USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 706 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 56 ASN : amide:sc= -1.44 K(o=-1.9,f=-0.11) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.435 X(o=-1.9,f=-1.6) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.3!) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc=-0.00255 (180deg=-0.0194) USER MOD Single : A 43 SER OG : rot 127:sc= 1.32 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.2!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.45) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0545 (180deg=-0.363) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -165:sc= -1.27 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc=-0.00864 (180deg=-0.633) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 76 SER OG : rot 52:sc= 0.35 USER MOD Single : A 77 THR OG1 : rot -167:sc= -1.44 USER MOD Single : A 80 ASN : amide:sc= -2.52 K(o=-2.5,f=-0.61) USER MOD Single : A 83 CYS SG : rot -121:sc= 0.359 USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.269 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0487 X(o=-0.049,f=0.43) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.71) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -9.335 -13.635 -5.893 1.00 0.00 N ATOM 16 CA SER A 27 -8.105 -13.654 -6.682 1.00 0.00 C ATOM 17 C SER A 27 -7.556 -12.243 -6.862 1.00 0.00 C ATOM 18 O SER A 27 -6.451 -11.936 -6.415 1.00 0.00 O ATOM 19 CB SER A 27 -8.350 -14.298 -8.049 1.00 0.00 C ATOM 20 OG SER A 27 -7.139 -14.764 -8.618 1.00 0.00 O ATOM 0 HA SER A 27 -7.369 -14.248 -6.141 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.049 -15.128 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.814 -13.573 -8.718 1.00 0.00 H new ATOM 0 HG SER A 27 -7.323 -15.172 -9.490 1.00 0.00 H new ATOM 25 N LYS A 28 -8.332 -11.388 -7.520 1.00 0.00 N ATOM 26 CA LYS A 28 -7.918 -10.011 -7.757 1.00 0.00 C ATOM 27 C LYS A 28 -8.715 -9.044 -6.888 1.00 0.00 C ATOM 28 O LYS A 28 -9.945 -9.094 -6.851 1.00 0.00 O ATOM 29 CB LYS A 28 -8.094 -9.651 -9.233 1.00 0.00 C ATOM 30 CG LYS A 28 -7.411 -10.622 -10.181 1.00 0.00 C ATOM 31 CD LYS A 28 -8.365 -11.707 -10.652 1.00 0.00 C ATOM 32 CE LYS A 28 -9.158 -11.261 -11.872 1.00 0.00 C ATOM 33 NZ LYS A 28 -9.955 -12.375 -12.454 1.00 0.00 N ATOM 0 H LYS A 28 -9.249 -11.624 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.864 -9.925 -7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.158 -9.617 -9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.698 -8.650 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.023 -10.078 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.557 -11.079 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.802 -12.609 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.051 -11.965 -9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.825 -10.445 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.475 -10.871 -12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.480 -12.030 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.317 -13.144 -12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.625 -12.731 -11.743 1.00 0.00 H new ATOM 47 N GLN A 29 -8.005 -8.159 -6.195 1.00 0.00 N ATOM 48 CA GLN A 29 -8.642 -7.174 -5.331 1.00 0.00 C ATOM 49 C GLN A 29 -7.970 -5.818 -5.488 1.00 0.00 C ATOM 50 O GLN A 29 -6.755 -5.734 -5.670 1.00 0.00 O ATOM 51 CB GLN A 29 -8.590 -7.626 -3.871 1.00 0.00 C ATOM 52 CG GLN A 29 -9.883 -7.378 -3.112 1.00 0.00 C ATOM 53 CD GLN A 29 -10.189 -8.471 -2.108 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.159 -9.215 -2.259 1.00 0.00 O ATOM 55 NE2 GLN A 29 -9.360 -8.575 -1.075 1.00 0.00 N ATOM 0 H GLN A 29 -6.987 -8.105 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.687 -7.082 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.357 -8.690 -3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.776 -7.105 -3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.818 -6.422 -2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.707 -7.300 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.569 -7.937 -0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.515 -9.293 -0.367 1.00 0.00 H new ATOM 64 N GLU A 30 -8.766 -4.757 -5.433 1.00 0.00 N ATOM 65 CA GLU A 30 -8.239 -3.411 -5.587 1.00 0.00 C ATOM 66 C GLU A 30 -8.821 -2.456 -4.549 1.00 0.00 C ATOM 67 O GLU A 30 -10.021 -2.476 -4.272 1.00 0.00 O ATOM 68 CB GLU A 30 -8.524 -2.903 -7.002 1.00 0.00 C ATOM 69 CG GLU A 30 -9.962 -2.457 -7.220 1.00 0.00 C ATOM 70 CD GLU A 30 -10.514 -2.902 -8.560 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.770 -4.113 -8.723 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.689 -2.039 -9.447 1.00 0.00 O ATOM 0 H GLU A 30 -9.774 -4.804 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.162 -3.448 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.858 -2.067 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.287 -3.692 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.588 -2.858 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.016 -1.370 -7.152 1.00 0.00 H new ATOM 79 N LEU A 31 -7.959 -1.617 -3.984 1.00 0.00 N ATOM 80 CA LEU A 31 -8.374 -0.644 -2.982 1.00 0.00 C ATOM 81 C LEU A 31 -8.178 0.776 -3.504 1.00 0.00 C ATOM 82 O LEU A 31 -7.049 1.229 -3.686 1.00 0.00 O ATOM 83 CB LEU A 31 -7.580 -0.841 -1.690 1.00 0.00 C ATOM 84 CG LEU A 31 -7.718 -2.225 -1.049 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.350 -2.831 -0.779 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.528 -2.141 0.237 1.00 0.00 C ATOM 0 H LEU A 31 -6.964 -1.592 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.433 -0.796 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.526 -0.657 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.898 -0.089 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.247 -2.873 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.471 -3.814 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.804 -2.930 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.792 -2.184 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.615 -3.134 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.027 -1.475 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.523 -1.754 0.016 1.00 0.00 H new ATOM 98 N ILE A 32 -9.279 1.463 -3.752 1.00 0.00 N ATOM 99 CA ILE A 32 -9.232 2.832 -4.264 1.00 0.00 C ATOM 100 C ILE A 32 -8.850 3.822 -3.170 1.00 0.00 C ATOM 101 O ILE A 32 -9.478 3.868 -2.112 1.00 0.00 O ATOM 102 CB ILE A 32 -10.577 3.246 -4.875 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.709 3.076 -3.856 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.861 2.441 -6.134 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.539 4.318 -3.659 1.00 0.00 C ATOM 0 H ILE A 32 -10.221 1.099 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.468 2.851 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.521 4.300 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.359 2.263 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.282 2.780 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.819 2.748 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.071 2.617 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.896 1.380 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.320 4.121 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.902 5.128 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.996 4.604 -4.606 1.00 0.00 H new ATOM 117 N LEU A 33 -7.825 4.624 -3.441 1.00 0.00 N ATOM 118 CA LEU A 33 -7.369 5.634 -2.491 1.00 0.00 C ATOM 119 C LEU A 33 -7.210 6.981 -3.186 1.00 0.00 C ATOM 120 O LEU A 33 -7.499 7.114 -4.379 1.00 0.00 O ATOM 121 CB LEU A 33 -6.041 5.213 -1.846 1.00 0.00 C ATOM 122 CG LEU A 33 -5.759 3.712 -1.853 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.070 3.302 -3.146 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.913 3.326 -0.650 1.00 0.00 C ATOM 0 H LEU A 33 -7.294 4.594 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.120 5.728 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.227 5.721 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.030 5.563 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.710 3.182 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.878 2.229 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.712 3.544 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.126 3.839 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.721 2.253 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.966 3.865 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.445 3.583 0.266 1.00 0.00 H new ATOM 136 N VAL A 34 -6.760 7.986 -2.442 1.00 0.00 N ATOM 137 CA VAL A 34 -6.580 9.318 -3.004 1.00 0.00 C ATOM 138 C VAL A 34 -5.487 10.086 -2.276 1.00 0.00 C ATOM 139 O VAL A 34 -5.556 10.303 -1.069 1.00 0.00 O ATOM 140 CB VAL A 34 -7.887 10.138 -2.956 1.00 0.00 C ATOM 141 CG1 VAL A 34 -7.707 11.471 -3.666 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.034 9.348 -3.567 1.00 0.00 C ATOM 0 H VAL A 34 -6.515 7.904 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.287 9.177 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.131 10.340 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.638 12.035 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.915 12.039 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.438 11.295 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.947 9.941 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.801 9.113 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.176 8.423 -3.009 1.00 0.00 H new ATOM 152 N LEU A 35 -4.485 10.499 -3.037 1.00 0.00 N ATOM 153 CA LEU A 35 -3.369 11.252 -2.503 1.00 0.00 C ATOM 154 C LEU A 35 -3.753 12.718 -2.287 1.00 0.00 C ATOM 155 O LEU A 35 -4.770 13.184 -2.804 1.00 0.00 O ATOM 156 CB LEU A 35 -2.187 11.158 -3.452 1.00 0.00 C ATOM 157 CG LEU A 35 -0.840 10.830 -2.798 1.00 0.00 C ATOM 158 CD1 LEU A 35 0.050 10.070 -3.768 1.00 0.00 C ATOM 159 CD2 LEU A 35 -0.162 12.099 -2.308 1.00 0.00 C ATOM 0 H LEU A 35 -4.426 10.320 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.094 10.826 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.403 10.395 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.093 12.106 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.018 10.191 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.002 9.845 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.439 9.140 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.226 10.679 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.793 11.847 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.008 12.769 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.800 12.593 -1.575 1.00 0.00 H new ATOM 171 N LYS A 36 -2.937 13.432 -1.529 1.00 