USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 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 GLN : amide:sc= -0.548 K(o=-2.6,f=-4.4) USER MOD Set 1.2: A 37 MET CE :methyl 146:sc= -2.08! (180deg=-0.156) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD Single : A 8 LYS NZ :NH3+ 156:sc= -0.0595 (180deg=-0.654) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= -0.041 (180deg=-1.25!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.195 USER MOD Single : A 23 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.3!) USER MOD Single : A 24 GLN : amide:sc= -0.0866 X(o=-0.087,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 68:sc= 0.644 USER MOD Single : A 45 MET CE :methyl 157:sc= -0.0331 (180deg=-0.501) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 50 ASN : amide:sc= -0.0022 X(o=-0.0022,f=-0.18) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 179:sc= -1.25! USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -11.8! C(o=-12!,f=-13!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.49) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.37! C(o=-1.4!,f=-2.5!) USER MOD Single : A 72 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.0052) USER MOD Single : A 75 ASN : amide:sc= -1.19 K(o=-1.2,f=-4!) USER MOD Single : A 76 THR OG1 : rot 74:sc= 0.52 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= 0.285 (180deg=-0.995) USER MOD Single : A 85 TYR OH : rot -110:sc= -3.78! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 6.904 30.828 -0.468 1.00 0.00 N ATOM 2 CA LEU A 3 7.254 29.445 -0.052 1.00 0.00 C ATOM 3 C LEU A 3 6.162 28.457 -0.451 1.00 0.00 C ATOM 4 O LEU A 3 5.226 28.209 0.309 1.00 0.00 O ATOM 5 CB LEU A 3 7.458 29.432 1.465 1.00 0.00 C ATOM 6 CG LEU A 3 8.882 29.116 1.924 1.00 0.00 C ATOM 7 CD1 LEU A 3 9.702 30.391 2.040 1.00 0.00 C ATOM 8 CD2 LEU A 3 8.860 28.372 3.251 1.00 0.00 C ATOM 0 HA LEU A 3 8.170 29.137 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.172 30.406 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.781 28.698 1.901 1.00 0.00 H new ATOM 0 HG LEU A 3 9.350 28.475 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.712 30.145 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.746 30.885 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.237 31.058 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.881 28.155 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.373 28.989 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.310 27.438 3.136 1.00 0.00 H new ATOM 22 N LEU A 4 6.290 27.893 -1.649 1.00 0.00 N ATOM 23 CA LEU A 4 5.316 26.930 -2.150 1.00 0.00 C ATOM 24 C LEU A 4 5.910 25.525 -2.197 1.00 0.00 C ATOM 25 O LEU A 4 5.189 24.534 -2.093 1.00 0.00 O ATOM 26 CB LEU A 4 4.829 27.342 -3.541 1.00 0.00 C ATOM 27 CG LEU A 4 3.760 28.436 -3.554 1.00 0.00 C ATOM 28 CD1 LEU A 4 3.281 28.697 -4.974 1.00 0.00 C ATOM 29 CD2 LEU A 4 2.591 28.052 -2.658 1.00 0.00 C ATOM 0 H LEU A 4 7.059 28.087 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 4 4.468 26.920 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.685 27.685 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.432 26.461 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 4 4.203 29.353 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.521 29.478 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.122 29.017 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.856 27.783 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.841 28.842 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.149 27.122 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.945 27.916 -1.636 1.00 0.00 H new ATOM 41 N LYS A 5 7.231 25.447 -2.345 1.00 0.00 N ATOM 42 CA LYS A 5 7.920 24.159 -2.396 1.00 0.00 C ATOM 43 C LYS A 5 7.586 23.320 -1.165 1.00 0.00 C ATOM 44 O LYS A 5 7.664 22.092 -1.196 1.00 0.00 O ATOM 45 CB LYS A 5 9.433 24.366 -2.488 1.00 0.00 C ATOM 46 CG LYS A 5 9.841 25.452 -3.471 1.00 0.00 C ATOM 47 CD LYS A 5 10.388 26.676 -2.755 1.00 0.00 C ATOM 48 CE LYS A 5 11.675 26.358 -2.009 1.00 0.00 C ATOM 49 NZ LYS A 5 12.877 26.833 -2.747 1.00 0.00 N ATOM 0 H LYS A 5 7.844 26.258 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 5 7.580 23.628 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.817 24.619 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.902 23.427 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.596 25.061 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.981 25.738 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.573 27.470 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.643 27.051 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.647 26.822 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.747 25.282 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.733 26.597 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.918 26.371 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.821 27.864 -2.874 1.00 0.00 H new ATOM 63 N ALA A 6 7.209 23.997 -0.085 1.00 0.00 N ATOM 64 CA ALA A 6 6.858 23.321 1.159 1.00 0.00 C ATOM 65 C ALA A 6 5.764 22.286 0.916 1.00 0.00 C ATOM 66 O ALA A 6 5.836 21.164 1.416 1.00 0.00 O ATOM 67 CB ALA A 6 6.412 24.331 2.205 1.00 0.00 C ATOM 0 H ALA A 6 7.139 25.014 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 6 7.743 22.805 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.154 23.810 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.222 25.034 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.541 24.874 1.839 1.00 0.00 H new ATOM 73 N ASN A 7 4.758 22.671 0.139 1.00 0.00 N ATOM 74 CA ASN A 7 3.653 21.772 -0.178 1.00 0.00 C ATOM 75 C ASN A 7 4.149 20.589 -1.003 1.00 0.00 C ATOM 76 O ASN A 7 3.840 19.436 -0.703 1.00 0.00 O ATOM 77 CB ASN A 7 2.549 22.514 -0.941 1.00 0.00 C ATOM 78 CG ASN A 7 2.382 23.956 -0.495 1.00 0.00 C ATOM 79 OD1 ASN A 7 2.090 24.838 -1.305 1.00 0.00 O ATOM 80 ND2 ASN A 7 2.567 24.207 0.797 1.00 0.00 N ATOM 0 H ASN A 7 4.684 23.597 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 7 3.239 21.402 0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.776 22.494 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.605 21.987 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.468 25.159 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.808 23.448 1.435 1.00 0.00 H new ATOM 87 N LYS A 8 4.922 20.884 -2.045 1.00 0.00 N ATOM 88 CA LYS A 8 5.465 19.847 -2.916 1.00 0.00 C ATOM 89 C LYS A 8 6.416 18.933 -2.149 1.00 0.00 C ATOM 90 O LYS A 8 6.574 17.759 -2.486 1.00 0.00 O ATOM 91 CB LYS A 8 6.189 20.480 -4.106 1.00 0.00 C ATOM 92 CG LYS A 8 5.870 19.815 -5.435 1.00 0.00 C ATOM 93 CD LYS A 8 7.068 19.831 -6.369 1.00 0.00 C ATOM 94 CE LYS A 8 7.195 21.163 -7.090 1.00 0.00 C ATOM 95 NZ LYS A 8 7.812 22.207 -6.225 1.00 0.00 N ATOM 0 H LYS A 8 5.186 21.834 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 8 4.635 19.245 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.922 21.535 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.264 20.432 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.557 18.786 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.032 20.328 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.977 19.636 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.971 19.028 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.798 21.033 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.209 21.496 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.249 22.938 -6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.079 22.640 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.539 21.773 -5.622 1.00 0.00 H new ATOM 109 N ASP A 9 7.048 19.471 -1.114 1.00 0.00 N ATOM 110 CA ASP A 9 7.972 18.687 -0.308 1.00 0.00 C ATOM 111 C ASP A 9 7.206 17.698 0.557 1.00 0.00 C ATOM 112 O ASP A 9 7.577 16.529 0.659 1.00 0.00 O ATOM 113 CB ASP A 9 8.833 19.601 0.568 1.00 0.00 C ATOM 114 CG ASP A 9 10.107 18.923 1.033 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.076 18.875 0.245 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.137 18.442 2.185 1.00 0.00 O ATOM 0 H ASP A 9 6.938 20.440 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 9 8.630 18.133 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.087 20.502 0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.255 19.917 1.436 1.00 0.00 H new ATOM 121 N LEU A 10 6.129 18.173 1.172 1.00 0.00 N ATOM 122 CA LEU A 10 5.303 17.328 2.021 1.00 0.00 C ATOM 123 C LEU A 10 4.742 16.158 1.220 1.00 0.00 C ATOM 124 O LEU A 10 4.846 14.998 1.633 1.00 0.00 O ATOM 125 CB LEU A 10 4.163 18.153 2.616 1.00 0.00 C ATOM 126 CG LEU A 10 3.255 17.402 3.586 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.748 17.571 5.013 1.00 0.00 C ATOM 128 CD2 LEU A 10 1.820 17.888 3.447 1.00 0.00 C ATOM 0 H LEU A 10 5.809 19.139 1.098 1.00 0.00 H new ATOM 0 HA LEU A 10 5.917 16.931 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.589 19.012 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.554 18.542 1.800 1.00 0.00 H new ATOM 0 HG LEU A 10 3.282 16.340 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.089 17.029 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.760 17.176 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.748 18.629 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.183 17.344 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.774 18.954 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.474 17.714 2.428 1.00 0.00 H new ATOM 140 N ILE A 11 4.164 16.462 0.060 1.00 0.00 N ATOM 141 CA ILE A 11 3.613 15.423 -0.796 1.00 0.00 C ATOM 142 C ILE A 11 4.699 14.415 -1.140 1.00 0.00 C ATOM 143 O ILE A 11 4.511 13.210 -0.991 1.00 0.00 O ATOM 144 CB ILE A 11 2.978 16.006 -2.084 1.00 0.00 C ATOM 145 CG1 ILE A 11 1.894 15.065 -2.613 1.00 0.00 C ATOM 146 CG2 ILE A 11 4.019 16.284 -3.162 1.00 0.00 C ATOM 147 CD1 ILE A 11 2.439 13.825 -3.293 1.00 0.00 C ATOM 0 H ILE A 11 4.067 17.410 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 11 2.814 14.923 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 11 2.524 16.962 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.253 14.762 -1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.267 15.609 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.528 16.691 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.747 17.003 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.527 15.356 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.611 13.207 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.056 14.117 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.042 13.257 -2.585 1.00 0.00 H new ATOM 159 N SER A 12 5.846 14.920 -1.589 1.00 0.00 N ATOM 160 CA SER A 12 6.971 14.064 -1.940 1.00 0.00 C ATOM 161 C SER A 12 7.351 13.162 -0.768 1.00 0.00 C ATOM 162 O SER A 12 7.804 12.038 -0.961 1.00 0.00 O ATOM 163 CB SER A 12 8.172 14.911 -2.360 1.00 0.00 C ATOM 164 OG SER A 12 8.908 14.277 -3.392 1.00 0.00 O ATOM 0 H SER A 12 6.018 15.917 -1.717 1.00 0.00 H new ATOM 0 HA SER A 12 6.671 13.435 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.830 15.888 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.819 15.082 -1.500 1.00 0.00 H new ATOM 0 HG SER A 12 9.670 14.840 -3.644 1.00 0.00 H new ATOM 170 N ALA A 13 7.178 13.673 0.447 1.00 0.00 N ATOM 171 CA ALA A 13 7.514 12.913 1.647 1.00 0.00 C ATOM 172 C ALA A 13 6.579 11.726 1.832 1.00 0.00 C ATOM 173 O ALA A 13 7.026 10.610 2.096 1.00 0.00 O ATOM 174 CB ALA A 13 7.499 13.810 2.874 1.00 0.00 C ATOM 0 H ALA A 13 6.809 14.607 0.627 1.00 0.00 H new ATOM 0 HA ALA A 13 8.524 12.522 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.752 13.223 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.229 14.610 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.505 14.241 2.997 1.00 