USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 991 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 25 HIS : no HE2:sc= -2.03 X(o=-0.85,f=-1.3!) USER MOD Set 1.2: A 114 SER OG : rot 85:sc= 1.18 USER MOD Set 2.1: A 87 ASN : amide:sc= -1.68! C(o=-3.6!,f=-5.8!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -122:sc= -1.91 (180deg=-2.43!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0778 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -164:sc= -0.566 (180deg=-1.25!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0271 K(o=-0.027,f=-1.5) USER MOD Single : A 36 THR OG1 : rot -179:sc= 1.37 USER MOD Single : A 38 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.35) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 48 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.0054) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 41:sc= 0.911 USER MOD Single : A 54 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-1.5!) USER MOD Single : A 56 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.7) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.723 X(o=-0.72,f=-0.71) USER MOD Single : A 61 TYR OH : rot -37:sc= 0.031 USER MOD Single : A 63 CYS SG : rot -125:sc= 0.601 USER MOD Single : A 64 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.75) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 71 CYS SG : rot 14:sc= -2.76! USER MOD Single : A 73 THR OG1 : rot -160:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -3.62! C(o=-3.6!,f=-8.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 95 THR OG1 : rot 87:sc= 1.18 USER MOD Single : A 96 THR OG1 : rot 85:sc= 0.736 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0337 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.67) USER MOD Single : A 103 THR OG1 : rot 60:sc= 0.694 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -173:sc= -0.0258 (180deg=-0.115) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.928 F(o=-1.5,f=-0.93) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.595 F(o=-1.3,f=-0.6) USER MOD Single : A 122 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0664) USER MOD Single : A 123 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.064) USER MOD Single : A 124 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 125 SER OG : rot -63:sc= 0.122 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.300 23.864 15.844 1.00 0.00 N ATOM 2 CA GLY A 1 4.136 24.102 14.422 1.00 0.00 C ATOM 3 C GLY A 1 2.814 24.767 14.093 1.00 0.00 C ATOM 4 O GLY A 1 1.929 24.858 14.944 1.00 0.00 O ATOM 0 H1 GLY A 1 5.101 24.424 16.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.433 24.143 16.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.484 22.854 16.008 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.953 24.729 14.065 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.205 23.154 13.888 1.00 0.00 H new ATOM 8 N SER A 2 2.680 25.236 12.857 1.00 0.00 N ATOM 9 CA SER A 2 1.459 25.901 12.420 1.00 0.00 C ATOM 10 C SER A 2 0.429 24.885 11.935 1.00 0.00 C ATOM 11 O SER A 2 -0.755 24.983 12.256 1.00 0.00 O ATOM 12 CB SER A 2 1.769 26.901 11.305 1.00 0.00 C ATOM 13 OG SER A 2 0.762 27.895 11.216 1.00 0.00 O ATOM 0 H SER A 2 3.403 25.168 12.140 1.00 0.00 H new ATOM 0 HA SER A 2 1.042 26.436 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.734 27.372 11.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.851 26.376 10.353 1.00 0.00 H new ATOM 0 HG SER A 2 0.985 28.523 10.497 1.00 0.00 H new ATOM 19 N SER A 3 0.891 23.908 11.161 1.00 0.00 N ATOM 20 CA SER A 3 0.011 22.875 10.628 1.00 0.00 C ATOM 21 C SER A 3 -1.095 22.537 11.623 1.00 0.00 C ATOM 22 O SER A 3 -0.828 22.080 12.734 1.00 0.00 O ATOM 23 CB SER A 3 0.813 21.616 10.292 1.00 0.00 C ATOM 24 OG SER A 3 0.043 20.712 9.519 1.00 0.00 O ATOM 0 H SER A 3 1.869 23.810 10.889 1.00 0.00 H new ATOM 0 HA SER A 3 -0.449 23.258 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.715 21.891 9.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.135 21.129 11.213 1.00 0.00 H new ATOM 0 HG SER A 3 0.578 19.917 9.316 1.00 0.00 H new ATOM 30 N GLY A 4 -2.340 22.765 11.215 1.00 0.00 N ATOM 31 CA GLY A 4 -3.468 22.479 12.082 1.00 0.00 C ATOM 32 C GLY A 4 -4.643 21.887 11.328 1.00 0.00 C ATOM 33 O GLY A 4 -5.716 22.486 11.268 1.00 0.00 O ATOM 0 H GLY A 4 -2.587 23.142 10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.155 21.786 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.784 23.397 12.578 1.00 0.00 H new ATOM 37 N SER A 5 -4.439 20.708 10.751 1.00 0.00 N ATOM 38 CA SER A 5 -5.488 20.036 9.992 1.00 0.00 C ATOM 39 C SER A 5 -5.189 18.547 9.852 1.00 0.00 C ATOM 40 O SER A 5 -4.098 18.087 10.189 1.00 0.00 O ATOM 41 CB SER A 5 -5.632 20.672 8.608 1.00 0.00 C ATOM 42 OG SER A 5 -4.409 20.622 7.894 1.00 0.00 O ATOM 0 H SER A 5 -3.557 20.198 10.794 1.00 0.00 H new ATOM 0 HA SER A 5 -6.426 20.150 10.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.407 20.153 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.954 21.708 8.712 1.00 0.00 H new ATOM 0 HG SER A 5 -4.528 21.033 7.012 1.00 0.00 H new ATOM 48 N SER A 6 -6.167 17.798 9.352 1.00 0.00 N ATOM 49 CA SER A 6 -6.011 16.360 9.170 1.00 0.00 C ATOM 50 C SER A 6 -4.578 16.014 8.776 1.00 0.00 C ATOM 51 O SER A 6 -3.922 16.764 8.054 1.00 0.00 O ATOM 52 CB SER A 6 -6.982 15.851 8.102 1.00 0.00 C ATOM 53 OG SER A 6 -8.325 15.965 8.539 1.00 0.00 O ATOM 0 H SER A 6 -7.075 18.163 9.066 1.00 0.00 H new ATOM 0 HA SER A 6 -6.237 15.873 10.119 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.846 16.419 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.759 14.810 7.870 1.00 0.00 H new ATOM 0 HG SER A 6 -8.926 15.635 7.839 1.00 0.00 H new ATOM 59 N GLY A 7 -4.098 14.871 9.258 1.00 0.00 N ATOM 60 CA GLY A 7 -2.746 14.445 8.947 1.00 0.00 C ATOM 61 C GLY A 7 -2.379 13.140 9.626 1.00 0.00 C ATOM 62 O GLY A 7 -3.254 12.389 10.055 1.00 0.00 O ATOM 0 H GLY A 7 -4.621 14.233 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.643 14.331 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.044 15.221 9.254 1.00 0.00 H new ATOM 66 N MET A 8 -1.082 12.869 9.722 1.00 0.00 N ATOM 67 CA MET A 8 -0.601 11.646 10.353 1.00 0.00 C ATOM 68 C MET A 8 -1.587 10.501 10.140 1.00 0.00 C ATOM 69 O MET A 8 -2.009 9.847 11.093 1.00 0.00 O ATOM 70 CB MET A 8 -0.380 11.872 11.850 1.00 0.00 C ATOM 71 CG MET A 8 -1.299 12.924 12.448 1.00 0.00 C ATOM 72 SD MET A 8 -0.804 14.604 12.018 1.00 0.00 S ATOM 73 CE MET A 8 0.848 14.657 12.709 1.00 0.00 C ATOM 0 H MET A 8 -0.345 13.480 9.371 1.00 0.00 H new ATOM 0 HA MET A 8 0.348 11.376 9.890 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.529 10.930 12.377 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.655 12.170 12.015 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.318 12.750 12.102 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.308 12.818 13.533 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.179 15.693 12.782 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.842 14.207 13.702 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.530 14.103 12.064 1.00 0.00 H new ATOM 83 N ALA A 9 -1.949 10.265 8.883 1.00 0.00 N ATOM 84 CA ALA A 9 -2.883 9.198 8.545 1.00 0.00 C ATOM 85 C ALA A 9 -2.720 8.765 7.093 1.00 0.00 C ATOM 86 O ALA A 9 -2.721 9.595 6.184 1.00 0.00 O ATOM 87 CB ALA A 9 -4.314 9.646 8.807 1.00 0.00 C ATOM 0 H ALA A 9 -1.610 10.798 8.082 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.661 8.340 9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.001 8.839 8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.429 9.899 9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.539 10.521 8.198 1.00 0.00 H new ATOM 93 N ILE A 10 -2.581 7.460 6.881 1.00 0.00 N ATOM 94 CA ILE A 10 -2.417 6.918 5.538 1.00 0.00 C ATOM 95 C ILE A 10 -3.562 7.348 4.628 1.00 0.00 C ATOM 96 O ILE A 10 -4.721 7.383 5.045 1.00 0.00 O ATOM 97 CB ILE A 10 -2.341 5.380 5.558 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.234 4.914 6.505 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.106 4.843 4.154 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.511 3.571 7.144 1.00 0.00 C ATOM 0 H ILE A 10 -2.579 6.759 7.622 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.479 7.315 5.149 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.291 4.989 5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.295 4.858 5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.100 5.659 7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.055 3.755 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.926 5.149 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.168 5.240 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.684 3.304 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.433 3.627 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.616 2.813 6.367 1.00 0.00 H new ATOM 112 N LEU A 11 -3.231 7.673 3.383 1.00 0.00 N ATOM 113 CA LEU A 11 -4.233 8.099 2.412 1.00 0.00 C ATOM 114 C LEU A 11 -4.270 7.152 1.217 1.00 0.00 C ATOM 115 O LEU A 11 -5.336 6.863 0.673 1.00 0.00 O ATOM 116 CB LEU A 11 -3.939 9.524 1.939 1.00 0.00 C ATOM 117 CG LEU A 11 -4.275 10.641 2.928 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.625 11.947 2.498 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.782 10.809 3.052 1.00 0.00 C ATOM 0 H LEU A 11 -2.277 7.650 3.022 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.208 8.078 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.880 9.592 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.494 9.702 1.018 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.879 10.366 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.875 12.731 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.543 11.820 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.991 12.227 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.002 11.608 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.201 11.061 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.224 9.878 3.407 1.00 0.00 H new ATOM 131 N PHE A 12 -3.099 6.671 0.813 1.00 0.00 N ATOM 132 CA PHE A 12 -2.997 5.755 -0.317 1.00 0.00 C ATOM 133 C PHE A 12 -2.416 4.414 0.120 1.00 0.00 C ATOM 134 O PHE A 12 -1.431 4.363 0.857 1.00 0.00 O ATOM 135 CB PHE A 12 -2.128 6.366 -1.419 1.00 0.00 C ATOM 136 CG PHE A 12 -2.263 5.671 -2.743 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.291 6.001 -3.612 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.362 4.688 -3.121 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.418 5.362 -4.831 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.484 4.047 -4.339 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.513 4.385 -5.195 1.00 0.00 C ATOM 0 H PHE A 12 -2.207 6.900 1.251 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.001 5.586 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.394 7.416 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.084 6.336 -1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.001 6.766 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.555 4.420 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.225 5.627 -5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.775 3.282 -4.621 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.610 3.886 -6.148 1.00 0.00 H new ATOM 151 N ALA A 13 -3.033 3.330 -0.339 1.00 0.00 N ATOM 152 CA ALA A 13 -2.578 1.989 0.003 1.00 0.00 C ATOM 153 C ALA A 13 -3.051 0.969 -1.027 1.00 0.00 C ATOM 154 O ALA A 13 -4.247 0.703 -1.147 1.00 0.00 O ATOM 155 CB ALA A 13 -3.064 1.604 1.393 1.00 0.00 C ATOM 0 H ALA A 13 -3.850 3.355 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.488 1.991 -0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.716 0.600 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.671 2.310 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.154 1.626 1.417 1.00 0.00 H new ATOM 161 N VAL A 14 -2.106 0.401 -1.769 1.00 0.00 N ATOM 162 CA VAL A 14 -2.427 -0.590 -2.788 1.00 0.00 C ATOM 163 C VAL A 14 -1.414 -1.730 -2.786 1.00 0.00 C ATOM 164 O VAL A 14 -0.335 -1.614 -2.203 1.00 0.00 O ATOM 165 CB VAL A 14 -2.468 0.042 -4.192 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.218 1.365 -4.161 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.058 0.231 -4.732 1.00 0.00 C ATOM 0 H VAL A 14 -1.111 0.611 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.414 -0.984 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.001 -0.634 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.236 1.796 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.239 1.196 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.716 2.052 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.106 0.679 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.498 0.886 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.559 -0.736 -4.794 1.00 0.00 H new ATOM 177 N VAL A 15 -1.767 -2.831 -3.441 1.00 0.00 N ATOM 178 CA VAL A 15 -0.889 -3.992 -3.516 1.00 0.00 C ATOM 179 C VAL A 15 -0.662 -4.417 -4.962 1.00 0.00 C ATOM 180 O VAL A 15 -1.613 -4.657 -5.705 1.00 0.00 O ATOM 181 CB VAL A 15 -1.463 -5.182 -2.726 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.504 -6.363 -2.766 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.761 -4.775 -1.291 1.00 0.00 C ATOM 0 H VAL A 15 -2.656 -2.943 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 15 0.063 -3.698 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.398 -5.489 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.927 -7.194 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.346 -6.669 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.449 -6.073 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.166 -5.629 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.842 -4.441 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.489 -3.964 -1.287 1.00 0.00 H new ATOM 193 N ALA A 16 0.604 -4.509 -5.355 1.00 0.00 N ATOM 194 CA ALA A 16 0.956 -4.908 -6.712 1.00 0.00 C ATOM 195 C ALA A 16 2.240 -5.730 -6.727 1.00 0.00 C ATOM 196 O ALA A 16 3.269 -5.301 -6.204 1.00 0.00 O ATOM 197 CB ALA A 16 1.102 -3.682 -7.602 1.00 0.00 C ATOM 0 H ALA A 16 1.403 -4.313 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 16 0.151 -5.532 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.365 -3.995 -8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.159 -3.135 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.886 -3.037 -7.206 1.00 0.00 H new ATOM 203 N ARG A 17 2.173 -6.914 -7.327 1.00 0.00 N ATOM 204 CA ARG A 17 3.330 -7.796 -7.408 1.00 0.00 C ATOM 205 C ARG A 17 4.257 -7.376 -8.545 1.00 0.00 C ATOM 206 O ARG A 17 3.969 -7.620 -9.716 1.00 0.00 O ATOM 207 CB ARG A 17 2.881 -9.244 -7.611 1.00 0.00 C ATOM 208 CG ARG A 17 1.781 -9.401 -8.648 1.00 0.00 C ATOM 209 CD ARG A 17 1.674 -10.838 -9.135 1.00 0.00 C ATOM 210 NE ARG A 17 2.909 -11.295 -9.767 1.00 0.00 N ATOM 211 CZ ARG A 17 3.892 -11.897 -9.108 1.00 0.00 C ATOM 212 NH1 ARG A 17 3.786 -12.115 -7.805 1.00 0.00 N ATOM 213 NH2 ARG A 17 4.985 -12.284 -9.754 1.00 0.00 N ATOM 0 H ARG A 17 1.329 -7.284 -7.764 1.00 0.00 H new ATOM 0 HA ARG A 17 3.878 -7.720 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.740 -9.843 -7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.531 -9.644 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.829 -9.089 -8.219 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.981 -8.743 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.435 -11.489 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.851 -10.920 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 17 3.022 -11.143 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.947 -11.820 -7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.543 -12.578 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.070 -12.119 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.740 -12.746 -9.247 1.00 0.00 H new ATOM 227 N GLY A 18 5.370 -6.741 -8.191 1.00 0.00 N ATOM 228 CA GLY A 18 6.321 -6.297 -9.193 1.00 0.00 C ATOM 229 C GLY A 18 5.779 -5.167 -10.046 1.00 0.00 C ATOM 230 O GLY A 18 5.992 -3.992 -9.745 1.00 0.00 O ATOM 0 H GLY A 18 5.630 -6.526 -7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.237 -5.969 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.587 -7.137 -9.835 1.00 0.00 H new ATOM 234 N THR A 19 5.076 -5.522 -11.117 1.00 0.00 N ATOM 235 CA THR A 19 4.503 -4.530 -12.019 1.00 0.00 C ATOM 236 C THR A 19 3.059 -4.872 -12.367 1.00 0.00 C ATOM 237 O THR A 19 2.619 -4.675 -13.500 1.00 0.00 O ATOM 238 CB THR A 19 5.320 -4.416 -13.320 1.00 0.00 C ATOM 239 OG1 THR A 19 5.706 -5.719 -13.772 1.00 0.00 O ATOM 240 CG2 THR A 19 6.560 -3.560 -13.107 1.00 0.00 C ATOM 0 H THR A 19 4.890 -6.489 -11.381 1.00 0.00 H new ATOM 0 HA THR A 19 4.531 -3.574 -11.496 1.00 0.00 H new ATOM 0 HB THR A 19 4.694 -3.940 -14.075 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.223 -5.638 -14.600 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.121 -3.494 -14.039 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.262 -2.560 -12.791 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.186 -4.012 -12.338 1.00 0.00 H new ATOM 248 N THR A 20 2.324 -5.385 -11.385 1.00 0.00 N ATOM 249 CA THR A 20 0.929 -5.755 -11.589 1.00 0.00 C ATOM 250 C THR A 20 0.090 -5.432 -10.358 1.00 0.00 C ATOM 251 O THR A 20 0.323 -5.973 -9.276 1.00 0.00 O ATOM 252 CB THR A 20 0.787 -7.254 -11.914 1.00 0.00 C ATOM 253 OG1 THR A 20 1.531 -7.572 -13.095 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.674 -7.628 -12.113 1.00 0.00 C ATOM 0 H THR A 20 2.672 -5.554 -10.441 1.00 0.00 H new ATOM 0 HA THR A 20 0.567 -5.172 -12.436 1.00 0.00 H new ATOM 0 HB THR A 20 1.181 -7.825 -11.073 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.437 -8.527 -13.294 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.750 -8.691 -12.341 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.232 -7.412 -11.202 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.089 -7.049 -12.938 1.00 0.00 H new ATOM 262 N ILE A 21 -0.887 -4.548 -10.529 1.00 0.00 N ATOM 263 CA ILE A 21 -1.762 -4.154 -9.431 1.00 0.00 C ATOM 264 C ILE A 21 -2.920 -5.134 -9.273 1.00 0.00 C ATOM 265 O ILE A 21 -3.841 -5.160 -10.090 1.00 0.00 O ATOM 266 CB ILE A 21 -2.328 -2.738 -9.643 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.191 -1.738 -9.863 1.00 0.00 C ATOM 268 CG2 ILE A 21 -3.181 -2.325 -8.452 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.636 -0.455 -10.529 1.00 0.00 C ATOM 0 H ILE A 21 -1.093 -4.091 -11.417 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.156 -4.162 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.958 -2.744 -10.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.736 -1.500 -8.902 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.419 -2.206 -10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.574 -1.322 -8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.009 -3.025 -8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.572 -2.332 -7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.779 0.207 -10.653 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.064 -0.681 -11.505 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.386 0.036 -9.909 1.00 0.00 H new ATOM 281 N LEU A 22 -2.868 -5.937 -8.217 1.00 0.00 N ATOM 282 CA LEU A 22 -3.913 -6.919 -7.949 1.00 0.00 C ATOM 283 C LEU A 22 -5.124 -6.260 -7.295 1.00 0.00 C ATOM 284 O LEU A 22 -6.262 -6.485 -7.705 1.00 0.00 O ATOM 285 CB LEU A 22 -3.376 -8.033 -7.049 1.00 0.00 C ATOM 286 CG LEU A 22 -2.046 -8.656 -7.473 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.317 -9.231 -6.268 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.272 -9.732 -8.525 1.00 0.00 C ATOM 0 H LEU A 22 -2.113 -5.928 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.226 -7.349 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.263 -7.635 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.125 -8.824 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.424 -7.874 -7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.373 -9.670 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.121 -8.436 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.934 -9.999 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.314 -10.164 -8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.913 -10.512 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.751 -9.291 -9.399 1.00 0.00 H new ATOM 300 N ALA A 23 -4.869 -5.444 -6.278 1.00 0.00 N ATOM 301 CA ALA A 23 -5.937 -4.749 -5.570 1.00 0.00 C ATOM 302 C ALA A 23 -5.507 -3.341 -5.172 1.00 0.00 C ATOM 303 O ALA A 23 -4.515 -3.161 -4.466 1.00 0.00 O ATOM 304 CB ALA A 23 -6.359 -5.541 -4.342 1.00 0.00 C ATOM 0 H ALA A 23 -3.932 -5.248 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.789 -4.663 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.157 -5.010 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.717 -6.524 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.506 -5.657 -3.673 1.00 0.00 H new ATOM 310 N LYS A 24 -6.259 -2.346 -5.629 1.00 0.00 N ATOM 311 CA LYS A 24 -5.957 -0.954 -5.321 1.00 0.00 C ATOM 312 C LYS A 24 -7.175 -0.250 -4.732 1.00 0.00 C ATOM 313 O LYS A 24 -8.288 -0.384 -5.241 1.00 0.00 O ATOM 314 CB LYS A 24 -5.490 -0.221 -6.581 1.00 0.00 C ATOM 315 CG LYS A 24 -6.517 -0.221 -7.700 1.00 0.00 C ATOM 316 CD LYS A 24 -6.095 0.686 -8.844 1.00 0.00 C ATOM 317 CE LYS A 24 -7.295 1.173 -9.641 1.00 0.00 C ATOM 318 NZ LYS A 24 -7.840 2.449 -9.100 1.00 0.00 N ATOM 0 H LYS A 24 -7.083 -2.478 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.157 -0.937 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.247 0.810 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.572 -0.685 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.652 -1.237 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.481 0.107 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.548 1.542 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.413 0.149 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.006 1.314 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.074 0.411 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.657 2.747 -9.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.140 2.308 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.105 3.184 -9.137 1.00 0.00 H new ATOM 332 N HIS A 25 -6.957 0.502 -3.658 1.00 0.00 N ATOM 333 CA HIS A 25 -8.038 1.229 -3.001 1.00 0.00 C ATOM 334 C HIS A 25 -7.493 2.418 -2.215 1.00 0.00 C ATOM 335 O HIS A 25 -6.856 2.248 -1.176 1.00 0.00 O ATOM 336 CB HIS A 25 -8.814 0.299 -2.069 1.00 0.00 C ATOM 337 CG HIS A 25 -10.207 0.768 -1.779 1.00 0.00 C ATOM 338 ND1 HIS A 25 -11.200 0.812 -2.733 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.770 1.213 -0.631 1.00 0.00 C ATOM 340 CE1 HIS A 25 -12.314 1.265 -2.186 1.00 0.00 C ATOM 341 NE2 HIS A 25 -12.079 1.516 -0.911 1.00 0.00 N ATOM 0 H HIS A 25 -6.042 0.624 -3.224 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.712 1.603 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.859 -0.694 -2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.269 0.202 -1.130 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.092 0.538 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.280 1.311 0.327 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.256 1.406 -2.695 1.00 0.00 H new ATOM 350 N ALA A 26 -7.748 3.621 -2.718 1.00 0.00 N ATOM 351 CA ALA A 26 -7.285 4.838 -2.062 1.00 0.00 C ATOM 352 C ALA A 26 -8.412 5.857 -1.937 1.00 0.00 C ATOM 353 O ALA A 26 -9.447 5.735 -2.593 1.00 0.00 O ATOM 354 CB ALA A 26 -6.112 5.435 -2.826 1.00 0.00 C ATOM 0 H ALA A 26 -8.273 3.779 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.954 4.577 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.776 6.343 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.294 4.715 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.424 5.675 -3.842 1.00 0.00 H new ATOM 360 N TRP A 27 -8.204 6.861 -1.093 1.00 0.00 N ATOM 361 CA TRP A 27 -9.204 7.901 -0.882 1.00 0.00 C ATOM 362 C TRP A 27 -9.297 8.820 -2.095 1.00 0.00 C ATOM 363 O TRP A 27 -8.335 8.967 -2.849 1.00 0.00 O ATOM 364 CB TRP A 27 -8.865 8.717 0.367 1.00 0.00 C ATOM 365 CG TRP A 27 -8.949 7.923 1.636 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.168 6.861 1.991 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.867 8.128 2.715 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.544 6.393 3.227 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.584 7.154 3.693 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.898 9.040 2.953 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.297 7.067 4.886 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.605 8.953 4.137 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.302 7.973 5.092 1.00 0.00 C ATOM 0 H TRP A 27 -7.352 6.977 -0.544 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.171 7.418 -0.740 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.858 9.121 0.266 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.545 9.567 0.433 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.372 6.449 1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.118 5.607 3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.138 9.800 2.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.065 6.312 5.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.405 9.652 4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -11.873 7.932 6.008 1.00 0.00 H new ATOM 384 N CYS A 28 -10.460 9.437 -2.276 1.00 0.00 N ATOM 385 CA CYS A 28 -10.678 10.342 -3.399 1.00 0.00 C ATOM 386 C CYS A 28 -9.999 11.686 -3.154 1.00 0.00 C ATOM 387 O CYS A 28 -10.285 12.367 -2.170 1.00 0.00 O ATOM 388 CB CYS A 28 -12.176 10.548 -3.631 1.00 0.00 C ATOM 389 SG CYS A 28 -13.019 9.110 -4.331 1.00 0.00 S ATOM 0 H CYS A 28 -11.266 9.327 -1.660 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.239 9.891 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.647 10.806 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.316 11.398 -4.298 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.281 9.381 -4.488 1.00 0.00 H new ATOM 395 N GLY A 29 -9.097 12.060 -4.056 1.00 0.00 N ATOM 396 CA GLY A 29 -8.390 13.320 -3.919 1.00 0.00 C ATOM 397 C GLY A 29 -7.065 13.325 -4.656 1.00 0.00 C ATOM 398 O GLY A 29 -6.003 13.382 -4.038 1.00 0.00 O ATOM 0 H GLY A 29 -8.843 11.513 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.016 14.127 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.215 13.522 -2.862 1.00 0.00 H new ATOM 402 N GLY A 30 -7.128 13.264 -5.983 1.00 0.00 N ATOM 403 CA GLY A 30 -5.918 13.261 -6.783 1.00 0.00 C ATOM 404 C GLY A 30 -5.586 11.885 -7.327 1.00 0.00 C ATOM 405 O GLY A 30 -6.216 10.896 -6.957 1.00 0.00 O ATOM 0 H GLY A 30 -7.995 13.217 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.033 13.958 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.085 13.620 -6.178 1.00 0.00 H new ATOM 409 N ASN A 31 -4.594 11.823 -8.210 1.00 0.00 N ATOM 410 CA ASN A 31 -4.181 10.559 -8.808 1.00 0.00 C ATOM 411 C ASN A 31 -2.801 10.145 -8.306 1.00 0.00 C ATOM 412 O ASN A 31 -1.799 10.794 -8.607 1.00 0.00 O ATOM 413 CB ASN A 31 -4.168 10.672 -10.333 1.00 0.00 C ATOM 414 CG ASN A 31 -5.561 10.605 -10.930 1.00 0.00 C ATOM 415 OD1 ASN A 31 -6.552 10.486 -10.209 1.00 0.00 O ATOM 416 ND2 ASN A 31 -5.642 10.682 -12.253 1.00 0.00 N ATOM 0 H ASN A 31 -4.062 12.633 -8.527 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.900 9.795 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.697 11.612 -10.621 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.559 9.870 -10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.552 10.643 -12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.794 10.780 -12.811 1.00 0.00 H new ATOM 423 N PHE A 32 -2.757 9.060 -7.540 1.00 0.00 N ATOM 424 CA PHE A 32 -1.500 8.559 -6.996 1.00 0.00 C ATOM 425 C PHE A 32 -1.020 7.337 -7.773 1.00 0.00 C ATOM 426 O PHE A 32 0.181 7.146 -7.972 1.00 0.00 O ATOM 427 CB PHE A 32 -1.666 8.204 -5.517 1.00 0.00 C ATOM 428 CG PHE A 32 -1.378 9.349 -4.589 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.252 10.136 -4.768 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.233 9.639 -3.538 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.016 11.191 -3.915 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.971 10.693 -2.683 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.845 11.470 -2.872 1.00 0.00 C ATOM 0 H PHE A 32 -3.577 8.511 -7.282 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.752 9.346 -7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.685 7.857 -5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.002 7.374 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.424 9.923 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.115 9.034 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.898 11.796 -4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.646 10.909 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.638 12.294 -2.205 1.00 0.00 H new ATOM 443 N LEU A 33 -1.965 6.512 -8.209 1.00 0.00 N ATOM 444 CA LEU A 33 -1.639 5.307 -8.965 1.00 0.00 C ATOM 445 C LEU A 33 -0.536 5.583 -9.981 1.00 0.00 C ATOM 446 O LEU A 33 0.195 4.677 -10.378 1.00 0.00 O ATOM 447 CB LEU A 33 -2.885 4.776 -9.678 1.00 0.00 C ATOM 448 CG LEU A 33 -2.826 3.318 -10.135 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.677 2.390 -8.940 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.068 2.961 -10.938 1.00 0.00 C ATOM 0 H LEU A 33 -2.963 6.655 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.280 4.554 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.739 4.892 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.075 5.402 -10.550 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.954 3.193 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.637 1.357 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.758 2.630 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.529 2.517 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.009 1.920 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.954 3.102 -10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.131 3.605 -11.815 1.00 0.00 H new ATOM 462 N GLU A 34 -0.422 6.841 -10.396 1.00 0.00 N ATOM 463 CA GLU A 34 0.593 7.235 -11.366 1.00 0.00 C ATOM 464 C GLU A 34 1.993 7.099 -10.773 1.00 0.00 C ATOM 465 O GLU A 34 2.813 6.321 -11.262 1.00 0.00 O ATOM 466 CB GLU A 34 0.360 8.676 -11.824 1.00 0.00 C ATOM 467 CG GLU A 34 0.973 8.991 -13.178 1.00 0.00 C ATOM 468 CD GLU A 34 0.550 10.347 -13.709 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.776 11.356 -13.009 1.00 0.00 O ATOM 470 OE2 GLU A 34 -0.008 10.399 -14.825 1.00 0.00 O ATOM 0 H GLU A 34 -1.019 7.604 -10.076 1.00 0.00 H new ATOM 0 HA GLU A 34 0.515 6.570 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.713 8.866 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.774 9.356 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.060 8.960 -13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.684 8.219 -13.892 1.00 0.00 H new ATOM 477 N VAL A 35 2.260 7.861 -9.717 1.00 0.00 N ATOM 478 CA VAL A 35 3.559 7.825 -9.057 1.00 0.00 C ATOM 479 C VAL A 35 3.847 6.442 -8.485 1.00 0.00 C ATOM 480 O VAL A 35 4.961 5.929 -8.600 1.00 0.00 O ATOM 481 CB VAL A 35 3.641 8.865 -7.924 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.563 8.607 -6.883 