.00 0.00 C ATOM 224 NH1 ARG A 15 10.863 -1.038 -13.281 1.00 0.00 N ATOM 225 NH2 ARG A 15 9.088 -0.127 -14.418 1.00 0.00 N ATOM 0 H ARG A 15 6.342 -3.314 -7.474 1.00 0.00 H new ATOM 0 HA ARG A 15 5.321 -2.127 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.671 -1.570 -10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.704 -1.731 -9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.313 -4.044 -10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.345 -3.800 -11.779 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.706 -2.064 -10.961 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.782 -3.364 -12.134 1.00 0.00 H new ATOM 0 HE ARG A 15 7.709 -1.593 -12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.227 -1.673 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.505 -0.473 -13.837 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.084 -0.060 -14.585 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.736 0.435 -14.971 1.00 0.00 H new ATOM 239 N LYS A 16 4.241 -4.648 -9.947 1.00 0.00 N ATOM 240 CA LYS A 16 3.282 -5.377 -10.767 1.00 0.00 C ATOM 241 C LYS A 16 1.900 -5.343 -10.123 1.00 0.00 C ATOM 242 O LYS A 16 1.786 -5.294 -8.900 1.00 0.00 O ATOM 243 CB LYS A 16 3.740 -6.824 -10.982 1.00 0.00 C ATOM 244 CG LYS A 16 5.005 -6.942 -11.815 1.00 0.00 C ATOM 245 CD LYS A 16 5.476 -8.382 -11.917 1.00 0.00 C ATOM 246 CE LYS A 16 6.724 -8.500 -12.777 1.00 0.00 C ATOM 247 NZ LYS A 16 6.452 -8.168 -14.199 1.00 0.00 N ATOM 0 H LYS A 16 4.318 -4.982 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 16 3.224 -4.891 -11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.908 -7.291 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.940 -7.381 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.821 -6.547 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.792 -6.332 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.682 -8.770 -10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.682 -8.997 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.495 -7.834 -12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.116 -9.515 -12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.271 -8.437 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.611 -8.688 -14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.283 -7.146 -14.291 1.00 0.00 H new ATOM 261 N PRO A 17 0.838 -5.344 -10.947 1.00 0.00 N ATOM 262 CA PRO A 17 -0.552 -5.287 -10.470 1.00 0.00 C ATOM 263 C PRO A 17 -0.900 -6.400 -9.483 1.00 0.00 C ATOM 264 O PRO A 17 -0.740 -7.591 -9.779 1.00 0.00 O ATOM 265 CB PRO A 17 -1.377 -5.432 -11.750 1.00 0.00 C ATOM 266 CG PRO A 17 -0.475 -4.965 -12.836 1.00 0.00 C ATOM 267 CD PRO A 17 0.907 -5.379 -12.419 1.00 0.00 C ATOM 0 HA PRO A 17 -0.742 -4.366 -9.920 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.684 -6.466 -11.908 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.286 -4.832 -11.705 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.747 -5.414 -13.791 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.539 -3.884 -12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.158 -6.374 -12.787 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.665 -4.697 -12.803 1.00 0.00 H new ATOM 275 N LEU A 18 -1.379 -6.003 -8.315 1.00 0.00 N ATOM 276 CA LEU A 18 -1.792 -6.943 -7.288 1.00 0.00 C ATOM 277 C LEU A 18 -3.288 -7.228 -7.400 1.00 0.00 C ATOM 278 O LEU A 18 -4.063 -6.367 -7.819 1.00 0.00 O ATOM 279 CB LEU A 18 -1.460 -6.391 -5.898 1.00 0.00 C ATOM 280 CG LEU A 18 0.026 -6.137 -5.632 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.237 -5.599 -4.222 1.00 0.00 C ATOM 282 CD2 LEU A 18 0.825 -7.415 -5.843 1.00 0.00 C ATOM 0 H LEU A 18 -1.492 -5.024 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.248 -7.876 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.002 -5.456 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.832 -7.090 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 18 0.380 -5.385 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.300 -5.426 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.307 -4.661 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.131 -6.325 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.880 -7.220 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.467 -8.185 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.701 -7.756 -6.871 1.00 0.00 H new ATOM 294 N SER A 19 -3.684 -8.441 -7.042 1.00 0.00 N ATOM 295 CA SER A 19 -5.081 -8.851 -7.123 1.00 0.00 C ATOM 296 C SER A 19 -5.816 -8.523 -5.827 1.00 0.00 C ATOM 297 O SER A 19 -5.210 -8.507 -4.755 1.00 0.00 O ATOM 298 CB SER A 19 -5.161 -10.351 -7.401 1.00 0.00 C ATOM 299 OG SER A 19 -4.315 -10.713 -8.483 1.00 0.00 O ATOM 0 H SER A 19 -3.055 -9.163 -6.691 1.00 0.00 H new ATOM 0 HA SER A 19 -5.558 -8.304 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.873 -10.906 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.190 -10.628 -7.631 1.00 0.00 H new ATOM 0 HG SER A 19 -4.381 -11.678 -8.642 1.00 0.00 H new ATOM 305 N ASP A 20 -7.120 -8.279 -5.927 1.00 0.00 N ATOM 306 CA ASP A 20 -7.947 -7.976 -4.757 1.00 0.00 C ATOM 307 C ASP A 20 -7.914 -9.110 -3.745 1.00 0.00 C ATOM 308 O ASP A 20 -8.063 -8.879 -2.545 1.00 0.00 O ATOM 309 CB ASP A 20 -9.396 -7.703 -5.151 1.00 0.00 C ATOM 310 CG ASP A 20 -9.594 -6.337 -5.767 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.458 -5.328 -5.046 1.00 0.00 O ATOM 312 OD2 ASP A 20 -9.916 -6.266 -6.974 1.00 0.00 O ATOM 0 H ASP A 20 -7.631 -8.285 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.526 -7.079 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.724 -8.465 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.030 -7.793 -4.269 1.00 0.00 H new ATOM 317 N LYS A 21 -7.721 -10.332 -4.236 1.00 0.00 N ATOM 318 CA LYS A 21 -7.644 -11.502 -3.365 1.00 0.00 C ATOM 319 C LYS A 21 -6.565 -11.307 -2.310 1.00 0.00 C ATOM 320 O LYS A 21 -6.789 -11.544 -1.123 1.00 0.00 O ATOM 321 CB LYS A 21 -7.316 -12.753 -4.184 1.00 0.00 C ATOM 322 CG LYS A 21 -8.298 -13.043 -5.305 1.00 0.00 C ATOM 323 CD LYS A 21 -7.831 -14.221 -6.140 1.00 0.00 C ATOM 324 CE LYS A 21 -8.781 -14.514 -7.289 1.00 0.00 C ATOM 325 NZ LYS A 21 -10.111 -14.984 -6.816 1.00 0.00 N ATOM 0 H LYS A 21 -7.615 -10.537 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.611 -11.626 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.319 -12.642 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.283 -13.613 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.282 -13.255 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.404 -12.162 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.836 -14.014 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.745 -15.104 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.909 -13.614 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.340 -15.271 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.683 -15.283 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.985 -15.787 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.596 -14.210 -6.318 1.00 0.00 H new ATOM 339 N LEU A 22 -5.384 -10.895 -2.754 1.00 0.00 N ATOM 340 CA LEU A 22 -4.297 -10.583 -1.840 1.00 0.00 C ATOM 341 C LEU A 22 -4.511 -9.220 -1.182 1.00 0.00 C ATOM 342 O LEU A 22 -4.166 -9.017 -0.021 1.00 0.00 O ATOM 343 CB LEU A 22 -2.937 -10.662 -2.558 1.00 0.00 C ATOM 344 CG LEU A 22 -2.630 -9.587 -3.608 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.049 -8.339 -2.960 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.672 -10.132 -4.656 1.00 0.00 C ATOM 0 H LEU A 22 -5.157 -10.770 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.292 -11.330 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.154 -10.627 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.868 -11.636 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.566 -9.311 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.841 -7.594 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 -7.933 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.124 -8.595 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.463 -9.359 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.742 -10.436 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.124 -10.993 -5.149 1.00 0.00 H new ATOM 358 N LEU A 23 -5.106 -8.308 -1.937 1.00 0.00 N ATOM 359 CA LEU A 23 -5.231 -6.909 -1.542 1.00 0.00 C ATOM 360 C LEU A 23 -6.085 -6.736 -0.286 1.00 0.00 C ATOM 361 O LEU A 23 -5.797 -5.887 0.553 1.00 0.00 O ATOM 362 CB LEU A 23 -5.823 -6.121 -2.713 1.00 0.00 C ATOM 363 CG LEU A 23 -5.071 -4.850 -3.120 1.00 0.00 C ATOM 364 CD1 LEU A 23 -3.576 -5.097 -3.214 1.00 0.00 C ATOM 365 CD2 LEU A 23 -5.592 -4.338 -4.456 1.00 0.00 C ATOM 0 H LEU A 23 -5.518 -8.517 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.240 -6.528 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.875 -6.781 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.847 -5.847 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.245 -4.099 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.072 -4.175 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.200 -5.426 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.381 -5.868 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.050 -3.434 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.444 -5.101 