USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -4.19! K(o=-4.2!,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 4 MET CE :methyl -119:sc= -0.519 (180deg=-1.69!) USER MOD Single : A 5 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.2!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -133:sc= -1.58 (180deg=-2.09!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 0.424 (180deg=0.0576) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -115:sc= -8.6! (180deg=-14!) USER MOD Single : A 48 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.2!) USER MOD Single : A 51 MET CE :methyl -176:sc= -3.49 (180deg=-3.61) USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= -0.742 (180deg=-4.17!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.36! C(o=-2.4!,f=-7.5!) USER MOD Single : A 82 ASN : amide:sc= -3.42! K(o=-3.4!,f=-0.84) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -150:sc= -0.121 (180deg=-0.968) USER MOD Single : A 93 ASN : amide:sc= -2.19 K(o=-2.2,f=-2.7) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -151:sc= 0.192 (180deg=-0.845) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.006 7.459 9.471 1.00 0.00 N ATOM 2 CA GLY A 1 -16.997 7.926 8.057 1.00 0.00 C ATOM 3 C GLY A 1 -16.391 6.909 7.111 1.00 0.00 C ATOM 4 O GLY A 1 -17.100 6.074 6.549 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.430 8.191 10.076 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.563 6.584 9.544 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.031 7.275 9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.018 8.145 7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.436 8.858 7.990 1.00 0.00 H new ATOM 10 N SER A 2 -15.075 6.979 6.932 1.00 0.00 N ATOM 11 CA SER A 2 -14.372 6.057 6.045 1.00 0.00 C ATOM 12 C SER A 2 -14.956 6.102 4.637 1.00 0.00 C ATOM 13 O SER A 2 -15.950 5.436 4.344 1.00 0.00 O ATOM 14 CB SER A 2 -14.445 4.631 6.594 1.00 0.00 C ATOM 15 OG SER A 2 -14.186 4.604 7.986 1.00 0.00 O ATOM 0 H SER A 2 -14.474 7.664 7.389 1.00 0.00 H new ATOM 0 HA SER A 2 -13.328 6.367 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.432 4.213 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.723 4.001 6.075 1.00 0.00 H new ATOM 0 HG SER A 2 -14.241 3.681 8.311 1.00 0.00 H new ATOM 21 N HIS A 3 -14.332 6.890 3.770 1.00 0.00 N ATOM 22 CA HIS A 3 -14.784 7.022 2.390 1.00 0.00 C ATOM 23 C HIS A 3 -13.606 6.934 1.430 1.00 0.00 C ATOM 24 O HIS A 3 -12.458 7.143 1.821 1.00 0.00 O ATOM 25 CB HIS A 3 -15.515 8.352 2.197 1.00 0.00 C ATOM 26 CG HIS A 3 -16.923 8.343 2.705 1.00 0.00 C ATOM 27 ND1 HIS A 3 -17.245 8.501 4.037 1.00 0.00 N ATOM 28 CD2 HIS A 3 -18.100 8.195 2.052 1.00 0.00 C ATOM 29 CE1 HIS A 3 -18.557 8.450 4.182 1.00 0.00 C ATOM 30 NE2 HIS A 3 -19.099 8.268 2.991 1.00 0.00 N ATOM 0 H HIS A 3 -13.510 7.449 3.999 1.00 0.00 H new ATOM 0 HA HIS A 3 -15.472 6.204 2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -14.959 9.139 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -15.522 8.602 1.136 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -18.229 8.047 0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -19.094 8.541 5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -20.098 8.194 2.800 1.00 0.00 H new ATOM 38 N MET A 4 -13.893 6.624 0.171 1.00 0.00 N ATOM 39 CA MET A 4 -12.850 6.513 -0.841 1.00 0.00 C ATOM 40 C MET A 4 -13.117 7.464 -2.003 1.00 0.00 C ATOM 41 O MET A 4 -13.955 7.192 -2.862 1.00 0.00 O ATOM 42 CB MET A 4 -12.748 5.073 -1.348 1.00 0.00 C ATOM 43 CG MET A 4 -11.350 4.485 -1.233 1.00 0.00 C ATOM 44 SD MET A 4 -10.128 5.410 -2.184 1.00 0.00 S ATOM 45 CE MET A 4 -9.309 6.333 -0.886 1.00 0.00 C ATOM 0 H MET A 4 -14.837 6.446 -0.173 1.00 0.00 H new ATOM 0 HA MET A 4 -11.901 6.791 -0.382 1.00 0.00 H new ATOM 0 HB2 MET A 4 -13.443 4.449 -0.786 1.00 0.00 H new ATOM 0 HB3 MET A 4 -13.062 5.041 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 4 -11.052 4.468 -0.185 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.365 3.451 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 4 -9.433 7.401 -1.065 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.748 6.074 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.247 6.087 -0.879 1.00 0.00 H new ATOM 55 N GLN A 5 -12.396 8.580 -2.021 1.00 0.00 N ATOM 56 CA GLN A 5 -12.552 9.573 -3.076 1.00 0.00 C ATOM 57 C GLN A 5 -11.884 9.102 -4.363 1.00 0.00 C ATOM 58 O GLN A 5 -12.462 9.197 -5.446 1.00 0.00 O ATOM 59 CB GLN A 5 -11.962 10.914 -2.635 1.00 0.00 C ATOM 60 CG GLN A 5 -12.818 11.650 -1.614 1.00 0.00 C ATOM 61 CD GLN A 5 -12.024 12.127 -0.412 1.00 0.00 C ATOM 62 OE1 GLN A 5 -10.805 12.282 -0.483 1.00 0.00 O ATOM 63 NE2 GLN A 5 -12.713 12.362 0.699 1.00 0.00 N ATOM 0 H GLN A 5 -11.698 8.819 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.617 9.703 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.972 10.744 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.830 11.549 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.291 12.507 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.618 10.992 -1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.723 12.220 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.232 12.685 1.539 1.00 0.00 H new ATOM 72 N ALA A 6 -10.663 8.587 -4.237 1.00 0.00 N ATOM 73 CA ALA A 6 -9.917 8.096 -5.390 1.00 0.00 C ATOM 74 C ALA A 6 -10.675 6.977 -6.096 1.00 0.00 C ATOM 75 O ALA A 6 -11.401 6.209 -5.463 1.00 0.00 O ATOM 76 CB ALA A 6 -8.542 7.613 -4.954 1.00 0.00 C ATOM 0 H ALA A 6 -10.171 8.500 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.797 8.918 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.992 7.248 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.994 8.438 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.653 6.806 -4.229 1.00 0.00 H new ATOM 82 N THR A 7 -10.504 6.888 -7.412 1.00 0.00 N ATOM 83 CA THR A 7 -11.177 5.862 -8.202 1.00 0.00 C ATOM 84 C THR A 7 -10.167 5.026 -8.980 1.00 0.00 C ATOM 85 O THR A 7 -9.032 5.451 -9.204 1.00 0.00 O ATOM 86 CB THR A 7 -12.174 6.502 -9.169 1.00 0.00 C ATOM 87 OG1 THR A 7 -12.757 7.658 -8.598 1.00 0.00 O ATOM 88 CG2 THR A 7 -13.298 5.572 -9.574 1.00 0.00 C ATOM 0 H THR A 7 -9.906 7.513 -7.953 1.00 0.00 H new ATOM 0 HA THR A 7 -11.715 5.208 -7.516 1.00 0.00 H new ATOM 0 HB THR A 7 -11.593 6.751 -10.057 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.390 8.053 -9.233 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.969 6.089 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.883 4.692 -10.066 1.00 0.00 H new ATOM 0 HG23 THR A 7 -13.853 5.264 -8.688 1.00 0.00 H new ATOM 96 N TRP A 8 -10.589 3.836 -9.391 1.00 0.00 N ATOM 97 CA TRP A 8 -9.727 2.936 -10.146 1.00 0.00 C ATOM 98 C TRP A 8 -10.502 2.240 -11.262 1.00 0.00 C ATOM 99 O TRP A 8 -11.720 2.378 -11.369 1.00 0.00 O ATOM 100 CB TRP A 8 -9.114 1.892 -9.218 1.00 0.00 C ATOM 101 CG TRP A 8 -8.126 2.469 -8.256 1.00 0.00 C ATOM 102 CD1 TRP A 8 -8.383 3.348 -7.247 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.720 2.209 -8.219 1.00 0.00 C ATOM 104 NE1 TRP A 8 -7.220 3.652 -6.582 1.00 0.00 N ATOM 105 CE2 TRP A 8 -6.184 2.964 -7.160 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.866 1.411 -8.979 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.827 2.941 -6.845 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.525 1.389 -8.663 1.00 0.00 C ATOM 109 CH2 TRP A 8 -4.014 2.149 -7.607 1.00 0.00 C ATOM 0 H TRP A 8 -11.525 3.472 -9.213 1.00 0.00 H new ATOM 0 HA TRP A 8 -8.933 3.531 -10.596 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.910 1.399 -8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.623 1.125 -9.818 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -9.357 3.747 -7.006 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -7.140 4.286 -5.787 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.248 0.822 -9.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.432 3.527 -6.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.855 0.772 -9.243 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.957 2.110 -7.389 1.00 0.00 H new ATOM 120 N LYS A 9 -9.781 1.481 -12.083 1.00 0.00 N ATOM 121 CA LYS A 9 -10.386 0.743 -13.191 1.00 0.00 C ATOM 122 C LYS A 9 -9.768 -0.643 -13.312 1.00 0.00 C ATOM 123 O LYS A 9 -9.943 -1.326 -14.320 1.00 0.00 O ATOM 124 CB LYS A 9 -10.195 1.492 -14.510 1.00 0.00 C ATOM 125 CG LYS A 9 -10.364 2.994 -14.390 1.00 0.00 C ATOM 126 CD LYS A 9 -11.800 3.409 -14.663 1.00 0.00 C ATOM 127 CE LYS A 9 -12.028 4.880 -14.362 1.00 0.00 C ATOM 128 NZ LYS A 9 -11.192 5.763 -15.223 1.00 0.00 N ATOM 0 H LYS A 9 -8.771 1.360 -12.002 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.452 0.648 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.199 1.278 -14.898 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.910 1.112 -15.240 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.073 3.317 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.698 3.495 -15.093 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.044 3.209 -15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.475 2.805 -14.056 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.081 5.121 -14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.800 5.075 -13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.733 6.488 -14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.464 5.194 -15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.794 6.224 -15.935 1.00 0.00 H new ATOM 142 N GLU A 10 -9.030 -1.042 -12.287 1.00 0.00 N ATOM 143 CA GLU A 10 -8.366 -2.335 -12.284 1.00 0.00 C ATOM 144 C GLU A 10 -9.361 -3.488 -12.213 1.00 0.00 C ATOM 145 O GLU A 10 -10.313 -3.463 -11.433 1.00 0.00 O ATOM 146 CB GLU A 10 -7.370 -2.411 -11.128 1.00 0.00 C ATOM 147 CG GLU A 10 -7.989 -2.171 -9.761 1.00 0.00 C ATOM 148 CD GLU A 10 -6.993 -1.601 -8.769 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.779 -1.838 -8.945 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.426 -0.919 -7.817 1.00 0.00 O ATOM 0 H GLU A 10 -8.876 -0.487 -11.445 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.828 -2.433 -13.227 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.897 -3.393 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.582 -1.676 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.831 -1.486 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.386 -3.110 -9.375 1.00 0.00 H new ATOM 157 N LYS A 11 -9.121 -4.502 -13.042 1.00 0.00 N ATOM 158 CA LYS A 11 -9.975 -5.683 -13.096 1.00 0.00 C ATOM 159 C LYS A 11 -9.910 -6.452 -11.775 1.00 0.00 C ATOM 160 O LYS A 11 -9.693 -5.857 -10.721 1.00 0.00 O ATOM 161 CB LYS A 11 -9.549 -6.581 -14.264 1.00 0.00 C ATOM 162 CG LYS A 11 -9.405 -5.841 -15.585 1.00 0.00 C ATOM 163 CD LYS A 11 -8.597 -6.650 -16.589 1.00 0.00 C ATOM 164 CE LYS A 11 -8.748 -6.101 -17.998 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.005 -6.917 -18.997 1.00 0.00 N ATOM 0 H LYS A 11 -8.334 -4.527 -13.690 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.006 -5.366 -13.254 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.599 -7.055 -14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.282 -7.379 -14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.393 -5.631 -15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.919 -4.880 -15.415 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.545 -6.639 -16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.923 -7.690 -16.566 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.804 -6.074 -18.265 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.386 -5.073 -18.