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.023 8.850 -7.287 1.00 0.00 C ATOM 0 H VAL A 35 1.593 8.511 -9.300 1.00 0.00 H new ATOM 0 HA VAL A 35 4.306 8.064 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 35 3.472 9.854 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.637 9.352 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.581 8.672 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.697 7.612 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.064 9.591 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.223 7.861 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.774 9.088 -8.041 1.00 0.00 H new ATOM 493 N THR A 36 2.835 5.841 -7.867 1.00 0.00 N ATOM 494 CA THR A 36 2.979 4.516 -7.276 1.00 0.00 C ATOM 495 C THR A 36 3.479 3.507 -8.303 1.00 0.00 C ATOM 496 O THR A 36 4.429 2.767 -8.048 1.00 0.00 O ATOM 497 CB THR A 36 1.647 4.016 -6.687 1.00 0.00 C ATOM 498 OG1 THR A 36 1.257 4.843 -5.585 1.00 0.00 O ATOM 499 CG2 THR A 36 1.767 2.572 -6.225 1.00 0.00 C ATOM 0 H THR A 36 1.907 6.251 -7.763 1.00 0.00 H new ATOM 0 HA THR A 36 3.711 4.606 -6.474 1.00 0.00 H new ATOM 0 HB THR A 36 0.888 4.069 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.413 4.513 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.814 2.241 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.035 1.940 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.539 2.498 -5.459 1.00 0.00 H new ATOM 507 N GLU A 37 2.832 3.482 -9.465 1.00 0.00 N ATOM 508 CA GLU A 37 3.212 2.562 -10.530 1.00 0.00 C ATOM 509 C GLU A 37 4.652 2.807 -10.973 1.00 0.00 C ATOM 510 O GLU A 37 5.463 1.882 -11.020 1.00 0.00 O ATOM 511 CB GLU A 37 2.268 2.712 -11.724 1.00 0.00 C ATOM 512 CG GLU A 37 0.967 1.941 -11.572 1.00 0.00 C ATOM 513 CD GLU A 37 0.295 1.662 -12.903 1.00 0.00 C ATOM 514 OE1 GLU A 37 0.111 2.616 -13.687 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.045 0.488 -13.159 1.00 0.00 O ATOM 0 H GLU A 37 2.043 4.088 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 37 3.137 1.546 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.040 3.768 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.779 2.372 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.166 0.997 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.286 2.507 -10.937 1.00 0.00 H new ATOM 522 N GLN A 38 4.961 4.059 -11.296 1.00 0.00 N ATOM 523 CA GLN A 38 6.302 4.425 -11.736 1.00 0.00 C ATOM 524 C GLN A 38 7.359 3.830 -10.812 1.00 0.00 C ATOM 525 O GLN A 38 8.393 3.341 -11.269 1.00 0.00 O ATOM 526 CB GLN A 38 6.448 5.947 -11.784 1.00 0.00 C ATOM 527 CG GLN A 38 5.680 6.596 -12.924 1.00 0.00 C ATOM 528 CD GLN A 38 6.008 5.983 -14.272 1.00 0.00 C ATOM 529 OE1 GLN A 38 5.179 5.300 -14.874 1.00 0.00 O ATOM 530 NE2 GLN A 38 7.222 6.225 -14.752 1.00 0.00 N ATOM 0 H GLN A 38 4.301 4.836 -11.261 1.00 0.00 H new ATOM 0 HA GLN A 38 6.452 4.021 -12.737 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.103 6.367 -10.839 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.504 6.200 -11.878 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.610 6.501 -12.737 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.906 7.662 -12.949 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.877 6.797 -14.218 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.500 5.839 -15.654 1.00 0.00 H new ATOM 539 N ILE A 39 7.094 3.875 -9.511 1.00 0.00 N ATOM 540 CA ILE A 39 8.023 3.340 -8.523 1.00 0.00 C ATOM 541 C ILE A 39 8.107 1.820 -8.615 1.00 0.00 C ATOM 542 O ILE A 39 9.196 1.245 -8.600 1.00 0.00 O ATOM 543 CB ILE A 39 7.613 3.735 -7.092 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.590 5.258 -6.947 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.563 3.115 -6.079 1.00 0.00 C ATOM 546 CD1 ILE A 39 8.968 5.881 -6.901 1.00 0.00 C ATOM 0 H ILE A 39 6.243 4.276 -9.116 1.00 0.00 H new ATOM 0 HA ILE A 39 9.000 3.770 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 39 6.610 3.355 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.034 5.686 -7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.051 5.520 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.260 3.403 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.534 2.029 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.577 3.468 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.875 6.962 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.520 5.481 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.503 5.649 -7.822 1.00 0.00 H new ATOM 558 N LEU A 40 6.950 1.174 -8.710 1.00 0.00 N ATOM 559 CA LEU A 40 6.891 -0.281 -8.806 1.00 0.00 C ATOM 560 C LEU A 40 7.831 -0.793 -9.894 1.00 0.00 C ATOM 561 O LEU A 40 8.643 -1.686 -9.655 1.00 0.00 O ATOM 562 CB LEU A 40 5.460 -0.735 -9.098 1.00 0.00 C ATOM 563 CG LEU A 40 4.441 -0.499 -7.983 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.026 -0.714 -8.498 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.724 -1.413 -6.799 1.00 0.00 C ATOM 0 H LEU A 40 6.040 1.634 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 40 7.210 -0.697 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.113 -0.222 -9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.478 -1.800 -9.327 1.00 0.00 H new ATOM 0 HG LEU A 40 4.531 0.534 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.315 -0.542 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.826 -0.018 -9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.922 -1.737 -8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.989 -1.231 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.663 -2.453 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.723 -1.210 -6.413 1.00 0.00 H new ATOM 577 N ALA A 41 7.715 -0.219 -11.087 1.00 0.00 N ATOM 578 CA ALA A 41 8.556 -0.615 -12.209 1.00 0.00 C ATOM 579 C ALA A 41 10.034 -0.555 -11.836 1.00 0.00 C ATOM 580 O ALA A 41 10.883 -1.117 -12.527 1.00 0.00 O ATOM 581 CB ALA A 41 8.279 0.271 -13.415 1.00 0.00 C ATOM 0 H ALA A 41 7.047 0.521 -11.301 1.00 0.00 H new ATOM 0 HA ALA A 41 8.314 -1.646 -12.465 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.914 -0.036 -14.246 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.232 0.175 -13.704 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.492 1.309 -13.160 1.00 0.00 H new ATOM 587 N LYS A 42 10.334 0.131 -10.738 1.00 0.00 N ATOM 588 CA LYS A 42 11.709 0.264 -10.271 1.00 0.00 C ATOM 589 C LYS A 42 11.974 -0.663 -9.089 1.00 0.00 C ATOM 590 O LYS A 42 13.102 -1.112 -8.882 1.00 0.00 O ATOM 591 CB LYS A 42 11.995 1.713 -9.871 1.00 0.00 C ATOM 592 CG LYS A 42 12.244 2.633 -11.053 1.00 0.00 C ATOM 593 CD LYS A 42 12.192 4.095 -10.643 1.00 0.00 C ATOM 594 CE LYS A 42 12.137 5.013 -11.855 1.00 0.00 C ATOM 595 NZ LYS A 42 13.491 5.260 -12.425 1.00 0.00 N ATOM 0 H LYS A 42 9.643 0.603 -10.155 1.00 0.00 H new ATOM 0 HA LYS A 42 12.373 -0.019 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.152 2.095 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.865 1.735 -9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.218 2.411 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.498 2.444 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.318 4.267 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.069 4.337 -10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.497 4.570 -12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.684 5.963 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.411 5.890 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.095 5.706 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.914 4.357 -12.719 1.00 0.00 H new ATOM 609 N ILE A 43 10.930 -0.945 -8.318 1.00 0.00 N ATOM 610 CA ILE A 43 11.051 -1.821 -7.159 1.00 0.00 C ATOM 611 C ILE A 43 11.260 -3.270 -7.584 1.00 0.00 C ATOM 612 O ILE A 43 10.468 -3.845 -8.330 1.00 0.00 O ATOM 613 CB ILE A 43 9.805 -1.737 -6.258 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.631 -0.315 -5.721 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.913 -2.732 -5.112 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.305 -0.088 -5.030 1.00 0.00 C ATOM 0 H ILE A 43 9.991 -0.580 -8.475 1.00 0.00 H new ATOM 0 HA ILE A 43 11.920 -1.481 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 43 8.927 -1.990 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.438 -0.098 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.727 0.391 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.025 -2.661 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.994 -3.742 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.798 -2.507 -4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.251 0.941 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.492 -0.272 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.214 -0.769 -4.184 1.00 0.00 H new ATOM 628 N PRO A 44 12.353 -3.877 -7.098 1.00 0.00 N ATOM 629 CA PRO A 44 12.692 -5.269 -7.413 1.00 0.00 C ATOM 630 C PRO A 44 11.732 -6.260 -6.763 1.00 0.00 C ATOM 631 O PRO A 44 10.817 -5.868 -6.038 1.00 0.00 O ATOM 632 CB PRO A 44 14.100 -5.430 -6.834 1.00 0.00 C ATOM 633 CG PRO A 44 14.183 -4.414 -5.749 1.00 0.00 C ATOM 634 CD PRO A 44 13.342 -3.253 -6.203 1.00 0.00 C ATOM 0 HA PRO A 44 12.630 -5.473 -8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.256 -6.437 -6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.862 -5.260 -7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.814 -4.818 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.215 -4.106 -5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.863 -2.751 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.939 -2.504 -6.724 1.00 0.00 H new ATOM 642 N SER A 45 11.947 -7.545 -7.027 1.00 0.00 N ATOM 643 CA SER A 45 11.099 -8.592 -6.470 1.00 0.00 C ATOM 644 C SER A 45 11.787 -9.282 -5.297 1.00 0.00 C ATOM 645 O SER A 45 11.131 -9.865 -4.435 1.00 0.00 O ATOM 646 CB SER A 45 10.749 -9.620 -7.548 1.00 0.00 C ATOM 647 OG SER A 45 11.888 -10.375 -7.922 1.00 0.00 O ATOM 0 H SER A 45 12.701 -7.886 -7.623 1.00 0.00 H new ATOM 0 HA SER A 45 10.181 -8.128 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.971 -10.288 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.343 -9.111 -8.422 1.00 0.00 H new ATOM 0 HG SER A 45 11.637 -11.026 -8.611 1.00 0.00 H new ATOM 653 N GLU A 46 13.114 -9.211 -5.272 1.00 0.00 N ATOM 654 CA GLU A 46 13.892 -9.829 -4.205 1.00 0.00 C ATOM 655 C GLU A 46 13.408 -9.360 -2.836 1.00 0.00 C ATOM 656 O GLU A 46 13.037 -8.200 -2.661 1.00 0.00 O ATOM 657 CB GLU A 46 15.378 -9.503 -4.372 1.00 0.00 C ATOM 658 CG GLU A 46 15.678 -8.014 -4.366 1.00 0.00 C ATOM 659 CD GLU A 46 16.907 -7.664 -5.182 1.00 0.00 C ATOM 660 OE1 GLU A 46 16.867 -7.837 -6.418 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.909 -7.216 -4.586 1.00 0.00 O ATOM 0 H GLU A 46 13.673 -8.732 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 46 13.755 -10.908 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.939 -9.981 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.733 -9.933 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.818 -7.472 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.821 -7.680 -3.338 1.00 0.00 H new ATOM 668 N ASN A 47 13.414 -10.271 -1.869 1.00 0.00 N ATOM 669 CA ASN A 47 12.974 -9.952 -0.515 1.00 0.00 C ATOM 670 C ASN A 47 13.856 -8.872 0.103 1.00 0.00 C ATOM 671 O ASN A 47 14.908 -9.165 0.670 1.00 0.00 O ATOM 672 CB ASN A 47 12.996 -11.207 0.360 1.00 0.00 C ATOM 673 CG ASN A 47 11.738 -12.040 0.208 1.00 0.00 C ATOM 674 OD1 ASN A 47 10.661 -11.646 0.655 1.00 0.00 O ATOM 675 ND2 ASN A 47 11.870 -13.200 -0.426 1.00 0.00 N ATOM 0 H ASN A 47 13.719 -11.236 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 47 11.953 -9.574 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.864 -11.813 0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.112 -10.917 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.059 -13.804 -0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.783 -13.487 -0.780 1.00 0.00 H new ATOM 682 N ASN A 48 13.419 -7.622 -0.010 1.00 0.00 N ATOM 683 CA ASN A 48 14.169 -6.497 0.537 1.00 0.00 C ATOM 684 C ASN A 48 13.291 -5.253 0.634 1.00 0.00 C ATOM 685 O ASN A 48 12.525 -4.947 -0.280 1.00 0.00 O ATOM 686 CB ASN A 48 15.395 -6.204 -0.330 1.00 0.00 C ATOM 687 CG ASN A 48 16.314 -5.174 0.297 1.00 0.00 C ATOM 688 OD1 ASN A 48 17.305 -5.520 0.940 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.988 -3.900 0.113 1.00 0.00 N ATOM 0 H ASN A 48 12.549 -7.362 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 48 14.498 -6.766 1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.949 -7.128 -0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.069 -5.849 -1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.569 -3.162 0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.157 -3.659 -0.427 1.00 0.00 H new ATOM 696 N LYS A 49 13.408 -4.539 1.748 1.00 0.00 N ATOM 697 CA LYS A 49 12.627 -3.327 1.965 1.00 0.00 C ATOM 698 C LYS A 49 13.534 -2.103 2.048 1.00 0.00 C ATOM 699 O LYS A 49 14.714 -2.213 2.384 1.00 0.00 O ATOM 700 CB LYS A 49 11.802 -3.450 3.248 1.00 0.00 C ATOM 701 CG LYS A 49 11.141 -4.807 3.417 1.00 0.00 C ATOM 702 CD LYS A 49 10.981 -5.170 4.884 1.00 0.00 C ATOM 703 CE LYS A 49 10.671 -6.649 5.062 1.00 0.00 C ATOM 704 NZ LYS A 49 10.785 -7.072 6.485 1.00 0.00 N ATOM 0 H LYS A 49 14.036 -4.779 2.515 1.00 0.00 H new ATOM 0 HA LYS A 49 11.953 -3.202 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.448 -3.260 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.033 -2.677 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.164 -4.799 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.738 -5.569 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.895 -4.921 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.180 -4.574 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.663 -6.855 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.354 -7.239 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.566 -8.086 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.754 -6.899 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.115 -6.527 7.064 1.00 0.00 H new ATOM 718 N LEU A 50 12.976 -0.937 1.741 1.00 0.00 N ATOM 719 CA LEU A 50 13.735 0.309 1.782 1.00 0.00 C ATOM 720 C LEU A 50 12.804 1.509 1.922 1.00 0.00 C ATOM 721 O LEU A 50 11.700 1.519 1.375 1.00 0.00 O ATOM 722 CB LEU A 50 14.585 0.453 0.519 1.00 0.00 C ATOM 723 CG LEU A 50 15.117 1.856 0.224 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.406 1.780 -0.579 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.073 2.677 -0.516 1.00 0.00 C ATOM 0 H LEU A 50 12.001 -0.828 1.461 1.00 0.00 H new ATOM 0 HA LEU A 50 14.391 0.278 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.434 -0.227 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.991 0.125 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 50 15.333 2.349 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.770 2.788 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.156 1.230 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.217 1.268 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.469 3.672 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.826 2.187 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.175 2.761 0.096 1.00 0.00 H new ATOM 737 N THR A 51 13.257 2.521 2.655 1.00 0.00 N ATOM 738 CA THR A 51 12.465 3.726 2.865 1.00 0.00 C ATOM 739 C THR A 51 12.683 4.731 1.740 1.00 0.00 C ATOM 740 O THR A 51 13.775 5.278 1.586 1.00 0.00 O ATOM 741 CB THR A 51 12.809 4.396 4.209 1.00 0.00 C ATOM 742 OG1 THR A 51 12.642 3.460 5.280 1.00 0.00 O ATOM 743 CG2 THR A 51 11.926 5.612 4.449 1.00 0.00 C ATOM 0 H THR A 51 14.168 2.530 3.113 1.00 0.00 H new ATOM 0 HA THR A 51 11.419 3.419 