0.00 N ATOM 172 CA LYS A 36 -3.194 14.840 -1.251 1.00 0.00 C ATOM 173 C LYS A 36 -1.898 15.637 -1.275 1.00 0.00 C ATOM 174 O LYS A 36 -0.956 15.341 -0.544 1.00 0.00 O ATOM 175 CB LYS A 36 -3.874 15.004 0.110 1.00 0.00 C ATOM 176 CG LYS A 36 -3.169 14.258 1.235 1.00 0.00 C ATOM 177 CD LYS A 36 -3.375 14.952 2.572 1.00 0.00 C ATOM 178 CE LYS A 36 -2.653 16.288 2.619 1.00 0.00 C ATOM 179 NZ LYS A 36 -2.605 16.845 4.000 1.00 0.00 N ATOM 0 H LYS A 36 -2.091 13.063 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.858 15.221 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.918 16.064 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.902 14.650 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.547 13.237 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.103 14.191 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.440 15.106 2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.012 14.312 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.638 16.166 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.155 16.996 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.196 17.801 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.568 16.891 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.017 16.233 4.601 1.00 0.00 H new ATOM 193 N GLY A 37 -1.852 16.666 -2.128 1.00 0.00 N ATOM 194 CA GLY A 37 -0.669 17.485 -2.235 1.00 0.00 C ATOM 195 C GLY A 37 -0.483 18.404 -1.044 1.00 0.00 C ATOM 196 O GLY A 37 -1.148 19.431 -0.922 1.00 0.00 O ATOM 0 H GLY A 37 -2.619 16.939 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.206 16.842 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.727 18.083 -3.144 1.00 0.00 H new ATOM 200 N GLU A 38 0.427 18.020 -0.148 1.00 0.00 N ATOM 201 CA GLU A 38 0.693 18.821 1.055 1.00 0.00 C ATOM 202 C GLU A 38 2.146 19.284 1.084 1.00 0.00 C ATOM 203 O GLU A 38 3.037 18.551 1.514 1.00 0.00 O ATOM 204 CB GLU A 38 0.386 18.001 2.312 1.00 0.00 C ATOM 205 CG GLU A 38 1.027 16.620 2.306 1.00 0.00 C ATOM 206 CD GLU A 38 1.489 16.192 3.688 1.00 0.00 C ATOM 207 OE1 GLU A 38 0.992 16.759 4.684 1.00 0.00 O ATOM 208 OE2 GLU A 38 2.350 15.290 3.777 1.00 0.00 O ATOM 0 H GLU A 38 0.987 17.171 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 38 0.047 19.699 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.732 18.550 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.694 17.891 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.312 15.892 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.878 16.620 1.625 1.00 0.00 H new ATOM 215 N LEU A 39 2.374 20.500 0.612 1.00 0.00 N ATOM 216 CA LEU A 39 3.718 21.080 0.574 1.00 0.00 C ATOM 217 C LEU A 39 4.633 20.265 -0.335 1.00 0.00 C ATOM 218 O LEU A 39 4.863 20.645 -1.485 1.00 0.00 O ATOM 219 CB LEU A 39 4.310 21.141 1.994 1.00 0.00 C ATOM 220 CG LEU A 39 3.936 22.386 2.796 1.00 0.00 C ATOM 221 CD1 LEU A 39 3.786 22.046 4.270 1.00 0.00 C ATOM 222 CD2 LEU A 39 4.965 23.487 2.594 1.00 0.00 C ATOM 0 H LEU A 39 1.644 21.112 0.247 1.00 0.00 H new ATOM 0 HA LEU A 39 3.643 22.091 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.983 20.260 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.396 21.087 1.921 1.00 0.00 H new ATOM 0 HG LEU A 39 2.976 22.753 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.519 22.945 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.003 21.298 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.728 21.651 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.678 24.364 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.943 23.137 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.013 23.751 1.538 1.00 0.00 H new ATOM 283 N SER A 43 4.482 12.239 -3.432 1.00 0.00 N ATOM 284 CA SER A 43 3.710 11.004 -3.306 1.00 0.00 C ATOM 285 C SER A 43 4.156 10.193 -2.091 1.00 0.00 C ATOM 286 O SER A 43 4.948 9.260 -2.209 1.00 0.00 O ATOM 287 CB SER A 43 3.850 10.160 -4.577 1.00 0.00 C ATOM 288 OG SER A 43 5.199 9.800 -4.804 1.00 0.00 O ATOM 0 HA SER A 43 2.664 11.276 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.240 9.261 -4.489 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.471 10.719 -5.432 1.00 0.00 H new ATOM 0 HG SER A 43 5.263 8.829 -4.923 1.00 0.00 H new ATOM 294 N LYS A 44 3.650 10.565 -0.922 1.00 0.00 N ATOM 295 CA LYS A 44 3.995 9.874 0.321 1.00 0.00 C ATOM 296 C LYS A 44 3.080 8.671 0.545 1.00 0.00 C ATOM 297 O LYS A 44 3.473 7.690 1.175 1.00 0.00 O ATOM 298 CB LYS A 44 3.902 10.832 1.511 1.00 0.00 C ATOM 299 CG LYS A 44 4.939 11.934 1.475 1.00 0.00 C ATOM 300 CD LYS A 44 5.632 12.094 2.823 1.00 0.00 C ATOM 301 CE LYS A 44 6.982 11.394 2.844 1.00 0.00 C ATOM 302 NZ LYS A 44 7.876 11.941 3.900 1.00 0.00 N ATOM 0 H LYS A 44 2.999 11.341 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 44 5.022 9.518 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.908 11.279 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.016 10.265 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.681 11.712 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.463 12.874 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.767 13.154 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.998 11.686 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.835 10.327 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.462 11.502 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.785 11.437 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.038 12.954 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.431 11.815 4.831 1.00 0.00 H new ATOM 316 N ASN A 45 1.858 8.756 0.028 1.00 0.00 N ATOM 317 CA ASN A 45 0.887 7.680 0.174 1.00 0.00 C ATOM 318 C ASN A 45 1.462 6.346 -0.294 1.00 0.00 C ATOM 319 O ASN A 45 1.283 5.319 0.361 1.00 0.00 O ATOM 320 CB ASN A 45 -0.387 7.999 -0.614 1.00 0.00 C ATOM 321 CG ASN A 45 -1.327 8.906 0.159 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.045 10.089 0.362 1.00 0.00 O ATOM 323 ND2 ASN A 45 -2.454 8.352 0.596 1.00 0.00 N ATOM 0 H ASN A 45 1.517 9.562 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 45 0.644 7.596 1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.119 8.475 -1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.902 7.070 -0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.126 8.910 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.646 7.369 0.405 1.00 0.00 H new ATOM 330 N MET A 46 2.153 6.366 -1.431 1.00 0.00 N ATOM 331 CA MET A 46 2.752 5.154 -1.978 1.00 0.00 C ATOM 332 C MET A 46 3.624 4.463 -0.935 1.00 0.00 C ATOM 333 O MET A 46 3.542 3.254 -0.741 1.00 0.00 O ATOM 334 CB MET A 46 3.571 5.479 -3.221 1.00 0.00 C ATOM 335 CG MET A 46 4.856 6.229 -2.935 1.00 0.00 C ATOM 336 SD MET A 46 5.689 6.798 -4.424 1.00 0.00 S ATOM 337 CE MET A 46 7.406 6.601 -3.953 1.00 0.00 C ATOM 0 H MET A 46 2.311 7.205 -1.989 1.00 0.00 H new ATOM 0 HA MET A 46 1.948 4.473 -2.258 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.812 4.550 -3.738 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.960 6.072 -3.901 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.635 7.087 -2.300 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.530 5.582 -2.374 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.047 6.914 -4.777 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.615 7.214 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.601 5.555 -3.719 1.00 0.00 H new ATOM 347 N LYS A 47 4.459 5.248 -0.264 1.00 0.00 N ATOM 348 CA LYS A 47 5.342 4.715 0.762 1.00 0.00 C ATOM 349 C LYS A 47 4.525 4.079 1.882 1.00 0.00 C ATOM 350 O LYS A 47 4.972 3.135 2.534 1.00 0.00 O ATOM 351 CB LYS A 47 6.230 5.822 1.327 1.00 0.00 C ATOM 352 CG LYS A 47 6.995 6.587 0.255 1.00 0.00 C ATOM 353 CD LYS A 47 8.179 7.336 0.856 1.00 0.00 C ATOM 354 CE LYS A 47 9.344 6.401 1.143 1.00 0.00 C ATOM 355 NZ LYS A 47 10.651 7.008 0.772 1.00 0.00 N ATOM 0 H LYS A 47 4.542 6.254 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 47 5.977 3.952 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.613 6.521 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.941 5.386 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.349 5.894 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.327 7.292 -0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.501 8.120 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.870 7.827 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.351 6.145 2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.207 5.471 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.418 6.338 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.655 7.229 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.795 7.882 1.317 1.00 0.00 H new ATOM 369 N ASN A 48 3.322 4.605 2.098 1.00 0.00 N ATOM 370 CA ASN A 48 2.434 4.085 3.130 1.00 0.00 C ATOM 371 C ASN A 48 1.865 2.732 2.721 1.00 0.00 C ATOM 372 O ASN A 48 1.650 1.861 3.565 1.00 0.00 O ATOM 373 CB ASN A 48 1.297 5.073 3.400 1.00 0.00 C ATOM 374 CG ASN A 48 1.027 5.252 4.885 1.00 0.00 C ATOM 375 OD1 ASN A 48 0.162 4.587 5.454 1.00 0.00 O ATOM 376 ND2 ASN A 48 1.766 6.151 5.515 1.00 0.00 N ATOM 0 H ASN A 48 2.941 5.391 1.571 1.00 0.00 H new ATOM 0 HA ASN A 48 3.013 3.954 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.546 6.039 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.390 4.722 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.629 6.315 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.472 6.680 5.003 1.00 0.00 H new ATOM 383 N VAL A 49 1.633 2.567 1.428 1.00 0.00 N ATOM 384 CA VAL A 49 1.093 1.317 0.906 1.00 0.00 C ATOM 385 C VAL A 49 2.097 0.186 1.081 1.00 0.00 C ATOM 386 O VAL A 49 1.769 -0.870 1.622 1.00 0.00 O ATOM 387 CB VAL A 49 0.725 1.435 -0.586 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.186 0.290 -1.001 1.00 0.00 C ATOM 389 CG2 VAL A 49 0.068 2.778 -0.873 1.00 0.00 C ATOM 0 H VAL A 49 1.809 3.280 0.720 1.00 0.00 H new ATOM 0 HA VAL A 49 0.188 1.099 1.473 1.00 0.00 H new ATOM 0 HB VAL A 49 1.642 1.374 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.436 0.389 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.324 -0.659 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.100 0.319 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.184 2.841 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.840 2.873 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.757 3.582 -0.615 1.00 0.00 H new ATOM 399 N ILE A 50 3.325 0.417 0.627 1.00 0.00 N ATOM 400 CA ILE A 50 4.380 -0.581 0.742 1.00 0.00 C ATOM 401 C ILE A 50 4.616 -0.947 2.204 1.00 0.00 C ATOM 402 O ILE A 50 4.993 -2.075 2.520 1.00 0.00 O ATOM 403 CB ILE A 50 5.700 -0.081 0.121 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.773 -1.172 0.189 1.00 0.00 C ATOM 405 CG2 ILE A 50 6.174 1.182 0.823 