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.134 -6.508 -19.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.993 -6.922 -18.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.368 -7.892 -18.988 1.00 0.00 H new ATOM 179 N ASP A 12 -10.098 -7.771 -11.827 1.00 0.00 N ATOM 180 CA ASP A 12 -10.053 -8.591 -10.620 1.00 0.00 C ATOM 181 C ASP A 12 -9.157 -9.812 -10.813 1.00 0.00 C ATOM 182 O ASP A 12 -9.261 -10.792 -10.076 1.00 0.00 O ATOM 183 CB ASP A 12 -11.464 -9.033 -10.224 1.00 0.00 C ATOM 184 CG ASP A 12 -11.964 -8.320 -8.984 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.776 -7.088 -8.889 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.544 -8.993 -8.106 1.00 0.00 O ATOM 0 H ASP A 12 -10.281 -8.290 -12.686 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.631 -7.984 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.148 -8.841 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.469 -10.109 -10.049 1.00 0.00 H new ATOM 191 N GLY A 13 -8.278 -9.747 -11.806 1.00 0.00 N ATOM 192 CA GLY A 13 -7.380 -10.856 -12.076 1.00 0.00 C ATOM 193 C GLY A 13 -6.024 -10.678 -11.417 1.00 0.00 C ATOM 194 O GLY A 13 -5.873 -9.866 -10.505 1.00 0.00 O ATOM 0 H GLY A 13 -8.170 -8.947 -12.429 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.834 -11.782 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.247 -10.958 -13.153 1.00 0.00 H new ATOM 198 N ALA A 14 -5.040 -11.447 -11.875 1.00 0.00 N ATOM 199 CA ALA A 14 -3.692 -11.378 -11.319 1.00 0.00 C ATOM 200 C ALA A 14 -3.003 -10.062 -11.672 1.00 0.00 C ATOM 201 O ALA A 14 -3.611 -9.169 -12.263 1.00 0.00 O ATOM 202 CB ALA A 14 -2.861 -12.558 -11.804 1.00 0.00 C ATOM 0 H ALA A 14 -5.151 -12.125 -12.629 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.778 -11.424 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.858 -12.495 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.330 -13.489 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.799 -12.537 -12.892 1.00 0.00 H new ATOM 208 N VAL A 15 -1.714 -9.977 -11.352 1.00 0.00 N ATOM 209 CA VAL A 15 -0.917 -8.801 -11.686 1.00 0.00 C ATOM 210 C VAL A 15 -0.730 -8.692 -13.193 1.00 0.00 C ATOM 211 O VAL A 15 -0.698 -9.704 -13.891 1.00 0.00 O ATOM 212 CB VAL A 15 0.461 -8.821 -11.002 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.299 -9.997 -11.485 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.188 -7.501 -11.225 1.00 0.00 C ATOM 0 H VAL A 15 -1.200 -10.709 -10.862 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.465 -7.934 -11.319 1.00 0.00 H new ATOM 0 HB VAL A 15 0.305 -8.947 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.267 -9.984 -10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.784 -10.930 -11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.447 -9.920 -12.562 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.161 -7.534 -10.734 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.326 -7.338 -12.294 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.598 -6.685 -10.807 1.00 0.00 H new ATOM 224 N GLU A 16 -0.565 -7.477 -13.693 1.00 0.00 N ATOM 225 CA GLU A 16 -0.335 -7.267 -15.114 1.00 0.00 C ATOM 226 C GLU A 16 0.779 -6.239 -15.313 1.00 0.00 C ATOM 227 O GLU A 16 1.159 -5.539 -14.376 1.00 0.00 O ATOM 228 CB GLU A 16 -1.617 -6.824 -15.829 1.00 0.00 C ATOM 229 CG GLU A 16 -2.354 -7.965 -16.513 1.00 0.00 C ATOM 230 CD GLU A 16 -2.443 -7.793 -18.017 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.281 -6.989 -18.475 1.00 0.00 O ATOM 232 OE2 GLU A 16 -1.674 -8.463 -18.738 1.00 0.00 O ATOM 0 H GLU A 16 -0.586 -6.622 -13.137 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.027 -8.215 -15.555 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.283 -6.353 -15.106 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.366 -6.067 -16.572 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.847 -8.904 -16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.360 -8.040 -16.101 1.00 0.00 H new ATOM 239 N ALA A 17 1.317 -6.201 -16.528 1.00 0.00 N ATOM 240 CA ALA A 17 2.433 -5.307 -16.875 1.00 0.00 C ATOM 241 C ALA A 17 2.554 -4.123 -15.906 1.00 0.00 C ATOM 242 O ALA A 17 3.473 -4.084 -15.089 1.00 0.00 O ATOM 243 CB ALA A 17 2.274 -4.804 -18.302 1.00 0.00 C ATOM 0 H ALA A 17 0.998 -6.784 -17.302 1.00 0.00 H new ATOM 0 HA ALA A 17 3.352 -5.887 -16.792 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.105 -4.143 -18.550 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.268 -5.651 -18.988 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.336 -4.257 -18.392 1.00 0.00 H new ATOM 249 N GLU A 18 1.649 -3.154 -16.006 1.00 0.00 N ATOM 250 CA GLU A 18 1.707 -1.977 -15.135 1.00 0.00 C ATOM 251 C GLU A 18 0.464 -1.868 -14.252 1.00 0.00 C ATOM 252 O GLU A 18 -0.404 -1.024 -14.476 1.00 0.00 O ATOM 253 CB GLU A 18 1.863 -0.711 -15.978 1.00 0.00 C ATOM 254 CG GLU A 18 3.010 -0.784 -16.973 1.00 0.00 C ATOM 255 CD GLU A 18 2.865 0.211 -18.108 1.00 0.00 C ATOM 256 OE1 GLU A 18 3.288 1.373 -17.934 1.00 0.00 O ATOM 257 OE2 GLU A 18 2.333 -0.172 -19.169 1.00 0.00 O ATOM 0 H GLU A 18 0.875 -3.156 -16.671 1.00 0.00 H new ATOM 0 HA GLU A 18 2.572 -2.088 -14.481 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.934 -0.527 -16.518 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.020 0.140 -15.316 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.950 -0.600 -16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.065 -1.792 -17.384 1.00 0.00 H new ATOM 264 N ASP A 19 0.380 -2.757 -13.262 1.00 0.00 N ATOM 265 CA ASP A 19 -0.765 -2.806 -12.348 1.00 0.00 C ATOM 266 C ASP A 19 -0.489 -2.125 -11.005 1.00 0.00 C ATOM 267 O ASP A 19 0.521 -1.445 -10.831 1.00 0.00 O ATOM 268 CB ASP A 19 -1.128 -4.264 -12.095 1.00 0.00 C ATOM 269 CG ASP A 19 -1.753 -4.913 -13.305 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.474 -4.457 -14.433 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.518 -5.884 -13.123 1.00 0.00 O ATOM 0 H ASP A 19 1.096 -3.458 -13.071 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.583 -2.265 -12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.232 -4.816 -11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.819 -4.324 -11.255 1.00 0.00 H new ATOM 276 N ARG A 20 -1.407 -2.342 -10.053 1.00 0.00 N ATOM 277 CA ARG A 20 -1.296 -1.789 -8.706 1.00 0.00 C ATOM 278 C ARG A 20 -1.940 -2.741 -7.692 1.00 0.00 C ATOM 279 O ARG A 20 -3.157 -2.923 -7.689 1.00 0.00 O ATOM 280 CB ARG A 20 -1.971 -0.418 -8.627 1.00 0.00 C ATOM 281 CG ARG A 20 -1.095 0.673 -8.032 1.00 0.00 C ATOM 282 CD ARG A 20 -1.141 1.943 -8.868 1.00 0.00 C ATOM 283 NE ARG A 20 -0.938 3.142 -8.056 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.732 4.356 -8.562 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.692 4.540 -9.875 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.567 5.393 -7.749 1.00 0.00 N ATOM 0 H ARG A 20 -2.244 -2.906 -10.200 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.238 -1.672 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.276 -0.117 -9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.879 -0.506 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.425 0.892 -7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.067 0.318 -7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.375 1.895 -9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.103 2.008 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.955 3.042 -7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.820 3.748 -10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.534 5.473 -10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.598 5.259 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.409 6.324 -8.135 1.00 0.00 H new ATOM 300 N VAL A 21 -1.121 -3.335 -6.830 1.00 0.00 N ATOM 301 CA VAL A 21 -1.604 -4.257 -5.802 1.00 0.00 C ATOM 302 C VAL A 21 -1.863 -3.549 -4.474 1.00 0.00 C ATOM 303 O VAL A 21 -1.481 -2.393 -4.291 1.00 0.00 O ATOM 304 CB VAL A 21 -0.589 -5.385 -5.553 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.491 -6.296 -6.763 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.771 -4.808 -5.203 1.00 0.00 C ATOM 0 H VAL A 21 -0.111 -3.194 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.541 -4.668 -6.177 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.937 -5.980 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.233 -7.087 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.466 -6.739 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.169 -5.718 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.477 -5.620 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.126 -4.188 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.688 -4.201 -4.301 1.00 0.00 H new ATOM 316 N THR A 22 -2.464 -4.274 -3.531 1.00 0.00 N ATOM 317 CA THR A 22 -2.718 -3.746 -2.197 1.00 0.00 C ATOM 318 C THR A 22 -2.028 -4.645 -1.181 1.00 0.00 C ATOM 319 O THR A 22 -2.382 -5.815 -1.040 1.00 0.00 O ATOM 320 CB THR A 22 -4.215 -3.674 -1.903 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.878 -2.865 -2.859 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.520 -3.111 -0.531 1.00 0.00 C ATOM 0 H THR A 22 -2.784 -5.232 -3.670 1.00 0.00 H new ATOM 0 HA THR A 22 -2.323 -2.732 -2.135 1.00 0.00 H new ATOM 0 HB THR A 22 -4.572 -4.703 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.836 -2.834 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.599 -3.085 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.062 -3.742 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.118 -2.101 -0.455 1.00 0.00 H new ATOM 330 N ILE A 23 -1.010 -4.120 -0.512 1.00 0.00 N ATOM 331 CA ILE A 23 -0.251 -4.917 0.443 1.00 0.00 C ATOM 332 C ILE A 23 -0.108 -4.237 1.807 1.00 0.00 C ATOM 333 O ILE A 23 -0.144 -3.013 1.919 1.00 0.00 O ATOM 334 CB ILE A 23 1.163 -5.191 -0.096 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.859 -3.871 -0.419 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.119 -6.083 -1.329 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.339 -4.016 -0.666 1.00 0.00 C ATOM 0 H ILE A 23 -0.693 -3.156 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.811 -5.843 0.574 1.00 0.00 H new ATOM 0 HB ILE A 23 1.728 -5.715 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.393 -3.430 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.703 -3.176 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.133 -6.259 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.654 -7.035 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.538 -5.594 -2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.768 -3.039 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.818 -4.428 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.503 -4.686 -1.510 1.00 0.00 H new ATOM 349 N ASP A 24 0.103 -5.064 2.830 1.00 0.00 N ATOM 350 CA ASP A 24 0.313 -4.600 4.200 1.00 0.00 C ATOM 351 C ASP A 24 1.644 -5.165 4.698 1.00 0.00 C ATOM 352 O ASP A 24 1.852 -6.377 4.647 1.00 0.00 O ATOM 353 CB ASP A 24 -0.821 -5.072 5.116 1.00 0.00 C ATOM 354 CG ASP A 24 -1.093 -6.557 4.990 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.536 -6.989 3.905 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.867 -7.288 5.978 1.00 0.00 O ATOM 0 H ASP A 24 0.133 -6.079 2.731 1.00 0.00 H new ATOM 0 HA ASP A 24 0.328 -3.510 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.568 -4.839 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.729 -4.519 4.878 1.00 0.00 H new ATOM 361 N PHE A 25 2.560 -4.308 5.150 1.00 0.00 N ATOM 362 CA PHE A 25 3.863 -4.799 5.601 1.00 0.00 C ATOM 363 C PHE A 25 4.405 -4.060 6.818 1.00 0.00 C ATOM 364 O PHE A 25 3.894 -3.017 7.219 1.00 0.00 O ATOM 365 CB PHE A 25 4.872 -4.705 4.460 1.00 0.00 C ATOM 366 CG PHE A 25 5.258 -3.300 4.101 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.132 -2.582 4.901 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.732 -2.689 2.976 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.476 -1.281 4.583 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.066 -1.389 2.661 1.00 0.00 C ATOM 371 CZ PHE A 25 5.935 -0.684 3.463 1.00 0.00 C ATOM 0 H PHE A 25 2.431 -3.298 5.213 1.00 0.00 H new ATOM 0 HA PHE A 25 3.714 -5.836 5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.770 -5.258 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.455 -5.193 3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.550 -3.044 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.053 -3.236 2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.166 -0.734 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.645 -0.922 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.193 0.335 3.216 1.00 0.00 H new ATOM 381 N THR A 26 5.461 -4.633 7.396 1.00 0.00 N ATOM 382 CA THR A 26 6.120 -4.070 8.573 1.00 0.00 C ATOM 383 C THR A 26 7.613 -4.406 8.556 1.00 0.00 C ATOM 384 O THR A 26 7.990 -5.574 8.627 1.00 0.00 O ATOM 385 CB THR A 26 5.476 -4.624 9.848 1.00 0.00 C ATOM 386 OG1 THR A 26 4.125 -4.195 9.953 1.00 0.00 O ATOM 387 CG2 THR A 26 6.200 -4.221 11.119 1.00 0.00 C ATOM 0 H THR A 26 5.883 -5.499 7.061 1.00 0.00 H new ATOM 0 HA THR A 26 6.003 -2.986 8.555 1.00 0.00 H new ATOM 0 HB THR A 26 5.538 -5.708 9.755 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.729 -4.559 10.772 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.688 -4.649 11.981 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.225 -4.590 11.086 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.208 -3.134 11.204 1.00 0.00 H new ATOM 395 N GLY A 27 8.458 -3.379 8.452 1.00 0.00 N ATOM 396 CA GLY A 27 9.894 -3.611 8.418 1.00 0.00 C ATOM 397 C GLY A 27 10.708 -2.403 8.838 1.00 0.00 C ATOM 398 O GLY A 27 10.182 -1.303 8.980 1.00 0.00 O ATOM 0 H GLY A 27 8.177 -2.400 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.135 -4.448 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.184 -3.902 7.408 1.00 0.00 H new ATOM 402 N SER A 28 12.003 -2.624 9.044 1.00 0.00 N ATOM 403 CA SER A 28 12.918 -1.563 9.463 1.00 0.00 C ATOM 404 C SER A 28 13.893 -1.186 8.350 1.00 0.00 C ATOM 405 O SER A 28 13.997 -1.879 7.340 1.00 0.00 O ATOM 406 CB SER A 28 13.705 -2.020 10.695 1.00 0.00 C ATOM 407 OG SER A 28 13.365 -3.347 11.055 1.00 0.00 O ATOM 0 H SER A 28 12.447 -3.535 8.927 1.00 0.00 H new ATOM 0 HA SER A 28 12.321 -0.683 9.702 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.774 -1.958 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.501 -1.350 11.530 1.00 0.00 H new ATOM 0 HG SER A 28 13.882 -3.615 11.843 1.00 0.00 H new ATOM 413 N VAL A 29 14.621 -0.091 8.566 1.00 0.00 N ATOM 414 CA VAL A 29 15.613 0.383 7.607 1.00 0.00 C ATOM 415 C VAL A 29 17.031 0.108 8.112 1.00 0.00 C ATOM 416 O VAL A 29 17.664 -0.857 7.683 1.00 0.00 O ATOM 417 CB VAL A 29 15.418 1.891 7.258 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.188 2.744 8.502 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.592 2.431 6.445 1.00 0.00 C ATOM 0 H VAL A 29 14.540 0.486 9.403 1.00 0.00 H new ATOM 0 HA VAL A 29 15.466 -0.176 6.683 1.00 0.00 H new ATOM 0 HB VAL A 29 14.519 1.956 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.058 3.786 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.294 2.398 9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.048 2.658 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.424 3.484 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.512 2.326 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.679 1.870 5.515 1.00 0.00 H new ATOM 429 N ASP A 30 17.524 0.932 9.028 1.00 0.00 N ATOM 430 CA ASP A 30 18.855 0.738 9.583 1.00 0.00 C ATOM 431 C ASP A 30 18.768 -0.035 10.893 1.00 0.00 C ATOM 432 O ASP A 30 19.448 0.292 11.867 1.00 0.00 O ATOM 433 CB ASP A 30 19.544 2.084 9.802 1.00 0.00 C ATOM 434 CG ASP A 30 20.285 2.562 8.567 1.00 0.00 C ATOM 435 OD1 ASP A 30 19.699 2.507 7.465 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.450 2.991 8.702 1.00 0.00 O ATOM 0 H ASP A 30 17.023 1.738 9.401 1.00 0.00 H new ATOM 0 HA ASP A 30 19.449 0.160 8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.800 2.828 10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.244 2.000 10.633 1.00 0.00 H new ATOM 441 N GLY A 31 17.912 -1.049 10.914 1.00 0.00 N ATOM 442 CA GLY A 31 17.730 -1.841 12.114 1.00 0.00 C ATOM 443 C GLY A 31 16.540 -1.375 12.932 1.00 0.00 C ATOM 444 O GLY A 31 16.106 -2.062 13.856 1.00 0.00 O ATOM 0 H GLY A 31 17.340 -1.337 10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.593 -2.887 11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.632 -1.787 12.724 1.00 0.00 H new ATOM 448 N GLU A 32 16.007 -0.203 12.587 1.00 0.00 N ATOM 449 CA GLU A 32 14.858 0.354 13.294 1.00 0.00 C ATOM 450 C GLU A 32 13.824 0.896 12.308 1.00 0.00 C ATOM 451 O GLU A 32 14.127 1.760 11.485 1.00 0.00 O ATOM 452 CB GLU A 32 15.309 1.459 14.248 1.00 0.00 C ATOM 453 CG GLU A 32 16.492 1.062 15.116 1.00 0.00 C ATOM 454 CD GLU A 32 16.780 2.075 16.206 1.00 0.00 C ATOM 455 OE1 GLU A 32 16.681 3.290 15.929 1.00 0.00 O ATOM 456 OE2 GLU A 32 17.105 1.655 17.336 1.00 0.00 O ATOM 0 H GLU A 32 16.353 0.377 11.823 1.00 0.00 H new ATOM 0 HA GLU A 32 14.393 -0.444 13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.574 2.343 13.668 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.474 1.737 14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.295 0.091 15.570 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.376 0.947 14.489 1.00 0.00 H new ATOM 463 N GLU A 33 12.609 0.366 12.394 1.00 0.00 N ATOM 464 CA GLU A 33 11.528 0.770 11.511 1.00 0.00 C ATOM 465 C GLU A 33 11.268 2.258 11.608 1.00 0.00 C ATOM 466 O GLU A 33 10.968 2.789 12.677 1.00 0.00 O ATOM 467 CB GLU A 33 10.254 -0.021 11.816 1.00 0.00 C ATOM 468 CG GLU A 33 9.900 -0.098 13.290 1.00 0.00 C ATOM 469 CD GLU A 33 8.629 -0.887 13.534 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.450 -1.936 12.882 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.813 -0.453 14.372 1.00 0.00 O ATOM 0 H GLU A 33 12.350 -0.350 13.073 1.00 0.00 H new ATOM 0 HA GLU A 33 11.834 0.549 10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.422 0.433 11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.369 -1.034 11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.723 -0.560 13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.781 0.910 13.686 1.00 0.00 H new ATOM 478 N PHE A 34 11.415 2.926 10.479 1.00 0.00 N ATOM 479 CA PHE A 34 11.236 4.375 10.381 1.00 0.00 C ATOM 480 C PHE A 34 9.764 4.756 10.216 1.00 0.00 C ATOM 481 O PHE A 34 8.894 4.228 10.907 1.00 0.00 O ATOM 482 CB PHE A 34 12.098 4.912 9.212 1.00 0.00 C ATOM 483 CG PHE A 34 11.750 4.350 7.846 1.00 0.00 C ATOM 484 CD1 PHE A 34 12.035 3.029 7.521 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.139 5.145 6.884 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.715 2.516 6.278 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.819 4.636 5.639 1.00 0.00 C ATOM 488 CZ PHE A 34 11.106 3.320 5.336 1.00 0.00 C ATOM 0 H PHE A 34 11.663 2.482 9.595 1.00 0.00 H new ATOM 0 HA PHE A 34 11.567 4.836 11.311 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.000 5.997 9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.145 4.693 9.422 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.514 2.393 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.911 6.176 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.941 1.486 6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.344 5.268 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.855 2.921 4.364 1.00 0.00 H new ATOM 498 N GLU A 35 9.497 5.659 9.293 1.00 0.00 N ATOM 499 CA GLU A 35 8.135 6.109 9.007 1.00 0.00 C ATOM 500 C GLU A 35 7.331 5.000 8.332 1.00 0.00 C ATOM 501 O GLU A 35 6.269 4.605 8.812 1.00 0.00 O ATOM 502 CB GLU A 35 8.159 7.343 8.099 1.00 0.00 C ATOM 503 CG GLU A 35 8.828 8.557 8.724 1.00 0.00 C ATOM 504 CD GLU A 35 10.341 8.466 8.700 1.00 0.00 C ATOM 505 OE1 GLU A 35 10.922 8.536 7.595 1.00 0.00 O ATOM 506 OE2 GLU A 35 10.946 8.323 9.783 1.00 0.00 O ATOM 0 H GLU A 35 10.211 6.105 8.717 1.00 0.00 H new ATOM 0 HA GLU A 35 7.661 6.367 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.678 7.091 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.135 7.603 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.513 9.455 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.490 8.663 9.755 1.00 0.00 H new ATOM 513 N GLY A 36 7.854 4.505 7.211 1.00 0.00 N ATOM 514 CA