2.876 1.00 0.00 H new ATOM 0 HB THR A 51 13.848 4.723 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.864 3.893 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.187 6.069 5.404 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.077 6.335 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.880 5.304 4.468 1.00 0.00 H new ATOM 751 N TYR A 52 11.638 4.969 0.955 1.00 0.00 N ATOM 752 CA TYR A 52 11.717 5.907 -0.159 1.00 0.00 C ATOM 753 C TYR A 52 11.065 7.238 0.203 1.00 0.00 C ATOM 754 O TYR A 52 9.980 7.273 0.783 1.00 0.00 O ATOM 755 CB TYR A 52 11.042 5.317 -1.398 1.00 0.00 C ATOM 756 CG TYR A 52 11.648 5.790 -2.700 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.676 7.141 -3.025 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.191 4.887 -3.606 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.227 7.579 -4.214 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.746 5.316 -4.796 1.00 0.00 C ATOM 761 CZ TYR A 52 12.762 6.662 -5.096 1.00 0.00 C ATOM 762 OH TYR A 52 13.312 7.093 -6.281 1.00 0.00 O ATOM 0 H TYR A 52 10.727 4.526 1.069 1.00 0.00 H new ATOM 0 HA TYR A 52 12.770 6.086 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.104 4.230 -1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.984 5.577 -1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.260 7.861 -2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.179 3.832 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.239 8.632 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.165 4.601 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 52 13.645 6.322 -6.787 1.00 0.00 H new ATOM 772 N SER A 53 11.735 8.332 -0.144 1.00 0.00 N ATOM 773 CA SER A 53 11.224 9.666 0.146 1.00 0.00 C ATOM 774 C SER A 53 10.948 10.434 -1.143 1.00 0.00 C ATOM 775 O SER A 53 11.869 10.779 -1.884 1.00 0.00 O ATOM 776 CB SER A 53 12.221 10.440 1.010 1.00 0.00 C ATOM 777 OG SER A 53 13.418 10.702 0.298 1.00 0.00 O ATOM 0 H SER A 53 12.634 8.321 -0.627 1.00 0.00 H new ATOM 0 HA SER A 53 10.287 9.558 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.774 11.380 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.447 9.868 1.910 1.00 0.00 H new ATOM 0 HG SER A 53 13.202 10.957 -0.623 1.00 0.00 H new ATOM 783 N HIS A 54 9.672 10.699 -1.405 1.00 0.00 N ATOM 784 CA HIS A 54 9.272 11.427 -2.604 1.00 0.00 C ATOM 785 C HIS A 54 8.518 12.702 -2.240 1.00 0.00 C ATOM 786 O HIS A 54 7.579 12.673 -1.445 1.00 0.00 O ATOM 787 CB HIS A 54 8.401 10.542 -3.497 1.00 0.00 C ATOM 788 CG HIS A 54 7.740 11.287 -4.615 1.00 0.00 C ATOM 789 ND1 HIS A 54 6.617 12.067 -4.440 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.052 11.369 -5.930 1.00 0.00 C ATOM 791 CE1 HIS A 54 6.265 12.595 -5.598 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.120 12.187 -6.519 1.00 0.00 N ATOM 0 H HIS A 54 8.897 10.420 -0.803 1.00 0.00 H new ATOM 0 HA HIS A 54 10.175 11.703 -3.149 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.016 9.745 -3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.635 10.065 -2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.880 10.882 -6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.422 13.249 -5.764 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.092 12.439 -7.507 1.00 0.00 H new ATOM 801 N GLY A 55 8.935 13.819 -2.826 1.00 0.00 N ATOM 802 CA GLY A 55 8.289 15.089 -2.550 1.00 0.00 C ATOM 803 C GLY A 55 7.961 15.265 -1.080 1.00 0.00 C ATOM 804 O GLY A 55 8.670 14.753 -0.214 1.00 0.00 O ATOM 0 H GLY A 55 9.710 13.868 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.939 15.902 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.372 15.162 -3.135 1.00 0.00 H new ATOM 808 N ASN A 56 6.885 15.992 -0.798 1.00 0.00 N ATOM 809 CA ASN A 56 6.467 16.236 0.577 1.00 0.00 C ATOM 810 C ASN A 56 5.670 15.055 1.122 1.00 0.00 C ATOM 811 O ASN A 56 4.663 15.235 1.807 1.00 0.00 O ATOM 812 CB ASN A 56 5.628 17.513 0.658 1.00 0.00 C ATOM 813 CG ASN A 56 5.411 17.973 2.087 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.057 17.484 3.013 1.00 0.00 O ATOM 815 ND2 ASN A 56 4.498 18.920 2.271 1.00 0.00 N ATOM 0 H ASN A 56 6.287 16.422 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 56 7.363 16.358 1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.122 18.305 0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.662 17.340 0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.309 19.271 3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.986 19.297 1.473 1.00 0.00 H new ATOM 822 N TYR A 57 6.128 13.847 0.812 1.00 0.00 N ATOM 823 CA TYR A 57 5.457 12.636 1.268 1.00 0.00 C ATOM 824 C TYR A 57 6.455 11.498 1.456 1.00 0.00 C ATOM 825 O TYR A 57 7.590 11.567 0.983 1.00 0.00 O ATOM 826 CB TYR A 57 4.375 12.220 0.270 1.00 0.00 C ATOM 827 CG TYR A 57 3.098 13.020 0.393 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.967 14.256 -0.228 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.023 12.541 1.131 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.803 14.991 -0.118 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.854 13.269 1.245 1.00 0.00 C ATOM 832 CZ TYR A 57 0.749 14.493 0.619 1.00 0.00 C ATOM 833 OH TYR A 57 -0.413 15.222 0.732 1.00 0.00 O ATOM 0 H TYR A 57 6.961 13.681 0.247 1.00 0.00 H new ATOM 0 HA TYR A 57 4.992 12.850 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.765 12.328 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.147 11.164 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.790 14.649 -0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.102 11.583 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.719 15.951 -0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.027 12.881 1.821 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.056 14.729 1.284 1.00 0.00 H new ATOM 843 N LEU A 58 6.024 10.450 2.150 1.00 0.00 N ATOM 844 CA LEU A 58 6.879 9.294 2.401 1.00 0.00 C ATOM 845 C LEU A 58 6.340 8.055 1.694 1.00 0.00 C ATOM 846 O LEU A 58 5.157 7.731 1.801 1.00 0.00 O ATOM 847 CB LEU A 58 6.987 9.032 3.904 1.00 0.00 C ATOM 848 CG LEU A 58 7.462 10.208 4.758 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.159 9.957 6.227 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.951 10.449 4.552 1.00 0.00 C ATOM 0 H LEU A 58 5.088 10.377 2.549 1.00 0.00 H new ATOM 0 HA LEU A 58 7.871 9.513 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.010 8.716 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.670 8.197 4.059 1.00 0.00 H new ATOM 0 HG LEU A 58 6.923 11.102 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.504 10.804 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.084 9.834 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.671 9.052 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.272 11.289 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.507 9.556 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.141 10.674 3.503 1.00 0.00 H new ATOM 862 N PHE A 59 7.217 7.363 0.973 1.00 0.00 N ATOM 863 CA PHE A 59 6.830 6.158 0.249 1.00 0.00 C ATOM 864 C PHE A 59 7.470 4.921 0.872 1.00 0.00 C ATOM 865 O PHE A 59 8.673 4.695 0.736 1.00 0.00 O ATOM 866 CB PHE A 59 7.234 6.269 -1.222 1.00 0.00 C ATOM 867 CG PHE A 59 6.312 7.134 -2.034 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.042 8.436 -1.645 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.715 6.645 -3.184 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.193 9.234 -2.390 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.866 7.438 -3.933 1.00 0.00 C ATOM 872 CZ PHE A 59 4.606 8.735 -3.535 1.00 0.00 C ATOM 0 H PHE A 59 8.200 7.616 0.875 1.00 0.00 H new ATOM 0 HA PHE A 59 5.747 6.057 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.245 6.672 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.262 5.271 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.499 8.832 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.915 5.632 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.989 10.247 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.407 7.044 -4.828 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.944 9.358 -4.119 1.00 0.00 H new ATOM 882 N HIS A 60 6.657 4.122 1.556 1.00 0.00 N ATOM 883 CA HIS A 60 7.142 2.906 2.200 1.00 0.00 C ATOM 884 C HIS A 60 6.627 1.665 1.477 1.00 0.00 C ATOM 885 O HIS A 60 5.423 1.510 1.271 1.00 0.00 O ATOM 886 CB HIS A 60 6.710 2.874 3.666 1.00 0.00 C ATOM 887 CG HIS A 60 6.940 4.166 4.387 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.190 4.599 4.777 1.00 0.00 N ATOM 889 CD2 HIS A 60 6.071 5.123 4.788 1.00 0.00 C ATOM 890 CE1 HIS A 60 8.080 5.765 5.387 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.804 6.106 5.407 1.00 0.00 N ATOM 0 H HIS A 60 5.659 4.295 1.679 1.00 0.00 H new ATOM 0 HA HIS A 60 8.231 2.907 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.651 2.622 3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.253 2.080 4.179 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.000 5.115 4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.895 6.342 5.799 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.425 6.960 5.816 1.00 0.00 H new ATOM 900 N TYR A 61 7.546 0.785 1.096 1.00 0.00 N ATOM 901 CA TYR A 61 7.185 -0.441 0.394 1.00 0.00 C ATOM 902 C TYR A 61 7.821 -1.657 1.059 1.00 0.00 C ATOM 903 O TYR A 61 8.925 -1.577 1.598 1.00 0.00 O ATOM 904 CB TYR A 61 7.618 -0.361 -1.071 1.00 0.00 C ATOM 905 CG TYR A 61 9.026 -0.856 -1.314 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.283 -2.206 -1.521 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.100 0.025 -1.336 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.567 -2.663 -1.742 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.387 -0.422 -1.558 1.00 0.00 C ATOM 910 CZ TYR A 61 11.616 -1.768 -1.760 1.00 0.00 C ATOM 911 OH TYR A 61 12.897 -2.219 -1.982 1.00 0.00 O ATOM 0 H TYR A 61 8.546 0.898 1.261 1.00 0.00 H new ATOM 0 HA TYR A 61 6.101 -0.550 0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.927 -0.945 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.542 0.673 -1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.464 -2.910 -1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.925 1.079 -1.177 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.749 -3.716 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.210 0.277 -1.574 1.00 0.00 H new ATOM 0 HH TYR A 61 13.017 -3.089 -1.547 1.00 0.00 H new ATOM 921 N ILE A 62 7.117 -2.783 1.015 1.00 0.00 N ATOM 922 CA ILE A 62 7.613 -4.017 1.611 1.00 0.00 C ATOM 923 C ILE A 62 7.509 -5.182 0.632 1.00 0.00 C ATOM 924 O ILE A 62 6.450 -5.425 0.051 1.00 0.00 O ATOM 925 CB ILE A 62 6.842 -4.372 2.896 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.840 -3.183 3.860 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.452 -5.598 3.559 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.650 -3.164 4.793 1.00 0.00 C ATOM 0 H ILE A 62 6.202 -2.866 0.573 1.00 0.00 H new ATOM 0 HA ILE A 62 8.660 -3.847 1.860 1.00 0.00 H new ATOM 0 HB ILE A 62 5.810 -4.603 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.755 -3.204 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.854 -2.258 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.896 -5.836 4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.406 -6.444 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.492 -5.394 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.714 -2.295 5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.731 -3.112 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.646 -4.072 5.396 1.00 0.00 H new ATOM 940 N CYS A 63 8.613 -5.899 0.454 1.00 0.00 N ATOM 941 CA CYS A 63 8.646 -7.039 -0.455 1.00 0.00 C ATOM 942 C CYS A 63 8.514 -8.350 0.313 1.00 0.00 C ATOM 943 O CYS A 63 9.387 -8.708 1.104 1.00 0.00 O ATOM 944 CB CYS A 63 9.944 -7.036 -1.263 1.00 0.00 C ATOM 945 SG CYS A 63 9.791 -7.769 -2.909 1.00 0.00 S ATOM 0 H CYS A 63 9.497 -5.711 0.927 1.00 0.00 H new ATOM 0 HA CYS A 63 7.801 -6.952 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.293 -6.009 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.708 -7.578 -0.705 1.00 0.00 H new ATOM 0 HG CYS A 63 10.673 -8.715 -3.047 1.00 0.00 H new ATOM 951 N GLN A 64 7.416 -9.061 0.076 1.00 0.00 N ATOM 952 CA GLN A 64 7.169 -10.331 0.748 1.00 0.00 C ATOM 953 C GLN A 64 6.375 -11.276 -0.148 1.00 0.00 C ATOM 954 O GLN A 64 5.259 -10.963 -0.562 1.00 0.00 O ATOM 955 CB GLN A 64 6.417 -10.101 2.060 1.00 0.00 C ATOM 956 CG GLN A 64 6.220 -11.366 2.878 1.00 0.00 C ATOM 957 CD GLN A 64 7.513 -11.878 3.482 1.00 0.00 C ATOM 958 OE1 GLN A 64 8.387 -11.097 3.858 1.00 0.00 O ATOM 959 NE2 GLN A 64 7.641 -13.196 3.579 1.00 0.00 N ATOM 0 H GLN A 64 6.684 -8.779 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 64 8.133 -10.791 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.963 -9.372 2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.442 -9.666 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.503 -11.170 3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.788 -12.140 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.891 -13.806 3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.489 -13.598 3.978 1.00 0.00 H new ATOM 968 N ASP A 65 6.958 -12.432 -0.445 1.00 0.00 N ATOM 969 CA ASP A 65 6.305 -13.423 -1.292 1.00 0.00 C ATOM 970 C ASP A 65 6.039 -12.857 -2.683 1.00 0.00 C ATOM 971 O ASP A 65 4.988 -13.106 -3.274 1.00 0.00 O ATOM 972 CB ASP A 65 4.993 -13.884 -0.655 1.00 0.00 C ATOM 973 CG ASP A 65 4.644 -15.314 -1.018 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.330 -15.567 -2.201 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.685 -16.180 -0.120 1.00 0.00 O ATOM 0 H ASP A 65 7.882 -12.706 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 65 6.973 -14.279 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.068 -13.795 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.186 -13.224 -0.974 1.00 0.00 H new ATOM 980 N ARG A 66 6.997 -12.095 -3.200 1.00 0.00 N ATOM 981 CA ARG A 66 6.865 -11.492 -4.521 1.00 0.00 C ATOM 982 C ARG A 66 5.730 -10.472 -4.542 1.00 0.00 C ATOM 983 O ARG A 66 5.084 -10.269 -5.570 1.00 0.00 O ATOM 984 CB ARG A 66 6.613 -12.572 -5.575 1.00 0.00 C ATOM 985 CG ARG A 66 7.746 -13.579 -5.698 1.00 0.00 C ATOM 986 CD ARG A 66 8.925 -12.999 -6.464 1.00 0.00 C ATOM 987 NE ARG A 66 10.096 -13.870 -6.405 1.00 0.00 N ATOM 988 CZ ARG A 66 10.242 -14.956 -7.155 1.00 0.00 C ATOM 989 NH1 ARG A 66 9.296 -15.304 -8.017 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.337 -15.698 -7.045 1.00 0.00 N ATOM 0 H ARG A 66 7.873 -11.880 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 66 7.798 -10.978 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.693 -13.101 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.456 -12.094 -6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.072 -13.885 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.386 -14.474 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.640 -12.844 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.179 -12.022 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 66 10.842 -13.631 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.453 -14.737 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.412 -16.139 -8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.067 -15.434 -6.384 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.448 -16.532 -7.622 1.00 0.00 H new ATOM 1004 N ILE A 67 5.494 -9.835 -3.400 1.00 0.00 N ATOM 1005 CA ILE A 67 4.438 -8.836 -3.288 1.00 0.00 C ATOM 1006 C ILE A 67 4.991 -7.505 -2.791 1.00 0.00 C ATOM 1007 O ILE A 67 5.775 -7.461 -1.843 1.00 0.00 O ATOM 1008 CB ILE A 67 3.321 -9.302 -2.336 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.948 -10.757 -2.626 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.102 -8.401 -2.469 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.228 -10.946 -3.943 1.00 0.00 C ATOM 0 H ILE A 67 6.019 -9.993 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 67 4.022 -8.704 -4.287 1.00 0.00 H new ATOM 0 HB ILE A 67 3.687 -9.237 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.854 -11.363 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.316 -11.129 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.321 -8.743 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.378 -7.377 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.733 -8.437 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.995 -12.002 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.304 -10.368 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.866 -10.605 -4.759 1.00 0.00 H new ATOM 1023 N VAL A 68 4.576 -6.419 -3.437 1.00 0.00 N ATOM 1024 CA VAL A 68 5.028 -5.085 -3.059 1.00 0.00 C ATOM 1025 C VAL A 68 3.878 -4.253 -2.504 1.00 0.00 C ATOM 1026 O VAL A 68 2.949 -3.897 -3.229 1.00 0.00 O ATOM 1027 CB VAL A 68 5.653 -4.344 -4.256 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.064 -2.935 -3.857 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.842 -5.121 -4.802 1.00 0.00 C ATOM 0 H VAL A 68 3.928 -6.437 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 68 5.786 -5.214 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 68 4.905 -4.268 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.503 -2.427 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.188 -2.383 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.796 -2.984 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.271 -4.583 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.595 -5.230 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.513 -6.107 -5.129 1.00 0.00 H new ATOM 1039 N TYR A 69 3.947 -3.945 -1.214 1.00 0.00 N ATOM 1040 CA TYR A 69 2.911 -3.155 -0.560 1.00 0.00 C ATOM 1041 C TYR A 69 3.376 -1.718 -0.343 1.00 0.00 C ATOM 1042 O TYR A 69 4.068 -1.417 0.631 1.00 0.00 O ATOM 1043 CB TYR A 69 2.527 -3.786 0.779 1.00 0.00 C ATOM 1044 CG TYR A 69 2.515 -5.298 0.754 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.673 -6.026 1.004 1.00 0.00 C ATOM 1046 CD2 TYR A 69 1.348 -5.999 0.480 1.00 0.00 C ATOM 1047 CE1 TYR A 69 3.667 -7.407 0.982 1.00 0.00 C ATOM 1048 CE2 TYR A 69 1.332 -7.380 0.457 1.00 0.00 C ATOM 1049 CZ TYR A 69 2.494 -8.080 0.708 1.00 0.00 C ATOM 1050 OH TYR A 69 2.483 -9.455 0.685 1.00 0.00 O ATOM 0 H TYR A 69 4.710 -4.231 -0.600 1.00 0.00 H new ATOM 0 HA TYR A 69 2.037 -3.140 -1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.227 -3.449 1.544 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.540 -3.428 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.593 -5.503 1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.437 -5.455 0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.575 -7.957 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.415 -7.909 0.244 1.00 0.00 H new ATOM 0 HH TYR A 69 1.579 -9.771 0.478 1.00 0.00 H new ATOM 1060 N LEU A 70 2.991 -0.834 -1.257 1.00 0.00 N ATOM 1061 CA LEU A 70 3.367 0.573 -1.167 1.00 0.00 C ATOM 1062 C LEU A 70 2.228 1.404 -0.585 1.00 0.00 C ATOM 1063 O LEU A 70 1.055 1.056 -0.729 1.00 0.00 O ATOM 1064 CB LEU A 70 3.751 1.107 -2.547 1.00 0.00 C ATOM 1065 CG LEU A 70 4.489 2.447 -2.567 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.398 2.538 -3.782 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.498 3.602 -2.551 1.00 0.00 C ATOM 0 H LEU A 70 2.419 -1.066 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 70 4.227 0.653 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.376 0.363 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.843 1.206 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 70 5.107 2.513 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.914 3.498 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.131 1.732 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.802 2.450 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.041 4.547 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.853 3.540 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.889 3.547 -1.648 1.00 0.00 H new ATOM 1079 N CYS A 71 2.581 2.506 0.068 1.00 0.00 N ATOM 1080 CA CYS A 71 1.588 3.389 0.670 1.00 0.00 C ATOM 1081 C CYS A 71 2.116 4.817 0.762 1.00 0.00 C ATOM 1082 O CYS A 71 3.323 5.038 0.853 1.00 0.00 O ATOM 1083 CB CYS A 71 1.203 2.884 2.061 1.00 0.00 C ATOM 1084 SG CYS A 71 2.482 3.126 3.316 1.00 0.00 S ATOM 0 H CYS A 71 3.547 2.809 0.194 1.00 0.00 H new ATOM 0 HA CYS A 71 0.703 3.388 0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.294 3.393 2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.968 1.822 1.998 1.00 0.00 H new ATOM 0 HG CYS A 71 3.383 3.948 2.865 1.00 0.00 H new ATOM 1090 N ILE A 72 1.203 5.782 0.736 1.00 0.00 N ATOM 1091 CA ILE A 72 1.576 7.189 0.816 1.00 0.00 C ATOM 1092 C ILE A 72 1.037 7.829 2.091 1.00 0.00 C ATOM 1093 O ILE A 72 -0.158 7.751 2.381 1.00 0.00 O ATOM 1094 CB ILE A 72 1.059 7.978 -0.400 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.632 7.397 -1.694 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.421 9.450 -0.269 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.761 7.645 -2.906 1.00 0.00 C ATOM 0 H ILE A 72 0.200 5.615 0.660 1.00 0.00 H new ATOM 0 HA ILE A 72 2.665 7.227 0.826 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.027 7.892 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.618 7.828 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.771 6.323 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.049 9.995 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.970 9.857 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.504 9.555 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.229 7.206 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.217 7.190 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.643 8.718 -3.056 1.00 0.00 H new ATOM 1109 N THR A 73 1.925 8.465 2.849 1.00 0.00 N ATOM 1110 CA THR A 73 1.539 9.120 4.092 1.00 0.00 C ATOM 1111 C THR A 73 2.274 10.443 4.268 1.00 0.00 C ATOM 1112 O THR A 73 3.267 10.708 3.589 1.00 0.00 O ATOM 1113 CB THR A 73 1.822 8.223 5.312 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.226 7.960 5.411 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.062 6.909 5.205 1.00 0.00 C ATOM 0 H THR A 73 2.917 8.540 2.623 1.00 0.00 H new ATOM 0 HA THR A 73 0.467 9.308 4.029 1.00 0.00 H new ATOM 0 HB THR A 73 1.486 8.747 6.207 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.372 7.164 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.277 6.292 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.008 7.110 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.372 6.382 4.303 1.00 0.00 H new ATOM 1123 N ASP A 74 1.782 11.272 5.182 1.00 0.00 N ATOM 1124 CA ASP A 74 2.394 12.568 5.448 1.00 0.00 C ATOM 1125 C ASP A 74 3.721 12.402 6.182 1.00 0.00 C ATOM 1126 O ASP A 74 3.860 11.538 7.047 1.00 0.00 O ATOM 1127 CB ASP A 74 1.448 13.444 6.272 1.00 0.00 C ATOM 1128 CG ASP A 74 2.093 14.745 6.706 1.00 0.00 C ATOM 1129 OD1 ASP A 74 2.534 15.512 5.824 1.00 0.00 O ATOM 1130 OD2 ASP A 74 2.158 14.996 7.927 1.00 0.00 O ATOM 0 H ASP A 74 0.960 11.069 5.751 1.00 0.00 H new ATOM 0 HA ASP A 74 2.586 13.054 4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.556 13.662 5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.122 12.892 7.153 1.00 0.00 H new ATOM 1135 N ASP A 75 4.694 13.235 5.829 1.00 0.00 N ATOM 1136 CA ASP A 75 6.011 13.181 6.454 1.00 0.00 C ATOM 1137 C ASP A 75 5.892 12.902 7.949 1.00 0.00 C ATOM 1138 O ASP A 75 6.396 11.894 8.444 1.00 0.00 O ATOM 1139 CB ASP A 75 6.761 14.494 6.226 1.00 0.00 C ATOM 1140 CG ASP A 75 8.032 14.585 7.048 1.00 0.00 C ATOM 1141 OD1 ASP A 75 7.929 14.732 8.283 1.00 0.00 O ATOM 1142 OD2 ASP A 75 9.129 14.510 6.455 1.00 0.00 O ATOM 0 H ASP A 75 4.596 13.955 5.114 1.00 0.00 H new ATOM 0 HA ASP A 75 6.571 12.367 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.008 14.589 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.109 15.330 6.477 1.00 0.00 H new ATOM 1147 N ASP A 76 5.223 13.801 8.662 1.00 0.00 N ATOM 1148 CA ASP A 76 5.038 13.652 10.101 1.00 0.00 C ATOM 1149 C ASP A 76 4.773 12.195 10.466 1.00 0.00 C ATOM 1150 O ASP A 76 5.451 11.625 11.322 1.00 0.00 O ATOM 1151 CB ASP A 76 3.881 14.529 10.581 1.00 0.00 C ATOM 1152 CG ASP A 76 4.013 15.966 10.116 1.00 0.00 C ATOM 1153 OD1 ASP A 76 5.117 16.534 10.251 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.011 16.523 9.619 1.00 0.00 O ATOM 0 H ASP A 76 4.800 14.641 8.267 1.00 0.00 H new ATOM 0 HA ASP A 76 5.955 13.971 10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.940 14.117 10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.838 14.505 11.670 1.00 0.00 H new ATOM 1159 N PHE A 77 3.782 11.597 9.813 1.00 0.00 N ATOM 1160 CA PHE A 77 3.426 10.206 10.071 1.00 0.00 C ATOM 1161 C PHE A 77 4.668 9.376 10.385 1.00 0.00 C ATOM 1162 O PHE A 77 5.570 9.254 9.557 1.00 0.00 O ATOM 1163 CB PHE A 77 2.694 9.613 8.865 1.00 0.00 C ATOM 1164 CG PHE A 77 1.959 8.341 9.176 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.854 8.351 10.012 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.374 7.135 8.634 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.175 7.182 10.300 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.699 5.963 8.918 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.599 5.986 9.753 1.00 0.00 C ATOM 0 H PHE A 77 3.211 12.053 9.101 1.00 0.00 H new ATOM 0 HA PHE A 77 2.765 10.181 10.937 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.986 10.348 8.482 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.415 9.422 8.070 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.519 9.283 10.443 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.235 7.111 7.982 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.686 7.203 10.952 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.031 5.030 8.487 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.071 5.071 9.978 1.00 0.00 H new ATOM 1179 N GLU A 78 4.704 8.808 11.586 1.00 0.00 N ATOM 1180 CA GLU A 78 5.835 7.991 12.010 1.00 0.00 C ATOM 1181 C GLU A 78 6.073 6.843 11.033 1.00 0.00 C ATOM 1182 O GLU A 78 5.141 6.134 10.654 1.00 0.00 O ATOM 1183 CB GLU A 78 5.594 7.438 13.416 1.00 0.00 C ATOM 1184 CG GLU A 78 6.871 7.223 14.212 1.00 0.00 C ATOM 1185 CD GLU A 78 7.541 8.525 14.604 1.00 0.00 C ATOM 1186 OE1 GLU A 78 6.832 9.436 15.080 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.773 8.634 14.434 1.00 0.00 O ATOM 0 H GLU A 78 3.964 8.898 12.282 1.00 0.00 H new ATOM 0 HA GLU A 78 6.723 8.623 12.024 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.947 8.125 13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.060 6.491 13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.642 6.652 15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.566 6.625 13.622 1.00 0.00 H new ATOM 1194 N ARG A 79 7.327 6.667 10.630 1.00 0.00 N ATOM 1195 CA ARG A 79 7.687 5.606 9.697 1.00 0.00 C ATOM 1196 C ARG A 79 7.227 4.247 10.214 1.00 0.00 C ATOM 1197 O ARG A 79 6.746 3.411 9.449 1.00 0.00 O ATOM 1198 CB ARG A 79 9.200 5.591 9.468 1.00 0.00 C ATOM 1199 CG ARG A 79 9.674 6.627 8.462 1.00 0.00 C ATOM 1200 CD ARG A 79 10.028 7.942 9.139 1.00 0.00 C ATOM 1201 NE ARG A 79 11.304 7.868 9.844 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.626 8.655 10.865 1.00 0.00 C ATOM 1203 NH1 ARG A 79 10.769 9.570 11.297 1.00 0.00 N ATOM 1204 NH2 ARG A 79 12.807 8.527 11.456 1.00 0.00 N ATOM 0 H ARG A 79 8.110 7.245 10.935 1.00 0.00 H new ATOM 0 HA ARG A 79 7.184 5.804 8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.705 5.763 10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.497 4.600 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.545 6.246 7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.895 6.797 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.072 8.734 8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.240 8.211 9.843 1.00 0.00 H new ATOM 0 HE ARG A 79 11.986 7.174 9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.860 9.671 10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.019 10.173 12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.469 7.824 11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.053 9.132 12.240 1.00 0.00 H new ATOM 1218 N SER A 80 7.379 4.033 11.517 1.00 0.00 N ATOM 1219 CA SER A 80 6.983 2.773 12.136 1.00 0.00 C ATOM 1220 C SER A 80 5.527 2.445 11.818 1.00 0.00 C ATOM 1221 O SER A 80 5.223 1.383 11.276 1.00 0.00 O ATOM 1222 CB SER A 80 7.182 2.840 13.651 1.00 0.00 C ATOM 1223 OG SER A 80 7.439 1.555 14.190 1.00 0.00 O ATOM 0 H SER A 80 7.773 4.715 12.164 1.00 0.00 H new ATOM 0 HA SER A 80 7.613 1.983 11.728 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.012 3.507 13.882 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.293 3.263 14.119 1.00 0.00 H new ATOM 0 HG SER A 80 7.564 1.626 15.159 1.00 0.00 H new ATOM 1229 N ARG A 81 4.631 3.366 12.159 1.00 0.00 N ATOM 1230 CA ARG A 81 3.207 3.176 11.911 1.00 0.00 C ATOM 1231 C ARG A 81 2.970 2.611 10.514 1.00 0.00 C ATOM 1232 O ARG A 81 2.367 1.550 10.357 1.00 0.00 O ATOM 1233 CB ARG A 81 2.458 4.500 12.072 1.00 0.00 C ATOM 1234 CG ARG A 81 2.443 5.021 13.499 1.00 0.00 C ATOM 1235 CD ARG A 81 1.719 6.355 13.597 1.00 0.00 C ATOM 1236 NE ARG A 81 1.420 6.716 14.981 1.00 0.00 N ATOM 1237 CZ ARG A 81 0.389 6.228 15.661 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.438 5.364 15.088 1.00 0.00 N ATOM 1239 NH2 ARG A 81 0.183 6.604 16.916 1.00 0.00 N ATOM 0 H ARG A 81 4.866 4.251 12.608 1.00 0.00 H new ATOM 0 HA ARG A 81 2.828 2.462 12.642 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.917 5.248 11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.431 4.371 11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.956 4.293 14.148 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.466 5.134 13.857 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.332 7.134 13.144 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.791 6.307 13.027 1.00 0.00 H new ATOM 0 HE ARG A 81 2.037 7.379 15.450 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.283 5.073 14.123 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.229 4.991 15.612 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.817 7.269 17.360 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.609 6.229 17.437 1.00 0.00 H new ATOM 1253 N ALA A 82 3.447 3.328 9.502 1.00 0.00 N ATOM 1254 CA ALA A 82 3.288 2.898 8.118 1.00 0.00 C ATOM 1255 C ALA A 82 3.646 1.425 7.957 1.00 0.00 C ATOM 1256 O ALA A 82 2.893 0.654 7.362 1.00 0.00 O ATOM 1257 CB ALA A 82 4.143 3.756 7.197 1.00 0.00 C ATOM 0 H ALA A 82 3.947 4.210 9.615 1.00 0.00 H new ATOM 0 HA ALA A 82 2.241 3.022 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.014 3.424 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.837 4.799 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.191 3.661 7.481 1.00 0.00 H new ATOM 1263 N PHE A 83 4.801 1.040 8.489 1.00 0.00 N ATOM 1264 CA PHE A 83 5.260 -0.342 8.403 1.00 0.00 C ATOM 1265 C PHE A 83 4.273 -1.287 9.081 1.00 0.00 C ATOM 1266 O PHE A 83 4.055 -2.407 8.623 1.00 0.00 O ATOM 1267 CB PHE A 83 6.642 -0.484 9.044 1.00 0.00 C ATOM 1268 CG PHE A 83 7.756 0.059 8.195 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.970 -0.430 6.916 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.587 1.058 8.675 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.995 0.067 6.133 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.613 