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.584 -1.301 -1.078 1.00 0.00 C ATOM 0 H ILE A 50 3.613 1.286 0.177 1.00 0.00 H new ATOM 0 HA ILE A 50 4.051 -1.464 0.195 1.00 0.00 H new ATOM 0 HB ILE A 50 5.520 0.157 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.445 -0.958 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.295 -2.128 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.107 1.521 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.418 1.960 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.338 0.971 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.324 -2.092 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.923 -1.546 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.091 -0.358 -1.283 1.00 0.00 H new ATOM 418 N ASN A 51 4.379 0.009 3.086 1.00 0.00 N ATOM 419 CA ASN A 51 4.560 -0.207 4.521 1.00 0.00 C ATOM 420 C ASN A 51 3.473 -1.136 5.055 1.00 0.00 C ATOM 421 O ASN A 51 3.757 -2.095 5.772 1.00 0.00 O ATOM 422 CB ASN A 51 4.529 1.121 5.269 1.00 0.00 C ATOM 423 CG ASN A 51 5.603 1.208 6.343 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.538 0.511 7.355 1.00 0.00 O ATOM 425 ND2 ASN A 51 6.594 2.059 6.119 1.00 0.00 N ATOM 0 H ASN A 51 4.060 0.946 2.838 1.00 0.00 H new ATOM 0 HA ASN A 51 5.532 -0.673 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.662 1.938 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.549 1.254 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.346 2.157 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.605 2.616 5.265 1.00 0.00 H new ATOM 432 N ASN A 52 2.226 -0.847 4.694 1.00 0.00 N ATOM 433 CA ASN A 52 1.098 -1.656 5.135 1.00 0.00 C ATOM 434 C ASN A 52 1.087 -2.995 4.408 1.00 0.00 C ATOM 435 O ASN A 52 0.725 -4.022 4.981 1.00 0.00 O ATOM 436 CB ASN A 52 -0.219 -0.915 4.890 1.00 0.00 C ATOM 437 CG ASN A 52 -0.518 0.105 5.968 1.00 0.00 C ATOM 438 OD1 ASN A 52 0.344 0.900 6.342 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.745 0.089 6.476 1.00 0.00 N ATOM 0 H ASN A 52 1.973 -0.059 4.098 1.00 0.00 H new ATOM 0 HA ASN A 52 1.204 -1.839 6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.176 -0.415 3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.035 -1.636 4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.004 0.753 7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.429 -0.587 6.137 1.00 0.00 H new ATOM 446 N ALA A 53 1.492 -2.975 3.142 1.00 0.00 N ATOM 447 CA ALA A 53 1.537 -4.187 2.336 1.00 0.00 C ATOM 448 C ALA A 53 2.569 -5.165 2.885 1.00 0.00 C ATOM 449 O ALA A 53 2.421 -6.381 2.753 1.00 0.00 O ATOM 450 CB ALA A 53 1.847 -3.845 0.887 1.00 0.00 C ATOM 0 H ALA A 53 1.793 -2.132 2.653 1.00 0.00 H new ATOM 0 HA ALA A 53 0.559 -4.665 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.878 -4.760 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.073 -3.186 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.813 -3.344 0.830 1.00 0.00 H new ATOM 456 N LYS A 54 3.613 -4.626 3.508 1.00 0.00 N ATOM 457 CA LYS A 54 4.669 -5.450 4.084 1.00 0.00 C ATOM 458 C LYS A 54 4.211 -6.066 5.401 1.00 0.00 C ATOM 459 O LYS A 54 4.451 -7.244 5.664 1.00 0.00 O ATOM 460 CB LYS A 54 5.935 -4.617 4.303 1.00 0.00 C ATOM 461 CG LYS A 54 7.166 -5.193 3.621 1.00 0.00 C ATOM 462 CD LYS A 54 7.861 -4.158 2.751 1.00 0.00 C ATOM 463 CE LYS A 54 8.919 -3.398 3.528 1.00 0.00 C ATOM 464 NZ LYS A 54 10.078 -4.264 3.875 1.00 0.00 N ATOM 0 H LYS A 54 3.750 -3.622 3.626 1.00 0.00 H new ATOM 0 HA LYS A 54 4.895 -6.255 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.764 -3.606 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.127 -4.536 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.862 -5.561 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.877 -6.048 3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.321 -4.651 1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.124 -3.458 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.264 -2.549 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.480 -2.995 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.912 -3.671 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.854 -4.819 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.278 -4.909 3.084 1.00 0.00 H new ATOM 478 N LYS A 55 3.547 -5.261 6.224 1.00 0.00 N ATOM 479 CA LYS A 55 3.048 -5.733 7.508 1.00 0.00 C ATOM 480 C LYS A 55 2.082 -6.891 7.324 1.00 0.00 C ATOM 481 O LYS A 55 2.042 -7.817 8.135 1.00 0.00 O ATOM 482 CB LYS A 55 2.360 -4.590 8.263 1.00 0.00 C ATOM 483 CG LYS A 55 3.323 -3.687 9.017 1.00 0.00 C ATOM 484 CD LYS A 55 3.341 -4.016 10.499 1.00 0.00 C ATOM 485 CE LYS A 55 4.211 -3.036 11.270 1.00 0.00 C ATOM 486 NZ LYS A 55 5.561 -3.595 11.559 1.00 0.00 N ATOM 0 H LYS A 55 3.343 -4.282 6.024 1.00 0.00 H new ATOM 0 HA LYS A 55 3.898 -6.085 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.792 -3.988 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.644 -5.012 8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.326 -3.797 8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.034 -2.645 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.325 -3.991 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.714 -5.030 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.315 -2.115 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.719 -2.774 12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.121 -2.895 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.464 -4.460 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.042 -3.821 10.665 1.00 0.00 H new ATOM 500 N ASN A 56 1.307 -6.836 6.246 1.00 0.00 N ATOM 501 CA ASN A 56 0.342 -7.887 5.945 1.00 0.00 C ATOM 502 C ASN A 56 1.056 -9.158 5.502 1.00 0.00 C ATOM 503 O ASN A 56 0.808 -10.240 6.034 1.00 0.00 O ATOM 504 CB ASN A 56 -0.627 -7.423 4.857 1.00 0.00 C ATOM 505 CG ASN A 56 -1.246 -6.076 5.171 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.389 -5.702 6.335 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.621 -5.339 4.132 1.00 0.00 N ATOM 0 H ASN A 56 1.328 -6.075 5.567 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.224 -8.103 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.099 -7.364 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.417 -8.164 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.046 -4.424 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.484 -5.688 3.183 1.00 0.00 H new ATOM 514 N LEU A 57 1.951 -9.019 4.527 1.00 0.00 N ATOM 515 CA LEU A 57 2.708 -10.157 4.014 1.00 0.00 C ATOM 516 C LEU A 57 3.393 -10.907 5.151 1.00 0.00 C ATOM 517 O LEU A 57 3.165 -12.102 5.354 1.00 0.00 O ATOM 518 CB LEU A 57 3.753 -9.683 3.001 1.00 0.00 C ATOM 519 CG LEU A 57 3.213 -9.413 1.594 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.861 -8.170 1.003 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.449 -10.617 0.694 1.00 0.00 C ATOM 0 H LEU A 57 2.169 -8.130 4.077 1.00 0.00 H new ATOM 0 HA LEU A 57 2.012 -10.835 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.215 -8.771 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.540 -10.435 2.934 1.00 0.00 H new ATOM 0 HG LEU A 57 2.139 -9.240 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.465 -7.994 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.643 -7.310 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.940 -8.314 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.059 -10.408 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.518 -10.820 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.939 -11.487 1.108 1.00 0.00 H new ATOM 533 N GLU A 58 4.233 -10.194 5.895 1.00 0.00 N ATOM 534 CA GLU A 58 4.950 -10.787 7.014 1.00 0.00 C ATOM 535 C GLU A 58 3.975 -11.303 8.067 1.00 0.00 C ATOM 536 O GLU A 58 4.280 -12.243 8.801 1.00 0.00 O ATOM 537 CB GLU A 58 5.904 -9.768 7.638 1.00 0.00 C ATOM 538 CG GLU A 58 7.164 -9.535 6.820 1.00 0.00 C ATOM 539 CD GLU A 58 8.400 -10.128 7.471 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.423 -11.356 7.691 1.00 0.00 O ATOM 541 OE2 GLU A 58 9.344 -9.363 7.758 1.00 0.00 O ATOM 0 H GLU A 58 4.432 -9.206 5.742 1.00 0.00 H new ATOM 0 HA GLU A 58 5.531 -11.628 6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.380 -8.820 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.185 -10.109 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.035 -9.971 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.310 -8.464 6.681 1.00 0.00 H new ATOM 548 N LYS A 59 2.798 -10.685 8.136 1.00 0.00 N ATOM 549 CA LYS A 59 1.782 -11.091 9.099 1.00 0.00 C ATOM 550 C LYS A 59 1.386 -12.547 8.877 1.00 0.00 C ATOM 551 O LYS A 59 1.118 -13.279 9.829 1.00 0.00 O ATOM 552 CB LYS A 59 0.552 -10.185 8.991 1.00 0.00 C ATOM 553 CG LYS A 59 0.364 -9.273 10.193 1.00 0.00 C ATOM 554 CD LYS A 59 -0.680 -9.822 11.153 1.00 0.00 C ATOM 555 CE LYS A 59 -1.999 -9.077 11.027 1.00 0.00 C ATOM 556 NZ LYS A 59 -2.705 -9.408 9.758 1.00 0.00 N ATOM 0 H LYS A 59 2.527 -9.904 7.538 1.00 0.00 H new ATOM 0 HA LYS A 59 2.200 -10.994 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.638 -9.575 8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.337 -10.805 8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.314 -9.157 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.063 -8.281 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.839 -10.882 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.312 -9.743 12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.639 -9.326 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.815 -8.004 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.600 -8.880 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.106 -9.147 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.904 -10.428 9.727 1.00 0.00 H new ATOM 570 N TYR A 60 1.364 -12.964 7.615 1.00 0.00 N ATOM 571 CA TYR A 60 1.014 -14.337 7.271 1.00 0.00 C ATOM 572 C TYR A 60 2.197 -15.263 7.518 1.00 0.00 C ATOM 573 O TYR A 60 2.029 -16.401 7.961 1.00 0.00 O ATOM 574 CB TYR A 60 0.581 -14.438 5.806 1.00 0.00 C ATOM 575 CG TYR A 60 -0.229 -13.258 5.318 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.503 -13.011 5.813 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.282 -12.393 4.360 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.246 -11.936 5.365 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.454 -11.316 3.906 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.717 -11.091 4.411 1.00 0.00 C ATOM 581 OH TYR A 60 -2.454 -10.020 3.962 1.00 0.00 O ATOM 0 H TYR A 60 1.584 -12.371 6.815 1.00 0.00 H new ATOM 0 HA TYR A 60 0.181 -14.640 7.905 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.469 -14.538 5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.006 -15.347 5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.920 -13.670 6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.272 -12.565 3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.236 -11.758 5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.042 -10.653 3.159 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.054 -9.670 3.139 1.00 0.00 H new ATOM 591 N PHE A 61 3.396 -14.767 7.229 1.00 0.00 N ATOM 592 CA PHE A 61 4.613 -15.547 7.421 1.00 0.00 C ATOM 593 C PHE A 61 5.002 -15.601 8.897 1.00 0.00 C ATOM 594 O PHE A 61 5.750 -16.480 9.321 1.00 0.00 O ATOM 595 CB PHE A 61 5.761 -14.950 6.603 1.00 0.00 C ATOM 596 CG PHE A 61 6.767 -15.970 6.152 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.406 -16.976 5.270 1.00 0.00 C ATOM 598 CD2 PHE A 61 8.074 -15.923 6.611 1.00 0.00 C ATOM 599 CE1 PHE A 61 7.330 -17.916 4.852 1.00 0.00 C ATOM 600 CE2 PHE A 61 9.002 -16.860 6.197 1.00 0.00 C ATOM 601 CZ PHE A 61 8.630 -17.857 5.317 1.00 0.00 C ATOM 0 H PHE A 61 3.551 -13.828 6.861 1.00 0.00 H new ATOM 0 HA PHE A 61 4.419 -16.563 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.350 -14.445 5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.267 -14.192 7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.391 -17.026 4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.371 -15.146 7.300 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.036 -18.695 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.017 -16.812 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.354 -18.590 4.993 1.00 0.00 H new ATOM 611 N LYS A 62 4.490 -14.656 9.676 1.00 0.00 N ATOM 612 CA LYS A 62 4.784 -14.604 11.102 1.00 0.00 C ATOM 613 C LYS A 62 3.798 -15.457 11.891 1.00 0.00 C ATOM 614 O LYS A 62 4.137 -16.010 12.938 1.00 0.00 O ATOM 615 CB LYS A 62 4.740 -13.158 11.600 1.00 0.00 C ATOM 616 CG LYS A 62 6.031 -12.393 11.364 1.00 0.00 C ATOM 617 CD LYS A 62 6.033 -11.063 12.099 1.00 0.00 C ATOM 618 CE LYS A 62 6.073 -11.263 13.602 1.00 0.00 C ATOM 619 NZ LYS A 62 6.674 -10.088 14.303 1.00 0.00 N ATOM 0 H LYS A 62 3.870 -13.917 9.345 1.00 0.00 H new ATOM 0 HA LYS A 62 5.786 -15.003 11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.922 -12.636 11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.517 -13.157 12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.877 -12.994 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.162 -12.220 10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.895 -10.473 11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.143 -10.495 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.062 -11.430 13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.649 -12.159 13.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.684 -10.263 15.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.648 -9.944 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.109 -9.238 14.102 1.00 0.00 H new ATOM 633 N GLU A 63 2.570 -15.546 11.391 1.00 0.00 N ATOM 634 CA GLU A 63 1.527 -16.317 12.058 1.00 0.00 C ATOM 635 C GLU A 63 1.371 -17.712 11.452 1.00 0.00 C ATOM 636 O GLU A 63 1.379 -18.711 12.170 1.00 0.00 O ATOM 637 CB GLU A 63 0.193 -15.567 11.989 1.00 0.00 C ATOM 638 CG GLU A 63 -0.285 -15.055 13.337 1.00 0.00 C ATOM 639 CD GLU A 63 0.068 -13.598 13.564 1.00 0.00 C ATOM 640 OE1 GLU A 63 -0.018 -12.809 12.600 1.00 0.00 O ATOM 641 OE2 GLU A 63 0.430 -13.246 14.707 1.00 0.00 O ATOM 0 H GLU A 63 2.273 -15.094 10.526 1.00 0.00 H new ATOM 0 HA GLU A 63 1.826 -16.440 13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.294 -14.725 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.566 -16.229 11.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.366 -15.179 13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.156 -15.660 14.129 1.00 0.00 H new ATOM 648 N HIS A 64 1.208 -17.775 10.134 1.00 0.00 N ATOM 649 CA HIS A 64 1.026 -19.054 9.451 1.00 0.00 C ATOM 650 C HIS A 64 2.296 -19.524 8.750 1.00 0.00 C ATOM 651 O HIS A 64 2.271 -20.489 7.986 1.00 0.00 O ATOM 652 CB HIS A 64 -0.120 -18.958 8.442 1.00 0.00 C ATOM 653 CG HIS A 64 -1.445 -18.655 9.069 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.316 -17.709 8.571 1.00 0.00 N ATOM 655 CD2 HIS A 64 -2.048 -19.180 10.162 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.396 -17.664 9.330 1.00 0.00 C ATOM 657 NE2 HIS A 64 -3.260 -18.547 10.301 1.00 0.00 N ATOM 0 H HIS A 64 1.198 -16.961 9.519 1.00 0.00 H new ATOM 0 HA HIS A 64 0.782 -19.792 10.215 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.113 -18.183 7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.192 -19.899 7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.651 -19.952 10.804 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.246 -17.015 9.181 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.944 -18.730 11.036 1.00 0.00 H new ATOM 666 N PHE A 65 3.405 -18.847 9.014 1.00 0.00 N ATOM 667 CA PHE A 65 4.686 -19.206 8.407 1.00 0.00 C ATOM 668 C PHE A 65 4.544 -19.429 6.903 1.00 0.00 C ATOM 669 O PHE A 65 5.287 -20.213 6.311 1.00 0.00 O ATOM 670 CB PHE A 65 5.251 -20.463 9.068 1.00 0.00 C ATOM 671 CG PHE A 65 6.748 -20.448 9.197 1.00 0.00 C ATOM 672 CD1 PHE A 65 7.381 -19.482 9.963 1.00 0.00 C ATOM 673 CD2 PHE A 65 7.522 -21.401 8.554 1.00 0.00 C ATOM 674 CE1 PHE A 65 8.758 -19.465 10.083 1.00 0.00 C ATOM 675 CE2 PHE A 65 8.899 -21.389 8.671 1.00 0.00 C ATOM 676 CZ PHE A 65 9.517 -20.420 9.436 1.00 0.00 C ATOM 0 H PHE A 65 3.447 -18.046 9.644 1.00 0.00 H new ATOM 0 HA PHE A 65 5.374 -18.376 8.565 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.809 -20.573 10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.953 -21.336 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.792 -18.734 10.472 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.044 -22.162 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.239 -18.706 10.682 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.491 -22.137 8.165 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.593 -20.409 9.528 1.00 0.00 H new ATOM 686 N LYS A 66 3.587 -18.739 6.292 1.00 0.00 N ATOM 687 CA LYS A 66 3.350 -18.865 4.859 1.00 0.00 C ATOM 688 C LYS A 66 2.748 -17.583 4.292 1.00 0.00 C ATOM 689 O LYS A 66 2.064 -16.841 4.997 1.00 0.00 O ATOM 690 CB LYS A 66 2.419 -20.045 4.576 1.00 0.00 C ATOM 691 CG LYS A 66 3.114 -21.397 4.632 1.00 0.00 C ATOM 692 CD LYS A 66 2.703 -22.186 5.865 1.00 0.00 C ATOM 693 CE LYS A 66 2.530 -23.664 5.548 1.00 0.00 C ATOM 694 NZ LYS A 66 1.168 -23.964 5.028 1.00 0.00 N ATOM 0 H LYS A 66 2.963 -18.087 6.767 1.00 0.00 H new ATOM 0 HA LYS A 66 4.309 -19.042 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.604 -20.035 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.972 -19.916 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.872 -21.969 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.194 -21.252 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.456 -22.065 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.769 -21.786 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.275 -23.967 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.713 -24.252 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.090 -24.981 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.458 -23.699 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.002 -23.422 4.156 1.00 0.00 H new ATOM 708 N GLU A 67 3.007 -17.329 3.014 1.00 0.00 N ATOM 709 CA GLU A 67 2.490 -16.139 2.350 1.00 0.00 C ATOM 710 C GLU A 67 1.098 -16.398 1.782 1.00 0.00 C ATOM 711 O GLU A 67 0.095 -15.963 2.349 1.00 0.00 O ATOM 712 CB GLU A 67 3.441 -15.699 1.234 1.00 0.00 C ATOM 713 CG GLU A 67 4.005 -14.301 1.430 1.00 0.00 C ATOM 714 CD GLU A 67 5.010 -14.231 2.563 1.00 0.00 C ATOM 715 OE1 GLU A 67 5.550 -15.292 2.943 1.00 0.00 O ATOM 716 OE2 GLU A 67 5.258 -13.117 3.069 1.00 0.00 O ATOM 0 H GLU A 67 3.573 -17.932 2.417 1.00 0.00 H new ATOM 0 HA GLU A 67 2.417 -15.340 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.266 -16.409 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.913 -15.738 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.481 -13.973 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.188 -13.608 1.631 1.00 0.00 H new ATOM 723 N PHE A 68 1.044 -17.111 0.662 1.00 0.00 N ATOM 724 CA PHE A 68 -0.225 -17.432 0.017 1.00 0.00 C ATOM 725 C PHE A 68 -1.024 -16.166 -0.283 1.00 0.00 C ATOM 726 O PHE A 68 -2.254 -16.187 -0.302 1.00 0.00 O ATOM 727 CB PHE A 68 -1.045 -18.374 0.903 1.00 0.00 C ATOM 728 CG PHE A 68 -1.185 -19.758 0.338 1.00 0.00 C ATOM 729 CD1 PHE A 68 -2.099 -20.020 -0.670 1.00 0.00 C ATOM 730 CD2 PHE A 68 -0.402 -20.798 0.814 1.00 0.00 C ATOM 731 CE1 PHE A 68 -2.231 -21.292 -1.192 1.00 0.00 C ATOM 732 CE2 PHE A 68 -0.530 -22.072 0.296 1.00 0.00 C ATOM 733 CZ PHE A 68 -1.445 -22.320 -0.708 1.00 0.00 C ATOM 0 H PHE A 68 1.865 -17.478 0.181 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.008 -17.930 -0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.576 -18.437 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.038 -17.948 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.716 -19.220 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.316 -20.610 1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.948 -21.483 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.085 -22.874 0.676 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.546 -23.316 -1.114 1.00 0.00 H new ATOM 743 N ASP A 69 -0.315 -15.065 -0.517 1.00 0.00 N ATOM 744 CA ASP A 69 -0.962 -13.792 -0.815 1.00 0.00 C ATOM 745 C ASP A 69 0.073 -12.717 -1.136 1.00 0.00 C ATOM 746 O ASP A 69 1.103 -12.615 -0.470 1.00 0.00 O ATOM 747 CB ASP A 69 -1.830 -13.349 0.366 1.00 0.00 C ATOM 748 CG ASP A 69 -3.313 -13.445 0.061 1.00 0.00 C ATOM 749 OD1 ASP A 69 -3.684 -14.221 -0.844 1.00 0.00 O ATOM 750 OD2 ASP A 69 -4.101 -12.741 0.727 1.00 0.00 O ATOM 0 H ASP A 69 0.704 -15.029 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.597 -13.930 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.600 -13.966 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.582 -12.321 0.630 1.00 0.00 H new ATOM 755 N LYS A 70 -0.212 -11.919 -2.159 1.00 0.00 N ATOM 756 CA LYS A 70 0.691 -10.849 -2.570 1.00 0.00 C ATOM 757 C LYS A 70 -0.048 -9.517 -2.644 1.00 0.00 C ATOM 758 O LYS A 70 -1.279 -9.479 -2.705 1.00 0.00 O ATOM 759 CB LYS A 70 1.320 -11.176 -3.926 1.00 0.00 C ATOM 760 CG LYS A 70 2.706 -11.788 -3.822 1.00 0.00 C ATOM 761 CD LYS A 70 3.346 -11.957 -5.191 1.00 0.00 C ATOM 762 CE LYS A 70 4.057 -10.689 -5.635 1.00 0.00 C ATOM 763 NZ LYS A 70 3.194 -9.843 -6.504 1.00 0.00 N ATOM 0 H LYS A 70 -1.061 -11.992 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 70 1.482 -10.765 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.667 -11.864 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.379 -10.264 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.338 -11.155 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.640 -12.757 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.057 -12.783 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.581 -12.221 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.360 -10.117 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.967 -10.953 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.790 -9.298 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.547 -10.450 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.641 -9.190 -5.913 1.00 0.00 H new ATOM 777 N ILE A 71 0.705 -8.422 -2.638 1.00 0.00 N ATOM 778 CA ILE A 71 0.111 -7.094 -2.706 1.00 0.00 C ATOM 779 C ILE A 71 0.902 -6.176 -3.624 1.00 0.00 C ATOM 780 O ILE A 71 2.128 -6.254 -3.701 1.00 0.00 O ATOM 781 CB ILE A 71 0.006 -6.448 -1.315 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.565 -7.449 -0.320 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.869 -5.205 -1.376 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.466 -6.999 1.122 1.00 0.00 C ATOM 0 H ILE A 71 1.724 -8.429 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.892 -7.225 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 71 1.002 -6.154 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.612 -7.632 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.041 -8.398 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.935 -4.757 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.433 -4.487 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.867 -5.479 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.893 -7.763 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.581 -6.843 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.015 -6.066 1.250 1.00 0.00 H new ATOM 796 N SER A 72 0.182 -5.309 -4.319 1.00 0.00 N ATOM 797 CA SER A 72 0.796 -4.366 -5.243 1.00 0.00 C ATOM 798 C SER A 72 0.148 -2.991 -5.120 1.00 0.00 C ATOM 799 O SER A 72 -1.022 -2.877 -4.753 1.00 0.00 O ATOM 800 CB SER A 72 0.671 -4.883 -6.675 1.00 0.00 C ATOM 801 OG SER A 72 1.867 -4.667 -7.404 1.00 0.00 O ATOM 0 H SER A 72 -0.834 -5.238 -4.260 1.00 0.00 H new ATOM 0 HA SER A 72 1.852 -4.270 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.438 -5.948 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.158 -4.382 -7.174 1.00 0.00 H new ATOM 0 HG SER A 72 1.760 -5.009 -8.316 1.00 0.00 H new ATOM 807 N TYR A 73 0.913 -1.949 -5.426 1.00 0.00 N ATOM 808 CA TYR A 73 0.405 -0.585 -5.344 1.00 0.00 C ATOM 809 C TYR A 73 0.975 0.281 -6.452 1.00 0.00 C ATOM 810 O TYR A 73 2.118 0.095 -6.882 1.00 0.00 O ATOM 811 CB TYR A 73 0.735 0.020 -3.978 1.00 0.00 C ATOM 812 CG TYR A 73 2.214 0.214 -3.739 1.00 0.00 C ATOM 813 CD1 TYR A 73 3.056 -0.873 -3.549 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.763 1.484 -3.699 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.410 -0.697 -3.331 1.00 0.00 C ATOM 816 CE2 TYR A 73 4.117 1.670 -3.484 1.00 0.00 C ATOM 817 CZ TYR A 73 4.935 0.576 -3.300 1.00 0.00 C ATOM 818 OH TYR A 73 6.281 0.755 -3.083 1.00 0.00 O ATOM 0 H TYR A 73 1.883 -2.022 -5.732 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.678 -0.620 -5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.232 0.983 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.332 -0.626 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.647 -1.872 -3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.124 2.344 -3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.052 -1.553 -3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.531 2.667 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 73 6.489 1.713 -3.092 1.00 0.00 H new ATOM 828 N ASP A 74 0.176 1.236 -6.917 1.00 0.00 N ATOM 829 CA ASP A 74 0.600 2.141 -7.982 1.00 0.00 C ATOM 830 C ASP A 74 -0.322 3.355 -8.054 1.00 0.00 C ATOM 831 O ASP A 74 -1.379 3.382 -7.428 1.00 0.00 O ATOM 832 CB ASP A 74 0.609 1.410 -9.326 1.00 0.00 C ATOM 833 CG ASP A 74 1.514 2.087 -10.346 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.716 1.757 -10.378 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.013 2.941 -11.106 1.00 0.00 O ATOM 0 H ASP A 74 -0.770 1.404 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 74 1.610 2.484 -7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.940 0.382 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.407 1.364 -9.719 1.00 0.00 H new ATOM 840 N ILE A 75 0.090 4.361 -8.824 1.00 0.00 N ATOM 841 CA ILE A 75 -0.701 5.576 -8.972 1.00 0.00 C ATOM 842 C ILE A 75 -0.863 5.954 -10.443 1.00 0.00 C ATOM 843 O ILE A 75 -0.165 5.430 -11.308 1.00 0.00 O ATOM 844 CB ILE A 75 -0.062 6.758 -8.220 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.433 6.860 -8.555 1.00 0.00 C ATOM 846 CG2 ILE A 75 -0.266 6.608 -6.725 1.00 0.00 C ATOM 847 CD1 ILE A 75 1.984 8.263 -8.440 1.00 0.00 C ATOM 0 H ILE A 75 0.963 4.357 -9.352 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.681 5.367 -8.543 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.550 7.678 -8.541 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.992 6.203 -7.888 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.595 6.497 -9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.192 7.452 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.333 6.583 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.196 5.681 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.045 8.259 -8.691 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.451 8.921 -9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.854 8.622 -7.419 1.00 0.00 H new ATOM 859 N SER A 76 -1.793 6.865 -10.715 1.00 0.00 N ATOM 860 CA SER A 76 -2.049 7.312 -12.082 1.00 0.00 C ATOM 861 C SER A 76 -3.012 8.492 -12.095 1.00 0.00 C ATOM 862 O SER A 76 -3.357 9.040 -11.044 1.00 0.00 O ATOM 863 CB SER A 76 -2.618 6.161 -12.915 1.00 0.00 C ATOM 864 OG SER A 76 -1.638 5.632 -13.787 1.00 0.00 O ATOM 0 H SER A 76 -2.381 7.308 -10.009 1.00 0.00 H new ATOM 0 HA SER A 76 -1.104 7.635 -12.519 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.983 5.375 -12.254 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.472 6.514 -13.493 1.00 0.00 H new ATOM 0 HG SER A 76 -0.832 5.409 -13.276 1.00 0.00 H new ATOM 870 N THR A 77 -3.444 8.872 -13.291 1.00 0.00 N ATOM 871 CA THR A 77 -4.370 9.992 -13.451 1.00 0.00 C ATOM 872 C THR A 77 -3.731 11.301 -12.986 1.00 0.00 C ATOM 873 O THR A 77 -3.005 11.322 -11.992 1.00 0.00 O ATOM 874 CB THR A 77 -5.670 9.732 -12.669 1.00 0.00 C ATOM 875 OG1 THR A 77 -5.809 8.350 -12.391 1.00 0.00 O ATOM 876 CG2 THR A 77 -6.906 10.179 -13.403 1.00 0.00 C ATOM 0 H THR A 77 -3.170 8.423 -14.165 1.00 0.00 H new ATOM 0 HA THR A 77 -4.608 10.083 -14.511 1.00 0.00 H new ATOM 0 HB THR A 77 -5.585 10.316 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.721 8.169 -12.082 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.786 9.967 -12.796 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.848 11.250 -13.595 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.980 9.644 -14.350 1.00 0.00 H new ATOM 884 N PRO A 78 -4.000 12.412 -13.699 1.00 0.00 N ATOM 885 CA PRO A 78 -3.445 13.720 -13.349 1.00 0.00 C ATOM 886 C PRO A 78 -4.089 14.335 -12.109 1.00 0.00 C ATOM 887 O PRO A 78 -3.638 15.363 -11.609 1.00 0.00 O ATOM 888 CB PRO A 78 -3.758 14.571 -14.584 1.00 0.00 C ATOM 889 CG PRO A 78 -4.976 13.947 -15.170 1.00 0.00 C ATOM 890 CD PRO A 78 -4.859 12.475 -14.899 1.00 0.00 C ATOM 0 HA PRO A 78 -2.385 13.652 -13.103 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.937 15.612 -14.314 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.929 14.563 -15.292 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.880 14.356 -14.718 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.038 14.143 -16.240 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.834 12.021 -14.719 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.412 11.946 -15.741 1.00 0.00 H new ATOM 898 N ILE A 79 -5.146 13.695 -11.603 1.00 0.00 N ATOM 899 CA ILE A 79 -5.838 14.189 -10.419 1.00 0.00 C ATOM 900 C ILE A 79 -5.321 13.509 -9.152 1.00 0.00 C ATOM 901 O ILE A 79 -6.024 13.451 -8.145 1.00 0.00 O ATOM 902 CB ILE A 79 -7.354 13.974 -10.528 1.00 0.00 C ATOM 903 CG1 ILE A 79 -7.679 12.484 -10.646 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.921 14.741 -11.714 1.00 0.00 C ATOM 905 CD1 ILE A 79 -9.168 12.194 -10.704 1.00 0.00 C ATOM 0 H ILE A 79 -5.537 12.838 -11.995 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.636 15.258 -10.356 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.820 14.356 -9.619 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.204 12.086 -11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.247 11.957 -9.795 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.997 14.575 -11.774 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.724 15.805 -11.587 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.449 14.392 -12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.326 11.119 -10.787 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.646 12.562 -9.796 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.602 12.693 -11.570 1.00 0.00 H new ATOM 917 N ASN A 80 -4.098 13.006 -9.211 1.00 0.00 N ATOM 918 CA ASN A 80 -3.493 12.326 -8.058 1.00 0.00 C ATOM 919 C ASN A 80 -4.379 11.188 -7.569 1.00 0.00 C ATOM 920 O ASN A 80 -4.665 11.081 -6.377 1.00 0.00 O ATOM 921 CB ASN A 80 -3.243 13.336 -6.933 1.00 0.00 C ATOM 922 CG ASN A 80 -1.831 13.249 -6.384 1.00 0.00 C ATOM 923 OD1 ASN A 80 -1.216 14.268 -6.094 1.00 0.00 O ATOM 924 ND2 ASN A 80 -1.322 12.035 -6.246 1.00 0.00 N ATOM 0 H ASN A 80 -3.501 13.051 -10.037 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.541 11.896 -8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.424 14.344 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.955 13.162 -6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.376 11.917 -5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.876 11.218 -6.502 1.00 0.00 H new ATOM 931 N PHE A 81 -4.811 10.339 -8.495 1.00 0.00 N ATOM 932 CA PHE A 81 -5.668 9.206 -8.150 1.00 0.00 C ATOM 933 C PHE A 81 -4.823 8.002 -7.735 1.00 0.00 C ATOM 934 O PHE A 81 -3.864 7.637 -8.427 1.00 0.00 O ATOM 935 CB PHE A 81 -6.555 8.838 -9.341 1.00 0.00 C ATOM 936 CG PHE A 81 -7.458 7.665 -9.073 1.00 0.00 C ATOM 937 CD1 PHE A 81 -6.963 6.372 -9.067 1.00 0.00 C ATOM 938 CD2 PHE A 81 -8.809 7.859 -8.828 1.00 0.00 C ATOM 939 CE1 PHE A 81 -7.790 5.298 -8.828 1.00 0.00 C ATOM 940 CE2 PHE A 81 -9.641 6.781 -8.583 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.131 5.500 -8.584 1.00 0.00 C ATOM 0 H PHE A 81 -4.584 10.411 -9.487 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.301 9.492 -7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.163 