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.655 -4.112 -4.370 1.00 0.00 H new ATOM 377 N ARG A 24 -7.119 -7.558 -0.144 1.00 0.00 N ATOM 378 CA ARG A 24 -7.999 -7.491 1.025 1.00 0.00 C ATOM 379 C ARG A 24 -7.261 -7.879 2.307 1.00 0.00 C ATOM 380 O ARG A 24 -7.755 -7.662 3.410 1.00 0.00 O ATOM 381 CB ARG A 24 -9.210 -8.406 0.838 1.00 0.00 C ATOM 382 CG ARG A 24 -8.840 -9.859 0.593 1.00 0.00 C ATOM 383 CD ARG A 24 -10.055 -10.763 0.681 1.00 0.00 C ATOM 384 NE ARG A 24 -10.542 -10.899 2.053 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.831 -10.946 2.387 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.770 -10.783 1.462 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.181 -11.127 3.654 1.00 0.00 N ATOM 0 H ARG A 24 -7.371 -8.278 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.334 -6.458 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.842 -8.345 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.803 -8.044 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.382 -9.958 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.096 -10.175 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.850 -10.362 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.803 -11.748 0.287 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.852 -10.962 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.506 -10.621 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.755 -10.820 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.463 -11.230 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.168 -11.163 3.910 1.00 0.00 H new ATOM 401 N LYS A 25 -6.073 -8.440 2.149 1.00 0.00 N ATOM 402 CA LYS A 25 -5.285 -8.911 3.283 1.00 0.00 C ATOM 403 C LYS A 25 -4.254 -7.874 3.704 1.00 0.00 C ATOM 404 O LYS A 25 -3.407 -8.137 4.563 1.00 0.00 O ATOM 405 CB LYS A 25 -4.586 -10.225 2.949 1.00 0.00 C ATOM 406 CG LYS A 25 -5.531 -11.403 2.830 1.00 0.00 C ATOM 407 CD LYS A 25 -4.780 -12.682 2.511 1.00 0.00 C ATOM 408 CE LYS A 25 -4.042 -12.570 1.192 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.415 -13.855 0.784 1.00 0.00 N ATOM 0 H LYS A 25 -5.629 -8.582 1.242 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.972 -9.076 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.043 -10.110 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.847 -10.440 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.082 -11.525 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.265 -11.205 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.071 -12.899 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.480 -13.517 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.736 -12.245 0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.272 -11.803 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.922 -13.728 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.733 -14.154 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.151 -14.583 0.680 1.00 0.00 H new ATOM 423 N VAL A 26 -4.318 -6.707 3.082 1.00 0.00 N ATOM 424 CA VAL A 26 -3.470 -5.601 3.451 1.00 0.00 C ATOM 425 C VAL A 26 -3.953 -4.996 4.760 1.00 0.00 C ATOM 426 O VAL A 26 -5.138 -4.723 4.932 1.00 0.00 O ATOM 427 CB VAL A 26 -3.446 -4.536 2.335 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.968 -3.199 2.861 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.561 -5.000 1.195 1.00 0.00 C ATOM 0 H VAL A 26 -4.957 -6.508 2.313 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.453 -5.968 3.587 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.464 -4.405 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.962 -2.470 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.637 -2.858 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.959 -3.305 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.550 -4.242 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.547 -5.157 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.949 -5.935 0.790 1.00 0.00 H new ATOM 439 N ILE A 27 -3.036 -4.817 5.688 1.00 0.00 N ATOM 440 CA ILE A 27 -3.381 -4.279 6.991 1.00 0.00 C ATOM 441 C ILE A 27 -2.928 -2.833 7.119 1.00 0.00 C ATOM 442 O ILE A 27 -3.519 -2.052 7.864 1.00 0.00 O ATOM 443 CB ILE A 27 -2.782 -5.123 8.137 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.270 -5.310 7.950 1.00 0.00 C ATOM 445 CG2 ILE A 27 -3.486 -6.470 8.216 1.00 0.00 C ATOM 446 CD1 ILE A 27 -0.624 -6.166 9.020 1.00 0.00 C ATOM 0 H ILE A 27 -2.047 -5.035 5.566 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.467 -4.319 7.075 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.938 -4.591 9.076 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.087 -5.763 6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.790 -4.331 7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.057 -7.058 9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.548 -6.315 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.358 -7.003 7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.444 -6.253 8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.775 -5.704 9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.076 -7.158 9.014 1.00 0.00 H new ATOM 458 N GLN A 28 -1.882 -2.478 6.380 1.00 0.00 N ATOM 459 CA GLN A 28 -1.337 -1.129 6.426 1.00 0.00 C ATOM 460 C GLN A 28 -0.993 -0.644 5.023 1.00 0.00 C ATOM 461 O GLN A 28 -0.411 -1.382 4.227 1.00 0.00 O ATOM 462 CB GLN A 28 -0.073 -1.075 7.297 1.00 0.00 C ATOM 463 CG GLN A 28 -0.264 -1.583 8.720 1.00 0.00 C ATOM 464 CD GLN A 28 -1.244 -0.754 9.533 1.00 0.00 C ATOM 465 OE1 GLN A 28 -1.313 0.541 9.262 1.00 0.00 O flip ATOM 466 NE2 GLN A 28 -1.926 -1.277 10.413 1.00 0.00 N flip ATOM 0 H GLN A 28 -1.395 -3.108 5.742 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.098 -0.482 6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.709 -1.663 6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.282 -0.045 7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.614 -2.615 8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.701 -1.591 9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.846 -2.278 10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.572 -0.710 10.962 1.00 0.00 H new ATOM 475 N VAL A 29 -1.386 0.585 4.720 1.00 0.00 N ATOM 476 CA VAL A 29 -0.949 1.257 3.502 1.00 0.00 C ATOM 477 C VAL A 29 0.036 2.346 3.885 1.00 0.00 C ATOM 478 O VAL A 29 -0.325 3.289 4.591 1.00 0.00 O ATOM 479 CB VAL A 29 -2.121 1.893 2.721 1.00 0.00 C ATOM 480 CG1 VAL A 29 -1.624 2.534 1.431 1.00 0.00 C ATOM 481 CG2 VAL A 29 -3.201 0.868 2.420 1.00 0.00 C ATOM 0 H VAL A 29 -2.011 1.141 5.304 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.492 0.511 2.852 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.557 2.669 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.465 2.976 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.896 3.310 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.155 1.775 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.012 1.345 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.780 0.062 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.587 0.461 3.355 1.00 0.00 H new ATOM 491 N GLU A 30 1.274 2.212 3.449 1.00 0.00 N ATOM 492 CA GLU A 30 2.318 3.119 3.883 1.00 0.00 C ATOM 493 C GLU A 30 3.029 3.767 2.704 1.00 0.00 C ATOM 494 O GLU A 30 3.159 3.177 1.629 1.00 0.00 O ATOM 495 CB GLU A 30 3.311 2.361 4.764 1.00 0.00 C ATOM 496 CG GLU A 30 3.920 1.148 4.086 1.00 0.00 C ATOM 497 CD GLU A 30 4.473 0.156 5.090 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.496 0.467 5.743 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.879 -0.932 5.245 1.00 0.00 O ATOM 0 H GLU A 30 1.580 1.488 2.799 1.00 0.00 H new ATOM 0 HA GLU A 30 1.860 3.923 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.110 3.039 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.806 2.042 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.165 0.659 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.718 1.469 3.416 1.00 0.00 H new ATOM 506 N LEU A 31 3.473 4.994 2.912 1.00 0.00 N ATOM 507 CA LEU A 31 4.240 5.707 1.913 1.00 0.00 C ATOM 508 C LEU A 31 5.673 5.872 2.382 1.00 0.00 C ATOM 509 O LEU A 31 5.946 6.620 3.319 1.00 0.00 O ATOM 510 CB LEU A 31 3.624 7.080 1.620 1.00 0.00 C ATOM 511 CG LEU A 31 4.470 7.993 0.725 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.722 7.342 -0.628 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.794 9.344 0.554 1.00 0.00 C ATOM 0 H LEU A 31 3.312 5.518 3.772 1.00 0.00 H new ATOM 0 HA LEU A 31 4.225 5.124 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.653 6.932 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.444 7.590 2.566 1.00 0.00 H new ATOM 0 HG LEU A 31 5.434 8.149 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.324 8.008 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.253 6.401 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.770 7.150 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.408 9.980 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.815 9.206 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.674 9.817 1.529 1.00 0.00 H new ATOM 525 N GLN A 32 6.572 5.145 1.748 1.00 0.00 N ATOM 526 CA GLN A 32 7.987 5.298 2.002 1.00 0.00 C ATOM 527 C GLN A 32 8.449 6.612 1.392 1.00 0.00 C ATOM 528 O GLN A 32 8.176 6.885 0.224 1.00 0.00 O ATOM 529 CB GLN A 32 