1.559 7.896 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.817 1.064 6.623 1.00 0.00 C ATOM 0 H PHE A 83 5.437 1.665 8.984 1.00 0.00 H new ATOM 0 HA PHE A 83 5.327 -0.611 7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.643 0.032 10.004 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.832 -1.538 9.248 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.329 -1.207 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.431 1.450 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.153 -0.324 5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.255 2.337 8.283 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.617 1.455 6.012 1.00 0.00 H new ATOM 1283 N ASN A 84 3.678 -0.825 10.177 1.00 0.00 N ATOM 1284 CA ASN A 84 2.715 -1.629 10.920 1.00 0.00 C ATOM 1285 C ASN A 84 1.457 -1.874 10.092 1.00 0.00 C ATOM 1286 O ASN A 84 1.174 -3.003 9.692 1.00 0.00 O ATOM 1287 CB ASN A 84 2.347 -0.936 12.234 1.00 0.00 C ATOM 1288 CG ASN A 84 1.033 -1.436 12.803 1.00 0.00 C ATOM 1289 OD1 ASN A 84 -0.023 -1.276 12.190 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.093 -2.045 13.981 1.00 0.00 N ATOM 0 H ASN A 84 3.846 0.101 10.569 1.00 0.00 H new ATOM 0 HA ASN A 84 3.176 -2.591 11.141 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.141 -1.100 12.963 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.283 0.139 12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.242 -2.403 14.414 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.990 -2.155 14.453 1.00 0.00 H new ATOM 1297 N PHE A 85 0.706 -0.808 9.838 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.522 -0.906 9.057 1.00 0.00 C ATOM 1299 C PHE A 85 -0.297 -1.724 7.789 1.00 0.00 C ATOM 1300 O PHE A 85 -1.147 -2.523 7.392 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.034 0.489 8.693 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.924 0.504 7.483 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -1.383 0.587 6.210 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -3.301 0.437 7.619 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -2.199 0.601 5.094 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -4.122 0.450 6.507 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.570 0.534 5.243 1.00 0.00 C ATOM 0 H PHE A 85 0.926 0.134 10.161 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.270 -1.412 9.667 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.581 0.899 9.542 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.182 1.145 8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.311 0.641 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.738 0.374 8.605 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.765 0.664 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.194 0.395 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.210 0.547 4.373 1.00 0.00 H new ATOM 1317 N LEU A 86 0.854 -1.520 7.158 1.00 0.00 N ATOM 1318 CA LEU A 86 1.193 -2.237 5.933 1.00 0.00 C ATOM 1319 C LEU A 86 1.294 -3.737 6.192 1.00 0.00 C ATOM 1320 O LEU A 86 0.581 -4.532 5.579 1.00 0.00 O ATOM 1321 CB LEU A 86 2.513 -1.717 5.363 1.00 0.00 C ATOM 1322 CG LEU A 86 2.459 -0.346 4.688 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.861 0.144 4.361 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.605 -0.405 3.430 1.00 0.00 C ATOM 0 H LEU A 86 1.568 -0.864 7.474 1.00 0.00 H new ATOM 0 HA LEU A 86 0.398 -2.064 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.243 -1.673 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.883 -2.442 4.638 1.00 0.00 H new ATOM 0 HG LEU A 86 2.002 0.361 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.802 1.121 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.442 0.225 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.345 -0.563 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.578 0.579 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.033 -1.126 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.592 -0.711 3.692 1.00 0.00 H new ATOM 1336 N ASN A 87 2.182 -4.117 7.104 1.00 0.00 N ATOM 1337 CA ASN A 87 2.374 -5.522 7.445 1.00 0.00 C ATOM 1338 C ASN A 87 1.043 -6.188 7.782 1.00 0.00 C ATOM 1339 O ASN A 87 0.882 -7.395 7.612 1.00 0.00 O ATOM 1340 CB ASN A 87 3.337 -5.655 8.627 1.00 0.00 C ATOM 1341 CG ASN A 87 4.787 -5.718 8.187 1.00 0.00 C ATOM 1342 OD1 ASN A 87 5.136 -5.269 7.095 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.640 -6.277 9.037 1.00 0.00 N ATOM 0 H ASN A 87 2.780 -3.472 7.620 1.00 0.00 H new ATOM 0 HA ASN A 87 2.802 -6.025 6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.201 -4.809 9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.092 -6.554 9.192 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.628 -6.347 8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.307 -6.636 9.932 1.00 0.00 H new ATOM 1350 N GLU A 88 0.094 -5.390 8.261 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.223 -5.902 8.622 1.00 0.00 C ATOM 1352 C GLU A 88 -2.004 -6.320 7.380 1.00 0.00 C ATOM 1353 O GLU A 88 -2.359 -7.489 7.221 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.010 -4.846 9.401 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.721 -4.849 10.893 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.538 -3.818 11.647 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -3.668 -4.147 12.066 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -2.048 -2.682 11.818 1.00 0.00 O ATOM 0 H GLU A 88 0.212 -4.388 8.408 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.082 -6.779 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.778 -3.861 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.076 -5.012 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.930 -5.839 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.660 -4.656 11.054 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.268 -5.358 6.502 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.005 -5.625 5.274 1.00 0.00 C ATOM 1367 C ILE A 89 -2.231 -6.571 4.363 1.00 0.00 C ATOM 1368 O ILE A 89 -2.820 -7.361 3.624 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.311 -4.326 4.506 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.029 -3.518 4.298 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.349 -3.501 5.253 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.219 -2.296 3.427 1.00 0.00 C ATOM 0 H ILE A 89 -1.982 -4.386 6.619 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.945 -6.094 5.566 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.717 -4.586 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.645 -3.206 5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.273 -4.161 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.555 -2.586 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.268 -4.078 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.969 -3.247 6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.269 -1.772 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.574 -2.602 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.951 -1.632 3.886 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.906 -6.488 4.421 1.00 0.00 N ATOM 1385 CA LYS A 90 -0.049 -7.338 3.604 1.00 0.00 C ATOM 1386 C LYS A 90 -0.180 -8.801 4.017 1.00 0.00 C ATOM 1387 O LYS A 90 -0.188 -9.696 3.172 1.00 0.00 O ATOM 1388 CB LYS A 90 1.410 -6.892 3.725 1.00 0.00 C ATOM 1389 CG LYS A 90 2.226 -7.735 4.690 1.00 0.00 C ATOM 1390 CD LYS A 90 3.708 -7.414 4.595 1.00 0.00 C ATOM 1391 CE LYS A 90 4.543 -8.390 5.410 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.066 -8.487 6.818 1.00 0.00 N ATOM 0 H LYS A 90 -0.402 -5.840 5.026 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.368 -7.242 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.875 -6.929 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.437 -5.852 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.880 -7.561 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.067 -8.792 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.022 -7.447 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.885 -6.398 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.506 -9.375 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.585 -8.072 5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.841 -8.237 7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.270 -7.833 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.753 -9.460 7.012 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.285 -9.036 5.320 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.419 -10.389 5.846 1.00 0.00 C ATOM 1408 C LYS A 91 -1.796 -10.963 5.526 1.00 0.00 C ATOM 1409 O LYS A 91 -1.932 -12.151 5.236 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.191 -10.396 7.359 1.00 0.00 C ATOM 1411 CG LYS A 91 1.266 -10.568 7.753 1.00 0.00 C ATOM 1412 CD LYS A 91 1.758 -11.976 7.468 1.00 0.00 C ATOM 1413 CE LYS A 91 1.354 -12.943 8.571 1.00 0.00 C ATOM 1414 NZ LYS A 91 2.084 -14.237 8.470 1.00 0.00 N ATOM 0 H LYS A 91 -0.280 -8.306 6.032 1.00 0.00 H new ATOM 0 HA LYS A 91 0.336 -11.014 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.564 -9.462 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.776 -11.201 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.879 -9.850 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.385 -10.348 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.352 -12.318 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.843 -11.970 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.552 -12.489 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.281 -13.126 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.780 -14.868 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.875 -14.683 7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.107 -14.065 8.546 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.814 -10.110 5.580 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.181 -10.533 5.296 1.00 0.00 C ATOM 1430 C ARG A 92 -4.333 -10.931 3.831 1.00 0.00 C ATOM 1431 O ARG A 92 -5.083 -11.850 3.502 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.165 -9.412 5.636 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.592 -9.397 7.095 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.954 -8.744 7.270 1.00 0.00 C ATOM 1435 NE ARG A 92 -8.042 -9.714 7.178 1.00 0.00 N ATOM 1436 CZ ARG A 92 -9.242 -9.525 7.713 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -9.508 -8.407 8.376 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -10.181 -10.454 7.587 1.00 0.00 N ATOM 0 H ARG A 92 -2.718 -9.123 5.818 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.403 -11.402 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.709 -8.453 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.050 -9.514 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.625 -10.418 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.851 -8.860 7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.995 -8.244 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.088 -7.976 6.509 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.870 -10.585 6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.789 -7.690 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.431 -8.265 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.981 -11.315 7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.102 -10.307 7.999 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.617 -10.233 2.956 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.673 -10.513 1.526 1.00 0.00 C ATOM 1454 C PHE A 93 -2.971 -11.828 1.201 1.00 0.00 C ATOM 1455 O PHE A 93 -3.546 -12.710 0.564 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.033 -9.371 0.735 1.00 0.00 C ATOM 1457 CG PHE A 93 -2.991 -9.616 -0.746 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -1.999 -10.409 -1.302 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -3.943 -9.056 -1.582 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -1.958 -10.636 -2.665 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -3.907 -9.279 -2.945 1.00 0.00 C ATOM 1462 CZ PHE A 93 -2.913 -10.071 -3.487 1.00 0.00 C ATOM 0 H PHE A 93 -2.991 -9.469 3.212 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.721 -10.601 1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.587 -8.452 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.017 -9.213 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.250 -10.854 -0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.723 -8.437 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.180 -11.255 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.655 -8.835 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.883 -10.248 -4.552 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.723 -11.950 1.643 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.941 -13.156 1.398 1.00 0.00 C ATOM 1474 C GLN A 94 -1.508 -14.340 2.175 1.00 0.00 C ATOM 1475 O GLN A 94 -1.313 -15.496 1.798 1.00 0.00 O ATOM 1476 CB GLN A 94 0.521 -12.929 1.786 1.00 0.00 C ATOM 1477 CG GLN A 94 0.765 -12.964 3.286 1.00 0.00 C ATOM 1478 CD GLN A 94 2.208 -12.672 3.649 1.00 0.00 C ATOM 1479 OE1 GLN A 94 3.042 -13.577 3.701 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.510 -11.404 3.903 1.00 0.00 N ATOM 0 H GLN A 94 -1.232 -11.229 2.172 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.996 -13.384 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.137 -13.690 1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.846 -11.965 1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.117 -12.235 3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.488 -13.945 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.787 -10.687 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.465 -11.147 4.153 1.00 0.00 H new ATOM 1489 N THR A 95 -2.210 -14.044 3.265 1.00 0.00 N ATOM 1490 CA THR A 95 -2.804 -15.083 4.097 1.00 0.00 C ATOM 1491 C THR A 95 -4.191 -15.465 3.593 1.00 0.00 C ATOM 1492 O THR A 95 -4.589 -16.629 3.658 1.00 0.00 O ATOM 1493 CB THR A 95 -2.909 -14.635 5.566 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.600 -14.445 6.115 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.667 -15.662 6.393 1.00 0.00 C ATOM 0 H THR A 95 -2.381 -13.093 3.592 1.00 0.00 H new ATOM 0 HA THR A 95 -2.147 -15.951 4.036 1.00 0.00 H new ATOM 0 HB THR A 95 -3.456 -13.693 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.297 -13.532 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.728 -15.323 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.673 -15.782 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.144 -16.618 6.355 1.00 0.00 H new ATOM 1503 N THR A 96 -4.926 -14.477 3.090 1.00 0.00 N ATOM 1504 CA THR A 96 -6.269 -14.710 2.576 1.00 0.00 C ATOM 1505 C THR A 96 -6.257 -14.878 1.061 1.00 0.00 C ATOM 1506 O THR A 96 -6.601 -15.940 0.541 1.00 0.00 O ATOM 1507 CB THR A 96 -7.220 -13.555 2.945 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.176 -13.317 4.356 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.646 -13.872 2.523 1.00 0.00 C ATOM 0 H THR A 96 -4.613 -13.508 3.028 1.00 0.00 H new ATOM 0 HA THR A 96 -6.629 -15.629 3.038 1.00 0.00 H new ATOM 0 HB THR A 96 -6.892 -12.660 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.427 -12.720 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.299 -13.042 2.794 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.681 -14.024 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.982 -14.778 3.028 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.858 -13.825 0.357 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.802 -13.856 -1.100 1.00 0.00 C ATOM 1519 C TYR A 97 -4.366 -14.022 -1.587 1.00 0.00 C ATOM 1520 O