9.701 -9.612 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.923 8.612 -10.199 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.912 6.204 -9.253 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.215 8.860 -8.828 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.387 4.296 -8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -10.691 6.943 -8.391 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.780 4.658 -8.394 1.00 0.00 H new ATOM 951 N LEU A 82 -5.168 7.396 -6.612 1.00 0.00 N ATOM 952 CA LEU A 82 -4.437 6.244 -6.112 1.00 0.00 C ATOM 953 C LEU A 82 -5.177 4.947 -6.425 1.00 0.00 C ATOM 954 O LEU A 82 -6.378 4.829 -6.183 1.00 0.00 O ATOM 955 CB LEU A 82 -4.218 6.372 -4.604 1.00 0.00 C ATOM 956 CG LEU A 82 -2.754 6.399 -4.163 1.00 0.00 C ATOM 957 CD1 LEU A 82 -2.115 7.727 -4.518 1.00 0.00 C ATOM 958 CD2 LEU A 82 -2.644 6.138 -2.668 1.00 0.00 C ATOM 0 H LEU A 82 -5.953 7.684 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.469 6.214 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.703 7.285 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.716 5.539 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.221 5.609 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.074 7.727 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.162 7.876 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.650 8.534 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.596 6.161 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.192 6.907 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.065 5.159 -2.438 1.00 0.00 H new ATOM 970 N CYS A 83 -4.446 3.976 -6.961 1.00 0.00 N ATOM 971 CA CYS A 83 -5.022 2.682 -7.304 1.00 0.00 C ATOM 972 C CYS A 83 -4.151 1.549 -6.771 1.00 0.00 C ATOM 973 O CYS A 83 -3.016 1.367 -7.211 1.00 0.00 O ATOM 974 CB CYS A 83 -5.178 2.555 -8.820 1.00 0.00 C ATOM 975 SG CYS A 83 -6.481 1.411 -9.336 1.00 0.00 S ATOM 0 H CYS A 83 -3.451 4.061 -7.168 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.006 2.611 -6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.389 3.540 -9.236 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.230 2.225 -9.245 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.966 0.467 -10.066 1.00 0.00 H new ATOM 981 N ILE A 84 -4.686 0.794 -5.818 1.00 0.00 N ATOM 982 CA ILE A 84 -3.950 -0.316 -5.225 1.00 0.00 C ATOM 983 C ILE A 84 -4.382 -1.647 -5.822 1.00 0.00 C ATOM 984 O ILE A 84 -5.533 -2.056 -5.685 1.00 0.00 O ATOM 985 CB ILE A 84 -4.120 -0.345 -3.678 1.00 0.00 C ATOM 986 CG1 ILE A 84 -2.906 0.286 -2.985 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.328 -1.765 -3.164 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.211 1.344 -3.811 1.00 0.00 C ATOM 0 H ILE A 84 -5.624 0.930 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.896 -0.161 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.009 0.238 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.227 0.728 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.190 -0.499 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.443 -1.746 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.225 -2.188 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.465 -2.377 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.363 1.742 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.857 0.904 -4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.910 2.150 -4.033 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.442 -2.325 -6.470 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.724 -3.619 -7.066 1.00 0.00 C ATOM 1002 C PHE A 85 -3.164 -4.725 -6.183 1.00 0.00 C ATOM 1003 O PHE A 85 -2.048 -5.198 -6.391 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.118 -3.706 -8.468 1.00 0.00 C ATOM 1005 CG PHE A 85 -3.872 -2.915 -9.498 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.253 -2.994 -9.577 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.199 -2.092 -10.387 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -5.950 -2.266 -10.524 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -3.893 -1.364 -11.332 1.00 0.00 C ATOM 1010 CZ PHE A 85 -5.267 -1.450 -11.405 1.00 0.00 C ATOM 0 H PHE A 85 -2.483 -2.000 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.804 -3.740 -7.150 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.088 -3.352 -8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.085 -4.751 -8.777 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.791 -3.631 -8.891 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.122 -2.020 -10.340 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.027 -2.335 -10.575 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.357 -0.724 -12.017 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.807 -0.882 -12.148 1.00 0.00 H new ATOM 1020 N ILE A 86 -3.948 -5.116 -5.188 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.544 -6.158 -4.248 1.00 0.00 C ATOM 1022 C ILE A 86 -4.047 -7.541 -4.681 1.00 0.00 C ATOM 1023 O ILE A 86 -5.232 -7.848 -4.547 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.061 -5.848 -2.823 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.823 -7.035 -1.885 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.538 -5.481 -2.858 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -3.960 -6.685 -0.419 1.00 0.00 C ATOM 0 H ILE A 86 -4.873 -4.726 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.454 -6.172 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.503 -4.995 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.531 -7.827 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.824 -7.434 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.884 -5.266 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.679 -4.600 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.110 -6.313 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.778 -7.573 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.234 -5.915 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.967 -6.315 -0.226 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.151 -8.403 -5.206 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.517 -9.750 -5.648 1.00 0.00 C ATOM 1041 C PRO A 87 -3.728 -10.692 -4.468 1.00 0.00 C ATOM 1042 O PRO A 87 -2.782 -11.040 -3.763 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.316 -10.210 -6.489 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.409 -9.025 -6.594 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.723 -8.146 -5.419 1.00 0.00 C ATOM 0 HA PRO A 87 -4.455 -9.753 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.807 -11.050 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.636 -10.545 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.364 -9.334 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.572 -8.493 -7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.128 -8.409 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.527 -7.095 -5.634 1.00 0.00 H new ATOM 1053 N THR A 88 -4.972 -11.099 -4.252 1.00 0.00 N ATOM 1054 CA THR A 88 -5.297 -11.995 -3.148 1.00 0.00 C ATOM 1055 C THR A 88 -6.481 -12.896 -3.500 1.00 0.00 C ATOM 1056 O THR A 88 -7.441 -12.462 -4.137 1.00 0.00 O ATOM 1057 CB THR A 88 -5.587 -11.174 -1.884 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.389 -10.639 -1.354 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.258 -11.964 -0.780 1.00 0.00 C ATOM 0 H THR A 88 -5.771 -10.825 -4.824 1.00 0.00 H new ATOM 0 HA THR A 88 -4.441 -12.642 -2.959 1.00 0.00 H new ATOM 0 HB THR A 88 -6.272 -10.390 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.651 -10.810 -1.976 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.430 -11.315 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.212 -12.352 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.616 -12.794 -0.485 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.397 -14.158 -3.084 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.449 -15.132 -3.357 1.00 0.00 C ATOM 1069 C LEU A 89 -8.711 -14.831 -2.554 1.00 0.00 C ATOM 1070 O LEU A 89 -9.815 -15.180 -2.969 1.00 0.00 O ATOM 1071 CB LEU A 89 -6.955 -16.546 -3.040 1.00 0.00 C ATOM 1072 CG LEU A 89 -6.472 -17.350 -4.248 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -7.614 -17.582 -5.225 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -5.318 -16.635 -4.934 1.00 0.00 C ATOM 0 H LEU A 89 -5.608 -14.530 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.698 -15.064 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.140 -16.476 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.762 -17.096 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.118 -18.320 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.252 -18.156 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.411 -18.135 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.998 -16.622 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.986 -17.220 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.648 -15.652 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.492 -16.520 -4.232 1.00 0.00 H new ATOM 1086 N PHE A 90 -8.539 -14.192 -1.398 1.00 0.00 N ATOM 1087 CA PHE A 90 -9.659 -13.850 -0.528 1.00 0.00 C ATOM 1088 C PHE A 90 -10.188 -15.088 0.180 1.00 0.00 C ATOM 1089 O PHE A 90 -10.239 -16.175 -0.396 1.00 0.00 O ATOM 1090 CB PHE A 90 -10.785 -13.173 -1.314 1.00 0.00 C ATOM 1091 CG PHE A 90 -11.926 -12.713 -0.452 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -12.915 -13.601 -0.058 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -12.011 -11.394 -0.035 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -13.966 -13.182 0.736 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -13.060 -10.969 0.757 1.00 0.00 C ATOM 1096 CZ PHE A 90 -14.039 -11.864 1.144 1.00 0.00 C ATOM 0 H PHE A 90 -7.629 -13.900 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.293 -13.147 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -10.378 -12.316 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.164 -13.869 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -12.864 -14.632 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.248 -10.690 -0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -14.729 -13.884 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.115 -9.938 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 90 -14.859 -11.534 1.764 1.00 0.00 H new ATOM 1106 N ASP A 91 -10.574 -14.909 1.437 1.00 0.00 N ATOM 1107 CA ASP A 91 -11.099 -16.000 2.260 1.00 0.00 C ATOM 1108 C ASP A 91 -9.970 -16.840 2.856 1.00 0.00 C ATOM 1109 O ASP A 91 -10.221 -17.812 3.566 1.00 0.00 O ATOM 1110 CB ASP A 91 -12.043 -16.893 1.447 1.00 0.00 C ATOM 1111 CG ASP A 91 -13.054 -17.610 2.319 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -12.743 -17.864 3.502 