0.00 H new ATOM 180 N GLY A 14 5.285 11.950 1.636 1.00 0.00 N ATOM 181 CA GLY A 14 4.340 10.849 1.735 1.00 0.00 C ATOM 182 C GLY A 14 4.552 9.916 0.564 1.00 0.00 C ATOM 183 O GLY A 14 4.525 8.694 0.694 1.00 0.00 O ATOM 0 H GLY A 14 4.876 12.858 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.482 10.314 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.318 11.228 1.735 1.00 0.00 H new ATOM 187 N LEU A 15 4.788 10.541 -0.581 1.00 0.00 N ATOM 188 CA LEU A 15 5.046 9.823 -1.818 1.00 0.00 C ATOM 189 C LEU A 15 6.199 8.848 -1.611 1.00 0.00 C ATOM 190 O LEU A 15 6.041 7.640 -1.780 1.00 0.00 O ATOM 191 CB LEU A 15 5.358 10.796 -2.953 1.00 0.00 C ATOM 192 CG LEU A 15 4.229 10.989 -3.967 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.537 12.154 -4.894 1.00 0.00 C ATOM 194 CD2 LEU A 15 4.006 9.712 -4.766 1.00 0.00 C ATOM 0 H LEU A 15 4.806 11.556 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 15 4.153 9.263 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.609 11.765 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.244 10.443 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 15 3.313 11.218 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.723 12.276 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.645 13.067 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.464 11.956 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.199 9.867 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.920 9.452 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.738 8.901 -4.089 1.00 0.00 H new ATOM 206 N LYS A 16 7.353 9.384 -1.234 1.00 0.00 N ATOM 207 CA LYS A 16 8.532 8.563 -0.990 1.00 0.00 C ATOM 208 C LYS A 16 8.254 7.547 0.114 1.00 0.00 C ATOM 209 O LYS A 16 8.799 6.444 0.112 1.00 0.00 O ATOM 210 CB LYS A 16 9.732 9.451 -0.626 1.00 0.00 C ATOM 211 CG LYS A 16 9.823 9.809 0.852 1.00 0.00 C ATOM 212 CD LYS A 16 11.075 10.618 1.152 1.00 0.00 C ATOM 213 CE LYS A 16 11.237 10.864 2.644 1.00 0.00 C ATOM 214 NZ LYS A 16 10.665 12.177 3.058 1.00 0.00 N ATOM 0 H LYS A 16 7.498 10.383 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 16 8.774 8.016 -1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.649 8.941 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.678 10.371 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.941 10.379 1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.826 8.897 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.950 10.090 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.027 11.573 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.747 10.064 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.295 10.831 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.183 12.536 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.751 12.856 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.661 12.057 3.303 1.00 0.00 H new ATOM 228 N GLU A 17 7.389 7.928 1.048 1.00 0.00 N ATOM 229 CA GLU A 17 7.023 7.049 2.151 1.00 0.00 C ATOM 230 C GLU A 17 6.260 5.841 1.627 1.00 0.00 C ATOM 231 O GLU A 17 6.543 4.702 1.999 1.00 0.00 O ATOM 232 CB GLU A 17 6.176 7.801 3.180 1.00 0.00 C ATOM 233 CG GLU A 17 6.820 7.880 4.555 1.00 0.00 C ATOM 234 CD GLU A 17 7.891 8.951 4.635 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.534 10.147 4.656 1.00 0.00 O ATOM 236 OE2 GLU A 17 9.087 8.593 4.678 1.00 0.00 O ATOM 0 H GLU A 17 6.929 8.838 1.063 1.00 0.00 H new ATOM 0 HA GLU A 17 7.936 6.707 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.989 8.811 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.207 7.310 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.052 8.083 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.258 6.913 4.803 1.00 0.00 H new ATOM 243 N PHE A 18 5.288 6.103 0.763 1.00 0.00 N ATOM 244 CA PHE A 18 4.475 5.044 0.185 1.00 0.00 C ATOM 245 C PHE A 18 5.320 4.112 -0.678 1.00 0.00 C ATOM 246 O PHE A 18 5.249 2.895 -0.541 1.00 0.00 O ATOM 247 CB PHE A 18 3.340 5.646 -0.655 1.00 0.00 C ATOM 248 CG PHE A 18 1.984 5.019 -0.436 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.834 3.837 0.281 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.850 5.624 -0.956 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.583 3.279 0.472 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.402 5.070 -0.768 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.535 3.895 -0.053 1.00 0.00 C ATOM 0 H PHE A 18 5.044 7.042 0.447 1.00 0.00 H new ATOM 0 HA PHE A 18 4.049 4.462 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.271 6.711 -0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.600 5.554 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.705 3.349 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.947 6.542 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.481 2.361 1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.275 5.555 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.512 3.459 0.095 1.00 0.00 H new ATOM 263 N SER A 19 6.119 4.689 -1.572 1.00 0.00 N ATOM 264 CA SER A 19 6.964 3.895 -2.458 1.00 0.00 C ATOM 265 C SER A 19 7.856 2.949 -1.662 1.00 0.00 C ATOM 266 O SER A 19 7.899 1.747 -1.928 1.00 0.00 O ATOM 267 CB SER A 19 7.824 4.810 -3.332 1.00 0.00 C ATOM 268 OG SER A 19 8.738 5.556 -2.549 1.00 0.00 O ATOM 0 H SER A 19 6.199 5.698 -1.701 1.00 0.00 H new ATOM 0 HA SER A 19 6.313 3.298 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.370 4.212 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.182 5.490 -3.893 1.00 0.00 H new ATOM 0 HG SER A 19 9.276 6.131 -3.133 1.00 0.00 H new ATOM 274 N VAL A 20 8.564 3.497 -0.683 1.00 0.00 N ATOM 275 CA VAL A 20 9.450 2.697 0.150 1.00 0.00 C ATOM 276 C VAL A 20 8.673 1.627 0.911 1.00 0.00 C ATOM 277 O VAL A 20 9.131 0.494 1.043 1.00 0.00 O ATOM 278 CB VAL A 20 10.220 3.574 1.157 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.238 2.743 1.925 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.900 4.734 0.445 1.00 0.00 C ATOM 0 H VAL A 20 8.542 4.489 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 20 10.163 2.216 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 20 9.506 3.983 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.771 3.381 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.724 1.950 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.949 2.302 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.438 5.342 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.601 4.347 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.148 5.346 -0.054 1.00 0.00 H new ATOM 290 N LEU A 21 7.497 1.991 1.414 1.00 0.00 N ATOM 291 CA LEU A 21 6.669 1.054 2.169 1.00 0.00 C ATOM 292 C LEU A 21 6.202 -0.103 1.285 1.00 0.00 C ATOM 293 O LEU A 21 6.263 -1.264 1.687 1.00 0.00 O ATOM 294 CB LEU A 21 5.462 1.796 2.756 1.00 0.00 C ATOM 295 CG LEU A 21 4.336 0.912 3.305 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.328 0.938 4.825 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.989 1.367 2.761 1.00 0.00 C ATOM 0 H LEU A 21 7.097 2.924 1.314 1.00 0.00 H new ATOM 0 HA LEU A 21 7.266 0.635 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.813 2.444 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.046 2.443 1.983 1.00 0.00 H new ATOM 0 HG LEU A 21 4.515 -0.112 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.522 0.305 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.282 0.568 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.174 1.960 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.201 0.729 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.806 2.399 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.994 1.299 1.673 1.00 0.00 H new ATOM 309 N LEU A 22 5.726 0.224 0.090 1.00 0.00 N ATOM 310 CA LEU A 22 5.235 -0.790 -0.839 1.00 0.00 C ATOM 311 C LEU A 22 6.350 -1.748 -1.255 1.00 0.00 C ATOM 312 O LEU A 22 6.117 -2.944 -1.433 1.00 0.00 O ATOM 313 CB LEU A 22 4.617 -0.129 -2.072 1.00 0.00 C ATOM 314 CG LEU A 22 3.509 0.883 -1.770 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.180 1.703 -3.005 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.267 0.177 -1.246 1.00 0.00 C ATOM 0 H LEU A 22 5.669 1.181 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 22 4.467 -1.369 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.406 0.373 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.213 -0.907 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 22 3.868 1.562 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.390 2.416 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.069 2.242 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.844 1.041 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.491 0.913 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.906 -0.528 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.513 -0.360 -0.330 1.00 0.00 H new ATOM 328 N ASN A 23 7.560 -1.219 -1.411 1.00 0.00 N ATOM 329 CA ASN A 23 8.705 -2.033 -1.809 1.00 0.00 C ATOM 330 C ASN A 23 9.328 -2.753 -0.611 1.00 0.00 C ATOM 331 O ASN A 23 10.014 -3.762 -0.773 1.00 0.00 O ATOM 332 CB ASN A 23 9.760 -1.163 -2.492 1.00 0.00 C ATOM 333 CG ASN A 23 9.300 -0.649 -3.842 1.00 0.00 C ATOM 334 OD1 ASN A 23 8.113 -0.397 -4.052 1.00 0.00 O ATOM 335 ND2 ASN A 23 10.240 -0.494 -4.767 1.00 0.00 N ATOM 0 H ASN A 23 7.773 -0.232 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 23 8.345 -2.787 -2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.002 -0.318 -1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.676 -1.740 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.991 -0.154 -5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.212 -0.715 -4.549 1.00 0.00 H new ATOM 342 N GLN A 24 9.095 -2.224 0.586 1.00 0.00 N ATOM 343 CA GLN A 24 9.645 -2.809 1.805 1.00 0.00 C ATOM 344 C GLN A 24 8.543 -3.287 2.748 1.00 0.00 C ATOM 345 O GLN A 24 8.765 -3.410 3.952 1.00 0.00 O ATOM 346 CB GLN A 24 10.552 -1.806 2.524 1.00 0.00 C ATOM 347 CG GLN A 24 12.033 -2.110 2.377 1.00 0.00 C ATOM 348 CD GLN A 24 12.886 -0.856 2.354 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.803 -0.730 1.542 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.589 0.078 3.249 1.00 0.00 N ATOM 0 H GLN A 24 8.528 -1.390 0.738 1.00 0.00 H new ATOM 0 HA GLN A 24 10.236 -3.676 1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.355 -0.807 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.296 -1.792 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.353 -2.748 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.195 -2.672 1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.820 -0.069 3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.129 0.942 3.283 1.00 0.00 H new ATOM 359 N GLN A 25 7.352 -3.535 2.207 1.00 0.00 N ATOM 360 CA GLN A 25 6.213 -3.981 3.014 1.00 0.00 C ATOM 361 C GLN A 25 6.426 -5.379 3.620 1.00 0.00 C ATOM 362 O GLN A 25 5.477 -6.151 3.734 1.00 0.00 O ATOM 363 CB GLN A 25 4.939 -3.973 2.164 1.00 0.00 C ATOM 364 CG GLN A 25 3.809 -3.156 2.768 1.00 0.00 C ATOM 365 CD GLN A 25 3.064 -3.907 3.853 1.00 0.00 C ATOM 366 OE1 GLN A 25 2.161 -4.696 3.570 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.436 -3.665 5.104 1.00 0.00 N ATOM 0 H GLN A 25 7.148 -3.435 1.213 1.00 0.00 H new ATOM 0 HA GLN A 25 6.115 -3.282 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.174 -3.577 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.599 -4.999 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.214 -2.233 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.110 -2.872 1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.189 -3.004 5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.969 -4.140 5.876 1.00 0.00 H new ATOM 376 N VAL A 26 7.664 -5.677 4.030 1.00 0.00 N ATOM 377 CA VAL A 26 8.023 -6.958 4.655 1.00 0.00 C ATOM 378 C