GLY A 36 7.187 3.446 6.472 1.00 0.00 C ATOM 515 C GLY A 36 7.414 2.073 7.072 1.00 0.00 C ATOM 516 O GLY A 36 7.080 1.061 6.459 1.00 0.00 O ATOM 0 H GLY A 36 8.733 4.821 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.117 3.651 6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.543 3.450 5.442 1.00 0.00 H new ATOM 520 N GLY A 37 7.981 2.032 8.274 1.00 0.00 N ATOM 521 CA GLY A 37 8.241 0.767 8.926 1.00 0.00 C ATOM 522 C GLY A 37 6.996 -0.087 9.095 1.00 0.00 C ATOM 523 O GLY A 37 7.092 -1.267 9.433 1.00 0.00 O ATOM 0 H GLY A 37 8.264 2.855 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.978 0.212 8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.681 0.954 9.906 1.00 0.00 H new ATOM 527 N LYS A 38 5.827 0.496 8.848 1.00 0.00 N ATOM 528 CA LYS A 38 4.576 -0.235 8.967 1.00 0.00 C ATOM 529 C LYS A 38 3.550 0.280 7.970 1.00 0.00 C ATOM 530 O LYS A 38 3.281 1.479 7.893 1.00 0.00 O ATOM 531 CB LYS A 38 4.025 -0.133 10.387 1.00 0.00 C ATOM 532 CG LYS A 38 4.371 -1.335 11.250 1.00 0.00 C ATOM 533 CD LYS A 38 5.122 -0.921 12.501 1.00 0.00 C ATOM 534 CE LYS A 38 4.272 -0.021 13.377 1.00 0.00 C ATOM 535 NZ LYS A 38 4.808 0.073 14.763 1.00 0.00 N ATOM 0 H LYS A 38 5.723 1.470 8.565 1.00 0.00 H new ATOM 0 HA LYS A 38 4.778 -1.283 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.416 0.769 10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.941 -0.025 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.457 -1.859 11.529 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.977 -2.035 10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.416 -1.808 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.039 -0.402 12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.226 0.975 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.252 -0.403 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.614 1.020 15.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.350 -0.644 15.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.835 -0.092 14.750 1.00 0.00 H new ATOM 549 N ALA A 39 2.975 -0.643 7.214 1.00 0.00 N ATOM 550 CA ALA A 39 1.969 -0.310 6.216 1.00 0.00 C ATOM 551 C ALA A 39 0.874 -1.365 6.200 1.00 0.00 C ATOM 552 O ALA A 39 1.135 -2.551 6.409 1.00 0.00 O ATOM 553 CB ALA A 39 2.598 -0.179 4.836 1.00 0.00 C ATOM 0 H ALA A 39 3.191 -1.638 7.274 1.00 0.00 H new ATOM 0 HA ALA A 39 1.528 0.651 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.827 0.070 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.350 0.610 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.068 -1.123 4.559 1.00 0.00 H new ATOM 559 N SER A 40 -0.351 -0.930 5.952 1.00 0.00 N ATOM 560 CA SER A 40 -1.484 -1.839 5.909 1.00 0.00 C ATOM 561 C SER A 40 -2.114 -1.849 4.524 1.00 0.00 C ATOM 562 O SER A 40 -2.148 -2.878 3.852 1.00 0.00 O ATOM 563 CB SER A 40 -2.526 -1.441 6.955 1.00 0.00 C ATOM 564 OG SER A 40 -3.698 -2.227 6.831 1.00 0.00 O ATOM 0 H SER A 40 -0.586 0.047 5.777 1.00 0.00 H new ATOM 0 HA SER A 40 -1.123 -2.843 6.133 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.107 -1.562 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.777 -0.387 6.840 1.00 0.00 H new ATOM 0 HG SER A 40 -4.348 -1.955 7.512 1.00 0.00 H new ATOM 570 N ASP A 41 -2.554 -0.687 4.069 1.00 0.00 N ATOM 571 CA ASP A 41 -3.113 -0.541 2.742 1.00 0.00 C ATOM 572 C ASP A 41 -2.076 0.113 1.844 1.00 0.00 C ATOM 573 O ASP A 41 -2.232 1.269 1.451 1.00 0.00 O ATOM 574 CB ASP A 41 -4.397 0.294 2.784 1.00 0.00 C ATOM 575 CG ASP A 41 -5.556 -0.456 3.413 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.647 -1.685 3.209 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.369 0.184 4.111 1.00 0.00 O ATOM 0 H ASP A 41 -2.532 0.177 4.610 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.372 -1.523 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.213 1.210 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.667 0.591 1.771 1.00 0.00 H new ATOM 582 N PHE A 42 -1.021 -0.612 1.517 1.00 0.00 N ATOM 583 CA PHE A 42 0.024 -0.065 0.655 1.00 0.00 C ATOM 584 C PHE A 42 -0.293 -0.369 -0.798 1.00 0.00 C ATOM 585 O PHE A 42 -0.189 -1.513 -1.241 1.00 0.00 O ATOM 586 CB PHE A 42 1.399 -0.634 1.027 1.00 0.00 C ATOM 587 CG PHE A 42 2.555 0.098 0.389 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.553 1.481 0.300 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.646 -0.597 -0.123 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.611 2.155 -0.282 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.703 0.073 -0.705 1.00 0.00 C ATOM 592 CZ PHE A 42 4.687 1.452 -0.785 1.00 0.00 C ATOM 0 H PHE A 42 -0.861 -1.570 1.828 1.00 0.00 H new ATOM 0 HA PHE A 42 0.056 1.015 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.514 -0.601 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.439 -1.683 0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.715 2.039 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.666 -1.675 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.595 3.233 -0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.543 -0.481 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.513 1.978 -1.239 1.00 0.00 H new ATOM 602 N VAL A 43 -0.681 0.660 -1.539 1.00 0.00 N ATOM 603 CA VAL A 43 -1.013 0.500 -2.943 1.00 0.00 C ATOM 604 C VAL A 43 0.240 0.565 -3.802 1.00 0.00 C ATOM 605 O VAL A 43 0.717 1.646 -4.150 1.00 0.00 O ATOM 606 CB VAL A 43 -2.008 1.580 -3.401 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.421 1.352 -4.848 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.226 1.598 -2.486 1.00 0.00 C ATOM 0 H VAL A 43 -0.773 1.614 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.478 -0.479 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.518 2.552 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.125 2.127 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.540 1.391 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.895 0.375 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.922 2.367 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.718 0.626 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.911 1.814 -1.465 1.00 0.00 H new ATOM 618 N LEU A 44 0.772 -0.601 -4.130 1.00 0.00 N ATOM 619 CA LEU A 44 1.975 -0.699 -4.939 1.00 0.00 C ATOM 620 C LEU A 44 1.628 -0.757 -6.422 1.00 0.00 C ATOM 621 O LEU A 44 0.665 -1.411 -6.811 1.00 0.00 O ATOM 622 CB LEU A 44 2.763 -1.945 -4.539 1.00 0.00 C ATOM 623 CG LEU A 44 4.233 -1.713 -4.191 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.970 -3.034 -4.150 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.886 -0.776 -5.195 1.00 0.00 C ATOM 0 H LEU A 44 0.385 -1.501 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 44 2.584 0.188 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.273 -2.403 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.711 -2.664 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 44 4.285 -1.246 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.017 -2.859 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.520 -3.678 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.905 -3.518 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.932 -0.626 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.827 -1.212 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.368 0.183 -5.187 1.00 0.00 H new ATOM 637 N ALA A 45 2.417 -0.067 -7.238 1.00 0.00 N ATOM 638 CA ALA A 45 2.197 -0.032 -8.682 1.00 0.00 C ATOM 639 C ALA A 45 3.245 -0.856 -9.439 1.00 0.00 C ATOM 640 O ALA A 45 4.391 -0.429 -9.584 1.00 0.00 O ATOM 641 CB ALA A 45 2.212 1.409 -9.168 1.00 0.00 C ATOM 0 H ALA A 45 3.219 0.479 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 45 1.223 -0.478 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.048 1.431 -10.245 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.422 1.970 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.177 1.860 -8.939 1.00 0.00 H new ATOM 647 N MET A 46 2.848 -2.034 -9.924 1.00 0.00 N ATOM 648 CA MET A 46 3.755 -2.904 -10.666 1.00 0.00 C ATOM 649 C MET A 46 4.174 -2.277 -11.987 1.00 0.00 C ATOM 650 O MET A 46 3.625 -2.604 -13.038 1.00 0.00 O ATOM 651 CB MET A 46 3.097 -4.253 -10.932 1.00 0.00 C ATOM 652 CG MET A 46 3.293 -5.237 -9.799 1.00 0.00 C ATOM 653 SD MET A 46 2.081 -5.032 -8.489 1.00 0.00 S ATOM 654 CE MET A 46 2.904 -3.807 -7.482 1.00 0.00 C ATOM 0 H MET A 46 1.904 -2.405 -9.815 1.00 0.00 H new ATOM 0 HA MET A 46 4.646 -3.045 -10.054 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.030 -4.105 -11.097 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.506 -4.677 -11.849 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.232 -6.253 -10.190 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.294 -5.115 -9.385 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.150 -4.239 -6.512 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.819 -3.484 -7.978 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.246 -2.950 -7.341 1.00 0.00 H new ATOM 664 N GLY A 47 5.157 -1.388 -11.922 1.00 0.00 N ATOM 665 CA GLY A 47 5.649 -0.735 -13.122 1.00 0.00 C ATOM 666 C GLY A 47 5.177 0.700 -13.246 1.00 0.00 C ATOM 667 O GLY A 47 4.545 1.071 -14.236 1.00 0.00 O ATOM 0 H GLY A 47 5.623 -1.107 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.739 -0.755 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.321 -1.297 -13.996 1.00 0.00 H new ATOM 671 N GLN A 48 5.496 1.511 -12.245 1.00 0.00 N ATOM 672 CA GLN A 48 5.115 2.917 -12.244 1.00 0.00 C ATOM 673 C GLN A 48 6.346 3.795 -12.433 1.00 0.00 C ATOM 674 O GLN A 48 6.550 4.378 -13.497 1.00 0.00 O ATOM 675 CB GLN A 48 4.407 3.272 -10.934 1.00 0.00 C ATOM 676 CG GLN A 48 3.168 4.132 -11.120 1.00 0.00 C ATOM 677 CD GLN A 48 3.338 5.529 -10.555 1.00 0.00 C ATOM 678 OE1 GLN A 48 4.450 5.950 -10.234 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.234 6.255 -10.428 1.00 0.00 N ATOM 0 H GLN A 48 6.020 1.217 -11.421 1.00 0.00 H new ATOM 0 HA GLN A 48 4.428 3.095 -13.071 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.125 2.351 -10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.107 3.796 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.933 4.200 -12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.319 3.649 -10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.333 5.866 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.287 7.202 -10.052 1.00 0.00 H new ATOM 688 N GLY A 49 7.173 3.871 -11.395 1.00 0.00 N ATOM 689 CA GLY A 49 8.386 4.662 -11.465 1.00 0.00 C ATOM 690 C GLY A 49 9.607 3.802 -11.732 1.00 0.00 C ATOM 691 O GLY A 49 10.373 4.065 -12.658 1.00 0.00 O ATOM 0 H GLY A 49 7.023 3.397 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.288 