TYR A 97 -3.976 -13.460 -2.610 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.404 -12.576 -1.682 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.624 -12.086 -0.934 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.843 -12.743 -1.046 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.556 -10.966 -0.113 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.959 -12.299 -0.365 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.668 -10.516 0.573 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.867 -11.185 0.443 1.00 0.00 C ATOM 1528 OH TYR A 97 -10.976 -10.740 1.124 1.00 0.00 O ATOM 0 H TYR A 97 -5.568 -12.939 0.771 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.384 -14.712 -1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.646 -11.793 -1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.673 -12.752 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.919 -13.616 -1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.619 -10.439 -0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.899 -12.821 -0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.599 -9.645 1.208 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.741 -9.946 1.648 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.583 -14.800 -0.845 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.198 -15.028 -1.216 1.00 0.00 C ATOM 1540 C GLY A 98 -2.062 -15.974 -2.393 1.00 0.00 C ATOM 1541 O GLY A 98 -1.573 -15.588 -3.455 1.00 0.00 O ATOM 0 H GLY A 98 -3.883 -15.276 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.730 -14.075 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.658 -15.436 -0.361 1.00 0.00 H new ATOM 1545 N SER A 99 -2.493 -17.217 -2.204 1.00 0.00 N ATOM 1546 CA SER A 99 -2.411 -18.222 -3.257 1.00 0.00 C ATOM 1547 C SER A 99 -2.803 -17.629 -4.607 1.00 0.00 C ATOM 1548 O SER A 99 -2.009 -17.620 -5.547 1.00 0.00 O ATOM 1549 CB SER A 99 -3.316 -19.411 -2.927 1.00 0.00 C ATOM 1550 OG SER A 99 -2.809 -20.148 -1.828 1.00 0.00 O ATOM 0 H SER A 99 -2.902 -17.552 -1.332 1.00 0.00 H new ATOM 0 HA SER A 99 -1.378 -18.566 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.320 -19.055 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.399 -20.061 -3.798 1.00 0.00 H new ATOM 0 HG SER A 99 -3.406 -20.901 -1.636 1.00 0.00 H new ATOM 1556 N ARG A 100 -4.033 -17.134 -4.693 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.532 -16.540 -5.927 1.00 0.00 C ATOM 1558 C ARG A 100 -3.553 -15.500 -6.465 1.00 0.00 C ATOM 1559 O ARG A 100 -3.298 -15.437 -7.667 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.899 -15.894 -5.691 1.00 0.00 C ATOM 1561 CG ARG A 100 -7.066 -16.844 -5.906 1.00 0.00 C ATOM 1562 CD ARG A 100 -8.375 -16.089 -6.075 1.00 0.00 C ATOM 1563 NE ARG A 100 -9.532 -16.921 -5.756 1.00 0.00 N ATOM 1564 CZ ARG A 100 -10.790 -16.519 -5.903 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -11.051 -15.304 -6.362 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -11.789 -17.335 -5.591 1.00 0.00 N ATOM 0 H ARG A 100 -4.702 -17.132 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.635 -17.334 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.938 -15.508 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.008 -15.040 -6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.881 -17.456 -6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.144 -17.524 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.372 -15.210 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.457 -15.732 -7.101 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.365 -17.863 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.285 -14.675 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.018 -14.998 -6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.591 -18.271 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.754 -17.026 -5.704 1.00 0.00 H new ATOM 1580 N ALA A 101 -3.009 -14.687 -5.566 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.057 -13.652 -5.949 1.00 0.00 C ATOM 1582 C ALA A 101 -0.982 -14.210 -6.875 1.00 0.00 C ATOM 1583 O ALA A 101 -0.497 -13.515 -7.768 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.422 -13.034 -4.712 1.00 0.00 C ATOM 0 H ALA A 101 -3.211 -14.725 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.600 -12.877 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.713 -12.263 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.198 -12.590 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.899 -13.806 -4.147 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.613 -15.468 -6.655 1.00 0.00 N ATOM 1591 CA GLN A 102 0.407 -16.118 -7.469 1.00 0.00 C ATOM 1592 C GLN A 102 -0.163 -16.543 -8.818 1.00 0.00 C ATOM 1593 O GLN A 102 0.546 -16.567 -9.825 1.00 0.00 O ATOM 1594 CB GLN A 102 0.976 -17.334 -6.736 1.00 0.00 C ATOM 1595 CG GLN A 102 1.739 -16.979 -5.470 1.00 0.00 C ATOM 1596 CD GLN A 102 3.046 -16.266 -5.757 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.734 -16.575 -6.730 1.00 0.00 O ATOM 1598 NE2 GLN A 102 3.396 -15.307 -4.908 1.00 0.00 N ATOM 0 H GLN A 102 -1.005 -16.057 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 102 1.209 -15.400 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.159 -18.009 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.639 -17.877 -7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.115 -16.346 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.942 -17.889 -4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.795 -15.084 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.266 -14.793 -5.049 1.00 0.00 H new ATOM 1607 N THR A 103 -1.449 -16.879 -8.832 1.00 0.00 N ATOM 1608 CA THR A 103 -2.115 -17.305 -10.057 1.00 0.00 C ATOM 1609 C THR A 103 -3.464 -16.615 -10.218 1.00 0.00 C ATOM 1610 O THR A 103 -4.513 -17.252 -10.126 1.00 0.00 O ATOM 1611 CB THR A 103 -2.326 -18.831 -10.080 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.156 -19.228 -8.982 1.00 0.00 O ATOM 1613 CG2 THR A 103 -0.994 -19.563 -10.005 1.00 0.00 C ATOM 0 H THR A 103 -2.051 -16.864 -8.008 1.00 0.00 H new ATOM 0 HA THR A 103 -1.465 -17.023 -10.885 1.00 0.00 H new ATOM 0 HB THR A 103 -2.815 -19.093 -11.018 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.023 -18.776 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.169 -20.639 -10.023 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.376 -19.282 -10.857 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.482 -19.294 -9.081 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.430 -15.308 -10.460 1.00 0.00 N ATOM 1622 CA ALA A 104 -4.651 -14.532 -10.637 1.00 0.00 C ATOM 1623 C ALA A 104 -4.362 -13.207 -11.333 1.00 0.00 C ATOM 1624 O ALA A 104 -3.251 -12.679 -11.280 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.321 -14.289 -9.292 1.00 0.00 C ATOM 0 H ALA A 104 -2.570 -14.765 -10.538 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.329 -15.105 -11.270 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.232 -13.708 -9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.570 -15.245 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.641 -13.739 -8.641 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.385 -12.655 -12.003 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.265 -11.384 -12.724 1.00 0.00 C ATOM 1633 C PRO A 105 -5.113 -10.195 -11.781 1.00 0.00 C ATOM 1634 O PRO A 105 -5.272 -10.311 -10.566 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.583 -11.288 -13.497 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.544 -12.111 -12.710 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.737 -13.228 -12.109 1.00 0.00 C ATOM 0 HA PRO A 105 -4.380 -11.358 -13.359 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.920 -10.255 -13.578 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.475 -11.668 -14.513 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.024 -11.515 -11.934 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.337 -12.502 -13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.125 -13.525 -11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.748 -14.116 -12.740 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.798 -9.023 -12.352 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.618 -7.789 -11.580 1.00 0.00 C ATOM 1647 C PRO A 106 -5.932 -7.269 -11.006 1.00 0.00 C ATOM 1648 O PRO A 106 -5.947 -6.306 -10.238 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.057 -6.805 -12.609 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.542 -7.313 -13.923 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.593 -8.811 -13.794 1.00 0.00 C ATOM 0 HA PRO A 106 -3.970 -7.939 -10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.411 -5.791 -12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.968 -6.774 -12.574 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.526 -6.908 -14.159 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.872 -7.013 -14.729 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.406 -9.237 -14.382 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.670 -9.276 -14.141 1.00 0.00 H new ATOM 1659 N TYR A 107 -7.032 -7.910 -11.383 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.351 -7.510 -10.907 1.00 0.00 C ATOM 1661 C TYR A 107 -9.148 -8.720 -10.428 1.00 0.00 C ATOM 1662 O TYR A 107 -10.340 -8.842 -10.708 1.00 0.00 O ATOM 1663 CB TYR A 107 -9.118 -6.786 -12.014 1.00 0.00 C ATOM 1664 CG TYR A 107 -8.927 -5.286 -12.002 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.655 -4.728 -12.047 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -10.017 -4.427 -11.945 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -7.475 -3.358 -12.035 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -9.847 -3.056 -11.935 1.00 0.00 C ATOM 1669 CZ TYR A 107 -8.575 -2.527 -11.980 1.00 0.00 C ATOM 1670 OH TYR A 107 -8.401 -1.162 -11.968 1.00 0.00 O ATOM 0 H TYR A 107 -7.037 -8.709 -12.017 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.215 -6.831 -10.065 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.799 -7.177 -12.980 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.180 -7.009 -11.914 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.792 -5.376 -12.092 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.015 -4.838 -11.908 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.480 -2.940 -12.068 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.706 -2.403 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.275 -0.721 -11.928 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.479 -9.612 -9.704 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.124 -10.811 -9.184 1.00 0.00 C ATOM 1682 C ALA A 108 -9.618 -10.594 -7.758 1.00 0.00 C ATOM 1683 O ALA A 108 -10.713 -11.025 -7.398 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.166 -11.992 -9.239 1.00 0.00 C ATOM 0 H ALA A 108 -7.491 -9.527 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 108 -9.989 -11.029 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.661 -12.881 -8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.866 -12.169 -10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.284 -11.773 -8.637 1.00 0.00 H new ATOM 1690 N MET A 109 -8.803 -9.924 -6.950 1.00 0.00 N ATOM 1691 CA MET A 109 -9.158 -9.650 -5.562 1.00 0.00 C ATOM 1692 C MET A 109 -9.161 -8.149 -5.288 1.00 0.00 C ATOM 1693 O MET A 109 -8.657 -7.696 -4.262 1.00 0.00 O ATOM 1694 CB MET A 109 -8.182 -10.351 -4.615 1.00 0.00 C ATOM 1695 CG MET A 109 -6.729 -9.974 -4.851 1.00 0.00 C ATOM 1696 SD MET A 109 -6.014 -10.819 -6.274 1.00 0.00 S ATOM 1697 CE MET A 109 -5.536 -12.379 -5.536 1.00 0.00 C ATOM 0 H MET A 109 -7.893 -9.561 -7.232 1.00 0.00 H new ATOM 0 HA MET A 109 -10.162 -10.036 -5.387 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.449 -10.108 -3.586 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.292 -11.430 -4.727 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.657 -8.897 -4.999 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.147 -10.213 -3.961 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.967 -12.964 -6.258 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.921 -12.192 -4.656 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.429 -12.932 -5.244 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.731 -7.384 -6.213 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.798 -5.934 -6.071 1.00 0.00 C ATOM 1709 C ASN A 110 -11.009 -5.525 -5.237 1.00 0.00 C ATOM 1710 O ASN A 110 -10.900 -4.699 -4.331 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.865 -5.268 -7.447 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.192 -5.506 -8.141 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.328 -6.664 -8.777 1.00 0.00 O flip ATOM 1714 ND2 ASN A 110 -12.084 -4.658 -8.105 1.00 0.00 N flip ATOM 0 H ASN A 110 -10.153 -7.744 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.896 -5.602 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.703 -4.196 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.058 -5.650 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.935 -3.782 -7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -12.972 -4.831 -8.576 1.00 0.00 H new ATOM 1721 N SER A 111 -12.161 -6.110 -5.549 1.00 0.00 N ATOM 1722 CA SER A 111 -13.392 -5.804 -4.831 1.00 0.00 C ATOM 1723 C SER A 111 -13.276 -6.197 -3.361 1.00 0.00 C ATOM 1724 O SER A 111 -13.306 -5.344 -2.476 1.00 0.00 O ATOM 1725 CB SER A 111 -14.576 -6.530 -5.473 1.00 0.00 C ATOM 1726 OG SER A 111 -15.774 -6.285 -4.757 1.00 0.00 O ATOM 0 H SER A 111 -12.267 -6.798 -6.294 1.00 0.00 H new ATOM 0 HA SER A 111 -13.560 -4.729 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.692 -6.201 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.378 -7.601 -5.501 1.00 0.00 H new ATOM 0 HG SER A 111 -16.516 -6.759 -5.188 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.144 -7.497 -3.112 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.025 -8.004 -1.750 1.00 0.00 C ATOM 1734 C GLU A 112 -11.990 -7.207 -0.961 1.00 0.00 C ATOM 1735 O GLU A 112 -12.285 -6.672 0.108 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.640 -9.485 -1.766 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.765 -10.401 -2.217 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.311 -10.026 -3.581 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -13.504 -9.873 -4.521 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.545 -9.885 -3.709 1.00 0.00 O ATOM 0 H GLU A 112 -13.117 -8.216 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.993 -7.892 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.784 -9.622 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.321 -9.780 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.403 -11.429 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.572 -10.367 -1.485 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.776 -7.132 -1.497 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.696 -6.402 -0.843 1.00 0.00 C ATOM 1749 C PHE A 113 -10.041 -4.921 -0.712 1.00 0.00 C ATOM 1750 O PHE A 113 -9.765 -4.296 0.311 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.393 -6.566 -1.628 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.161 -6.436 -0.779 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.006 -7.205 0.363 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.158 -5.543 -1.122 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.873 -7.088 1.146 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.023 -5.422 -0.343 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.881 -6.195 0.793 1.00 0.00 C ATOM 0 H PHE A 113 -10.516 -7.567 -2.382 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.565 -6.816 