VAL A 26 7.193 -8.143 4.151 1.00 0.00 C ATOM 379 O VAL A 26 5.998 -8.245 4.429 1.00 0.00 O ATOM 380 CB VAL A 26 7.883 -6.876 6.187 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.468 -8.115 6.846 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.549 -5.614 6.719 1.00 0.00 C ATOM 0 H VAL A 26 8.450 -5.034 3.938 1.00 0.00 H new ATOM 0 HA VAL A 26 9.060 -7.137 4.371 1.00 0.00 H new ATOM 0 HB VAL A 26 6.822 -6.830 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.359 -8.037 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.940 -9.000 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.525 -8.197 6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.439 -5.574 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.608 -5.625 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.077 -4.738 6.274 1.00 0.00 H new ATOM 392 N PHE A 27 7.844 -9.057 3.433 1.00 0.00 N ATOM 393 CA PHE A 27 7.173 -10.246 2.917 1.00 0.00 C ATOM 394 C PHE A 27 7.602 -11.481 3.691 1.00 0.00 C ATOM 395 O PHE A 27 8.640 -12.081 3.415 1.00 0.00 O ATOM 396 CB PHE A 27 7.470 -10.417 1.426 1.00 0.00 C ATOM 397 CG PHE A 27 7.251 -9.162 0.625 1.00 0.00 C ATOM 398 CD1 PHE A 27 6.005 -8.870 0.088 1.00 0.00 C ATOM 399 CD2 PHE A 27 8.291 -8.271 0.415 1.00 0.00 C ATOM 400 CE1 PHE A 27 5.804 -7.716 -0.643 1.00 0.00 C ATOM 401 CE2 PHE A 27 8.094 -7.113 -0.314 1.00 0.00 C ATOM 402 CZ PHE A 27 6.848 -6.836 -0.844 1.00 0.00 C ATOM 0 H PHE A 27 8.834 -8.996 3.196 1.00 0.00 H new ATOM 0 HA PHE A 27 6.098 -10.120 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.503 -10.741 1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.838 -11.210 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.183 -9.553 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.267 -8.484 0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.830 -7.502 -1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.913 -6.426 -0.469 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.692 -5.932 -1.414 1.00 0.00 H new ATOM 412 N ASN A 28 6.788 -11.838 4.675 1.00 0.00 N ATOM 413 CA ASN A 28 7.066 -12.987 5.520 1.00 0.00 C ATOM 414 C ASN A 28 5.924 -13.994 5.491 1.00 0.00 C ATOM 415 O ASN A 28 4.767 -13.638 5.273 1.00 0.00 O ATOM 416 CB ASN A 28 7.316 -12.529 6.959 1.00 0.00 C ATOM 417 CG ASN A 28 8.527 -13.200 7.580 1.00 0.00 C ATOM 418 OD1 ASN A 28 9.613 -12.623 7.628 1.00 0.00 O ATOM 419 ND2 ASN A 28 8.344 -14.424 8.062 1.00 0.00 N ATOM 0 H ASN A 28 5.926 -11.344 4.907 1.00 0.00 H new ATOM 0 HA ASN A 28 7.958 -13.478 5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.456 -11.448 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.435 -12.745 7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.122 -14.924 8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.426 -14.864 8.001 1.00 0.00 H new ATOM 426 N ASP A 29 6.272 -15.250 5.730 1.00 0.00 N ATOM 427 CA ASP A 29 5.300 -16.342 5.759 1.00 0.00 C ATOM 428 C ASP A 29 5.056 -16.789 7.207 1.00 0.00 C ATOM 429 O ASP A 29 5.999 -16.862 7.994 1.00 0.00 O ATOM 430 CB ASP A 29 5.802 -17.526 4.927 1.00 0.00 C ATOM 431 CG ASP A 29 7.191 -17.975 5.333 1.00 0.00 C ATOM 432 OD1 ASP A 29 8.175 -17.408 4.814 1.00 0.00 O ATOM 433 OD2 ASP A 29 7.296 -18.895 6.171 1.00 0.00 O ATOM 0 H ASP A 29 7.232 -15.544 5.909 1.00 0.00 H new ATOM 0 HA ASP A 29 4.363 -15.985 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.109 -18.360 5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.807 -17.249 3.873 1.00 0.00 H new ATOM 438 N PRO A 30 3.795 -17.096 7.596 1.00 0.00 N ATOM 439 CA PRO A 30 2.617 -17.034 6.716 1.00 0.00 C ATOM 440 C PRO A 30 2.435 -15.663 6.082 1.00 0.00 C ATOM 441 O PRO A 30 3.027 -14.680 6.525 1.00 0.00 O ATOM 442 CB PRO A 30 1.439 -17.354 7.649 1.00 0.00 C ATOM 443 CG PRO A 30 1.973 -17.186 9.030 1.00 0.00 C ATOM 444 CD PRO A 30 3.429 -17.534 8.949 1.00 0.00 C ATOM 0 HA PRO A 30 2.708 -17.725 5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.600 -16.682 7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.075 -18.369 7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.834 -16.164 9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.453 -17.838 9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.011 -17.018 9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.598 -18.602 9.088 1.00 0.00 H new ATOM 452 N LEU A 31 1.622 -15.609 5.036 1.00 0.00 N ATOM 453 CA LEU A 31 1.374 -14.361 4.329 1.00 0.00 C ATOM 454 C LEU A 31 -0.037 -13.849 4.572 1.00 0.00 C ATOM 455 O LEU A 31 -0.966 -14.625 4.794 1.00 0.00 O ATOM 456 CB LEU A 31 1.604 -14.552 2.831 1.00 0.00 C ATOM 457 CG LEU A 31 3.051 -14.856 2.434 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.194 -16.305 1.997 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.510 -13.921 1.328 1.00 0.00 C ATOM 0 H LEU A 31 1.123 -16.415 4.659 1.00 0.00 H new ATOM 0 HA LEU A 31 2.072 -13.618 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.968 -15.366 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.282 -13.650 2.311 1.00 0.00 H new ATOM 0 HG LEU A 31 3.684 -14.695 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.230 -16.501 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.908 -16.963 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.547 -16.492 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.541 -14.153 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.870 -14.049 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.449 -12.889 1.675 1.00 0.00 H new ATOM 471 N VAL A 32 -0.187 -12.532 4.514 1.00 0.00 N ATOM 472 CA VAL A 32 -1.479 -11.897 4.712 1.00 0.00 C ATOM 473 C VAL A 32 -2.344 -12.055 3.465 1.00 0.00 C ATOM 474 O VAL A 32 -1.826 -12.135 2.351 1.00 0.00 O ATOM 475 CB VAL A 32 -1.311 -10.400 5.039 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.664 -9.664 3.875 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.649 -9.778 5.397 1.00 0.00 C ATOM 0 H VAL A 32 0.577 -11.881 4.330 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.969 -12.386 5.554 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.653 -10.309 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.555 -8.609 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.318 -10.093 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.291 -9.762 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.510 -8.721 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.335 -9.881 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.065 -10.285 6.268 1.00 0.00 H new ATOM 487 N SER A 33 -3.657 -12.130 3.653 1.00 0.00 N ATOM 488 CA SER A 33 -4.572 -12.316 2.531 1.00 0.00 C ATOM 489 C SER A 33 -4.827 -11.006 1.795 1.00 0.00 C ATOM 490 O SER A 33 -4.391 -9.938 2.226 1.00 0.00 O ATOM 491 CB SER A 33 -5.896 -12.902 3.022 1.00 0.00 C ATOM 492 OG SER A 33 -5.770 -14.285 3.301 1.00 0.00 O ATOM 0 H SER A 33 -4.110 -12.065 4.565 1.00 0.00 H new ATOM 0 HA SER A 33 -4.104 -13.010 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.220 -12.375 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.667 -12.749 2.267 1.00 0.00 H new ATOM 0 HG SER A 33 -6.630 -14.635 3.615 1.00 0.00 H new ATOM 498 N GLU A 34 -5.522 -11.106 0.667 1.00 0.00 N ATOM 499 CA GLU A 34 -5.830 -9.944 -0.158 1.00 0.00 C ATOM 500 C GLU A 34 -6.798 -8.996 0.541 1.00 0.00 C ATOM 501 O GLU A 34 -6.656 -7.777 0.450 1.00 0.00 O ATOM 502 CB GLU A 34 -6.406 -10.392 -1.504 1.00 0.00 C ATOM 503 CG GLU A 34 -5.549 -9.991 -2.694 1.00 0.00 C ATOM 504 CD GLU A 34 -6.348 -9.301 -3.782 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.684 -8.111 -3.608 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.636 -9.951 -4.809 1.00 0.00 O ATOM 0 H GLU A 34 -5.885 -11.986 0.301 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.900 -9.400 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.521 -11.476 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.402 -9.966 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.753 -9.327 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.070 -10.878 -3.108 1.00 0.00 H new ATOM 513 N GLU A 35 -7.776 -9.554 1.244 1.00 0.00 N ATOM 514 CA GLU A 35 -8.756 -8.742 1.958 1.00 0.00 C ATOM 515 C GLU A 35 -8.087 -7.986 3.099 1.00 0.00 C ATOM 516 O GLU A 35 -8.411 -6.827 3.374 1.00 0.00 O ATOM 517 CB GLU A 35 -9.882 -9.622 2.502 1.00 0.00 C ATOM 518 CG GLU A 35 -10.648 -10.366 1.422 1.00 0.00 C ATOM 519 CD GLU A 35 -11.860 -9.596 0.933 1.00 0.00 C ATOM 520 OE1 GLU A 35 -12.943 -9.751 1.536 1.00 0.00 O ATOM 521 OE2 GLU A 35 -11.726 -8.841 -0.052 1.00 0.00 O ATOM 0 H GLU A 35 -7.912 -10.561 1.335 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.181 -8.021 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.461 -10.345 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.577 -9.000 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.984 -10.564 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.968 -11.333 1.809 1.00 0.00 H new ATOM 528 N ASP A 36 -7.132 -8.645 3.745 1.00 0.00 N ATOM 529 CA ASP A 36 -6.396 -8.035 4.840 1.00 0.00 C ATOM 530 C ASP A 36 -5.512 -6.918 4.302 1.00 0.00 C ATOM 531 O ASP A 36 -5.391 -5.856 4.913 1.00 0.00 O ATOM 532 CB ASP A 36 -5.553 -9.080 5.567 1.00 0.00 C ATOM 533 CG ASP A 36 -6.353 -9.853 6.597 1.00 0.00 C ATOM 534 OD1 ASP A 36 -7.142 -10.734 6.196 1.00 0.00 O ATOM 535 OD2 ASP A 36 -6.190 -9.578 7.804 1.00 0.00 O ATOM 0 H ASP A 36 -6.851 -9.601 3.528 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.105 -7.616 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.134 -9.775 4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.713 -8.588 6.058 1.00 0.00 H new ATOM 540 N MET A 37 -4.916 -7.158 3.136 1.00 0.00 N ATOM 541 CA MET A 37 -4.067 -6.164 2.499 1.00 0.00 C ATOM 542 C MET A 37 -4.911 -4.967 2.083 1.00 0.00 C ATOM 543 O MET A 37 -4.510 -3.817 2.260 1.00 0.00 O ATOM 544 CB MET A 37 -3.356 -6.760 1.281 1.00 0.00 C ATOM 545 CG MET A 37 -2.533 -5.746 0.498 1.00 0.00 C ATOM 546 SD MET A 37 -0.756 -5.985 0.697 1.00 0.00 S ATOM 547 CE MET A 37 -0.542 -5.548 2.421 1.00 0.00 C ATOM 0 H MET A 37 -5.007 -8.031 2.617 1.00 0.00 H new ATOM 0 HA MET A 37 -3.307 -5.841 3.210 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.703 -7.568 1.611 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.099 -7.202 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.788 -5.816 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.798 -4.740 0.824 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.246 -6.162 2.857 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.267 -4.496 2.498 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.475 -5.720 2.958 1.00 0.00 H new ATOM 557 N VAL A 38 -6.098 -5.250 1.545 1.00 0.00 N ATOM 558 CA VAL A 38 -7.011 -4.199 1.123 1.00 0.00 C ATOM 559 C VAL A 38 -7.297 -3.262 2.288 1.00 0.00 C ATOM 560 O VAL A 38 -7.212 -2.041 2.151 1.00 0.00 O ATOM 561 CB VAL A 38 -8.340 -4.779 0.593 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.294 -3.663 0.189 1.00 0.00 C ATOM 563 CG2 VAL A 38 -8.084 -5.717 -0.579 1.00 0.00 C ATOM 0 H VAL A 38 -6.445 -6.197 1.393 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.532 -3.650 0.313 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.807 -5.350 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.224 -4.095 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.505 -3.034 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.837 -3.060 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.032 -6.116 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.592 -5.169 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.444 -6.538 -0.255 1.00 0.00 H new ATOM 573 N THR A 39 -7.618 -3.840 3.444 1.00 0.00 N ATOM 574 CA THR A 39 -7.890 -3.049 4.637 1.00 0.00 C ATOM 575 C THR A 39 -6.682 -2.184 4.975 1.00 0.00 C ATOM 576 