8.760 4.131 1.394 1.00 0.00 C ATOM 530 CG GLN A 32 10.228 4.107 1.766 1.00 0.00 C ATOM 531 CD GLN A 32 10.976 2.982 1.082 1.00 0.00 C ATOM 532 OE1 GLN A 32 11.904 2.425 1.628 1.00 0.00 O ATOM 533 NE2 GLN A 32 10.604 2.660 -0.135 1.00 0.00 N ATOM 0 H GLN A 32 6.343 4.438 1.049 1.00 0.00 H new ATOM 0 HA GLN A 32 8.172 5.305 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.299 3.197 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.671 4.175 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.684 5.060 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.325 4.001 2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.820 3.143 -0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.099 1.927 -0.642 1.00 0.00 H new ATOM 542 N GLU A 33 9.122 7.427 2.179 1.00 0.00 N ATOM 543 CA GLU A 33 9.526 8.746 1.728 1.00 0.00 C ATOM 544 C GLU A 33 10.986 8.741 1.287 1.00 0.00 C ATOM 545 O GLU A 33 11.765 7.885 1.705 1.00 0.00 O ATOM 546 CB GLU A 33 9.292 9.768 2.837 1.00 0.00 C ATOM 547 CG GLU A 33 7.842 9.812 3.301 1.00 0.00 C ATOM 548 CD GLU A 33 7.581 10.897 4.320 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.303 12.041 3.912 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.642 10.610 5.537 1.00 0.00 O ATOM 0 H GLU A 33 9.401 7.201 3.134 1.00 0.00 H new ATOM 0 HA GLU A 33 8.920 9.025 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.933 9.530 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.586 10.756 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.195 9.968 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.574 8.846 3.730 1.00 0.00 H new ATOM 557 N ALA A 34 11.350 9.714 0.456 1.00 0.00 N ATOM 558 CA ALA A 34 12.682 9.770 -0.148 1.00 0.00 C ATOM 559 C ALA A 34 13.771 10.033 0.890 1.00 0.00 C ATOM 560 O ALA A 34 14.961 9.915 0.602 1.00 0.00 O ATOM 561 CB ALA A 34 12.719 10.839 -1.226 1.00 0.00 C ATOM 0 H ALA A 34 10.736 10.482 0.183 1.00 0.00 H new ATOM 0 HA ALA A 34 12.883 8.795 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.714 10.874 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.985 10.604 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.484 11.808 -0.786 1.00 0.00 H new ATOM 567 N ASP A 35 13.355 10.403 2.083 1.00 0.00 N ATOM 568 CA ASP A 35 14.278 10.638 3.182 1.00 0.00 C ATOM 569 C ASP A 35 13.663 10.159 4.495 1.00 0.00 C ATOM 570 O ASP A 35 14.321 10.127 5.535 1.00 0.00 O ATOM 571 CB ASP A 35 14.629 12.128 3.264 1.00 0.00 C ATOM 572 CG ASP A 35 15.656 12.426 4.335 1.00 0.00 C ATOM 573 OD1 ASP A 35 16.827 12.028 4.168 1.00 0.00 O ATOM 574 OD2 ASP A 35 15.299 13.065 5.346 1.00 0.00 O ATOM 0 H ASP A 35 12.374 10.550 2.321 1.00 0.00 H new ATOM 0 HA ASP A 35 15.194 10.075 3.003 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.009 12.462 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.723 12.700 3.465 1.00 0.00 H new ATOM 579 N GLY A 36 12.396 9.770 4.428 1.00 0.00 N ATOM 580 CA GLY A 36 11.691 9.316 5.609 1.00 0.00 C ATOM 581 C GLY A 36 11.888 7.839 5.852 1.00 0.00 C ATOM 582 O GLY A 36 11.379 7.014 5.089 1.00 0.00 O ATOM 0 H GLY A 36 11.842 9.761 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.039 9.876 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.627 9.527 5.500 1.00 0.00 H new ATOM 586 N ASP A 37 12.649 7.521 6.904 1.00 0.00 N ATOM 587 CA ASP A 37 12.979 6.141 7.286 1.00 0.00 C ATOM 588 C ASP A 37 13.994 5.551 6.314 1.00 0.00 C ATOM 589 O ASP A 37 15.056 5.074 6.710 1.00 0.00 O ATOM 590 CB ASP A 37 11.722 5.259 7.346 1.00 0.00 C ATOM 591 CG ASP A 37 11.970 3.915 8.009 1.00 0.00 C ATOM 592 OD1 ASP A 37 12.688 3.074 7.433 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.426 3.690 9.110 1.00 0.00 O ATOM 0 H ASP A 37 13.059 8.221 7.522 1.00 0.00 H new ATOM 0 HA ASP A 37 13.417 6.166 8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.940 5.788 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.351 5.096 6.334 1.00 0.00 H new ATOM 598 N CYS A 38 13.664 5.617 5.041 1.00 0.00 N ATOM 599 CA CYS A 38 14.509 5.107 3.984 1.00 0.00 C ATOM 600 C CYS A 38 14.935 6.264 3.080 1.00 0.00 C ATOM 601 O CYS A 38 14.791 7.430 3.453 1.00 0.00 O ATOM 602 CB CYS A 38 13.740 4.045 3.208 1.00 0.00 C ATOM 603 SG CYS A 38 14.728 3.082 2.006 1.00 0.00 S ATOM 0 H CYS A 38 12.793 6.030 4.709 1.00 0.00 H new ATOM 0 HA CYS A 38 15.409 4.649 4.395 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.290 3.353 3.920 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.922 4.530 2.675 1.00 0.00 H new ATOM 608 N HIS A 39 15.468 5.960 1.906 1.00 0.00 N ATOM 609 CA HIS A 39 16.004 6.998 1.034 1.00 0.00 C ATOM 610 C HIS A 39 15.375 6.975 -0.361 1.00 0.00 C ATOM 611 O HIS A 39 16.008 7.385 -1.336 1.00 0.00 O ATOM 612 CB HIS A 39 17.529 6.867 0.932 1.00 0.00 C ATOM 613 CG HIS A 39 18.004 5.555 0.373 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.312 4.470 1.164 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.220 5.158 -0.905 1.00 0.00 C ATOM 616 CE1 HIS A 39 18.698 3.464 0.400 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.651 3.858 -0.858 1.00 0.00 N ATOM 0 H HIS A 39 15.541 5.012 1.536 1.00 0.00 H new ATOM 0 HA HIS A 39 15.749 7.958 1.483 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.910 7.674 0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.960 7.003 1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.079 5.755 -1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 39 19.000 2.487 0.746 1.00 0.00 H new ATOM 0 HE2 HIS A 39 18.896 3.286 -1.666 1.00 0.00 H new ATOM 626 N LEU A 40 14.135 6.514 -0.462 1.00 0.00 N ATOM 627 CA LEU A 40 13.423 6.526 -1.739 1.00 0.00 C ATOM 628 C LEU A 40 11.921 6.439 -1.510 1.00 0.00 C ATOM 629 O LEU A 40 11.476 5.935 -0.482 1.00 0.00 O ATOM 630 CB LEU A 40 13.908 5.388 -2.650 1.00 0.00 C ATOM 631 CG LEU A 40 13.660 3.964 -2.148 1.00 0.00 C ATOM 632 CD1 LEU A 40 12.368 3.404 -2.729 1.00 0.00 C ATOM 633 CD2 LEU A 40 14.841 3.072 -2.499 1.00 0.00 C ATOM 0 H LEU A 40 13.602 6.129 0.318 1.00 0.00 H new ATOM 0 HA LEU A 40 13.638 7.468 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.424 5.497 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.979 5.512 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 40 13.556 3.991 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.212 2.391 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.531 4.034 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.436 3.386 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.654 2.061 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.973 3.051 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.744 3.463 -2.031 1.00 0.00 H new ATOM 645 N GLN A 41 11.146 6.928 -2.464 1.00 0.00 N ATOM 646 CA GLN A 41 9.704 6.972 -2.314 1.00 0.00 C ATOM 647 C GLN A 41 9.059 5.738 -2.926 1.00 0.00 C ATOM 648 O GLN A 41 9.369 5.356 -4.057 1.00 0.00 O ATOM 649 CB GLN A 41 9.123 8.235 -2.957 1.00 0.00 C ATOM 650 CG GLN A 41 7.621 8.378 -2.746 1.00 0.00 C ATOM 651 CD GLN A 41 7.027 9.598 -3.424 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.507 10.047 -4.466 1.00 0.00 O ATOM 653 NE2 GLN A 41 5.971 10.137 -2.835 1.00 0.00 N ATOM 0 H GLN A 41 11.492 7.299 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 41 9.484 6.992 -1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.626 9.110 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.334 8.221 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.123 7.485 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.416 8.431 -1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.606 9.733 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.522 10.957 -3.244 1.00 0.00 H new ATOM 662 N ALA A 42 8.166 5.118 -2.167 1.00 0.00 N ATOM 663 CA ALA A 42 7.419 3.965 -2.639 1.00 0.00 C ATOM 664 C ALA A 42 6.164 3.764 -1.811 1.00 0.00 C ATOM 665 O ALA A 42 6.198 3.846 -0.586 1.00 0.00 O ATOM 666 CB ALA A 42 8.275 2.708 -2.592 1.00 0.00 C ATOM 0 H ALA A 42 7.941 5.399 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 42 7.133 4.154 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.694 1.858 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.152 2.841 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.594 2.523 -1.566 1.00 0.00 H new ATOM 672 N PHE A 43 5.057 3.516 -2.479 1.00 0.00 N ATOM 673 CA PHE A 43 3.836 3.140 -1.798 1.00 0.00 C ATOM 674 C PHE A 43 3.853 1.641 -1.555 1.00 0.00 C ATOM 675 O PHE A 43 3.643 0.846 -2.470 1.00 0.00 O ATOM 676 CB PHE A 43 2.612 3.529 -2.620 1.00 0.00 C ATOM 677 CG PHE A 43 2.294 4.993 -2.588 1.00 0.00 C ATOM 678 CD1 PHE A 43 2.866 5.865 -3.501 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.417 5.495 -1.643 1.00 0.00 C ATOM 680 CE1 PHE A 43 2.570 7.214 -3.469 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.115 6.841 -1.604 1.00 0.00 C ATOM 682 CZ PHE A 43 1.694 7.704 -2.518 1.00 0.00 C ATOM 0 H PHE A 43 4.978 3.568 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 43 3.778 3.669 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.771 3.225 -3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.749 2.973 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.550 5.486 -4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.963 4.825 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.022 7.884 -4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.428 