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.390 -7.543 -2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.359 -5.818 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.780 -7.904 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.265 -4.935 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.764 -7.694 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.248 -4.724 -0.622 1.00 0.00 H new ATOM 0 HZ PHE A 113 -3.995 -6.101 1.404 1.00 0.00 H new ATOM 1767 N SER A 114 -10.648 -4.367 -1.757 1.00 0.00 N ATOM 1768 CA SER A 114 -11.027 -2.959 -1.762 1.00 0.00 C ATOM 1769 C SER A 114 -11.814 -2.604 -0.504 1.00 0.00 C ATOM 1770 O SER A 114 -11.587 -1.562 0.110 1.00 0.00 O ATOM 1771 CB SER A 114 -11.860 -2.638 -3.005 1.00 0.00 C ATOM 1772 OG SER A 114 -11.030 -2.262 -4.091 1.00 0.00 O ATOM 0 H SER A 114 -10.888 -4.872 -2.610 1.00 0.00 H new ATOM 0 HA SER A 114 -10.115 -2.363 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.456 -3.508 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.558 -1.832 -2.781 1.00 0.00 H new ATOM 0 HG SER A 114 -10.714 -3.065 -4.555 1.00 0.00 H new ATOM 1778 N SER A 115 -12.740 -3.480 -0.126 1.00 0.00 N ATOM 1779 CA SER A 115 -13.564 -3.258 1.057 1.00 0.00 C ATOM 1780 C SER A 115 -12.736 -3.403 2.330 1.00 0.00 C ATOM 1781 O SER A 115 -12.770 -2.541 3.208 1.00 0.00 O ATOM 1782 CB SER A 115 -14.734 -4.243 1.080 1.00 0.00 C ATOM 1783 OG SER A 115 -15.564 -4.022 2.208 1.00 0.00 O ATOM 0 H SER A 115 -12.938 -4.349 -0.621 1.00 0.00 H new ATOM 0 HA SER A 115 -13.955 -2.241 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.320 -4.138 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.354 -5.264 1.099 1.00 0.00 H new ATOM 0 HG SER A 115 -16.305 -4.663 2.199 1.00 0.00 H new ATOM 1789 N VAL A 116 -11.994 -4.502 2.424 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.156 -4.762 3.588 1.00 0.00 C ATOM 1791 C VAL A 116 -10.194 -3.606 3.842 1.00 0.00 C ATOM 1792 O VAL A 116 -10.029 -3.160 4.978 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.346 -6.061 3.419 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.456 -6.297 4.629 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.277 -7.243 3.193 1.00 0.00 C ATOM 0 H VAL A 116 -11.956 -5.227 1.707 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.825 -4.869 4.442 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.706 -5.958 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.892 -7.219 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.765 -5.462 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.073 -6.379 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.688 -8.153 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.943 -7.350 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.867 -7.074 2.292 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.563 -3.125 2.777 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.617 -2.019 2.884 1.00 0.00 C ATOM 1807 C LEU A 117 -9.299 -0.770 3.433 1.00 0.00 C ATOM 1808 O LEU A 117 -8.853 -0.193 4.424 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.998 -1.718 1.518 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.815 -2.596 1.108 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.381 -2.277 -0.314 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.655 -2.413 2.075 1.00 0.00 C ATOM 0 H LEU A 117 -9.689 -3.483 1.830 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.828 -2.313 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.776 -1.814 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.672 -0.678 1.510 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.131 -3.638 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.538 -2.912 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.210 -2.460 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.083 -1.230 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.822 -3.045 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.339 -1.370 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.971 -2.693 3.080 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.382 -0.360 2.782 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.128 0.818 3.208 1.00 0.00 C ATOM 1826 C ALA A 118 -11.366 0.803 4.714 1.00 0.00 C ATOM 1827 O ALA A 118 -11.192 1.817 5.389 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.453 0.901 2.463 1.00 0.00 C ATOM 0 H ALA A 118 -10.763 -0.826 1.958 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.533 1.700 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.000 1.785 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.264 0.967 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.045 0.010 2.673 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.764 -0.353 5.234 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.024 -0.499 6.661 1.00 0.00 C ATOM 1836 C ALA A 119 -10.753 -0.281 7.475 1.00 0.00 C ATOM 1837 O ALA A 119 -10.782 0.361 8.525 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.610 -1.873 6.952 1.00 0.00 C ATOM 0 H ALA A 119 -11.913 -1.202 4.689 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.747 0.262 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.799 -1.969 8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.546 -1.993 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.905 -2.643 6.638 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.642 -0.820 6.985 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.361 -0.684 7.670 1.00 0.00 C ATOM 1846 C GLN A 120 -7.944 0.780 7.758 1.00 0.00 C ATOM 1847 O GLN A 120 -7.445 1.234 8.789 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.283 -1.492 6.945 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.370 -2.988 7.199 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.213 -3.341 8.665 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -8.309 -3.270 9.412 1.00 0.00 O flip ATOM 1852 NE2 GLN A 120 -6.119 -3.673 9.122 1.00 0.00 N flip ATOM 0 H GLN A 120 -9.602 -1.355 6.117 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.475 -1.071 8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.362 -1.309 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.302 -1.135 7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.331 -3.358 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.597 -3.496 6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.303 -3.714 8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -6.029 -3.907 10.111 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.149 1.515 6.670 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.793 2.929 6.624 1.00 0.00 C ATOM 1863 C LEU A 121 -8.761 3.762 7.458 1.00 0.00 C ATOM 1864 O LEU A 121 -8.356 4.453 8.393 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.790 3.427 5.178 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.460 3.317 4.432 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.695 3.190 2.935 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.577 4.518 4.736 1.00 0.00 C ATOM 0 H LEU A 121 -8.560 1.155 5.808 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.793 3.040 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.543 2.869 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.100 4.472 5.174 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.947 2.418 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.737 3.113 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.287 2.297 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.230 4.069 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.635 4.423 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.084 5.431 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.379 4.562 5.807 1.00 0.00 H new ATOM 1880 N LYS A 122 -10.043 3.689 7.116 1.00 0.00 N ATOM 1881 CA LYS A 122 -11.071 4.433 7.835 1.00 0.00 C ATOM 1882 C LYS A 122 -10.842 4.360 9.341 1.00 0.00 C ATOM 1883 O LYS A 122 -10.900 5.374 10.038 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.459 3.887 7.492 1.00 0.00 C ATOM 1885 CG LYS A 122 -13.554 4.938 7.538 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.746 5.602 6.185 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.993 6.473 6.164 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.239 5.658 6.130 1.00 0.00 N ATOM 0 H LYS A 122 -10.395 3.122 6.345 1.00 0.00 H new ATOM 0 HA LYS A 122 -11.012 5.477 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.431 3.447 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.707 3.085 8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -14.490 4.477 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -13.304 5.693 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -12.872 6.210 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.821 4.838 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.003 7.114 7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.964 7.128 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -17.054 6.277 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.168 4.946 5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.366 5.180 7.045 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.580 3.155 9.838 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.340 2.951 11.262 1.00 0.00 C ATOM 1904 C HIS A 123 -9.025 3.595 11.689 1.00 0.00 C ATOM 1905 O HIS A 123 -9.010 4.518 12.505 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.320 1.457 11.588 1.00 0.00 C ATOM 1907 CG HIS A 123 -11.677 0.884 11.855 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -12.011 -0.423 11.570 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -12.787 1.447 12.387 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -13.269 -0.638 11.912 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -13.762 0.481 12.411 1.00 0.00 N ATOM 0 H HIS A 123 -10.529 2.306 9.276 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.152 3.425 11.814 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -9.864 0.918 10.757 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.687 1.292 12.460 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -12.887 2.467 12.729 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -13.803 -1.570 11.802 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.713 0.607 12.758 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.922 3.103 11.133 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.602 3.631 11.457 1.00 0.00 C ATOM 1922 C HIS A 124 -6.641 5.151 11.586 1.00 0.00 C ATOM 1923 O HIS A 124 -6.123 5.715 12.550 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.590 3.225 10.385 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.175 3.204 10.874 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.576 4.281 11.493 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -3.239 2.227 10.835 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -2.333 3.968 11.811 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -2.103 2.727 11.424 1.00 0.00 N ATOM 0 H HIS A 124 -7.917 2.340 10.456 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.295 3.210 12.415 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.850 2.236 10.008 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.665 3.916 9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.362 1.238 10.418 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -1.625 4.617 12.304 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -1.225 2.222 11.543 1.00 0.00 H new ATOM 1938 N SER A 125 -7.257 5.807 10.609 1.00 0.00 N ATOM 1939 CA SER A 125 -7.360 7.262 10.611 1.00 0.00 C ATOM 1940 C SER A 125 -8.715 7.710 11.151 1.00 0.00 C ATOM 1941 O SER A 125 -9.605 6.892 11.381 1.00 0.00 O ATOM 1942 CB SER A 125 -7.154 7.811 9.198 1.00 0.00 C ATOM 1943 OG SER A 125 -8.310 7.617 8.402 1.00 0.00 O ATOM 0 H SER A 125 -7.693 5.355 9.805 1.00 0.00 H new ATOM 0 HA SER A 125 -6.580 7.656 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.917 8.874 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.301 7.316 8.733 1.00 0.00 H new ATOM 0 HG SER A 125 -8.475 6.657 8.293 1.00 0.00 H new ATOM 1949 N SER A 126 -8.863 9.016 11.350 1.00 0.00 N ATOM 1950 CA SER A 126 -10.107 9.575 11.867 1.00 0.00 C ATOM 1951 C SER A 126 -11.255 9.337 10.891 1.00 0.00 C ATOM 1952 O SER A 126 -12.352 8.948 11.288 1.00 0.00 O ATOM 1953 CB SER A 126 -9.948 11.073 12.129 1.00 0.00 C ATOM 1954 OG SER A 126 -8.984 11.314 13.140 1.00 0.00 O ATOM 0 H SER A 126 -8.137 9.707 11.161 1.00 0.00 H new ATOM 0 HA SER A 126 -10.340 9.073 12.806 1.00 0.00 H new ATOM 0 HB2 SER A 126 -9.649 11.577 11.210 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.907 11.497 12.428 1.00 0.00 H new ATOM 0 HG SER A 126 -8.899 12.279 13.288 1.00 0.00 H new ATOM 1960 N GLY A 127 -10.993 9.574 9.609 1.00 0.00 N ATOM 1961 CA GLY A 127 -12.013 9.381 8.595 1.00 0.00 C ATOM 1962 C GLY A 127 -12.579 10.691 8.084 1.00 0.00 C ATOM 1963 O GLY A 127 -13.659 11.123 8.485 1.00 0.00 O ATOM 0 H GLY A 127 -10.092 9.896 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.590 8.822 7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -12.821 8.776 9.007 1.00 0.00 H new ATOM 1967 N PRO A 128 -11.838 11.348 7.179 1.00 0.00 N ATOM 1968 CA PRO A 128 -12.251 12.627 6.595 1.00 0.00 C ATOM 1969 C PRO A 128 -13.443 12.477 5.655 1.00 0.00 C ATOM 1970 O PRO A 128 -13.822 11.363 5.292 1.00 0.00 O ATOM 1971 CB PRO A 128 -11.012 13.080 5.819 1.00 0.00 C ATOM 1972 CG PRO A 128 -10.282 11.820 5.502 1.00 0.00 C ATOM 1973 CD PRO A 128 -10.539 10.891 6.656 1.00 0.00 C ATOM 0 HA PRO A 128 -12.577 13.336 7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -11.288 13.617 4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -10.397 13.755 6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -10.637 11.388 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -9.215 12.007 5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -10.579 9.851 6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -9.755 10.961 7.410 1.00 0.00 H new ATOM 1981 N SER A 129 -14.029 13.604 5.265 1.00 0.00 N ATOM 1982 CA SER A 129 -15.180 13.597 4.370 1.00 0.00 C ATOM 1983 C SER A 129 -14.974 14.570 3.213 1.00 0.00 C ATOM 1984 O SER A 129 -14.232 15.545 3.332 1.00 0.00 O ATOM 1985 CB SER A 129 -16.452 13.962 5.138 1.00 0.00 C ATOM 1986 OG SER A 129 -16.644 13.100 6.246 1.00 0.00 O ATOM 0 H SER A 129 -13.726 14.534 5.555 1.00 0.00 H new ATOM 0 HA SER A 129 -15.286 12.592 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 129 -16.389 14.994 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 129 -17.313 13.901 4.472 1.00 0.00 H new ATOM 0 HG SER A 129 -17.462 13.355 6.721 1.00 0.00 H new ATOM 1992 N SER A 130 -15.637 14.297 2.094 1.00 0.00 N ATOM 1993 CA SER A 130 -15.524 15.145 0.913 1.00 0.00 C ATOM 1994 C SER A 130 -16.649 16.175 0.874 1.00 0.00 C ATOM 1995 O SER A 130 -16.405 17.373 0.737 1.00 0.00 O ATOM 1996 CB SER A 130 -15.554 14.293 -0.358 1.00 0.00 C ATOM 1997 OG SER A 130 -15.366 15.092 -1.513 1.00 0.00 O ATOM 0 H SER A 130 -16.258 13.496 1.980 1.00 0.00 H new ATOM 0 HA SER A 130 -14.572 15.673 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 130 -14.775 13.532 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 130 -16.507 13.769 -0.426 1.00 0.00 H new ATOM 0 HG SER A 130 -15.388 14.524 -2.311 1.00 0.00 H new ATOM 2003 N GLY A 131 -17.884 15.698 0.996 1.00 0.00 N ATOM 2004 CA GLY A 131 -19.029 16.589 0.973 1.00 0.00 C ATOM 2005 C GLY A 131 -19.919 16.359 -0.232 1.00 0.00 C ATOM 2006 O GLY A 131 -20.046 17.229 -1.094 1.00 0.00 O ATOM 0 H GLY A 131 -18.112 14.710 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -19.612 16.450 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -18.681 17.622 0.972 1.00 0.00 H new TER 2010 GLY A 131