O THR A 39 -6.813 -0.990 5.240 1.00 0.00 O ATOM 577 CB THR A 39 -8.236 -3.959 5.819 1.00 0.00 C ATOM 578 OG1 THR A 39 -7.989 -5.317 5.498 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.680 -3.846 6.257 1.00 0.00 C ATOM 0 H THR A 39 -7.695 -4.848 3.577 1.00 0.00 H new ATOM 0 HA THR A 39 -8.745 -2.403 4.439 1.00 0.00 H new ATOM 0 HB THR A 39 -7.597 -3.625 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.024 -5.461 5.407 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.859 -4.516 7.098 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.889 -2.820 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.334 -4.120 5.429 1.00 0.00 H new ATOM 587 N VAL A 40 -5.501 -2.799 4.957 1.00 0.00 N ATOM 588 CA VAL A 40 -4.263 -2.089 5.253 1.00 0.00 C ATOM 589 C VAL A 40 -4.100 -0.881 4.336 1.00 0.00 C ATOM 590 O VAL A 40 -3.883 0.237 4.800 1.00 0.00 O ATOM 591 CB VAL A 40 -3.034 -3.007 5.100 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.768 -2.286 5.536 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.225 -4.293 5.892 1.00 0.00 C ATOM 0 H VAL A 40 -5.378 -3.788 4.740 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.326 -1.756 6.289 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.929 -3.268 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.912 -2.951 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.624 -1.399 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.859 -1.991 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.347 -4.928 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.358 -4.054 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.106 -4.819 5.525 1.00 0.00 H new ATOM 603 N VAL A 41 -4.218 -1.113 3.031 1.00 0.00 N ATOM 604 CA VAL A 41 -4.096 -0.037 2.055 1.00 0.00 C ATOM 605 C VAL A 41 -5.174 1.015 2.285 1.00 0.00 C ATOM 606 O VAL A 41 -4.908 2.216 2.237 1.00 0.00 O ATOM 607 CB VAL A 41 -4.205 -0.565 0.612 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.946 0.552 -0.388 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.240 -1.722 0.392 1.00 0.00 C ATOM 0 H VAL A 41 -4.397 -2.033 2.628 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.111 0.409 2.188 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.219 -0.933 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.027 0.159 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.680 1.345 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.944 0.953 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.331 -2.082 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.219 -1.383 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.478 -2.531 1.083 1.00 0.00 H new ATOM 619 N GLU A 42 -6.393 0.551 2.544 1.00 0.00 N ATOM 620 CA GLU A 42 -7.516 1.447 2.791 1.00 0.00 C ATOM 621 C GLU A 42 -7.220 2.358 3.979 1.00 0.00 C ATOM 622 O GLU A 42 -7.369 3.576 3.893 1.00 0.00 O ATOM 623 CB GLU A 42 -8.792 0.641 3.050 1.00 0.00 C ATOM 624 CG GLU A 42 -9.954 1.036 2.154 1.00 0.00 C ATOM 625 CD GLU A 42 -11.267 1.126 2.909 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.631 0.141 3.586 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.930 2.181 2.822 1.00 0.00 O ATOM 0 H GLU A 42 -6.627 -0.441 2.588 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.665 2.066 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.578 -0.418 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.087 0.769 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.739 1.998 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.051 0.308 1.349 1.00 0.00 H new ATOM 634 N ASP A 43 -6.793 1.755 5.085 1.00 0.00 N ATOM 635 CA ASP A 43 -6.467 2.509 6.289 1.00 0.00 C ATOM 636 C ASP A 43 -5.364 3.521 6.001 1.00 0.00 C ATOM 637 O ASP A 43 -5.463 4.683 6.385 1.00 0.00 O ATOM 638 CB ASP A 43 -6.030 1.562 7.408 1.00 0.00 C ATOM 639 CG ASP A 43 -6.565 1.984 8.763 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.798 1.943 8.953 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.750 2.356 9.634 1.00 0.00 O ATOM 0 H ASP A 43 -6.665 0.747 5.171 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.359 3.046 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.375 0.553 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.941 1.526 7.445 1.00 0.00 H new ATOM 646 N TRP A 44 -4.320 3.068 5.313 1.00 0.00 N ATOM 647 CA TRP A 44 -3.197 3.931 4.960 1.00 0.00 C ATOM 648 C TRP A 44 -3.665 5.089 4.087 1.00 0.00 C ATOM 649 O TRP A 44 -3.210 6.221 4.241 1.00 0.00 O ATOM 650 CB TRP A 44 -2.131 3.126 4.212 1.00 0.00 C ATOM 651 CG TRP A 44 -1.231 2.336 5.112 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.959 2.586 6.427 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.480 1.166 4.762 1.00 0.00 C ATOM 654 NE1 TRP A 44 -0.086 1.644 6.915 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.223 0.762 5.913 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.334 0.420 3.586 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.057 -0.353 5.922 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.494 -0.686 3.599 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.181 -1.063 4.759 1.00 0.00 C ATOM 0 H TRP A 44 -4.228 2.106 4.988 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.770 4.332 5.880 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.623 2.446 3.517 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.526 3.808 3.615 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.370 3.404 6.999 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.274 1.607 7.869 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.859 0.704 2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.587 -0.647 6.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.613 -1.270 2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.822 -1.932 4.735 1.00 0.00 H new ATOM 670 N MET A 45 -4.568 4.790 3.158 1.00 0.00 N ATOM 671 CA MET A 45 -5.089 5.799 2.246 1.00 0.00 C ATOM 672 C MET A 45 -5.943 6.831 2.972 1.00 0.00 C ATOM 673 O MET A 45 -5.815 8.032 2.721 1.00 0.00 O ATOM 674 CB MET A 45 -5.903 5.138 1.131 1.00 0.00 C ATOM 675 CG MET A 45 -6.485 6.126 0.131 1.00 0.00 C ATOM 676 SD MET A 45 -6.279 5.591 -1.579 1.00 0.00 S ATOM 677 CE MET A 45 -6.995 3.951 -1.511 1.00 0.00 C ATOM 0 H MET A 45 -4.953 3.856 3.018 1.00 0.00 H new ATOM 0 HA MET A 45 -4.235 6.319 1.811 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.267 4.429 0.600 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.716 4.565 1.577 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.546 6.264 0.339 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.006 7.096 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.317 3.653 -2.509 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.251 3.244 -1.143 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.853 3.956 -0.839 1.00 0.00 H new ATOM 687 N ASN A 46 -6.799 6.382 3.885 1.00 0.00 N ATOM 688 CA ASN A 46 -7.639 7.301 4.638 1.00 0.00 C ATOM 689 C ASN A 46 -6.797 8.039 5.666 1.00 0.00 C ATOM 690 O ASN A 46 -7.027 9.215 5.949 1.00 0.00 O ATOM 691 CB ASN A 46 -8.778 6.545 5.327 1.00 0.00 C ATOM 692 CG ASN A 46 -10.141 7.109 4.980 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.379 8.310 5.107 1.00 0.00 O ATOM 694 ND2 ASN A 46 -11.045 6.244 4.536 1.00 0.00 N ATOM 0 H ASN A 46 -6.927 5.397 4.118 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.077 8.024 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.739 5.494 5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.636 6.585 6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.979 6.567 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.805 5.257 4.446 1.00 0.00 H new ATOM 701 N PHE A 47 -5.807 7.339 6.210 1.00 0.00 N ATOM 702 CA PHE A 47 -4.914 7.928 7.193 1.00 0.00 C ATOM 703 C PHE A 47 -4.125 9.061 6.557 1.00 0.00 C ATOM 704 O PHE A 47 -3.979 10.130 7.141 1.00 0.00 O ATOM 705 CB PHE A 47 -3.949 6.871 7.757 1.00 0.00 C ATOM 706 CG PHE A 47 -2.509 7.314 7.777 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.069 8.240 8.709 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.604 6.819 6.851 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.754 8.665 8.718 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.287 7.238 6.857 1.00 0.00 C ATOM 711 CZ PHE A 47 0.138 8.162 7.790 1.00 0.00 C ATOM 0 H PHE A 47 -5.605 6.365 5.985 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.514 8.320 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.256 6.617 8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.032 5.962 7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.762 8.634 9.437 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.932 6.098 6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.424 9.389 9.449 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.409 6.843 6.132 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.166 8.492 7.795 1.00 0.00 H new ATOM 721 N TYR A 48 -3.607 8.812 5.358 1.00 0.00 N ATOM 722 CA TYR A 48 -2.820 9.810 4.653 1.00 0.00 C ATOM 723 C TYR A 48 -3.666 11.014 4.277 1.00 0.00 C ATOM 724 O TYR A 48 -3.253 12.151 4.475 1.00 0.00 O ATOM 725 CB TYR A 48 -2.181 9.205 3.402 1.00 0.00 C ATOM 726 CG TYR A 48 -0.796 8.644 3.636 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.205 9.427 4.195 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.490 7.333 3.293 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.473 8.919 4.408 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.775 6.818 3.504 1.00 0.00 C ATOM 731 CZ TYR A 48 1.752 7.614 4.060 1.00 0.00 C ATOM 732 OH TYR A 48 3.013 7.105 4.270 1.00 0.00 O ATOM 0 H TYR A 48 -3.719 7.930 4.858 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.031 10.146 5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.825 8.412 3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.127 9.969 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.010 10.450 4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.253 6.706 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.241 9.541 4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.997 5.796 3.234 1.00 0.00 H new ATOM 0 HH TYR A 48 3.043 6.172 3.972 1.00 0.00 H new ATOM 742 N ILE A 49 -4.846 10.770 3.727 1.00 0.00 N ATOM 743 CA ILE A 49 -5.718 11.865 3.332 1.00 0.00 C ATOM 744 C ILE A 49 -6.047 12.753 4.533 1.00 0.00 C ATOM 745 O ILE A 49 -5.802 13.961 4.510 1.00 0.00 O ATOM 746 CB ILE A 49 -7.020 11.331 2.681 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.905 11.392 1.159 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.245 12.108 3.150 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.731 12.798 0.626 1.00 0.00 C ATOM 0 H ILE A 49 -5.218 9.838 3.546 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.189 12.465 2.592 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.149 10.295 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.058 10.783 0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.798 10.951 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.137 11.704 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.341 12.018 4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.134 13.159 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.656 12.768 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.589 13.405 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.822 13.234 1.041 1.00 0.00 H new ATOM 761 N ASN A 50 -6.582 12.142 5.586 1.00 0.00 N ATOM 762 CA ASN A 50 -6.931 12.871 6.799 1.00 0.00 C ATOM 763 C ASN A 50 -5.690 13.485 7.437 1.00 0.00 C ATOM 764 O ASN A 50 -5.711 14.627 7.895 1.00 0.00 O ATOM 765 CB ASN A 50 -7.622 11.940 7.797 1.00 0.00 C ATOM 766 CG ASN A 50 -8.569 12.682 8.719 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.438 13.428 8.267 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.405 