5.408 -12.254 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.521 5.204 -10.529 1.00 0.00 H new ATOM 695 N ARG A 50 9.776 2.766 -10.916 1.00 0.00 N ATOM 696 CA ARG A 50 10.898 1.846 -11.055 1.00 0.00 C ATOM 697 C ARG A 50 10.843 0.768 -9.976 1.00 0.00 C ATOM 698 O ARG A 50 11.676 0.733 -9.071 1.00 0.00 O ATOM 699 CB ARG A 50 12.229 2.598 -10.978 1.00 0.00 C ATOM 700 CG ARG A 50 12.490 3.247 -9.627 1.00 0.00 C ATOM 701 CD ARG A 50 13.816 2.793 -9.032 1.00 0.00 C ATOM 702 NE ARG A 50 14.870 2.709 -10.042 1.00 0.00 N ATOM 703 CZ ARG A 50 15.405 1.569 -10.477 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.995 0.400 -9.998 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.357 1.598 -11.401 1.00 0.00 N ATOM 0 H ARG A 50 9.145 2.542 -10.147 1.00 0.00 H new ATOM 0 HA ARG A 50 10.825 1.369 -12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.041 1.905 -11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.246 3.368 -11.750 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.493 4.331 -9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.680 2.999 -8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.119 3.488 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.687 1.819 -8.561 1.00 0.00 H new ATOM 0 HE ARG A 50 15.219 3.581 -10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.263 0.368 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.413 -0.466 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.677 2.491 -11.776 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.769 0.727 -11.736 1.00 0.00 H new ATOM 719 N MET A 51 9.848 -0.110 -10.077 1.00 0.00 N ATOM 720 CA MET A 51 9.674 -1.190 -9.107 1.00 0.00 C ATOM 721 C MET A 51 10.995 -1.901 -8.825 1.00 0.00 C ATOM 722 O MET A 51 11.540 -2.590 -9.687 1.00 0.00 O ATOM 723 CB MET A 51 8.641 -2.197 -9.619 1.00 0.00 C ATOM 724 CG MET A 51 7.967 -2.991 -8.510 1.00 0.00 C ATOM 725 SD MET A 51 6.312 -2.386 -8.125 1.00 0.00 S ATOM 726 CE MET A 51 6.626 -0.634 -7.929 1.00 0.00 C ATOM 0 H MET A 51 9.150 -0.095 -10.820 1.00 0.00 H new ATOM 0 HA MET A 51 9.319 -0.749 -8.175 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.879 -1.666 -10.190 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.129 -2.889 -10.306 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.907 -4.039 -8.804 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.583 -2.947 -7.612 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.709 -0.133 -7.618 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.396 -0.485 -7.172 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.964 -0.217 -8.877 1.00 0.00 H new ATOM 736 N ILE A 52 11.500 -1.733 -7.606 1.00 0.00 N ATOM 737 CA ILE A 52 12.756 -2.362 -7.205 1.00 0.00 C ATOM 738 C ILE A 52 12.598 -3.876 -7.105 1.00 0.00 C ATOM 739 O ILE A 52 11.484 -4.382 -6.972 1.00 0.00 O ATOM 740 CB ILE A 52 13.276 -1.822 -5.849 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.120 -1.461 -4.911 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.175 -0.617 -6.071 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.560 -1.137 -3.500 1.00 0.00 C ATOM 0 H ILE A 52 11.060 -1.168 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 52 13.484 -2.115 -7.978 1.00 0.00 H new ATOM 0 HB ILE A 52 13.856 -2.613 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.585 -0.604 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.415 -2.292 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.533 -0.248 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.026 -0.906 -6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.612 0.169 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.688 -0.891 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.069 -2.000 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.241 -0.286 -3.518 1.00 0.00 H new ATOM 755 N PRO A 53 13.714 -4.625 -7.161 1.00 0.00 N ATOM 756 CA PRO A 53 13.686 -6.087 -7.069 1.00 0.00 C ATOM 757 C PRO A 53 13.034 -6.559 -5.778 1.00 0.00 C ATOM 758 O PRO A 53 12.580 -7.696 -5.678 1.00 0.00 O ATOM 759 CB PRO A 53 15.164 -6.492 -7.103 1.00 0.00 C ATOM 760 CG PRO A 53 15.920 -5.248 -6.784 1.00 0.00 C ATOM 761 CD PRO A 53 15.085 -4.112 -7.302 1.00 0.00 C ATOM 0 HA PRO A 53 13.101 -6.533 -7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.374 -7.277 -6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.443 -6.881 -8.082 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.083 -5.155 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.903 -5.257 -7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.238 -3.201 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.323 -3.875 -8.339 1.00 0.00 H new ATOM 769 N GLY A 54 12.990 -5.671 -4.792 1.00 0.00 N ATOM 770 CA GLY A 54 12.391 -6.007 -3.519 1.00 0.00 C ATOM 771 C GLY A 54 10.892 -6.186 -3.616 1.00 0.00 C ATOM 772 O GLY A 54 10.365 -7.262 -3.321 1.00 0.00 O ATOM 0 H GLY A 54 13.360 -4.723 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.840 -6.925 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.614 -5.222 -2.797 1.00 0.00 H new ATOM 776 N PHE A 55 10.198 -5.133 -4.035 1.00 0.00 N ATOM 777 CA PHE A 55 8.758 -5.187 -4.167 1.00 0.00 C ATOM 778 C PHE A 55 8.356 -6.053 -5.352 1.00 0.00 C ATOM 779 O PHE A 55 7.470 -6.900 -5.245 1.00 0.00 O ATOM 780 CB PHE A 55 8.177 -3.784 -4.342 1.00 0.00 C ATOM 781 CG PHE A 55 8.173 -2.945 -3.091 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.368 -3.276 -2.009 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.972 -1.817 -3.003 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.363 -2.502 -0.871 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.971 -1.037 -1.861 1.00 0.00 C ATOM 786 CZ PHE A 55 8.165 -1.380 -0.795 1.00 0.00 C ATOM 0 H PHE A 55 10.614 -4.236 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 55 8.358 -5.627 -3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.747 -3.263 -5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.154 -3.872 -4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.738 -4.152 -2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.603 -1.543 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.732 -2.772 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.600 -0.161 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.161 -0.772 0.098 1.00 0.00 H new ATOM 796 N GLU A 56 9.016 -5.835 -6.484 1.00 0.00 N ATOM 797 CA GLU A 56 8.730 -6.594 -7.693 1.00 0.00 C ATOM 798 C GLU A 56 8.786 -8.095 -7.422 1.00 0.00 C ATOM 799 O GLU A 56 8.206 -8.886 -8.162 1.00 0.00 O ATOM 800 CB GLU A 56 9.718 -6.220 -8.802 1.00 0.00 C ATOM 801 CG GLU A 56 9.047 -5.905 -10.129 1.00 0.00 C ATOM 802 CD GLU A 56 9.785 -6.494 -11.313 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.319 -7.616 -11.183 1.00 0.00 O ATOM 804 OE2 GLU A 56 9.828 -5.834 -12.374 1.00 0.00 O ATOM 0 H GLU A 56 9.753 -5.138 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 56 7.721 -6.344 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.300 -5.355 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.420 -7.041 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.027 -6.288 -10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.980 -4.824 -10.250 1.00 0.00 H new ATOM 811 N ASP A 57 9.491 -8.485 -6.361 1.00 0.00 N ATOM 812 CA ASP A 57 9.615 -9.894 -6.008 1.00 0.00 C ATOM 813 C ASP A 57 8.375 -10.389 -5.267 1.00 0.00 C ATOM 814 O ASP A 57 7.552 -11.109 -5.833 1.00 0.00 O ATOM 815 CB ASP A 57 10.867 -10.126 -5.158 1.00 0.00 C ATOM 816 CG ASP A 57 11.215 -11.596 -5.021 1.00 0.00 C ATOM 817 OD1 ASP A 57 10.285 -12.428 -5.001 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.421 -11.912 -4.936 1.00 0.00 O ATOM 0 H ASP A 57 9.982 -7.847 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 57 9.707 -10.463 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.709 -9.597 -5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.713 -9.699 -4.167 1.00 0.00 H new ATOM 823 N GLY A 58 8.256 -10.023 -3.991 1.00 0.00 N ATOM 824 CA GLY A 58 7.123 -10.467 -3.199 1.00 0.00 C ATOM 825 C GLY A 58 5.813 -9.924 -3.712 1.00 0.00 C ATOM 826 O GLY A 58 4.883 -10.677 -3.999 1.00 0.00 O ATOM 0 H GLY A 58 8.921 -9.430 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.087 -11.556 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.262 -10.154 -2.164 1.00 0.00 H new ATOM 830 N ILE A 59 5.746 -8.609 -3.830 1.00 0.00 N ATOM 831 CA ILE A 59 4.570 -7.921 -4.309 1.00 0.00 C ATOM 832 C ILE A 59 4.482 -7.985 -5.823 1.00 0.00 C ATOM 833 O ILE A 59 4.043 -7.047 -6.488 1.00 0.00 O ATOM 834 CB ILE A 59 4.604 -6.458 -3.846 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.015 -6.370 -2.374 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.252 -5.809 -4.054 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.499 -6.491 -2.127 1.00 0.00 C ATOM 0 H ILE A 59 6.518 -7.986 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 59 3.689 -8.413 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 59 5.343 -5.924 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.669 -5.418 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.503 -7.156 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.291 -4.772 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.992 -5.841 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.498 -6.346 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.697 -6.417 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.852 -7.454 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.021 -5.689 -2.649 1.00 0.00 H new ATOM 849 N LYS A 60 4.847 -9.145 -6.335 1.00 0.00 N ATOM 850 CA LYS A 60 4.746 -9.393 -7.760 1.00 0.00 C ATOM 851 C LYS A 60 3.321 -9.030 -8.162 1.00 0.00 C ATOM 852 O LYS A 60 3.080 -8.281 -9.109 1.00 0.00 O ATOM 853 CB LYS A 60 5.052 -10.857 -8.090 1.00 0.00 C ATOM 854 CG LYS A 60 6.444 -11.070 -8.660 1.00 0.00 C ATOM 855 CD LYS A 60 6.742 -12.545 -8.888 1.00 0.00 C ATOM 856 CE LYS A 60 8.074 -12.949 -8.266 1.00 0.00 C ATOM 857 NZ LYS A 60 7.933 -14.131 -7.371 1.00 0.00 N ATOM 0 H LYS A 60 5.214 -9.925 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 60 5.473 -8.796 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.942 -11.456 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.315 -11.222 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.537 -10.530 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.184 -10.651 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.942 -13.149 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.761 -12.752 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.790 -13.175 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.479 -12.111 