7.220 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.462 8.758 -2.488 1.00 0.00 H new ATOM 692 N VAL A 44 4.134 1.262 -0.328 1.00 0.00 N ATOM 693 CA VAL A 44 4.317 -0.134 0.002 1.00 0.00 C ATOM 694 C VAL A 44 3.055 -0.699 0.634 1.00 0.00 C ATOM 695 O VAL A 44 2.432 -0.067 1.491 1.00 0.00 O ATOM 696 CB VAL A 44 5.533 -0.324 0.932 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.701 -1.780 1.339 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.789 0.186 0.236 1.00 0.00 C ATOM 0 H VAL A 44 4.241 1.902 0.459 1.00 0.00 H new ATOM 0 HA VAL A 44 4.513 -0.682 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 44 5.365 0.250 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.567 -1.877 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.808 -2.116 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.849 -2.392 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.649 0.052 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.946 -0.373 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.672 1.244 0.003 1.00 0.00 H new ATOM 708 N LEU A 45 2.665 -1.880 0.185 1.00 0.00 N ATOM 709 CA LEU A 45 1.448 -2.503 0.657 1.00 0.00 C ATOM 710 C LEU A 45 1.783 -3.637 1.602 1.00 0.00 C ATOM 711 O LEU A 45 2.462 -4.599 1.236 1.00 0.00 O ATOM 712 CB LEU A 45 0.607 -2.985 -0.526 1.00 0.00 C ATOM 713 CG LEU A 45 0.232 -1.875 -1.509 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.702 -2.396 -2.587 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.402 -0.707 -0.766 1.00 0.00 C ATOM 0 H LEU A 45 3.178 -2.425 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 45 0.856 -1.771 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.158 -3.760 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.305 -3.446 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 45 1.142 -1.526 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.953 -1.587 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.211 -3.199 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.613 -2.777 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.665 0.077 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.301 -1.047 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.305 -0.313 -0.036 1.00 0.00 H new ATOM 727 N HIS A 46 1.308 -3.510 2.825 1.00 0.00 N ATOM 728 CA HIS A 46 1.702 -4.422 3.884 1.00 0.00 C ATOM 729 C HIS A 46 0.567 -5.380 4.222 1.00 0.00 C ATOM 730 O HIS A 46 -0.447 -4.974 4.791 1.00 0.00 O ATOM 731 CB HIS A 46 2.103 -3.629 5.132 1.00 0.00 C ATOM 732 CG HIS A 46 3.268 -4.209 5.875 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.138 -5.140 6.884 1.00 0.00 N ATOM 734 CD2 HIS A 46 4.595 -3.979 5.749 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.334 -5.453 7.346 1.00 0.00 C ATOM 736 NE2 HIS A 46 5.237 -4.764 6.674 1.00 0.00 N ATOM 0 H HIS A 46 0.649 -2.786 3.111 1.00 0.00 H new ATOM 0 HA HIS A 46 2.555 -5.006 3.537 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.345 -2.607 4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.247 -3.573 5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.063 -3.302 5.049 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.539 -6.155 8.141 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.246 -4.808 6.818 1.00 0.00 H new ATOM 745 N LEU A 47 0.732 -6.643 3.857 1.00 0.00 N ATOM 746 CA LEU A 47 -0.238 -7.666 4.205 1.00 0.00 C ATOM 747 C LEU A 47 0.088 -8.237 5.573 1.00 0.00 C ATOM 748 O LEU A 47 1.206 -8.086 6.067 1.00 0.00 O ATOM 749 CB LEU A 47 -0.264 -8.802 3.173 1.00 0.00 C ATOM 750 CG LEU A 47 -0.890 -8.465 1.817 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.065 -7.649 0.957 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.307 -9.744 1.104 1.00 0.00 C ATOM 0 H LEU A 47 1.530 -6.982 3.320 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.222 -7.198 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.760 -9.136 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.808 -9.643 3.602 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.777 -7.855 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.408 -7.425 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.309 -6.718 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.978 -8.219 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.751 -9.495 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.432 -10.375 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.036 -10.279 1.713 1.00 0.00 H new ATOM 764 N ALA A 48 -0.883 -8.911 6.162 1.00 0.00 N ATOM 765 CA ALA A 48 -0.737 -9.496 7.491 1.00 0.00 C ATOM 766 C ALA A 48 0.428 -10.480 7.564 1.00 0.00 C ATOM 767 O ALA A 48 1.001 -10.705 8.630 1.00 0.00 O ATOM 768 CB ALA A 48 -2.020 -10.210 7.860 1.00 0.00 C ATOM 0 H ALA A 48 -1.796 -9.071 5.736 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.528 -8.687 8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.919 -10.650 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.845 -9.498 7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.221 -10.997 7.133 1.00 0.00 H new ATOM 774 N GLN A 49 0.774 -11.051 6.426 1.00 0.00 N ATOM 775 CA GLN A 49 1.725 -12.150 6.385 1.00 0.00 C ATOM 776 C GLN A 49 2.848 -11.910 5.380 1.00 0.00 C ATOM 777 O GLN A 49 3.700 -12.778 5.187 1.00 0.00 O ATOM 778 CB GLN A 49 0.988 -13.440 6.032 1.00 0.00 C ATOM 779 CG GLN A 49 -0.093 -13.239 4.985 1.00 0.00 C ATOM 780 CD GLN A 49 -1.464 -13.011 5.586 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.788 -13.537 6.650 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.269 -12.203 4.916 1.00 0.00 N ATOM 0 H GLN A 49 0.411 -10.773 5.514 1.00 0.00 H new ATOM 0 HA GLN A 49 2.184 -12.228 7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.707 -14.174 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.539 -13.854 6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.169 -12.386 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.128 -14.113 4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.959 -11.788 4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.199 -11.995 5.278 1.00 0.00 H new ATOM 791 N ARG A 50 2.868 -10.739 4.748 1.00 0.00 N ATOM 792 CA ARG A 50 3.864 -10.468 3.711 1.00 0.00 C ATOM 793 C ARG A 50 3.891 -8.987 3.359 1.00 0.00 C ATOM 794 O ARG A 50 3.039 -8.221 3.800 1.00 0.00 O ATOM 795 CB ARG A 50 3.580 -11.310 2.459 1.00 0.00 C ATOM 796 CG ARG A 50 2.265 -10.976 1.775 1.00 0.00 C ATOM 797 CD ARG A 50 1.917 -11.988 0.696 1.00 0.00 C ATOM 798 NE ARG A 50 2.964 -12.105 -0.322 1.00 0.00 N ATOM 799 CZ ARG A 50 2.731 -12.375 -1.608 1.00 0.00 C ATOM 800 NH1 ARG A 50 1.488 -12.548 -2.049 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.748 -12.479 -2.454 1.00 0.00 N ATOM 0 H ARG A 50 2.219 -9.974 4.930 1.00 0.00 H new ATOM 0 HA ARG A 50 4.844 -10.744 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.394 -11.170 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.576 -12.364 2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.467 -10.946 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.327 -9.981 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.751 -12.962 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.981 -11.698 0.218 1.00 0.00 H new ATOM 0 HE ARG A 50 3.932 -11.972 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.703 -12.475 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.320 -12.754 -3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.704 -12.353 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.574 -12.685 -3.438 1.00 0.00 H new ATOM 815 N SER A 51 4.873 -8.582 2.574 1.00 0.00 N ATOM 816 CA SER A 51 5.006 -7.185 2.192 1.00 0.00 C ATOM 817 C SER A 51 5.415 -7.063 0.735 1.00 0.00 C ATOM 818 O SER A 51 6.300 -7.779 0.266 1.00 0.00 O ATOM 819 CB SER A 51 6.032 -6.491 3.084 1.00 0.00 C ATOM 820 OG SER A 51 5.741 -6.709 4.455 1.00 0.00 O ATOM 0 H SER A 51 5.589 -9.198 2.189 1.00 0.00 H new ATOM 0 HA SER A 51 4.038 -6.700 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.030 -6.865 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.037 -5.421 2.875 1.00 0.00 H new ATOM 0 HG SER A 51 6.332 -6.155 5.007 1.00 0.00 H new ATOM 826 N ILE A 52 4.758 -6.159 0.027 1.00 0.00 N ATOM 827 CA ILE A 52 5.032 -5.933 -1.382 1.00 0.00 C ATOM 828 C ILE A 52 5.358 -4.462 -1.609 1.00 0.00 C ATOM 829 O ILE A 52 4.608 -3.583 -1.186 1.00 0.00 O ATOM 830 CB ILE A 52 3.823 -6.352 -2.246 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.513 -7.837 -2.015 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.088 -6.079 -3.721 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.249 -8.318 -2.695 1.00 0.00 C ATOM 0 H ILE A 52 4.024 -5.564 0.411 1.00 0.00 H new ATOM 0 HA ILE A 52 5.887 -6.541 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 52 2.958 -5.759 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.354 -8.432 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.427 -8.017 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.222 -6.383 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.270 -5.014 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.962 -6.644 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.102 -9.377 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.396 -7.751 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.337 -8.173 -3.772 1.00 0.00 H new ATOM 