12.481 10.021 1.00 0.00 N ATOM 0 H ASN A 50 -6.783 11.143 5.623 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.616 13.674 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.175 11.174 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.868 11.426 8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.012 12.954 10.690 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.672 11.854 10.352 1.00 0.00 H new ATOM 775 N TYR A 51 -4.612 12.712 7.464 1.00 0.00 N ATOM 776 CA TYR A 51 -3.353 13.157 8.044 1.00 0.00 C ATOM 777 C TYR A 51 -2.832 14.396 7.321 1.00 0.00 C ATOM 778 O TYR A 51 -2.449 15.383 7.950 1.00 0.00 O ATOM 779 CB TYR A 51 -2.345 12.009 7.965 1.00 0.00 C ATOM 780 CG TYR A 51 -0.937 12.357 8.379 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.679 13.097 9.525 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.140 11.926 7.618 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.617 13.399 9.899 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.434 12.222 7.981 1.00 0.00 C ATOM 785 CZ TYR A 51 1.671 12.959 9.123 1.00 0.00 C ATOM 786 OH TYR A 51 2.963 13.256 9.491 1.00 0.00 O ATOM 0 H TYR A 51 -4.586 11.765 7.087 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.506 13.433 9.087 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.700 11.192 8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.323 11.636 6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.503 13.442 10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.040 11.347 6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.804 13.976 10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.260 11.879 7.375 1.00 0.00 H new ATOM 0 HH TYR A 51 3.585 12.872 8.839 1.00 0.00 H new ATOM 796 N TYR A 52 -2.808 14.327 5.998 1.00 0.00 N ATOM 797 CA TYR A 52 -2.325 15.424 5.172 1.00 0.00 C ATOM 798 C TYR A 52 -3.180 16.680 5.280 1.00 0.00 C ATOM 799 O TYR A 52 -2.652 17.789 5.202 1.00 0.00 O ATOM 800 CB TYR A 52 -2.247 14.986 3.720 1.00 0.00 C ATOM 801 CG TYR A 52 -0.876 14.516 3.332 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.523 13.187 3.469 1.00 0.00 C ATOM 803 CD2 TYR A 52 0.063 15.401 2.826 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.728 12.746 3.115 1.00 0.00 C ATOM 805 CE2 TYR A 52 1.320 14.968 2.464 1.00 0.00 C ATOM 806 CZ TYR A 52 1.651 13.639 2.609 1.00 0.00 C ATOM 807 OH TYR A 52 2.906 13.204 2.252 1.00 0.00 O ATOM 0 H TYR A 52 -3.121 13.513 5.469 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.334 15.680 5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.964 14.184 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.537 15.817 3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.243 12.484 3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.194 16.444 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.989 11.705 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.042 15.667 2.069 1.00 0.00 H new ATOM 0 HH TYR A 52 3.425 13.957 1.899 1.00 0.00 H new ATOM 817 N ARG A 53 -4.487 16.530 5.464 1.00 0.00 N ATOM 818 CA ARG A 53 -5.348 17.703 5.578 1.00 0.00 C ATOM 819 C ARG A 53 -4.866 18.608 6.708 1.00 0.00 C ATOM 820 O ARG A 53 -5.128 19.810 6.706 1.00 0.00 O ATOM 821 CB ARG A 53 -6.806 17.302 5.825 1.00 0.00 C ATOM 822 CG ARG A 53 -7.272 16.122 4.993 1.00 0.00 C ATOM 823 CD ARG A 53 -8.732 16.260 4.591 1.00 0.00 C ATOM 824 NE ARG A 53 -9.634 16.087 5.729 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.187 17.093 6.405 1.00 0.00 C ATOM 826 NH1 ARG A 53 -9.938 18.354 6.070 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.996 16.837 7.425 1.00 0.00 N ATOM 0 H ARG A 53 -4.965 15.632 5.536 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.295 18.245 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.932 17.061 6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.448 18.158 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.654 16.041 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.136 15.201 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.894 17.242 4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.968 15.521 3.826 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.854 15.136 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.317 18.561 5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.367 19.116 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.193 15.872 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.421 17.605 7.944 1.00 0.00 H new ATOM 841 N GLN A 54 -4.192 18.013 7.689 1.00 0.00 N ATOM 842 CA GLN A 54 -3.709 18.756 8.845 1.00 0.00 C ATOM 843 C GLN A 54 -2.228 19.134 8.752 1.00 0.00 C ATOM 844 O GLN A 54 -1.765 19.984 9.513 1.00 0.00 O ATOM 845 CB GLN A 54 -3.935 17.928 10.110 1.00 0.00 C ATOM 846 CG GLN A 54 -5.321 18.099 10.709 1.00 0.00 C ATOM 847 CD GLN A 54 -5.469 17.398 12.045 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.740 18.032 13.065 1.00 0.00 O ATOM 849 NE2 GLN A 54 -5.290 16.082 12.046 1.00 0.00 N ATOM 0 H GLN A 54 -3.969 17.018 7.705 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.274 19.688 8.876 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.776 16.875 9.878 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.189 18.207 10.855 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.530 19.161 10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.064 17.709 10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.067 15.597 11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.376 15.556 12.916 1.00 0.00 H new ATOM 858 N GLN A 55 -1.469 18.504 7.855 1.00 0.00 N ATOM 859 CA GLN A 55 -0.041 18.808 7.748 1.00 0.00 C ATOM 860 C GLN A 55 0.285 19.689 6.543 1.00 0.00 C ATOM 861 O GLN A 55 1.318 19.513 5.899 1.00 0.00 O ATOM 862 CB GLN A 55 0.783 17.519 7.699 1.00 0.00 C ATOM 863 CG GLN A 55 0.670 16.751 6.398 1.00 0.00 C ATOM 864 CD GLN A 55 0.528 15.261 6.632 1.00 0.00 C ATOM 865 OE1 GLN A 55 -0.017 14.834 7.646 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.018 14.463 5.695 1.00 0.00 N ATOM 0 H GLN A 55 -1.809 17.795 7.205 1.00 0.00 H new ATOM 0 HA GLN A 55 0.226 19.373 8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.831 17.766 7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.470 16.871 8.517 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.191 17.114 5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.553 16.940 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.463 14.861 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.950 13.451 5.801 1.00 0.00 H new ATOM 875 N VAL A 56 -0.581 20.655 6.262 1.00 0.00 N ATOM 876 CA VAL A 56 -0.355 21.579 5.153 1.00 0.00 C ATOM 877 C VAL A 56 -0.049 22.972 5.694 1.00 0.00 C ATOM 878 O VAL A 56 -0.388 23.282 6.835 1.00 0.00 O ATOM 879 CB VAL A 56 -1.563 21.676 4.192 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.100 21.619 2.745 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.593 20.591 4.466 1.00 0.00 C ATOM 0 H VAL A 56 -1.442 20.820 6.783 1.00 0.00 H new ATOM 0 HA VAL A 56 0.489 21.184 4.588 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.045 22.637 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.964 21.689 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.423 22.450 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.581 20.677 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.425 20.695 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.132 19.611 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.961 20.688 5.487 1.00 0.00 H new ATOM 891 N THR A 57 0.586 23.814 4.883 1.00 0.00 N ATOM 892 CA THR A 57 0.921 25.170 5.299 1.00 0.00 C ATOM 893 C THR A 57 0.452 26.168 4.244 1.00 0.00 C ATOM 894 O THR A 57 0.032 25.772 3.157 1.00 0.00 O ATOM 895 CB THR A 57 2.431 25.304 5.512 1.00 0.00 C ATOM 896 OG1 THR A 57 2.963 24.122 6.084 1.00 0.00 O ATOM 897 CG2 THR A 57 2.811 26.460 6.412 1.00 0.00 C ATOM 0 H THR A 57 0.878 23.580 3.934 1.00 0.00 H new ATOM 0 HA THR A 57 0.416 25.383 6.241 1.00 0.00 H new ATOM 0 HB THR A 57 2.846 25.486 4.521 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.929 24.226 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.895 26.496 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.459 27.394 5.974 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.353 26.324 7.392 1.00 0.00 H new ATOM 905 N GLY A 58 0.528 27.459 4.555 1.00 0.00 N ATOM 906 CA GLY A 58 0.109 28.470 3.600 1.00 0.00 C ATOM 907 C GLY A 58 -1.371 28.786 3.687 1.00 0.00 C ATOM 908 O GLY A 58 -1.998 28.581 4.728 1.00 0.00 O ATOM 0 H GLY A 58 0.870 27.821 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.681 29.382 3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.344 28.130 2.592 1.00 0.00 H new ATOM 912 N GLU A 59 -1.930 29.287 2.590 1.00 0.00 N ATOM 913 CA GLU A 59 -3.345 29.634 2.542 1.00 0.00 C ATOM 914 C GLU A 59 -4.211 28.378 2.514 1.00 0.00 C ATOM 915 O GLU A 59 -3.735 27.294 2.179 1.00 0.00 O ATOM 916 CB GLU A 59 -3.638 30.500 1.314 1.00 0.00 C ATOM 917 CG GLU A 59 -3.500 31.990 1.576 1.00 0.00 C ATOM 918 CD GLU A 59 -2.216 32.565 1.013 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.187 32.889 -0.193 1.00 0.00 O ATOM 920 OE2 GLU A 59 -1.236 32.691 1.779 1.00 0.00 O ATOM 0 H GLU A 59 -1.424 29.462 1.722 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.587 30.200 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.960 30.216 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.650 30.293 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.350 32.512 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.534 32.171 2.650 1.00 0.00 H new ATOM 927 N PRO A 60 -5.500 28.506 2.872 1.00 0.00 N ATOM 928 CA PRO A 60 -6.433 27.373 2.893 1.00 0.00 C ATOM 929 C PRO A 60 -6.634 26.749 1.514 1.00 0.00 C ATOM 930 O PRO A 60 -6.848 25.540 1.395 1.00 0.00 O ATOM 931 CB PRO A 60 -7.742 27.988 3.399 1.00 0.00 C ATOM 932 CG PRO A 60 -7.609 29.450 3.143 1.00 0.00 C ATOM 933 CD PRO A 60 -6.147 29.760 3.289 1.00 0.00 C ATOM 0 HA PRO A 60 -6.061 26.561 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.602 27.572 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.888 27.785 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.965 29.706 2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.204 30.027 3.852 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.847 30.598 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.891 30.025 4.315 1.00 0.00 H new ATOM 941 N GLN A 61 -6.566 27.574 0.474 1.00 0.00 N ATOM 942 CA GLN A 61 -6.745 27.093 -0.892 1.00 0.00 C ATOM 943 C GLN A 61 -5.659 26.090 -1.261 1.00 0.00 C ATOM 944 O GLN A 61 -5.930 25.045 -1.861 1.00 0.00 O ATOM 945 CB GLN A 61 -6.731 28.266 -1.874 1.00 0.00 C ATOM 946 CG GLN A 61 -8.019 29.073 -1.876 1.00 0.00 C ATOM 947 CD GLN A 61 -8.996 28.608 -2.937 1.00 0.00 C ATOM 948 OE1 GLN A 61 -8.620 28.380 -4.087 1.00 0.00 O ATOM 949 NE2 GLN A 61 -10.261 28.466 -2.556 1.00 0.00 N ATOM 0 H GLN A 61 -6.389 28.576 0.550 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.711 26.592 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.899 28.926 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.549 27.885 -2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.491 29.000 -0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.784 30.125 -2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.529 28.666 -1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.964 28.157 -3.227 1.00 0.00 H new ATOM 958 N GLU A 62 -4.428 26.405 -0.885 1.00 0.00 N ATOM 959 CA GLU A 62 -3.303 25.525 -1.164 1.00 0.00 C ATOM 960 C GLU A 62 -3.516 24.179 -0.491 1.00 0.00 C ATOM 961 O GLU A 62 -3.241 23.130 -1.075 1.00 0.00 O ATOM 962 CB GLU A 62 -1.998 26.146 -0.676 1.00 0.00 C ATOM 963 CG GLU A 62 -1.569 27.368 -1.473 1.00 0.00 C ATOM 964 CD GLU A 62 -0.784 27.003 -2.719 1.00 0.00 C ATOM 965 OE1 GLU A 62 0.309 26.417 -2.582 1.00 0.00 O ATOM 966 OE2 GLU A 62 -1.264 27.305 -3.832 1.00 0.00 O ATOM 0 H GLU A 62 -4.183 27.261 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.238 25.382 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.108 26.426 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.208 25.396 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.452 27.940 -1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.961 28.015 -0.841 1.00 0.00 H new ATOM 973 N ARG A 63 -4.023 24.213 0.739 1.00 0.00 N ATOM 974 CA ARG A 63 -4.286 22.989 1.478 1.00 0.00 C ATOM 975 C ARG A 63 -5.247 22.113 0.692 1.00 0.00 C ATOM 976 O ARG A 63 -4.996 20.926 0.486 1.00 0.00 O ATOM 977 CB ARG A 63 -4.895 23.286 2.857 1.00 0.00 C ATOM 978 CG ARG A 63 -4.484 24.622 3.465 1.00 0.00 C ATOM 979 CD ARG A 63 -2.975 24.769 3.535 1.00 0.00 C ATOM 980 NE ARG A 63 -2.519 25.183 4.865 1.00 0.00 N ATOM 981 CZ ARG A 63 -2.782 24.520 5.993 1.00 0.00 C ATOM 982 NH1 ARG A 63 -3.477 23.391 5.969 1.00 0.00 N ATOM 983 NH2 ARG A 63 -2.335 24.987 7.150 1.00 0.00 N ATOM 0 H ARG A 63 -4.257 25.071 1.239 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.336 22.475 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.981 23.261 2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.611 22.488 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.901 25.435 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.905 24.710 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.507 23.821 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.649 25.502 2.797 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.963 26.035 4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.817 23.020 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.672 22.893 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.792 25.850 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.534 24.483 8.014 1.00 0.00 H new ATOM 997 N ASP A 64 -6.359 22.704 0.267 1.00 0.00 N ATOM 998 CA ASP A 64 -7.363 21.963 -0.477 1.00 0.00 C ATOM 999 C ASP A 64 -6.762 21.296 -1.710 1.00 0.00 C ATOM 1000 O ASP A 64 -7.086 20.145 -2.009 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.542 22.874 -0.861 1.00 0.00 C ATOM 1002 CG ASP A 64 -8.325 23.640 -2.156 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -8.138 22.993 -3.210 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -8.354 24.886 -2.119 1.00 0.00 O ATOM 0 H ASP A 64 -6.584 23.686 0.425 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.742 21.173 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.443 22.268 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.718 23.585 -0.054 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.884 21.998 -2.432 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.274 21.412 -3.619 1.00 0.00 C ATOM 1011 C LYS A 65 -4.369 20.252 -3.229 1.00 0.00 C ATOM 1012 O LYS A 65 -4.462 19.160 -3.787 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.474 22.474 -4.378 1.00 0.00 C ATOM 1014 CG LYS A 65 -3.752 21.944 -5.606 1.00 0.00 C ATOM 1015 CD LYS A 65 -2.543 22.802 -5.953 1.00 0.00 C ATOM 1016 CE LYS A 65 -2.646 23.372 -7.359 1.00 0.00 C ATOM 1017 NZ LYS A 65 -2.104 22.433 -8.380 1.00 0.00 N ATOM 0 H LYS A 65 -5.588 22.950 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.064 21.035 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.149 23.274 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.742 22.915 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.432 20.917 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.439 21.921 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.457 23.617 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.635 22.204 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.689 23.592 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.103 24.316 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.193 22.859 -9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.102 22.242 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.639 21.542 -8.350 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.497 20.499 -2.264 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.575 19.475 -1.791 1.00 0.00 C ATOM 1033 C ALA A 66 -3.337 18.249 -1.301 1.00 0.00 C ATOM 1034 O ALA A 66 -2.899 17.114 -1.493 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.689 20.034 -0.685 1.00 0.00 C ATOM 0 H ALA A 66 -3.407 21.399 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.941 19.169 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.005 19.259 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.117 20.879 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.311 20.365 0.147 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.479 18.488 -0.662 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.306 17.409 -0.134 1.00 0.00 C ATOM 1043 C LEU A 67 -5.894 16.564 -1.263 1.00 0.00 C ATOM 1044 O LEU A 67 -5.919 15.329 -1.183 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.435 17.988 0.727 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.090 18.222 2.201 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.797 19.013 2.347 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.235 18.946 2.894 1.00 0.00 C ATOM 0 H LEU A 67 -4.853 19.423 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.675 16.766 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.750 18.936 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.290 17.314 0.675 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.942 17.251 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.579 19.163 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.979 18.462 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.906 19.981 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.982 19.108 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.405 19.907 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.140 18.342 2.829 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.351 17.224 -2.325 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.921 16.516 -3.463 1.00 0.00 C ATOM 1062 C GLN A 68 -5.841 15.720 -4.186 1.00 0.00 C ATOM 1063 O GLN A 68 -6.061 14.577 -4.587 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.624 17.496 -4.418 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.759 18.000 -5.568 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.703 17.025 -6.728 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -7.671 16.317 -7.007 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -5.565 16.983 -7.411 1.00 0.00 N ATOM 0 H GLN A 68 -6.337 18.240 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.671 15.815 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.506 17.008 -4.832 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.975 18.353 -3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.150 18.955 -5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.748 18.184 -5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.788 17.588 -7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.468 16.346 -8.202 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.668 16.328 -4.344 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.557 15.669 -5.012 1.00 0.00 C ATOM 1079 C GLU A 69 -3.141 14.426 -4.240 1.00 0.00 C ATOM 1080 O GLU A 69 -2.821 13.395 -4.831 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.371 16.628 -5.153 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.801 16.687 -6.561 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.699 15.671 -6.788 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.356 15.782 -6.130 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.893 14.762 -7.623 1.00 0.00 O ATOM 0 H GLU A 69 -4.466 17.273 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.880 15.370 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.686 17.628 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.584 16.323 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.602 16.516 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.412 17.688 -6.750 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.165 14.522 -2.914 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.808 13.390 -2.072 1.00 0.00 C ATOM 1094 C LEU A 70 -3.768 12.237 -2.330 1.00 0.00 C ATOM 1095 O LEU A 70 -3.349 11.097 -2.531 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.828 13.783 -0.588 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.515 13.559 0.168 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.901 12.213 -0.196 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.539 14.689 -0.118 1.00 0.00 C ATOM 0 H LEU A 70 -3.426 15.366 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.795 13.075 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.096 14.837 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.615 13.217 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.733 13.552 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.030 12.077 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.595 11.414 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.698 12.183 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.389 14.515 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.330 14.728 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.975 15.636 0.201 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.062 12.544 -2.316 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.089 11.529 -2.542 1.00 0.00 C ATOM 1113 C ARG A 71 -5.859 10.799 -3.865 1.00 0.00 C ATOM 1114 O ARG A 71 -5.863 9.565 -3.913 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.477 12.173 -2.551 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.609 11.173 -2.726 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.642 11.297 -1.617 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.489 10.110 -1.525 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.050 8.913 -1.144 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -8.777 8.741 -0.809 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.886 7.886 -1.095 1.00 0.00 N ATOM 0 H ARG A 71 -5.424 13.483 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.028 10.806 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.623 12.715 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.523 12.906 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.090 11.332 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.203 10.161 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.135 11.456 -0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.264 12.174 -1.797 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.475 10.204 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.130 9.529 -0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.446 7.821 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.866 8.013 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.550 6.968 -0.803 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.643 11.559 -4.935 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.401 10.967 -6.244 1.00 0.00 C ATOM 1137 C GLN A 72 -4.054 10.258 -6.260 1.00 0.00 C ATOM 1138 O GLN A 72 -3.876 9.246 -6.940 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.436 12.046 -7.330 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.838 12.370 -7.823 1.00 0.00 C ATOM 1141 CD GLN A 72 -7.118 11.800 -9.199 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -8.045 11.011 -9.380 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -6.316 12.199 -10.179 1.00 0.00 N ATOM 0 H GLN A 72 -5.631 12.579 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.186 10.239 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.978 12.955 