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.860 -14.374 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.269 -13.907 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.571 -14.939 -7.917 1.00 0.00 H new ATOM 871 N GLY A 61 2.391 -9.620 -7.425 1.00 0.00 N ATOM 872 CA GLY A 61 0.978 -9.440 -7.668 1.00 0.00 C ATOM 873 C GLY A 61 0.402 -10.717 -8.213 1.00 0.00 C ATOM 874 O GLY A 61 -0.324 -10.731 -9.206 1.00 0.00 O ATOM 0 H GLY A 61 2.602 -10.237 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.470 -9.164 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.819 -8.625 -8.374 1.00 0.00 H new ATOM 878 N HIS A 62 0.772 -11.807 -7.554 1.00 0.00 N ATOM 879 CA HIS A 62 0.337 -13.139 -7.970 1.00 0.00 C ATOM 880 C HIS A 62 -0.238 -13.961 -6.819 1.00 0.00 C ATOM 881 O HIS A 62 -0.540 -15.141 -6.988 1.00 0.00 O ATOM 882 CB HIS A 62 1.509 -13.896 -8.606 1.00 0.00 C ATOM 883 CG HIS A 62 2.698 -14.077 -7.702 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.663 -15.039 -7.920 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.085 -13.414 -6.582 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.587 -14.962 -6.979 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.260 -13.984 -6.156 1.00 0.00 N ATOM 0 H HIS A 62 1.372 -11.798 -6.729 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.462 -12.998 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.160 -14.877 -8.927 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.827 -13.362 -9.501 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.566 -12.591 -6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.461 -15.592 -6.897 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.794 -13.697 -5.335 1.00 0.00 H new ATOM 895 N LYS A 63 -0.390 -13.347 -5.653 1.00 0.00 N ATOM 896 CA LYS A 63 -0.927 -14.051 -4.496 1.00 0.00 C ATOM 897 C LYS A 63 -1.752 -13.114 -3.617 1.00 0.00 C ATOM 898 O LYS A 63 -1.262 -12.585 -2.619 1.00 0.00 O ATOM 899 CB LYS A 63 0.211 -14.681 -3.689 1.00 0.00 C ATOM 900 CG LYS A 63 1.212 -15.442 -4.549 1.00 0.00 C ATOM 901 CD LYS A 63 2.444 -15.845 -3.753 1.00 0.00 C ATOM 902 CE LYS A 63 2.536 -17.355 -3.583 1.00 0.00 C ATOM 903 NZ LYS A 63 1.273 -17.942 -3.050 1.00 0.00 N ATOM 0 H LYS A 63 -0.151 -12.370 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.587 -14.842 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.735 -13.898 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.211 -15.360 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.736 -16.333 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.511 -14.822 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.339 -15.481 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.415 -15.370 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.770 -17.813 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.358 -17.593 -2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.493 -18.571 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.645 -17.179 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.800 -18.486 -3.799 1.00 0.00 H new ATOM 917 N ALA A 64 -3.017 -12.932 -3.988 1.00 0.00 N ATOM 918 CA ALA A 64 -3.931 -12.084 -3.233 1.00 0.00 C ATOM 919 C ALA A 64 -4.118 -12.590 -1.802 1.00 0.00 C ATOM 920 O ALA A 64 -4.896 -13.513 -1.562 1.00 0.00 O ATOM 921 CB ALA A 64 -5.272 -11.994 -3.944 1.00 0.00 C ATOM 0 H ALA A 64 -3.433 -13.364 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.491 -11.088 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.946 -11.358 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.129 -11.569 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.703 -12.991 -4.035 1.00 0.00 H new ATOM 927 N GLY A 65 -3.412 -11.979 -0.855 1.00 0.00 N ATOM 928 CA GLY A 65 -3.533 -12.383 0.539 1.00 0.00 C ATOM 929 C GLY A 65 -2.387 -13.263 0.999 1.00 0.00 C ATOM 930 O GLY A 65 -2.562 -14.115 1.870 1.00 0.00 O ATOM 0 H GLY A 65 -2.760 -11.213 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.577 -11.494 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.473 -12.917 0.677 1.00 0.00 H new ATOM 934 N GLU A 66 -1.209 -13.046 0.429 1.00 0.00 N ATOM 935 CA GLU A 66 -0.026 -13.814 0.800 1.00 0.00 C ATOM 936 C GLU A 66 0.860 -13.035 1.764 1.00 0.00 C ATOM 937 O GLU A 66 1.012 -11.826 1.626 1.00 0.00 O ATOM 938 CB GLU A 66 0.776 -14.203 -0.437 1.00 0.00 C ATOM 939 CG GLU A 66 1.556 -15.492 -0.258 1.00 0.00 C ATOM 940 CD GLU A 66 0.665 -16.719 -0.295 1.00 0.00 C ATOM 941 OE1 GLU A 66 -0.422 -16.644 -0.905 1.00 0.00 O ATOM 942 OE2 GLU A 66 1.056 -17.752 0.286 1.00 0.00 O ATOM 0 H GLU A 66 -1.046 -12.344 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.369 -14.719 1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.098 -14.310 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.468 -13.397 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.309 -15.570 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.088 -15.462 0.693 1.00 0.00 H new ATOM 949 N GLU A 67 1.466 -13.734 2.720 1.00 0.00 N ATOM 950 CA GLU A 67 2.357 -13.093 3.684 1.00 0.00 C ATOM 951 C GLU A 67 3.808 -13.480 3.403 1.00 0.00 C ATOM 952 O GLU A 67 4.200 -14.632 3.591 1.00 0.00 O ATOM 953 CB GLU A 67 1.976 -13.481 5.115 1.00 0.00 C ATOM 954 CG GLU A 67 0.511 -13.240 5.441 1.00 0.00 C ATOM 955 CD GLU A 67 -0.006 -14.166 6.524 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.455 -14.045 7.678 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.872 -15.012 6.218 1.00 0.00 O ATOM 0 H GLU A 67 1.357 -14.740 2.848 1.00 0.00 H new ATOM 0 HA GLU A 67 2.253 -12.013 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.205 -14.535 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.593 -12.915 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.379 -12.206 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.085 -13.374 4.538 1.00 0.00 H new ATOM 964 N PHE A 68 4.595 -12.518 2.930 1.00 0.00 N ATOM 965 CA PHE A 68 5.997 -12.768 2.600 1.00 0.00 C ATOM 966 C PHE A 68 6.894 -11.639 3.100 1.00 0.00 C ATOM 967 O PHE A 68 6.416 -10.569 3.469 1.00 0.00 O ATOM 968 CB PHE A 68 6.146 -12.914 1.092 1.00 0.00 C ATOM 969 CG PHE A 68 5.538 -11.764 0.361 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.241 -10.586 0.215 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.257 -11.850 -0.153 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.680 -9.509 -0.438 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.686 -10.776 -0.805 1.00 0.00 C ATOM 974 CZ PHE A 68 4.400 -9.604 -0.949 1.00 0.00 C ATOM 0 H PHE A 68 4.288 -11.559 2.766 1.00 0.00 H new ATOM 0 HA PHE A 68 6.306 -13.689 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.203 -12.989 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.673 -13.841 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.241 -10.507 0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.698 -12.767 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.240 -8.593 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.684 -10.853 -1.201 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.959 -8.762 -1.461 1.00 0.00 H new ATOM 984 N THR A 69 8.196 -11.886 3.111 1.00 0.00 N ATOM 985 CA THR A 69 9.160 -10.892 3.567 1.00 0.00 C ATOM 986 C THR A 69 10.222 -10.643 2.506 1.00 0.00 C ATOM 987 O THR A 69 10.913 -11.571 2.086 1.00 0.00 O ATOM 988 CB THR A 69 9.821 -11.360 4.864 1.00 0.00 C ATOM 989 OG1 THR A 69 8.847 -11.781 5.800 1.00 0.00 O ATOM 990 CG2 THR A 69 10.667 -10.298 5.529 1.00 0.00 C ATOM 0 H THR A 69 8.611 -12.768 2.809 1.00 0.00 H new ATOM 0 HA THR A 69 8.629 -9.958 3.750 1.00 0.00 H new ATOM 0 HB THR A 69 10.471 -12.184 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.290 -12.078 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.104 -10.701 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.463 -9.990 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.045 -9.437 5.773 1.00 0.00 H new ATOM 998 N ILE A 70 10.364 -9.388 2.075 1.00 0.00 N ATOM 999 CA ILE A 70 11.362 -9.061 1.068 1.00 0.00 C ATOM 1000 C ILE A 70 12.189 -7.861 1.494 1.00 0.00 C ATOM 1001 O ILE A 70 11.805 -7.117 2.398 1.00 0.00 O ATOM 1002 CB ILE A 70 10.724 -8.777 -0.313 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.915 -7.474 -0.289 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.851 -9.946 -0.748 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.667 -7.543 0.562 1.00 0.00 C ATOM 0 H ILE A 70 9.809 -8.598 2.403 1.00 0.00 H new ATOM 0 HA ILE A 70 12.007 -9.934 0.974 1.00 0.00 H new ATOM 0 HB ILE A 70 11.528 -8.658 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.551 -6.670 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.633 -7.214 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.411 -9.729 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.459 -10.848 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.057 -10.099 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.150 -6.584 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.009 -8.324 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.941 -7.771 1.592 1.00 0.00 H new ATOM 1017 N ASP A 71 13.308 -7.657 0.818 1.00 0.00 N ATOM 1018 CA ASP A 71 14.169 -6.525 1.099 1.00 0.00 C ATOM 1019 C ASP A 71 13.802 -5.391 0.159 1.00 0.00 C ATOM 1020 O ASP A 71 13.374 -5.638 -0.964 1.00 0.00 O ATOM 1021 CB ASP A 71 15.640 -6.910 0.914 1.00 0.00 C ATOM 1022 CG ASP A 71 16.181 -7.726 2.073 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.464 -8.632 2.547 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.323 -7.459 2.505 1.00 0.00 O ATOM 0 H ASP A 71 13.640 -8.264 0.069 1.00 0.00 H new ATOM 0 HA ASP A 71 14.031 -6.209 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.749 -7.480 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.237 -6.005 0.802 1.00 0.00 H new ATOM 1029 N VAL A 72 13.976 -4.155 0.595 1.00 0.00 N ATOM 1030 CA VAL A 72 13.658 -3.015 -0.257 1.00 0.00 C ATOM 1031 C VAL A 72 14.630 -1.876 -0.022 1.00 0.00 C ATOM 1032 O VAL A 72 14.906 -1.506 1.119 1.00 0.00 O ATOM 1033 CB VAL A 72 12.228 -2.498 -0.024 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.218 -3.348 -0.778 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.909 -2.459 1.459 1.00 0.00 C ATOM 0 H VAL A 72 14.331 -3.914 1.520 1.00 0.00 H new ATOM 0 HA VAL A 72 13.739 -3.368 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 72 12.164 -1.481 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.214 -2.964 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.436 -3.311 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.280 -4.380 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.893 -2.091 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.994 -3.463 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.611 -1.796 1.965 1.00 0.00 H new ATOM 1045 N THR A 73 15.133 -1.302 -1.104 1.00 0.00 N ATOM 1046 CA THR A 73 16.059 -0.187 -1.027 1.00 0.00 C ATOM 1047 C THR A 73 15.833 0.711 -2.232 1.00 0.00 C ATOM 1048 O THR A 73 15.916 0.259 -3.375 1.00 0.00 O ATOM 1049 CB THR A 73 17.505 -0.687 -0.998 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.754 -1.441 0.179 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.530 0.427 -1.061 1.00 0.00 C ATOM 0 H THR A 73 14.911 -1.596 -2.055 1.00 0.00 H new ATOM 0 HA THR A 73 15.883 0.373 -0.108 1.00 0.00 H new ATOM 0 HB THR A 73 17.613 -1.304 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.683 -1.753 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.533 0.001 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.398 0.991 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.397 1.092 -0.208 1.00 0.00 H new ATOM 1059 N PHE A 74 15.527 1.973 -1.985 1.00 0.00 N ATOM 1060 CA PHE A 74 15.269 2.909 -3.064 1.00 0.00 C ATOM 1061 C PHE A 74 16.564 3.521 -3.597 1.00 0.00 C ATOM 1062 O PHE A 74 17.370 4.052 -2.833 1.00 0.00 O ATOM 1063 CB PHE A 74 14.301 3.980 -2.582 1.00 0.00 C ATOM 1064 CG PHE A 74 12.912 3.438 -2.400 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.661 2.417 -1.497 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.868 3.932 -3.154 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.385 1.901 -1.353 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.589 3.426 -3.014 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.347 2.408 -2.113 1.00 0.00 C ATOM 0 H PHE A 74 15.451 2.372 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 74 14.814 2.372 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.656 4.392 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.280 4.800 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.469 2.020 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.052 4.725 -3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.200 1.104 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.781 3.826 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.350 2.009 -2.002 1.00 0.00 H new ATOM 1079 N PRO A 75 16.785 3.440 -4.924 1.00 0.00 N ATOM 1080 CA PRO A 75 17.996 3.977 -5.560 1.00 0.00 C ATOM 1081 C PRO A 75 18.096 5.495 -5.473 1.00 0.00 C ATOM 1082 O PRO A 75 17.246 6.154 -4.875 1.00 0.00 O ATOM 1083 CB PRO A 75 17.860 3.543 -7.021 1.00 0.00 C ATOM 1084 CG PRO A 75 16.405 3.297 -7.221 1.00 0.00 C ATOM 1085 CD PRO A 75 15.882 2.810 -5.904 1.00 0.00 C ATOM 0 HA PRO A 75 18.895 3.609 -5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.225 4.316 -7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.443 2.644 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.894 4.209 -7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.239 2.557 -8.004 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.846 3.111 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.912 1.722 -5.837 1.00 0.00 H new ATOM 1093 N GLU A 76 19.146 6.037 -6.081 1.00 0.00 N ATOM 1094 CA GLU A 76 19.375 7.477 -6.086 1.00 0.00 C ATOM 1095 C GLU A 76 18.464 8.184 -7.085 1.00 0.00 C ATOM 1096 O GLU A 76 18.373 9.412 -7.091 1.00 0.00 O ATOM 1097 CB GLU A 76 20.838 7.777 -6.414 1.00 0.00 C ATOM 1098 CG GLU A 76 21.802 7.372 -5.311 1.00 0.00 C ATOM 1099 CD GLU A 76 21.764 8.321 -4.128 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.380 9.403 -4.215 1.00 0.00 O ATOM 1101 OE2 GLU A 76 21.117 7.980 -3.116 1.00 0.00 O ATOM 0 H GLU A 76 19.855 5.498 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 76 19.142 7.854 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.110 7.257 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.947 8.844 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.559 6.365 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.815 7.338 -5.713 1.00 0.00 H new ATOM 1108 N GLU A 77 17.793 7.409 -7.932 1.00 0.00 N ATOM 1109 CA GLU A 77 16.898 7.975 -8.934 1.00 0.00 C ATOM 1110 C GLU A 77 15.501 8.195 -8.358 1.00 0.00 C ATOM 1111 O GLU A 77 14.828 9.168 -8.698 1.00 0.00 O ATOM 1112 CB GLU A 77 16.827 7.068 -10.164 1.00 0.00 C ATOM 1113 CG GLU A 77 16.505 5.618 -9.839 1.00 0.00 C ATOM 1114 CD GLU A 77 17.418 4.640 -10.557 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.353 4.571 -11.802 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.196 3.943 -9.871 1.00 0.00 O ATOM 0 H GLU A 77 17.852 6.391 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 77 17.300 8.943 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.070 7.455 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.781 7.110 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.588 5.464 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.470 5.410 -10.111 1.00 0.00 H new ATOM 1123 N TYR A 78 15.073 7.292 -7.481 1.00 0.00 N ATOM 1124 CA TYR A 78 13.759 7.400 -6.853 1.00 0.00 C ATOM 1125 C TYR A 78 13.690 8.651 -5.982 1.00 0.00 C ATOM 1126 O TYR A 78 13.017 9.623 -6.323 1.00 0.00 O ATOM 1127 CB TYR A 78 13.472 6.154 -6.008 1.00 0.00 C ATOM 1128 CG TYR A 78 12.005 5.796 -5.910 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.148 6.494 -5.063 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.480 4.753 -6.660 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.811 6.160 -4.969 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.142 4.414 -6.573 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.312 5.120 -5.726 1.00 0.00 C ATOM 1134 OH TYR A 78 7.979 4.785 -5.637 1.00 0.00 O ATOM 0 H TYR A 78 15.615 6.479 -7.189 1.00 0.00 H new ATOM 0 HA TYR A 78 13.004 7.476 -7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.013 5.308 -6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.864 6.312 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.535 7.310 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.127 4.197 -7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.159 6.710 -4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.749 3.601 -7.165 1.00 0.00 H new ATOM 0 HH TYR A 78 7.790 4.032 -6.235 1.00 0.00 H new ATOM 1144 N HIS A 79 14.413 8.615 -4.865 1.00 0.00 N ATOM 1145 CA HIS A 79 14.477 9.730 -3.925 1.00 0.00 C ATOM 1146 C HIS A 79 13.154 10.492 -3.807 1.00 0.00 C ATOM 1147 O HIS A 79 13.046 11.637 -4.245 1.00 0.00 O ATOM 1148 CB HIS A 79 15.606 10.680 -4.323 1.00 0.00 C ATOM 1149 CG HIS A 79 16.955 10.157 -3.945 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.098 10.928 -3.955 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.340 8.925 -3.529 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.126 10.198 -3.562 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.692 8.979 -3.296 1.00 0.00 N ATOM 0 H HIS A 79 14.972 7.809 -4.586 1.00 0.00 H new ATOM 0 HA HIS A 79 14.678 9.307 -2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.573 10.847 -5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.448 11.647 -3.846 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.702 8.062 -3.404 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.147 10.539 -3.473 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.268 8.203 -2.970 1.00 0.00 H new ATOM 1161 N ALA A 80 12.157 9.853 -3.197 1.00 0.00 N ATOM 1162 CA ALA A 80 10.853 10.477 -3.003 1.00 0.00 C ATOM 1163 C ALA A 80 10.838 11.310 -1.722 1.00 0.00 C ATOM 1164 O ALA A 80 11.513 10.984 -0.749 1.00 0.00 O ATOM 1165 CB ALA A 80 9.761 9.419 -2.960 1.00 0.00 C ATOM 0 H ALA A 80 12.229 8.904 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 80 10.662 11.141 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.794 9.900 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.754 8.865 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.952 8.732 -2.135 1.00 0.00 H new ATOM 1171 N GLU A 81 10.069 12.391 -1.730 1.00 0.00 N ATOM 1172 CA GLU A 81 9.976 13.274 -0.571 1.00 0.00 C ATOM 1173 C GLU A 81 9.512 12.532 0.686 1.00 0.00 C ATOM 1174 O GLU A 81 9.623 13.056 1.796 1.00 0.00 O ATOM 1175 CB GLU A 81 9.019 14.431 -0.873 1.00 0.00 C ATOM 1176 CG GLU A 81 9.724 15.753 -1.129 1.00 0.00 C ATOM 1177 CD GLU A 81 8.782 16.938 -1.049 1.00 0.00 C ATOM 1178 OE1 GLU A 81 8.404 17.322 0.078 1.00 0.00 O ATOM 1179 OE2 GLU A 81 8.423 17.483 -2.114 1.00 0.00 O ATOM 0 H GLU A 81 9.500 12.679 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 81 10.976 13.660 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.417 14.175 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.332 14.551 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.526 15.880 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.189 15.728 -2.115 1.00 0.00 H new ATOM 1186 N ASN A 82 8.981 11.325 0.516 1.00 0.00 N ATOM 1187 CA ASN A 82 8.491 10.543 1.653 1.00 0.00 C ATOM 1188 C ASN A 82 9.541 9.561 2.175 1.00 0.00 C ATOM 1189 O ASN A 82 9.773 9.478 3.382 1.00 0.00 O ATOM 1190 CB ASN A 82 7.209 9.773 1.290 1.00 0.00 C ATOM 1191 CG ASN A 82 6.686 10.090 -0.101 1.00 0.00 C ATOM 1192 OD1 ASN A 82 5.707 10.818 -0.257 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.343 9.542 -1.117 1.00 0.00 N ATOM 0 H ASN A 82 8.878 10.867 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 82 8.269 11.260 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.405 8.703 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.436 10.005 2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.040 9.719 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.150 8.944 -0.939 1.00 0.00 H new ATOM 1200 N LEU A 83 10.150 8.800 1.273 1.00 0.00 N ATOM 1201 CA LEU A 83 11.146 7.804 1.668 1.00 0.00 C ATOM 1202 C LEU A 83 12.385 7.821 0.770 1.00 0.00 C ATOM 1203 O LEU A 83 13.065 6.811 0.621 1.00 0.00 O ATOM 1204 CB LEU A 83 10.510 6.402 1.703 1.00 0.00 C ATOM 1205 CG LEU A 83 10.227 5.703 0.355 1.00 0.00 C ATOM 1206 CD1 LEU A 83 9.774 6.663 -0.739 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.439 4.923 -0.108 1.00 0.00 C ATOM 0 H LEU A 83 9.975 8.851 0.269 1.00 0.00 H new ATOM 0 HA LEU A 83 11.487 8.066 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.164 5.753 2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.568 6.476 2.246 1.00 0.00 H new ATOM 0 HG LEU A 83 9.398 5.019 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.593 6.107 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.855 7.161 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.550 7.409 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.218 4.438 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.282 5.602 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.690 4.166 0.635 1.00 0.00 H new ATOM 1219 N