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -14.157 -17.917 1.821 1.00 0.00 O ATOM 0 H ASP A 91 -10.534 -14.009 1.916 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.660 -15.549 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.569 -16.286 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.458 -17.628 0.895 1.00 0.00 H new ATOM 1118 N MET A 92 -8.727 -16.457 2.569 1.00 0.00 N ATOM 1119 CA MET A 92 -7.571 -17.176 3.089 1.00 0.00 C ATOM 1120 C MET A 92 -7.264 -16.736 4.516 1.00 0.00 C ATOM 1121 O MET A 92 -6.780 -17.521 5.330 1.00 0.00 O ATOM 1122 CB MET A 92 -6.352 -16.942 2.191 1.00 0.00 C ATOM 1123 CG MET A 92 -5.927 -18.175 1.410 1.00 0.00 C ATOM 1124 SD MET A 92 -7.260 -18.855 0.405 1.00 0.00 S ATOM 1125 CE MET A 92 -6.885 -20.604 0.485 1.00 0.00 C ATOM 0 H MET A 92 -8.498 -15.656 1.981 1.00 0.00 H new ATOM 0 HA MET A 92 -7.803 -18.241 3.097 1.00 0.00 H new ATOM 0 HB2 MET A 92 -6.576 -16.138 1.490 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.517 -16.606 2.806 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.086 -17.920 0.766 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.576 -18.938 2.105 1.00 0.00 H new ATOM 0 HE1 MET A 92 -7.624 -21.161 -0.091 1.00 0.00 H new ATOM 0 HE2 MET A 92 -5.893 -20.783 0.071 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.910 -20.934 1.523 1.00 0.00 H new ATOM 1135 N ASN A 93 -7.557 -15.473 4.813 1.00 0.00 N ATOM 1136 CA ASN A 93 -7.319 -14.922 6.141 1.00 0.00 C ATOM 1137 C ASN A 93 -8.621 -14.809 6.935 1.00 0.00 C ATOM 1138 O ASN A 93 -8.624 -14.338 8.072 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.654 -13.548 6.033 1.00 0.00 C ATOM 1140 CG ASN A 93 -5.146 -13.623 6.171 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -4.455 -14.121 5.282 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -4.627 -13.129 7.289 1.00 0.00 N ATOM 0 H ASN A 93 -7.960 -14.812 4.149 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.654 -15.603 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.906 -13.100 5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.055 -12.892 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.618 -13.153 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.237 -12.725 8.000 1.00 0.00 H new ATOM 1149 N ASN A 94 -9.728 -15.244 6.332 1.00 0.00 N ATOM 1150 CA ASN A 94 -11.032 -15.191 6.988 1.00 0.00 C ATOM 1151 C ASN A 94 -11.532 -13.751 7.091 1.00 0.00 C ATOM 1152 O ASN A 94 -11.752 -13.233 8.185 1.00 0.00 O ATOM 1153 CB ASN A 94 -10.960 -15.828 8.380 1.00 0.00 C ATOM 1154 CG ASN A 94 -12.142 -16.733 8.663 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -13.289 -16.286 8.694 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -11.869 -18.016 8.873 1.00 0.00 N ATOM 0 H ASN A 94 -9.746 -15.637 5.391 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.738 -15.757 6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.037 -16.402 8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.919 -15.042 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.624 -18.673 9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.904 -18.344 8.838 1.00 0.00 H new ATOM 1163 N MET A 95 -11.712 -13.112 5.939 1.00 0.00 N ATOM 1164 CA MET A 95 -12.189 -11.734 5.895 1.00 0.00 C ATOM 1165 C MET A 95 -11.243 -10.804 6.650 1.00 0.00 C ATOM 1166 O MET A 95 -11.682 -9.907 7.370 1.00 0.00 O ATOM 1167 CB MET A 95 -13.597 -11.641 6.486 1.00 0.00 C ATOM 1168 CG MET A 95 -14.590 -12.596 5.846 1.00 0.00 C ATOM 1169 SD MET A 95 -16.023 -12.913 6.893 1.00 0.00 S ATOM 1170 CE MET A 95 -17.348 -12.343 5.833 1.00 0.00 C ATOM 0 H MET A 95 -11.535 -13.526 5.024 1.00 0.00 H new ATOM 0 HA MET A 95 -12.219 -11.420 4.852 1.00 0.00 H new ATOM 0 HB2 MET A 95 -13.547 -11.845 7.556 1.00 0.00 H new ATOM 0 HB3 MET A 95 -13.963 -10.620 6.373 1.00 0.00 H new ATOM 0 HG2 MET A 95 -14.924 -12.182 4.895 1.00 0.00 H new ATOM 0 HG3 MET A 95 -14.090 -13.539 5.625 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.303 -12.474 6.342 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.201 -11.288 5.603 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.348 -12.920 4.908 1.00 0.00 H new ATOM 1180 N ASP A 96 -9.944 -11.024 6.480 1.00 0.00 N ATOM 1181 CA ASP A 96 -8.937 -10.205 7.144 1.00 0.00 C ATOM 1182 C ASP A 96 -7.786 -9.883 6.197 1.00 0.00 C ATOM 1183 O ASP A 96 -6.778 -10.588 6.167 1.00 0.00 O ATOM 1184 CB ASP A 96 -8.406 -10.922 8.387 1.00 0.00 C ATOM 1185 CG ASP A 96 -8.169 -9.973 9.545 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -9.159 -9.442 10.090 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -6.992 -9.759 9.907 1.00 0.00 O ATOM 0 H ASP A 96 -9.564 -11.763 5.888 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.407 -9.269 7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.116 -11.691 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.473 -11.429 8.140 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.944 -8.813 5.423 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.919 -8.398 4.474 1.00 0.00 C ATOM 1194 C LEU A 97 -7.218 -7.008 3.922 1.00 0.00 C ATOM 1195 O LEU A 97 -6.555 -6.033 4.276 1.00 0.00 O ATOM 1196 CB LEU A 97 -6.817 -9.410 3.329 1.00 0.00 C ATOM 1197 CG LEU A 97 -5.410 -9.960 3.074 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -5.440 -11.476 2.959 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -4.815 -9.340 1.818 1.00 0.00 C ATOM 0 H LEU A 97 -8.773 -8.218 5.435 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.965 -8.359 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.484 -10.245 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.178 -8.939 2.415 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.779 -9.694 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.431 -11.847 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.823 -11.904 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.087 -11.765 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.816 -9.742 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.447 -9.575 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.755 -8.258 1.939 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.220 -6.924 3.053 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.607 -5.652 2.452 1.00 0.00 C ATOM 1213 C LEU A 98 -9.232 -4.725 3.490 1.00 0.00 C ATOM 1214 O LEU A 98 -9.167 -3.503 3.363 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.590 -5.885 1.302 1.00 0.00 C ATOM 1216 CG LEU A 98 -10.963 -6.419 1.722 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -12.074 -5.638 1.035 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -11.078 -7.902 1.404 1.00 0.00 C ATOM 0 H LEU A 98 -8.779 -7.721 2.749 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.707 -5.176 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.730 -4.945 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.143 -6.588 0.599 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.067 -6.289 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.042 -6.032 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.004 -4.586 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.973 -5.736 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.060 -8.264 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.952 -8.055 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.305 -8.451 1.943 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.838 -5.314 4.517 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.475 -4.540 5.576 1.00 0.00 C ATOM 1232 C LYS A 99 -9.474 -3.603 6.246 1.00 0.00 C ATOM 1233 O LYS A 99 -9.833 -2.513 6.691 1.00 0.00 O ATOM 1234 CB LYS A 99 -11.093 -5.474 6.617 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.227 -4.840 7.408 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.565 -5.488 7.086 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.846 -6.669 8.002 1.00 0.00 C ATOM 1238 NZ LYS A 99 -14.758 -6.301 9.120 1.00 0.00 N ATOM 0 H LYS A 99 -9.901 -6.325 4.638 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.263 -3.936 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.466 -6.367 6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.316 -5.798 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.024 -4.934 8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.275 -3.774 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.361 -4.751 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.569 -5.822 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.290 -7.479 7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.907 -7.045 8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.924 -7.133 9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.324 -5.545 9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.664 -5.967 8.733 1.00 0.00 H new ATOM 1252 N GLN A 100 -8.220 -4.034 6.315 1.00 0.00 N ATOM 1253 CA GLN A 100 -7.170 -3.231 6.933 1.00 0.00 C ATOM 1254 C GLN A 100 -6.630 -2.195 5.953 1.00 0.00 C ATOM 1255 O GLN A 100 -6.298 -1.074 6.340 1.00 0.00 O ATOM 1256 CB GLN A 100 -6.032 -4.130 7.422 1.00 0.00 C ATOM 1257 CG GLN A 100 -5.174 -3.490 8.500 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.812 -4.143 8.626 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -3.055 -4.219 7.657 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -3.492 -4.620 9.823 1.00 0.00 N ATOM 0 H GLN A 100 -7.905 -4.933 5.951 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.602 -2.707 7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.453 -5.058 7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.399 -4.395 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.046 -2.431 8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.693 -3.553 9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.150 -4.536 10.598 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.589 -5.071 9.967 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.544 -2.577 4.684 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.045 -1.680 3.648 1.00 0.00 C ATOM 1271 C ALA A 101 -7.071 -0.602 3.315 1.00 0.00 C ATOM 1272 O ALA A 101 -6.714 0.536 3.004 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.682 -2.471 2.401 1.00 0.00 C ATOM 0 H ALA A 101 -6.813 -3.502 4.348 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.150 -1.186 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.311 -1.791 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.909 -3.200 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.566 -2.990 2.029 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.347 -0.967 3.380 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.426 -0.032 3.084 1.00 0.00 C ATOM 1281 C LEU A 102 -9.657 0.925 4.249 1.00 0.00 C ATOM 1282 O LEU A 102 -10.010 2.088 4.049 