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.830 11.719 -8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.568 11.977 -7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.969 13.452 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.559 12.855 -9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.456 11.850 -11.127 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.109 10.800 -5.499 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.774 10.228 -5.413 1.00 0.00 C ATOM 1154 C GLU A 73 -1.825 8.805 -4.873 1.00 0.00 C ATOM 1155 O GLU A 73 -1.193 7.902 -5.425 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.882 11.095 -4.523 1.00 0.00 C ATOM 1157 CG GLU A 73 -0.123 12.168 -5.285 1.00 0.00 C ATOM 1158 CD GLU A 73 0.702 11.602 -6.424 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.638 10.822 -6.150 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.411 11.938 -7.592 1.00 0.00 O ATOM 0 H GLU A 73 -3.245 11.637 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.353 10.199 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.497 11.570 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.168 10.455 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.831 12.896 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.533 12.702 -4.597 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.597 8.595 -3.808 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.744 7.270 -3.224 1.00 0.00 C ATOM 1169 C LEU A 74 -3.493 6.348 -4.175 1.00 0.00 C ATOM 1170 O LEU A 74 -3.118 5.193 -4.364 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.485 7.358 -1.888 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.922 8.381 -0.900 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.990 8.806 0.096 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.712 7.810 -0.175 1.00 0.00 C ATOM 0 H LEU A 74 -3.128 9.326 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.750 6.859 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.529 7.602 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.471 6.375 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.605 9.262 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.571 9.534 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.828 9.255 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.338 7.934 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.324 8.551 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.005 6.914 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.939 7.556 -0.901 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.570 6.869 -4.756 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.397 6.093 -5.677 1.00 0.00 C ATOM 1188 C ASN A 75 -4.554 5.469 -6.784 1.00 0.00 C ATOM 1189 O ASN A 75 -4.746 4.307 -7.142 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.484 6.978 -6.289 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.520 7.412 -5.270 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.806 8.601 -5.127 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.090 6.448 -4.558 1.00 0.00 N ATOM 0 H ASN A 75 -4.891 7.825 -4.606 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.865 5.289 -5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.023 7.861 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.977 6.437 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.796 6.680 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.822 5.476 -4.710 1.00 0.00 H new ATOM 1200 N THR A 76 -3.624 6.243 -7.321 1.00 0.00 N ATOM 1201 CA THR A 76 -2.754 5.761 -8.387 1.00 0.00 C ATOM 1202 C THR A 76 -1.640 4.878 -7.828 1.00 0.00 C ATOM 1203 O THR A 76 -1.187 3.942 -8.486 1.00 0.00 O ATOM 1204 CB THR A 76 -2.153 6.941 -9.152 1.00 0.00 C ATOM 1205 OG1 THR A 76 -3.156 7.883 -9.489 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.457 6.535 -10.432 1.00 0.00 C ATOM 0 H THR A 76 -3.451 7.207 -7.038 1.00 0.00 H new ATOM 0 HA THR A 76 -3.355 5.161 -9.070 1.00 0.00 H new ATOM 0 HB THR A 76 -1.414 7.374 -8.478 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.425 8.376 -8.686 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.054 7.420 -10.924 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.644 5.846 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.171 6.045 -11.095 1.00 0.00 H new ATOM 1214 N LEU A 77 -1.197 5.191 -6.615 1.00 0.00 N ATOM 1215 CA LEU A 77 -0.127 4.436 -5.968 1.00 0.00 C ATOM 1216 C LEU A 77 -0.603 3.059 -5.503 1.00 0.00 C ATOM 1217 O LEU A 77 0.181 2.111 -5.445 1.00 0.00 O ATOM 1218 CB LEU A 77 0.427 5.227 -4.780 1.00 0.00 C ATOM 1219 CG LEU A 77 1.790 5.879 -5.020 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.086 6.909 -3.942 1.00 0.00 C ATOM 1221 CD2 LEU A 77 2.884 4.823 -5.069 1.00 0.00 C ATOM 0 H LEU A 77 -1.562 5.964 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 77 0.662 4.282 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.289 6.004 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.506 4.559 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 77 1.764 6.390 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.059 7.362 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.317 7.682 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.094 6.423 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.847 5.304 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.911 4.283 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.679 4.124 -5.879 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.879 2.956 -5.149 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.443 1.700 -4.667 1.00 0.00 C ATOM 1235 C ALA A 78 -2.666 0.689 -5.792 1.00 0.00 C ATOM 1236 O ALA A 78 -2.628 -0.520 -5.561 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.749 1.963 -3.933 1.00 0.00 C ATOM 0 H ALA A 78 -2.544 3.729 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.717 1.262 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.163 1.019 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.563 2.621 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.458 2.437 -4.611 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.910 1.178 -7.003 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.150 0.297 -8.142 1.00 0.00 C ATOM 1245 C ASN A 79 -1.970 -0.649 -8.389 1.00 0.00 C ATOM 1246 O ASN A 79 -2.158 -1.858 -8.527 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.427 1.121 -9.402 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.571 0.557 -10.221 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.742 0.766 -9.901 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -4.239 -0.162 -11.287 1.00 0.00 N ATOM 0 H ASN A 79 -2.947 2.174 -7.221 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.023 -0.311 -7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.659 2.148 -9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.527 1.155 -10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.967 -0.566 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.256 -0.311 -11.516 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.735 -0.116 -8.457 1.00 0.00 N ATOM 1258 CA PRO A 80 0.462 -0.930 -8.698 1.00 0.00 C ATOM 1259 C PRO A 80 0.808 -1.845 -7.525 1.00 0.00 C ATOM 1260 O PRO A 80 1.181 -3.005 -7.720 1.00 0.00 O ATOM 1261 CB PRO A 80 1.567 0.109 -8.908 1.00 0.00 C ATOM 1262 CG PRO A 80 1.087 1.322 -8.192 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.410 1.316 -8.322 1.00 0.00 C ATOM 0 HA PRO A 80 0.321 -1.604 -9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.518 -0.238 -8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.724 0.311 -9.968 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.388 1.301 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.513 2.226 -8.628 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.891 1.757 -7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.740 1.887 -9.190 1.00 0.00 H new ATOM 1271 N PHE A 81 0.679 -1.328 -6.306 1.00 0.00 N ATOM 1272 CA PHE A 81 0.978 -2.108 -5.109 1.00 0.00 C ATOM 1273 C PHE A 81 0.121 -3.366 -5.053 1.00 0.00 C ATOM 1274 O PHE A 81 0.627 -4.471 -4.847 1.00 0.00 O ATOM 1275 CB PHE A 81 0.735 -1.252 -3.861 1.00 0.00 C ATOM 1276 CG PHE A 81 0.797 -2.017 -2.565 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.682 -3.072 -2.405 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.026 -1.670 -1.504 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.743 -3.767 -1.211 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.032 -2.360 -0.309 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.917 -3.410 -0.162 1.00 0.00 C ATOM 0 H PHE A 81 0.370 -0.374 -6.121 1.00 0.00 H new ATOM 0 HA PHE A 81 2.025 -2.410 -5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.475 -0.452 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.243 -0.779 -3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.331 -3.354 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.721 -0.850 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.436 -4.588 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.614 -2.079 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.964 -3.951 0.771 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.183 -3.188 -5.231 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.118 -4.304 -5.194 1.00 0.00 C ATOM 1293 C LEU A 82 -1.715 -5.397 -6.175 1.00 0.00 C ATOM 1294 O LEU A 82 -1.858 -6.583 -5.880 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.539 -3.821 -5.497 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.170 -2.948 -4.410 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.546 -2.467 -4.846 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.260 -3.711 -3.093 1.00 0.00 C ATOM 0 H LEU A 82 -1.616 -2.281 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.093 -4.726 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.524 -3.259 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.176 -4.691 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.534 -2.076 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.980 -1.848 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.454 -1.882 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.191 -3.327 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.711 -3.073 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.873 -4.602 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.260 -4.004 -2.773 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.201 -5.004 -7.339 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.776 -5.973 -8.338 1.00 0.00 C ATOM 1312 C ALA A 83 0.433 -6.756 -7.845 1.00 0.00 C ATOM 1313 O ALA A 83 0.491 -7.978 -7.983 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.457 -5.274 -9.651 1.00 0.00 C ATOM 0 H ALA A 83 -1.071 -4.029 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.593 -6.674 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.141 -6.012 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.346 -4.757 -10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.344 -4.552 -9.493 1.00 0.00 H new ATOM 1320 N LYS A 84 1.397 -6.050 -7.260 1.00 0.00 N ATOM 1321 CA LYS A 84 2.597 -6.697 -6.739 1.00 0.00 C ATOM 1322 C LYS A 84 2.222 -7.770 -5.724 1.00 0.00 C ATOM 1323 O LYS A 84 2.797 -8.860 -5.709 1.00 0.00 O ATOM 1324 CB LYS A 84 3.529 -5.671 -6.088 1.00 0.00 C ATOM 1325 CG LYS A 84 4.659 -5.214 -6.995 1.00 0.00 C ATOM 1326 CD LYS A 84 4.187 -4.174 -7.997 1.00 0.00 C ATOM 1327 CE LYS A 84 3.862 -4.802 -9.343 1.00 0.00 C ATOM 1328 NZ LYS A 84 2.891 -3.983 -10.120 1.00 0.00 N ATOM 0 H LYS A 84 1.371 -5.038 -7.136 1.00 0.00 H new ATOM 0 HA LYS A 84 3.120 -7.163 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.944 -4.803 -5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.954 -6.102 