845 N CYS A 53 6.466 -4.194 -2.285 1.00 0.00 N ATOM 846 CA CYS A 53 6.940 -2.827 -2.448 1.00 0.00 C ATOM 847 C CYS A 53 6.603 -2.304 -3.838 1.00 0.00 C ATOM 848 O CYS A 53 7.003 -2.883 -4.853 1.00 0.00 O ATOM 849 CB CYS A 53 8.454 -2.760 -2.216 1.00 0.00 C ATOM 850 SG CYS A 53 9.003 -3.540 -0.661 1.00 0.00 S ATOM 0 H CYS A 53 7.052 -4.902 -2.728 1.00 0.00 H new ATOM 0 HA CYS A 53 6.439 -2.200 -1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.961 -3.243 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.765 -1.715 -2.216 1.00 0.00 H new ATOM 855 N ILE A 54 5.856 -1.213 -3.872 1.00 0.00 N ATOM 856 CA ILE A 54 5.437 -0.594 -5.118 1.00 0.00 C ATOM 857 C ILE A 54 5.910 0.855 -5.166 1.00 0.00 C ATOM 858 O ILE A 54 5.871 1.551 -4.164 1.00 0.00 O ATOM 859 CB ILE A 54 3.898 -0.655 -5.260 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.445 -2.088 -5.558 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.406 0.302 -6.331 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.946 -2.232 -5.706 1.00 0.00 C ATOM 0 H ILE A 54 5.523 -0.732 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 54 5.885 -1.141 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 54 3.458 -0.344 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.926 -2.429 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.787 -2.742 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.321 0.236 -6.407 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.690 1.321 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.854 0.037 -7.289 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.699 -3.273 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.458 -1.923 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.600 -1.604 -6.527 1.00 0.00 H new ATOM 874 N HIS A 55 6.386 1.300 -6.321 1.00 0.00 N ATOM 875 CA HIS A 55 6.820 2.686 -6.472 1.00 0.00 C ATOM 876 C HIS A 55 5.623 3.564 -6.839 1.00 0.00 C ATOM 877 O HIS A 55 4.630 3.062 -7.363 1.00 0.00 O ATOM 878 CB HIS A 55 7.918 2.803 -7.548 1.00 0.00 C ATOM 879 CG HIS A 55 7.411 2.765 -8.962 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.510 3.836 -9.821 1.00 0.00 N ATOM 881 CD2 HIS A 55 6.795 1.783 -9.661 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.970 3.522 -10.980 1.00 0.00 C ATOM 883 NE2 HIS A 55 6.530 2.281 -10.912 1.00 0.00 N ATOM 0 H HIS A 55 6.482 0.729 -7.161 1.00 0.00 H new ATOM 0 HA HIS A 55 7.238 3.026 -5.524 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.461 3.736 -7.395 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.633 1.992 -7.410 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.557 0.793 -9.301 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.899 4.171 -11.840 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.068 1.774 -11.667 1.00 0.00 H new ATOM 892 N PRO A 56 5.693 4.879 -6.570 1.00 0.00 N ATOM 893 CA PRO A 56 4.640 5.816 -6.968 1.00 0.00 C ATOM 894 C PRO A 56 4.428 5.807 -8.479 1.00 0.00 C ATOM 895 O PRO A 56 5.350 5.503 -9.233 1.00 0.00 O ATOM 896 CB PRO A 56 5.161 7.182 -6.500 1.00 0.00 C ATOM 897 CG PRO A 56 6.622 6.989 -6.270 1.00 0.00 C ATOM 898 CD PRO A 56 6.793 5.555 -5.865 1.00 0.00 C ATOM 0 HA PRO A 56 3.674 5.559 -6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.979 7.951 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.658 7.503 -5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.191 7.210 -7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.986 7.660 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.765 5.164 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.718 5.429 -4.785 1.00 0.00 H new ATOM 906 N GLN A 57 3.218 6.146 -8.903 1.00 0.00 N ATOM 907 CA GLN A 57 2.829 6.064 -10.308 1.00 0.00 C ATOM 908 C GLN A 57 2.810 4.615 -10.772 1.00 0.00 C ATOM 909 O GLN A 57 3.599 4.199 -11.624 1.00 0.00 O ATOM 910 CB GLN A 57 3.746 6.909 -11.198 1.00 0.00 C ATOM 911 CG GLN A 57 3.598 8.402 -10.968 1.00 0.00 C ATOM 912 CD GLN A 57 2.183 8.880 -11.213 1.00 0.00 C ATOM 913 OE1 GLN A 57 1.822 9.222 -12.339 1.00 0.00 O ATOM 914 NE2 GLN A 57 1.377 8.912 -10.163 1.00 0.00 N ATOM 0 H GLN A 57 2.479 6.485 -8.287 1.00 0.00 H new ATOM 0 HA GLN A 57 1.822 6.471 -10.398 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.782 6.622 -11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.532 6.687 -12.243 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.889 8.641 -9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.280 8.939 -11.627 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.720 8.619 -9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.414 9.230 -10.269 1.00 0.00 H new ATOM 923 N ASN A 58 1.910 3.848 -10.182 1.00 0.00 N ATOM 924 CA ASN A 58 1.724 2.456 -10.538 1.00 0.00 C ATOM 925 C ASN A 58 0.240 2.119 -10.508 1.00 0.00 C ATOM 926 O ASN A 58 -0.452 2.425 -9.532 1.00 0.00 O ATOM 927 CB ASN A 58 2.497 1.544 -9.584 1.00 0.00 C ATOM 928 CG ASN A 58 2.346 0.080 -9.941 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.447 -0.600 -9.455 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.214 -0.411 -10.810 1.00 0.00 N ATOM 0 H ASN A 58 1.288 4.175 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 58 2.110 2.294 -11.544 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.553 1.813 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.145 1.706 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.150 -1.387 -11.099 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.947 0.187 -11.191 1.00 0.00 H new ATOM 937 N PRO A 59 -0.268 1.493 -11.581 1.00 0.00 N ATOM 938 CA PRO A 59 -1.690 1.158 -11.727 1.00 0.00 C ATOM 939 C PRO A 59 -2.270 0.414 -10.525 1.00 0.00 C ATOM 940 O PRO A 59 -3.445 0.574 -10.202 1.00 0.00 O ATOM 941 CB PRO A 59 -1.734 0.263 -12.975 1.00 0.00 C ATOM 942 CG PRO A 59 -0.312 -0.073 -13.281 1.00 0.00 C ATOM 943 CD PRO A 59 0.501 1.072 -12.757 1.00 0.00 C ATOM 0 HA PRO A 59 -2.293 2.063 -11.806 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.318 -0.638 -12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.203 0.781 -13.812 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.021 -1.009 -12.805 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.162 -0.200 -14.353 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.512 0.764 -12.492 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.594 1.873 -13.490 1.00 0.00 H new ATOM 951 N SER A 60 -1.450 -0.386 -9.857 1.00 0.00 N ATOM 952 CA SER A 60 -1.921 -1.193 -8.741 1.00 0.00 C ATOM 953 C SER A 60 -2.246 -0.316 -7.538 1.00 0.00 C ATOM 954 O SER A 60 -3.271 -0.502 -6.886 1.00 0.00 O ATOM 955 CB SER A 60 -0.872 -2.232 -8.350 1.00 0.00 C ATOM 956 OG SER A 60 -1.458 -3.305 -7.631 1.00 0.00 O ATOM 0 H SER A 60 -0.458 -0.493 -10.068 1.00 0.00 H new ATOM 0 HA SER A 60 -2.829 -1.705 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.383 -2.615 -9.246 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.099 -1.762 -7.742 1.00 0.00 H new ATOM 0 HG SER A 60 -2.375 -3.447 -7.946 1.00 0.00 H new ATOM 962 N LEU A 61 -1.380 0.650 -7.259 1.00 0.00 N ATOM 963 CA LEU A 61 -1.537 1.497 -6.087 1.00 0.00 C ATOM 964 C LEU A 61 -2.723 2.438 -6.276 1.00 0.00 C ATOM 965 O LEU A 61 -3.515 2.640 -5.357 1.00 0.00 O ATOM 966 CB LEU A 61 -0.251 2.293 -5.831 1.00 0.00 C ATOM 967 CG LEU A 61 0.142 2.458 -4.359 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.925 3.205 -3.582 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.407 1.105 -3.718 1.00 0.00 C ATOM 0 H LEU A 61 -0.562 0.865 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.729 0.867 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.569 1.802 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.364 3.283 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 61 1.059 3.047 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.615 3.305 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.065 4.195 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.863 2.653 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.684 1.245 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.493 0.493 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.220 0.606 -4.245 1.00 0.00 H new ATOM 981 N SER A 62 -2.851 2.992 -7.476 1.00 0.00 N ATOM 982 CA SER A 62 -3.968 3.874 -7.797 1.00 0.00 C ATOM 983 C SER A 62 -5.293 3.134 -7.593 1.00 0.00 C ATOM 984 O SER A 62 -6.212 3.632 -6.926 1.00 0.00 O ATOM 985 CB SER A 62 -3.841 4.377 -9.241 1.00 0.00 C ATOM 986 OG SER A 62 -4.841 5.333 -9.553 1.00 0.00 O ATOM 0 H SER A 62 -2.195 2.846 -8.243 1.00 0.00 H new ATOM 0 HA SER A 62 -3.949 4.736 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.856 4.820 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.916 3.534 -9.928 1.00 0.00 H new ATOM 0 HG SER A 62 -4.729 5.633 -10.479 1.00 0.00 H new ATOM 992 N GLN A 63 -5.373 1.923 -8.145 1.00 0.00 N ATOM 993 CA GLN A 63 -6.549 1.086 -7.968 1.00 0.00 C ATOM 994 C GLN A 63 -6.772 0.786 -6.493 1.00 0.00 C ATOM 995 O GLN A 63 -7.905 0.745 -6.032 1.00 0.00 O ATOM 996 CB GLN A 63 -6.412 -0.228 -8.742 1.00 0.00 C ATOM 997 CG GLN A 63 -6.433 -0.064 -10.253 1.00 0.00 C ATOM 998 CD GLN A 63 -6.230 -1.382 -10.975 1.00 0.00 C ATOM 999 OE1 GLN A 63 -7.187 -2.093 -11.282 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -4.981 -1.717 -11.251 1.00 0.00 N ATOM 0 H GLN A 63 -4.638 1.505 