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.716 -0.795 2.766 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.488 -0.282 1.550 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.377 -1.376 0.982 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.312 0.937 1.923 1.00 0.00 C ATOM 0 H LEU A 102 -8.659 -1.904 3.635 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.135 0.555 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.469 -1.844 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.370 -0.752 3.637 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.771 0.008 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.919 -0.992 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.762 -2.223 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.089 -1.698 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.856 1.291 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.021 0.671 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.652 1.726 2.283 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.459 0.430 5.466 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.651 1.242 6.662 1.00 0.00 C ATOM 1300 C LEU A 103 -8.488 2.208 6.869 1.00 0.00 C ATOM 1301 O LEU A 103 -8.657 3.266 7.461 1.00 0.00 O ATOM 1302 CB LEU A 103 -9.807 0.341 7.891 1.00 0.00 C ATOM 1303 CG LEU A 103 -11.251 0.034 8.295 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -11.883 1.239 8.973 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -12.071 -0.389 7.084 1.00 0.00 C ATOM 0 H LEU A 103 -9.166 -0.529 5.650 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.559 1.829 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.292 -0.600 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.303 0.813 8.734 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.238 -0.793 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.909 1.002 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.313 1.495 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.881 2.086 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.094 -0.602 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.075 0.415 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.632 -1.283 6.642 1.00 0.00 H new ATOM 1317 N ILE A 104 -7.310 1.835 6.378 1.00 0.00 N ATOM 1318 CA ILE A 104 -6.127 2.673 6.520 1.00 0.00 C ATOM 1319 C ILE A 104 -6.119 3.800 5.490 1.00 0.00 C ATOM 1320 O ILE A 104 -5.728 4.929 5.805 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.829 1.847 6.392 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.606 2.725 6.686 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -4.721 1.226 5.012 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.185 2.708 8.141 1.00 0.00 C ATOM 0 H ILE A 104 -7.151 0.960 5.879 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.167 3.108 7.519 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.861 1.041 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.771 2.389 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.826 3.751 6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.799 0.649 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.574 0.569 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.712 2.013 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -2.315 3.350 8.275 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.004 3.072 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.933 1.689 8.435 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.544 3.503 4.272 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.578 4.507 3.212 1.00 0.00 C ATOM 1338 C LEU A 105 -7.674 5.526 3.472 1.00 0.00 C ATOM 1339 O LEU A 105 -7.510 6.718 3.199 1.00 0.00 O ATOM 1340 CB LEU A 105 -6.791 3.844 1.847 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.093 3.053 1.704 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.258 3.984 1.409 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -7.956 2.002 0.611 1.00 0.00 C ATOM 0 H LEU A 105 -6.870 2.579 3.990 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.618 5.022 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.767 4.616 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.954 3.174 1.652 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.294 2.547 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.174 3.401 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.368 4.699 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.068 4.521 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.890 1.447 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.731 2.490 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.149 1.315 0.866 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.807 5.061 3.993 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.932 5.930 4.287 1.00 0.00 C ATOM 1357 C HIS A 106 -9.631 6.847 5.468 1.00 0.00 C ATOM 1358 O HIS A 106 -9.870 8.051 5.407 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.188 5.101 4.577 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.390 5.546 3.814 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.282 6.484 4.293 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -12.852 5.179 2.595 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.241 6.676 3.404 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.001 5.896 2.364 1.00 0.00 N ATOM 0 H HIS A 106 -8.966 4.079 4.220 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.108 6.551 3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.985 4.056 4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.407 5.150 5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.402 4.458 1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.076 7.353 3.509 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.577 5.836 1.524 1.00 0.00 H new ATOM 1373 N ASN A 107 -9.108 6.265 6.542 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.775 7.030 7.737 1.00 0.00 C ATOM 1375 C ASN A 107 -7.731 8.104 7.434 1.00 0.00 C ATOM 1376 O ASN A 107 -7.922 9.272 7.751 1.00 0.00 O ATOM 1377 CB ASN A 107 -8.267 6.108 8.840 1.00 0.00 C ATOM 1378 CG ASN A 107 -8.655 6.587 10.222 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -7.881 7.278 10.894 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -9.857 6.232 10.662 1.00 0.00 N ATOM 0 H ASN A 107 -8.906 5.267 6.609 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.685 7.523 8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.664 5.105 8.682 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.181 6.035 8.776 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.171 6.531 11.585 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.466 5.661 10.076 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.636 7.692 6.808 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.556 8.618 6.468 1.00 0.00 C ATOM 1389 C ASP A 108 -6.080 9.787 5.638 1.00 0.00 C ATOM 1390 O ASP A 108 -5.631 10.922 5.799 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.453 7.892 5.705 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.066 8.316 6.150 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -2.600 7.811 7.192 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.449 9.147 5.453 1.00 0.00 O ATOM 0 H ASP A 108 -6.470 6.726 6.525 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.145 9.011 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.564 6.817 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.565 8.086 4.638 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.028 9.497 4.751 1.00 0.00 N ATOM 1400 CA LEU A 109 -7.610 10.529 3.899 1.00 0.00 C ATOM 1401 C LEU A 109 -8.498 11.476 4.709 1.00 0.00 C ATOM 1402 O LEU A 109 -8.450 12.691 4.530 1.00 0.00 O ATOM 1403 CB LEU A 109 -8.424 9.891 2.773 1.00 0.00 C ATOM 1404 CG LEU A 109 -7.869 10.122 1.361 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -7.611 8.801 0.657 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -8.825 10.990 0.549 1.00 0.00 C ATOM 0 H LEU A 109 -7.408 8.562 4.604 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.793 11.108 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.485 8.818 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.442 10.279 2.815 1.00 0.00 H new ATOM 0 HG LEU A 109 -6.918 10.646 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.218 8.992 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.886 8.220 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.543 8.242 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.417 11.144 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.792 10.493 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.950 11.954 1.043 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.295 10.902 5.605 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.187 11.694 6.450 1.00 0.00 C ATOM 1420 C HIS A 110 -9.453 12.274 7.657 1.00 0.00 C ATOM 1421 O HIS A 110 -10.002 13.093 8.394 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.364 10.835 6.918 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.579 10.964 6.057 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -12.615 10.592 4.727 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -13.819 11.439 6.338 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -13.811 10.828 4.237 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.562 11.344 5.194 1.00 0.00 N ATOM 0 H HIS A 110 -9.343 9.896 5.766 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.558 12.527 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.054 9.790 6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.622 11.113 7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -14.157 11.822 7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.127 10.633 3.223 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.537 11.626 5.095 1.00 0.00 H new ATOM 1436 N GLU A 111 -8.208 11.836 7.860 1.00 0.00 N ATOM 1437 CA GLU A 111 -7.408 12.316 8.986 1.00 0.00 C ATOM 1438 C GLU A 111 -6.751 13.661 8.674 1.00 0.00 C ATOM 1439 O GLU A 111 -6.027 14.215 9.506 1.00 0.00 O ATOM 1440 CB GLU A 111 -6.341 11.292 9.348 1.00 0.00 C ATOM 1441 CG GLU A 111 -5.687 11.541 10.699 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.514 10.274 11.514 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -6.393 9.388 11.417 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -4.508 10.171 12.244 1.00 0.00 O ATOM 0 H GLU A 111 -7.736 11.156 7.264 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.079 12.455 9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.789 10.298 9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.572 11.294 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.712 12.004 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.291 12.251 11.264 1.00 0.00 H new