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.465 -4.798 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.069 -6.073 -7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.304 -3.668 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.959 -3.415 -8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.780 -4.920 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.452 -5.800 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.356 -4.598 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.234 -3.511 -9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.405 -3.266 -10.672 1.00 0.00 H new ATOM 1342 N TYR A 85 1.240 -7.458 -4.883 1.00 0.00 N ATOM 1343 CA TYR A 85 0.789 -8.407 -3.878 1.00 0.00 C ATOM 1344 C TYR A 85 -0.073 -9.489 -4.511 1.00 0.00 C ATOM 1345 O TYR A 85 -0.046 -10.640 -4.083 1.00 0.00 O ATOM 1346 CB TYR A 85 0.035 -7.711 -2.748 1.00 0.00 C ATOM 1347 CG TYR A 85 0.442 -8.219 -1.385 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.748 -8.066 -0.934 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.467 -8.864 -0.558 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.135 -8.540 0.304 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.088 -9.342 0.683 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.215 -9.177 1.109 1.00 0.00 C ATOM 1353 OH TYR A 85 1.599 -9.653 2.341 1.00 0.00 O ATOM 0 H TYR A 85 0.748 -6.565 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 85 1.673 -8.875 -3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.216 -6.637 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.036 -7.861 -2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.472 -7.568 -1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.487 -8.995 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.153 -8.412 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.807 -9.842 1.315 1.00 0.00 H new ATOM 0 HH TYR A 85 1.608 -10.633 2.325 1.00 0.00 H new ATOM 1363 N ARG A 86 -0.826 -9.123 -5.543 1.00 0.00 N ATOM 1364 CA ARG A 86 -1.672 -10.087 -6.233 1.00 0.00 C ATOM 1365 C ARG A 86 -0.804 -11.194 -6.830 1.00 0.00 C ATOM 1366 O ARG A 86 -1.101 -12.381 -6.687 1.00 0.00 O ATOM 1367 CB ARG A 86 -2.516 -9.388 -7.314 1.00 0.00 C ATOM 1368 CG ARG A 86 -2.033 -9.605 -8.744 1.00 0.00 C ATOM 1369 CD ARG A 86 -2.777 -8.711 -9.724 1.00 0.00 C ATOM 1370 NE ARG A 86 -3.802 -9.446 -10.465 1.00 0.00 N ATOM 1371 CZ ARG A 86 -3.845 -9.541 -11.794 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -2.925 -8.947 -12.547 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -4.816 -10.233 -12.374 1.00 0.00 N ATOM 0 H ARG A 86 -0.867 -8.175 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.363 -10.538 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.545 -9.740 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.529 -8.318 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.964 -9.401 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.174 -10.649 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.242 -7.887 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.067 -8.272 -10.425 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.532 -9.917 -9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.176 -8.411 -12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.968 -9.027 -13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.527 -10.691 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.852 -10.308 -13.391 1.00 0.00 H new ATOM 1387 N ASP A 87 0.285 -10.790 -7.481 1.00 0.00 N ATOM 1388 CA ASP A 87 1.214 -11.738 -8.080 1.00 0.00 C ATOM 1389 C ASP A 87 1.989 -12.470 -6.991 1.00 0.00 C ATOM 1390 O ASP A 87 2.311 -13.651 -7.129 1.00 0.00 O ATOM 1391 CB ASP A 87 2.182 -11.017 -9.020 1.00 0.00 C ATOM 1392 CG ASP A 87 1.685 -10.989 -10.452 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.678 -10.301 -10.717 1.00 0.00 O ATOM 1394 OD2 ASP A 87 2.305 -11.655 -11.308 1.00 0.00 O ATOM 0 H ASP A 87 0.543 -9.811 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 87 0.644 -12.465 -8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.331 -9.995 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.153 -11.511 -8.985 1.00 0.00 H new ATOM 1399 N PHE A 88 2.261 -11.766 -5.894 1.00 0.00 N ATOM 1400 CA PHE A 88 2.972 -12.350 -4.765 1.00 0.00 C ATOM 1401 C PHE A 88 2.093 -13.381 -4.063 1.00 0.00 C ATOM 1402 O PHE A 88 2.586 -14.355 -3.494 1.00 0.00 O ATOM 1403 CB PHE A 88 3.397 -11.262 -3.779 1.00 0.00 C ATOM 1404 CG PHE A 88 4.282 -11.771 -2.681 1.00 0.00 C ATOM 1405 CD1 PHE A 88 5.368 -12.582 -2.968 1.00 0.00 C ATOM 1406 CD2 PHE A 88 4.025 -11.443 -1.362 1.00 0.00 C ATOM 1407 CE1 PHE A 88 6.182 -13.056 -1.957 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.834 -11.913 -0.347 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.914 -12.722 -0.645 1.00 0.00 C ATOM 0 H PHE A 88 1.998 -10.789 -5.766 1.00 0.00 H new ATOM 0 HA PHE A 88 3.866 -12.847 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.919 -10.474 -4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.507 -10.811 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.581 -12.847 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.182 -10.812 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.026 -13.687 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.623 -11.649 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.547 -13.092 0.148 1.00 0.00 H new ATOM 1419 N LEU A 89 0.781 -13.170 -4.142 1.00 0.00 N ATOM 1420 CA LEU A 89 -0.174 -14.096 -3.550 1.00 0.00 C ATOM 1421 C LEU A 89 -0.203 -15.360 -4.395 1.00 0.00 C ATOM 1422 O LEU A 89 -0.171 -16.477 -3.881 1.00 0.00 O ATOM 1423 CB LEU A 89 -1.572 -13.464 -3.489 1.00 0.00 C ATOM 1424 CG LEU A 89 -1.844 -12.538 -2.290 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -0.560 -12.198 -1.544 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -2.541 -11.265 -2.750 1.00 0.00 C ATOM 0 H LEU A 89 0.359 -12.368 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 89 0.128 -14.335 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.732 -12.895 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.311 -14.265 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.499 -13.071 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.790 -11.543 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.100 -13.115 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.130 -11.693 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.726 -10.621 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.907 -10.742 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.489 -11.520 -3.223 1.00 0.00 H new ATOM 1438 N LYS A 90 -0.242 -15.155 -5.706 1.00 0.00 N ATOM 1439 CA LYS A 90 -0.250 -16.257 -6.655 1.00 0.00 C ATOM 1440 C LYS A 90 1.033 -17.073 -6.515 1.00 0.00 C ATOM 1441 O LYS A 90 1.054 -18.271 -6.796 1.00 0.00 O ATOM 1442 CB LYS A 90 -0.385 -15.730 -8.086 1.00 0.00 C ATOM 1443 CG LYS A 90 -1.389 -16.502 -8.927 1.00 0.00 C ATOM 1444 CD LYS A 90 -2.681 -15.723 -9.109 1.00 0.00 C ATOM 1445 CE LYS A 90 -3.852 -16.647 -9.409 1.00 0.00 C ATOM 1446 NZ LYS A 90 -5.147 -16.074 -8.949 1.00 0.00 N ATOM 0 H LYS A 90 -0.269 -14.230 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.105 -16.898 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.682 -14.682 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.590 -15.769 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.955 -16.722 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.604 -17.459 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.891 -15.149 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.564 -15.007 -9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.900 -16.835 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.688 -17.609 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.918 -16.735 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.112 -15.918 -7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.317 -15.168 -9.431 1.00 0.00 H new ATOM 1460 N SER A 91 2.115 -16.395 -6.136 1.00 0.00 N ATOM 1461 CA SER A 91 3.426 -17.028 -6.023 1.00 0.00 C ATOM 1462 C SER A 91 3.453 -18.169 -5.006 1.00 0.00 C ATOM 1463 O SER A 91 4.419 -18.932 -4.974 1.00 0.00 O ATOM 1464 CB SER A 91 4.480 -15.983 -5.650 1.00 0.00 C ATOM 1465 OG SER A 91 5.076 -15.424 -6.807 1.00 0.00 O ATOM 0 H SER A 91 2.108 -15.402 -5.901 1.00 0.00 H new ATOM 0 HA SER A 91 3.650 -17.462 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.019 -15.193 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.248 -16.443 -5.028 1.00 0.00 H new ATOM 0 HG SER A 91 5.744 -14.758 -6.542 1.00 0.00 H new ATOM 1471 N HIS A 92 2.402 -18.323 -4.198 1.00 0.00 N ATOM 1472 CA HIS A 92 2.370 -19.426 -3.234 1.00 0.00 C ATOM 1473 C HIS A 92 2.649 -20.718 -3.996 1.00 0.00 C ATOM 1474 O HIS A 92 2.443 -20.759 -5.210 1.00 0.00 O ATOM 1475 CB HIS A 92 1.014 -19.489 -2.531 1.00 0.00 C ATOM 1476 CG HIS A 92 0.698 -18.255 -1.744 1.00 0.00 C ATOM 1477 ND1 HIS A 92 1.545 -17.168 -1.677 1.00 0.00 N ATOM 1478 CD2 HIS A 92 -0.379 -17.936 -0.987 1.00 0.00 C ATOM 1479 CE1 HIS A 92 1.004 -16.235 -0.915 1.00 0.00 C ATOM 1480 NE2 HIS A 92 -0.164 -16.675 -0.484 1.00 0.00 N ATOM 0 H HIS A 92 1.582 -17.716 -4.189 1.00 0.00 H new ATOM 0 HA HIS A 92 3.125 -19.276 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 92 0.233 -19.647 -3.275 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.998 -20.351 -1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.245 -18.557 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.442 -15.275 -0.684 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -0.803 -16.162 0.124 1.00 0.00 H new ATOM 1489 N GLU A 93 3.081 -21.787 -3.326 1.00 0.00 N ATOM 1490 CA GLU A 93 3.319 -23.042 -4.029 1.00 0.00 C ATOM 1491 C GLU A 93 2.512 -24.191 -3.427 1.00 0.00 C ATOM 1492 O GLU A 93 3.049 -24.946 -2.617 1.00 0.00 O ATOM 1493 CB GLU A 93 4.812 -23.381 -4.004 1.00 0.00 C ATOM 1494 CG GLU A 93 5.472 -23.331 -5.372 1.00 0.00 C ATOM 1495 CD GLU A 93 6.956 -23.633 -5.314 1.00 0.00 C ATOM 1496 OE1 GLU A 93 7.702 -22.836 -4.706 1.00 0.00 O ATOM 1497 OE2 GLU A 93 7.374 -24.668 -5.875 1.00 0.00 O ATOM 0 H GLU A 93 3.268 -21.809 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 93 2.991 -22.912 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.323 -22.685 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.942 -24.378 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.985 -24.048 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.323 -22.343 -5.808 1.00 0.00 H new ATOM 1504 N LEU A 94 1.236 -24.337 -3.781 1.00 0.00 N ATOM 1505 CA LEU A 94 0.421 -25.414 -3.218 1.00 0.00 C ATOM 1506 C LEU A 94 0.021 -25.097 -1.781 1.00 0.00 C ATOM 1507 O LEU A 94 -1.158 -24.751 -1.558 1.00 0.00 O ATOM 1508 CB LEU A 94 1.165 -26.754 -3.264 1.00 0.00 C ATOM 1509 CG LEU A 94 1.981 -27.001 -4.535 1.00 0.00 C ATOM 1510 CD1 LEU A 94 3.425 -27.336 -4.187 1.00 0.00 C ATOM 1511 CD2 LEU A 94 1.357 -28.117 -5.361 1.00 0.00 C ATOM 1512 OXT LEU A 94 0.889 -25.199 -0.890 1.00 0.00 O ATOM 0 H LEU A 94 0.750 -23.734 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.479 -25.495 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.834 -26.810 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.438 -27.559 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 94 1.975 -26.088 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.990 -27.508 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.869 -26.506 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.452 -28.234 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.950 -28.279 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.332 -29.034 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.341 -27.838 -5.641 1.00 0.00 H new TER 1524 LEU A 94