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.407 1.634 -8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.479 -0.712 -8.453 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.222 -0.896 -8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.385 0.372 -10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.653 0.636 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.216 -1.100 -10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.783 -2.593 -11.735 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.686 0.596 -5.751 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.791 0.246 -4.341 1.00 0.00 C ATOM 1011 C TRP A 64 -6.332 1.409 -3.521 1.00 0.00 C ATOM 1012 O TRP A 64 -6.970 1.189 -2.508 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.449 -0.253 -3.777 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.530 -0.789 -2.365 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.620 -0.587 -1.360 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.570 -1.610 -1.793 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.023 -1.230 -0.219 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.212 -1.860 -0.454 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.768 -2.161 -2.271 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -5.998 -2.625 0.398 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.544 -2.920 -1.421 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.158 -3.144 -0.102 1.00 0.00 C ATOM 0 H TRP A 64 -4.731 0.678 -6.100 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.503 -0.576 -4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.062 -1.036 -4.429 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.730 0.566 -3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.715 -0.005 -1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.515 -1.237 0.666 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.079 -1.993 -3.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.702 -2.803 1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.467 -3.348 -1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.789 -3.741 0.539 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.101 2.641 -3.953 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.717 3.782 -3.281 1.00 0.00 C ATOM 1035 C PHE A 65 -8.236 3.683 -3.368 1.00 0.00 C ATOM 1036 O PHE A 65 -8.936 3.765 -2.352 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.234 5.111 -3.866 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.013 5.649 -3.180 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -5.120 6.266 -1.943 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -3.766 5.544 -3.768 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -4.003 6.768 -1.305 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.647 6.048 -3.137 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.764 6.660 -1.904 1.00 0.00 C ATOM 0 H PHE A 65 -5.506 2.876 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.416 3.756 -2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.018 4.977 -4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.036 5.845 -3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.088 6.355 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.667 5.063 -4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.098 7.244 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.679 5.964 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.888 7.053 -1.410 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.738 3.473 -4.579 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.172 3.292 -4.788 1.00 0.00 C ATOM 1055 C GLU A 66 -10.662 2.020 -4.092 1.00 0.00 C ATOM 1056 O GLU A 66 -11.683 2.020 -3.394 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.480 3.218 -6.287 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.122 4.482 -7.048 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.438 4.385 -8.525 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -11.633 4.309 -8.878 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -9.495 4.408 -9.345 1.00 0.00 O ATOM 0 H GLU A 66 -8.177 3.424 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.693 4.147 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.936 2.378 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.542 3.013 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.664 5.325 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.059 4.689 -6.921 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.909 0.942 -4.272 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.301 -0.361 -3.757 1.00 0.00 C ATOM 1070 C HIS A 67 -10.249 -0.412 -2.235 1.00 0.00 C ATOM 1071 O HIS A 67 -11.143 -0.970 -1.626 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.437 -1.477 -4.356 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.766 -1.807 -5.784 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.697 -3.084 -6.294 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.163 -1.019 -6.812 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.031 -3.067 -7.569 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.319 -1.828 -7.907 1.00 0.00 N ATOM 0 H HIS A 67 -9.020 0.946 -4.773 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.336 -0.521 -4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.389 -1.183 -4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.552 -2.376 -3.751 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.429 -3.915 -5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.326 0.048 -6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.063 -3.924 -8.225 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.227 0.182 -1.618 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.087 0.133 -0.158 1.00 0.00 C ATOM 1088 C GLN A 68 -10.247 0.858 0.506 1.00 0.00 C ATOM 1089 O GLN A 68 -10.702 0.477 1.585 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.753 0.740 0.299 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.732 2.265 0.303 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.354 2.845 0.554 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.323 2.158 0.084 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -6.216 3.916 1.144 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.490 0.698 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.099 -0.914 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.528 0.382 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.959 0.378 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.103 2.629 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.417 2.629 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.034 4.416 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.283 4.304 1.285 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.732 1.892 -0.164 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.889 2.633 0.308 1.00 0.00 C ATOM 1105 C GLU A 69 -13.102 1.708 0.382 1.00 0.00 C ATOM 1106 O GLU A 69 -13.960 1.848 1.255 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.148 3.822 -0.625 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.404 4.620 -0.311 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.379 5.261 1.061 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -12.646 6.251 1.252 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.100 4.777 1.959 1.00 0.00 O ATOM 0 H GLU A 69 -10.340 2.237 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.700 3.018 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.289 4.492 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.215 3.454 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.531 5.397 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.271 3.963 -0.382 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.153 0.743 -0.527 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.253 -0.214 -0.563 1.00 0.00 C ATOM 1120 C ARG A 70 -13.776 -1.647 -0.259 1.00 0.00 C ATOM 1121 O ARG A 70 -14.359 -2.617 -0.747 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.936 -0.151 -1.930 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.018 -0.486 -3.090 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.708 -0.269 -4.422 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.924 -1.069 -4.554 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.778 -0.960 -5.570 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -16.546 -0.092 -6.547 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.862 -1.721 -5.609 1.00 0.00 N ATOM 0 H ARG A 70 -12.446 0.602 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.968 0.056 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.780 -0.841 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.341 0.850 -2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.122 0.133 -3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.694 -1.524 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.957 0.787 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.021 -0.521 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.131 -1.751 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.712 0.494 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.202 -0.011 -7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -18.042 -2.390 -4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.516 -1.637 -6.387 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.730 -1.781 0.556 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.170 -3.099 0.877 1.00 0.00 C ATOM 1144 C LYS A 71 -11.745 -3.140 2.350 1.00 0.00 C ATOM 1145 O LYS A 71 -12.246 -2.354 3.154 1.00 0.00 O ATOM 1146 CB LYS A 71 -10.971 -3.396 -0.042 1.00 0.00 C ATOM 1147 CG LYS A 71 -10.722 -4.878 -0.324 1.00 0.00 C ATOM 1148 CD LYS A 71 -11.753 -5.466 -1.278 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.692 -4.817 -2.657 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.664 -5.426 -3.605 1.00 0.00 N ATOM 0 H LYS A 71 -12.253 -0.999 1.005 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.930 -3.863 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.124 -2.882 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.074 -2.972 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.726 -5.002 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.741 -5.432 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.587 -6.539 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.751 -5.334 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.896 -3.750 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.684 -4.915 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.589 -4.955 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.454 -6.439 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.629 -5.310 -3.235 1.00 0.00 H new ATOM 1164 N LEU A 72 -10.793 -4.024 2.678 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.357 -4.282 4.048 1.00 0.00 C ATOM 1166 C LEU A 72 -11.508 -4.610 4.997 1.00 0.00 C ATOM 1167 O LEU A 72 -11.831 -5.779 5.218 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.543 -3.112 4.611 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.302 -2.739 3.807 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -7.585 -3.977 3.303 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.668 -1.825 2.661 1.00 0.00 C ATOM 0 H LEU A 72 -10.299 -4.586 1.985 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.722 -5.166 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.191 -2.238 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.237 -3.359 5.628 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.619 -2.205 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.704 -3.681 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.279 -4.591 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.255 -4.550 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.770 -1.569 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.376 -2.331 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.122 -0.915 3.052 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.142 -3.559 5.502 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.049 -3.630 6.645 1.00 0.00 C ATOM 1185 C HIS A 73 -13.170 -2.230 7.228 1.00 0.00 C ATOM 1186 O HIS A 73 -14.098 -1.918 7.975 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.498 -4.579 7.724 1.00 0.00 C ATOM 1188 CG HIS A 73 -13.380 -4.730 8.930 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -13.190 -4.011 10.093 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -14.458 -5.518 9.152 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -14.106 -4.353 10.975 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -14.887 -5.262 10.431 1.00 0.00 N ATOM 0 H HIS A 73 -12.040 -2.617 5.124 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.018 -4.009 6.320 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.341 -5.562 7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.522 -4.215 8.046 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.898 -6.216 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.200 -3.955 11.975 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.684 -5.706 10.887 1.00 0.00 H new ATOM 1201 N GLY A 74 -12.210 -1.392 6.861 1.00 0.00 N ATOM 1202 CA GLY A 74 -12.089 -0.078 7.452 1.00 0.00 C ATOM 1203 C GLY A 74 -10.779 0.052 8.199 1.00 0.00 C ATOM 1204 O GLY A 74 -10.419 1.131 8.670 1.00 0.00 O ATOM 0 H GLY A 74 -11.505 -1.605 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.147 0.683 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.921 0.098 8.133 1.00 0.00 H new ATOM 1208 N THR A 75 -10.068 -1.071 8.299 1.00 0.00 N ATOM 1209 CA THR A 75 -8.794 -1.130 8.994 1.00 0.00 C ATOM 1210 C THR A 75 -7.707 -0.405 8.213 1.00 0.00 C ATOM 1211 O THR A 75 -7.106 -0.967 7.297 1.00 0.00 O ATOM 1212 CB THR A 75 -8.372 -2.594 9.241 1.00 0.00 C ATOM 1213 OG1 THR A 75 -8.546 -3.362 8.041 1.00 0.00 O ATOM 1214 CG2 THR A 75 -9.189 -3.213 10.367 1.00 0.00 C ATOM 0 H THR A 75 -10.364 -1.962 7.899 1.00 0.00 H new ATOM 0 HA THR A 75 -8.922 -0.631 9.955 1.00 0.00 H new ATOM 0 HB THR A 75 -7.321 -2.602 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.008 -2.971 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.873 -4.245 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.034 -2.645 11.284 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.246 -3.194 10.103 1.00 0.00 H new ATOM 1222 N LEU A 76 -7.479 0.848 8.582 1.00 0.00 N ATOM 1223 CA LEU A 76 -6.511 1.701 7.927 1.00 0.00 C ATOM 1224 C LEU A 76 -6.090 2.806 8.876 1.00 0.00 C ATOM 1225 O LEU A 76 -6.836 3.171 9.788 1.00 0.00 O ATOM 1226 CB LEU A 76 -7.089 2.319 6.648 1.00 0.00 C ATOM 1227 CG LEU A 76 -7.120 1.396 5.432 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -7.777 2.088 4.247 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -5.709 0.951 5.079 1.00 0.00 C ATOM 0 H LEU A 76 -7.969 1.301 9.354 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.649 1.093 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.105 2.655 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.505 3.204 6.396 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.713 0.515 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.788 1.412 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.800 2.362 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.214 2.986 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.742 0.293 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.099 1.825 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.274 0.416 5.923 1.00 0.00 H new ATOM 1241 N PRO A 77 -4.893 3.354 8.674 1.00 0.00 N ATOM 1242 CA PRO A 77 -4.381 4.443 9.496 1.00 0.00 C ATOM 1243 C PRO A 77 -5.014 5.777 9.118 1.00 0.00 C ATOM 1244 O PRO A 77 -5.839 5.841 8.205 1.00 0.00 O ATOM 1245 CB PRO A 77 -2.895 4.426 9.165 1.00 0.00 C ATOM 1246 CG PRO A 77 -2.842 3.975 7.750 1.00 0.00 C ATOM 1247 CD PRO A 77 -3.938 2.957 7.622 1.00 0.00 C ATOM 0 HA PRO A 77 -4.597 4.323 10.558 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.449 5.413 9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.349 3.747 9.820 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.996 4.808 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.871 3.541 7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.396 2.981 6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.567 1.944 7.777 1.00 0.00 H new ATOM 1255 N LYS A 78 -4.640 6.833 9.828 1.00 0.00 N ATOM 1256 CA LYS A 78 -5.119 8.172 9.520 1.00 0.00 C ATOM 1257 C LYS A 78 -4.474 8.670 8.232 1.00 0.00 C ATOM 1258 O LYS A 78 -3.424 9.314 8.253 1.00 0.00 O ATOM 1259 CB LYS A 78 -4.806 9.122 10.677 1.00 0.00 C ATOM 1260 CG LYS A 78 -5.388 10.519 10.512 1.00 0.00 C ATOM 1261 CD LYS A 78 -5.103 11.374 11.735 1.00 0.00 C ATOM 1262 CE LYS A 78 -5.512 12.824 11.527 1.00 0.00 C ATOM 1263 NZ LYS A 78 -4.755 13.464 10.418 1.00 0.00 N ATOM 0 H LYS A 78 -4.004 6.787 10.624 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.200 8.141 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.187 8.689 11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.724 9.202 10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.964 10.992 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.464 10.452 10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.637 10.967 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.039 11.328 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.580 12.872 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.347 13.383 12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.842 14.498 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.752 13.195 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.141 13.147 9.506 1.00 0.00 H new ATOM 1277 N LEU A 79 -5.085 8.333 7.109 1.00 0.00 N ATOM 1278 CA LEU A 79 -4.540 8.691 5.816 1.00 0.00 C ATOM 1279 C LEU A 79 -4.999 10.072 5.395 1.00 0.00 C ATOM 1280 O LEU A 79 -6.160 10.278 5.047 1.00 0.00 O ATOM 1281 CB LEU A 79 -4.933 7.670 4.747 1.00 0.00 C ATOM 1282 CG LEU A 79 -4.389 6.257 4.968 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -4.870 5.325 3.870 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -2.869 6.279 5.018 1.00 0.00 C ATOM 0 H LEU A 79 -5.960 7.811 7.069 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.454 8.695 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.021 7.620 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.585 8.029 3.778 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.763 5.886 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.474 4.324 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.959 5.290 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.523 5.691 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.495 5.267 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.480 6.667 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.541 6.919 5.837 1.00 0.00 H new ATOM 1296 N ASN A 80 -4.082 11.018 5.445 1.00 0.00 N ATOM 1297 CA ASN A 80 -4.329 12.358 4.920 1.00 0.00 C ATOM 1298 C ASN A 80 -4.091 12.396 3.415 1.00 0.00 C ATOM 1299 O ASN A 80 -3.855 13.453 2.831 1.00 0.00 O ATOM 1300 CB ASN A 80 -3.426 13.383 5.605 1.00 0.00 C ATOM 1301 CG ASN A 80 -1.958 13.005 5.522 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -1.394 12.451 6.464 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -1.342 13.261 4.376 1.00 0.00 N ATOM 0 H ASN A 80 -3.153 10.888 5.845 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.370 12.610 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.574 14.360 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.716 13.477 6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.365 12.996 4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.845 13.723 3.618 1.00 0.00 H new ATOM 1310 N PHE A 81 -4.185 11.240 2.795 1.00 0.00 N ATOM 1311 CA PHE A 81 -3.892 11.098 1.379 1.00 0.00 C ATOM 1312 C PHE A 81 -5.164 11.237 0.553 1.00 0.00 C ATOM 1313 O PHE A 81 -5.397 10.475 -0.385 1.00 0.00 O ATOM 1314 CB PHE A 81 -3.225 9.747 1.111 1.00 0.00 C ATOM 1315 CG PHE A 81 -1.900 9.583 1.808 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -1.834 9.060 3.090 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -0.722 9.959 1.183 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -0.619 8.915 3.732 1.00 0.00 C ATOM 1319 CE2 PHE A 81 0.494 9.815 1.821 1.00 0.00 C ATOM 1320 CZ PHE A 81 0.546 9.292 3.097 1.00 0.00 C ATOM 0 H PHE A 81 -4.465 10.373 3.253 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.205 11.891 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.896 8.950 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.079 9.629 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.742 8.763 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.755 10.370 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.582 8.506 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.404 10.112 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.496 9.178 3.597 1.00 0.00 H new ATOM 1330 N GLY A 82 -5.968 12.235 0.897 1.00 0.00 N ATOM 1331 CA GLY A 82 -7.207 12.472 0.186 1.00 0.00 C ATOM 1332 C GLY A 82 -6.963 12.980 -1.217 1.00 0.00 C ATOM 1333 O GLY A 82 -7.700 12.646 -2.142 1.00 0.00 O ATOM 0 H GLY A 82 -5.782 12.887 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.783 11.548 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.808 13.197 0.735 1.00 0.00 H new ATOM 1337 N MET A 83 -5.902 13.763 -1.378 1.00 0.00 N ATOM 1338 CA MET A 83 -5.556 14.340 -2.672 1.00 0.00 C ATOM 1339 C MET A 83 -5.327 13.244 -3.707 1.00 0.00 C ATOM 1340 O MET A 83 -5.673 13.379 -4.880 1.00 0.00 O ATOM 1341 CB MET A 83 -4.302 15.223 -2.552 1.00 0.00 C ATOM 1342 CG MET A 83 -2.989 14.456 -2.400 1.00 0.00 C ATOM 1343 SD MET A 83 -2.926 13.439 -0.908 1.00 0.00 S ATOM 1344 CE MET A 83 -1.373 12.578 -1.146 1.00 0.00 C ATOM 0 H MET A 83 -5.263 14.014 -0.624 1.00 0.00 H new ATOM 0 HA MET A 83 -6.391 14.959 -3.000 1.00 0.00 H new ATOM 0 HB2 MET A 83 -4.236 15.857 -3.436 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.421 15.884 -1.694 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.845 13.819 -3.272 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.161 15.165 -2.383 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.569 11.530 -1.371 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.829 13.031 -1.975 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.775 12.649 -0.238 1.00 0.00 H new ATOM 1354 N LEU A 84 -4.790 12.139 -3.238 1.00 0.00 N ATOM 1355 CA LEU A 84 -4.416 11.031 -4.097 1.00 0.00 C ATOM 1356 C LEU A 84 -5.568 10.027 -4.204 1.00 0.00 C ATOM 1357 O LEU A 84 -5.408 8.916 -4.703 1.00 0.00 O ATOM 1358 CB LEU A 84 -3.130 10.397 -3.544 1.00 0.00 C ATOM 1359 CG LEU A 84 -2.542 9.220 -4.332 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -2.588 9.468 -5.829 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -1.108 8.971 -3.898 1.00 0.00 C ATOM 0 H LEU A 84 -4.599 11.981 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.217 11.381 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.369 11.175 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.329 10.059 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.150 8.341 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.163 8.612 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.622 9.608 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.012 10.362 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.697 8.134 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.511 9.863 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.085 8.737 -2.834 1.00 0.00 H new ATOM 1373 N ARG A 85 -6.745 10.438 -3.764 1.00 0.00 N ATOM 1374 CA ARG A 85 -7.923 9.601 -3.890 1.00 0.00 C ATOM 1375 C ARG A 85 -8.793 10.068 -5.051 1.00 0.00 C ATOM 1376 O ARG A 85 -9.990 10.330 -4.901 1.00 0.00 O ATOM 1377 CB ARG A 85 -8.703 9.559 -2.576 1.00 0.00 C ATOM 1378 CG ARG A 85 -7.948 8.825 -1.477 1.00 0.00 C ATOM 1379 CD ARG A 85 -8.777 8.663 -0.216 1.00 0.00 C ATOM 1380 NE ARG A 85 -8.098 7.816 0.767 1.00 0.00 N ATOM 1381 CZ ARG A 85 -8.708 7.241 1.807 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -10.004 7.429 2.007 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -8.017 6.466 2.637 1.00 0.00 N ATOM 0 H ARG A 85 -6.909 11.341 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.603 8.582 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.915 10.577 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.663 9.071 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.648 7.842 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.034 9.370 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.973 9.643 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.744 8.227 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.098 7.655 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.539 8.014 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.467 6.988 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.021 6.311 2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.483 6.027 3.431 1.00 0.00 H new ATOM 1397 N LYS A 86 -8.143 10.182 -6.207 1.00 0.00 N ATOM 1398 CA LYS A 86 -8.797 10.468 -7.487 1.00 0.00 C ATOM 1399 C LYS A 86 -9.480 11.836 -7.509 1.00 0.00 C ATOM 1400 O LYS A 86 -10.362 12.076 -8.332 1.00 0.00 O ATOM 1401 CB LYS A 86 -9.822 9.371 -7.824 1.00 0.00 C ATOM 1402 CG LYS A 86 -9.288 7.952 -7.667 1.00 0.00 C ATOM 1403 CD LYS A 86 -8.049 7.696 -8.516 1.00 0.00 C ATOM 1404 CE LYS A 86 -8.341 7.789 -10.005 1.00 0.00 C ATOM 1405 NZ LYS A 86 -9.364 6.802 -10.448 1.00 0.00 N ATOM 0 H LYS A 86 -7.131 10.077 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.011 10.484 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.694 9.493 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.161 9.509 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.050 7.771 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.067 7.242 -7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.276 8.418 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.652 6.707 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.685 8.796 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.419 7.627 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.393 6.775 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.117 5.859 -10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.297 7.081 -10.082 1.00 0.00 H new ATOM 1419 N MET A 87 -9.071 12.741 -6.628 1.00 0.00 N ATOM 1420 CA MET A 87 -9.664 14.074 -6.605 1.00 0.00 C ATOM 1421 C MET A 87 -8.638 15.145 -6.960 1.00 0.00 C ATOM 1422 O MET A 87 -8.999 16.270 -7.305 1.00 0.00 O ATOM 1423 CB MET A 87 -10.301 14.370 -5.242 1.00 0.00 C ATOM 1424 CG MET A 87 -9.306 14.544 -4.107 1.00 0.00 C ATOM 1425 SD MET A 87 -10.119 14.775 -2.511 1.00 0.00 S ATOM 1426 CE MET A 87 -10.976 13.209 -2.343 1.00 0.00 C ATOM 0 H MET A 87 -8.344 12.582 -5.931 1.00 0.00 H new ATOM 0 HA MET A 87 -10.448 14.096 -7.362 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.901 15.276 -5.325 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.983 13.558 -4.990 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.657 13.669 -4.058 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.668 15.403 -4.315 1.00 0.00 H new ATOM 0 HE1 MET A 87 -11.162 13.007 -1.288 1.00 0.00 H new ATOM 0 HE2 MET A 87 -11.926 13.255 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 87 -10.363 12.412 -2.763 1.00 0.00 H new ATOM 1436 N GLY A 88 -7.361 14.797 -6.881 1.00 0.00 N ATOM 1437 CA GLY A 88 -6.322 15.745 -7.225 1.00 0.00 C ATOM 1438 C GLY A 88 -5.871 16.556 -6.030 1.00 0.00 C ATOM 1439 O GLY A 88 -6.555 17.543 -5.687 1.00 0.00 O ATOM 1440 OXT GLY A 88 -4.824 16.226 -5.437 1.00 0.00 O ATOM 0 H GLY A 88 -7.028 13.879 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.469 15.211 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.688 16.417 -8.001 1.00 0.00 H new TER 1444 GLY A 88