LYS A 84 12.680 8.970 0.178 1.00 0.00 N ATOM 1220 CA LYS A 84 13.841 9.109 -0.708 1.00 0.00 C ATOM 1221 C LYS A 84 15.057 8.308 -0.228 1.00 0.00 C ATOM 1222 O LYS A 84 15.530 8.479 0.896 1.00 0.00 O ATOM 1223 CB LYS A 84 14.227 10.582 -0.862 1.00 0.00 C ATOM 1224 CG LYS A 84 14.391 11.317 0.457 1.00 0.00 C ATOM 1225 CD LYS A 84 15.460 12.393 0.359 1.00 0.00 C ATOM 1226 CE LYS A 84 15.115 13.426 -0.704 1.00 0.00 C ATOM 1227 NZ LYS A 84 15.013 14.800 -0.137 1.00 0.00 N ATOM 0 H LYS A 84 12.134 9.824 0.292 1.00 0.00 H new ATOM 0 HA LYS A 84 13.541 8.701 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.161 10.646 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.465 11.087 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.442 11.769 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.656 10.608 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.571 12.886 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.420 11.933 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.876 13.412 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.170 13.158 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.777 15.472 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.269 14.822 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.922 15.067 0.291 1.00 0.00 H new ATOM 1241 N GLY A 85 15.559 7.444 -1.112 1.00 0.00 N ATOM 1242 CA GLY A 85 16.724 6.623 -0.809 1.00 0.00 C ATOM 1243 C GLY A 85 16.629 5.896 0.521 1.00 0.00 C ATOM 1244 O GLY A 85 17.521 6.011 1.360 1.00 0.00 O ATOM 0 H GLY A 85 15.173 7.297 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.858 5.890 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.612 7.255 -0.805 1.00 0.00 H new ATOM 1248 N LYS A 86 15.552 5.144 0.713 1.00 0.00 N ATOM 1249 CA LYS A 86 15.363 4.398 1.953 1.00 0.00 C ATOM 1250 C LYS A 86 15.754 2.929 1.815 1.00 0.00 C ATOM 1251 O LYS A 86 14.926 2.091 1.457 1.00 0.00 O ATOM 1252 CB LYS A 86 13.917 4.504 2.429 1.00 0.00 C ATOM 1253 CG LYS A 86 13.792 4.931 3.882 1.00 0.00 C ATOM 1254 CD LYS A 86 13.424 6.402 4.005 1.00 0.00 C ATOM 1255 CE LYS A 86 14.489 7.300 3.393 1.00 0.00 C ATOM 1256 NZ LYS A 86 15.367 7.908 4.431 1.00 0.00 N ATOM 0 H LYS A 86 14.801 5.034 0.032 1.00 0.00 H new ATOM 0 HA LYS A 86 16.025 4.848 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.386 5.219 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.427 3.539 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.034 4.323 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.734 4.747 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.469 6.581 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.292 6.658 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.097 6.721 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.009 8.090 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.079 8.512 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.791 8.482 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.845 7.155 4.966 1.00 0.00 H new ATOM 1270 N ALA A 87 17.004 2.614 2.138 1.00 0.00 N ATOM 1271 CA ALA A 87 17.476 1.236 2.089 1.00 0.00 C ATOM 1272 C ALA A 87 16.982 0.501 3.329 1.00 0.00 C ATOM 1273 O ALA A 87 17.514 0.698 4.420 1.00 0.00 O ATOM 1274 CB ALA A 87 18.996 1.195 2.009 1.00 0.00 C ATOM 0 H ALA A 87 17.706 3.292 2.435 1.00 0.00 H new ATOM 0 HA ALA A 87 17.083 0.747 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.331 0.158 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.327 1.714 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.420 1.683 2.887 1.00 0.00 H new ATOM 1280 N ALA A 88 15.930 -0.303 3.179 1.00 0.00 N ATOM 1281 CA ALA A 88 15.356 -0.994 4.328 1.00 0.00 C ATOM 1282 C ALA A 88 14.966 -2.443 4.049 1.00 0.00 C ATOM 1283 O ALA A 88 15.216 -2.995 2.980 1.00 0.00 O ATOM 1284 CB ALA A 88 14.138 -0.217 4.813 1.00 0.00 C ATOM 0 H ALA A 88 15.466 -0.489 2.290 1.00 0.00 H new ATOM 0 HA ALA A 88 16.131 -1.034 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.701 -0.725 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.440 0.790 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.401 -0.159 4.012 1.00 0.00 H new ATOM 1290 N LYS A 89 14.315 -3.021 5.051 1.00 0.00 N ATOM 1291 CA LYS A 89 13.814 -4.386 5.006 1.00 0.00 C ATOM 1292 C LYS A 89 12.329 -4.345 5.323 1.00 0.00 C ATOM 1293 O LYS A 89 11.923 -3.621 6.228 1.00 0.00 O ATOM 1294 CB LYS A 89 14.554 -5.267 6.017 1.00 0.00 C ATOM 1295 CG LYS A 89 15.832 -5.882 5.470 1.00 0.00 C ATOM 1296 CD LYS A 89 16.994 -4.902 5.525 1.00 0.00 C ATOM 1297 CE LYS A 89 17.707 -4.956 6.867 1.00 0.00 C ATOM 1298 NZ LYS A 89 17.127 -3.995 7.848 1.00 0.00 N ATOM 0 H LYS A 89 14.118 -2.545 5.931 1.00 0.00 H new ATOM 0 HA LYS A 89 13.979 -4.815 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.796 -4.671 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.889 -6.065 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.081 -6.775 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.672 -6.199 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.701 -5.129 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.627 -3.891 5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.645 -5.967 7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.765 -4.734 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.869 -3.681 8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.742 -3.172 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.366 -4.461 8.382 1.00 0.00 H new ATOM 1312 N PHE A 90 11.523 -5.135 4.622 1.00 0.00 N ATOM 1313 CA PHE A 90 10.080 -5.172 4.888 1.00 0.00 C ATOM 1314 C PHE A 90 9.539 -6.589 4.897 1.00 0.00 C ATOM 1315 O PHE A 90 10.050 -7.462 4.197 1.00 0.00 O ATOM 1316 CB PHE A 90 9.275 -4.436 3.809 1.00 0.00 C ATOM 1317 CG PHE A 90 9.495 -2.959 3.684 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.266 -2.252 4.583 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.891 -2.281 2.647 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.438 -0.887 4.448 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.051 -0.915 2.503 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.828 -0.217 3.406 1.00 0.00 C ATOM 0 H PHE A 90 11.834 -5.753 3.873 1.00 0.00 H new ATOM 0 HA PHE A 90 9.967 -4.696 5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.501 -4.895 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.216 -4.605 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.741 -2.771 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.285 -2.824 1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.048 -0.346 5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.570 -0.396 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.958 0.850 3.298 1.00 0.00 H new ATOM 1332 N ALA A 91 8.452 -6.792 5.631 1.00 0.00 N ATOM 1333 CA ALA A 91 7.773 -8.072 5.671 1.00 0.00 C ATOM 1334 C ALA A 91 6.345 -7.763 5.266 1.00 0.00 C ATOM 1335 O ALA A 91 5.591 -7.131 6.008 1.00 0.00 O ATOM 1336 CB ALA A 91 7.837 -8.694 7.059 1.00 0.00 C ATOM 0 H ALA A 91 8.021 -6.073 6.212 1.00 0.00 H new ATOM 0 HA ALA A 91 8.237 -8.802 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.318 -9.652 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.879 -8.847 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.360 -8.028 7.778 1.00 0.00 H new ATOM 1342 N ILE A 92 6.032 -8.105 4.030 1.00 0.00 N ATOM 1343 CA ILE A 92 4.752 -7.756 3.439 1.00 0.00 C ATOM 1344 C ILE A 92 3.748 -8.896 3.320 1.00 0.00 C ATOM 1345 O ILE A 92 4.093 -10.073 3.344 1.00 0.00 O ATOM 1346 CB ILE A 92 4.997 -7.196 2.027 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.132 -6.160 2.047 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.718 -6.624 1.449 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.206 -5.289 0.813 1.00 0.00 C ATOM 0 H ILE A 92 6.652 -8.628 3.411 1.00 0.00 H new ATOM 0 HA ILE A 92 4.309 -7.031 4.122 1.00 0.00 H new ATOM 0 HB ILE A 92 5.311 -8.012 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.008 -5.521 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.082 -6.682 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.913 -6.233 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.963 -7.408 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.357 -5.819 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.034 -4.588 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.363 -5.915 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.273 -4.736 0.702 1.00 0.00 H new ATOM 1361 N ASN A 93 2.492 -8.490 3.134 1.00 0.00 N ATOM 1362 CA ASN A 93 1.381 -9.405 2.940 1.00 0.00 C ATOM 1363 C ASN A 93 0.508 -8.885 1.790 1.00 0.00 C ATOM 1364 O ASN A 93 -0.231 -7.915 1.956 1.00 0.00 O ATOM 1365 CB ASN A 93 0.558 -9.536 4.223 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.678 -10.399 4.044 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.831 -11.084 3.034 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.568 -10.367 5.029 1.00 0.00 N ATOM 0 H ASN A 93 2.221 -7.507 3.115 1.00 0.00 H new ATOM 0 HA ASN A 93 1.764 -10.395 2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.183 -9.962 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.257 -8.544 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.419 -10.925 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.400 -9.784 5.849 1.00 0.00 H new ATOM 1375 N LEU A 94 0.622 -9.516 0.624 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.133 -9.097 -0.558 1.00 0.00 C ATOM 1377 C LEU A 94 -1.630 -9.311 -0.382 1.00 0.00 C ATOM 1378 O LEU A 94 -2.055 -10.111 0.448 1.00 0.00 O ATOM 1379 CB LEU A 94 0.360 -9.857 -1.792 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.182 -9.362 -3.136 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.454 -8.031 -3.513 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.072 -10.397 -4.219 1.00 0.00 C ATOM 0 H LEU A 94 1.230 -10.320 0.470 1.00 0.00 H new ATOM 0 HA LEU A 94 0.035 -8.029 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.448 -9.804 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.095 -10.908 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.258 -9.213 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.056 -7.696 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.228 -7.290 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.534 -8.153 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.318 -10.033 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.144 -10.573 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.427 -11.329 -3.955 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.428 -8.598 -1.178 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.876 -8.728 -1.113 1.00 0.00 C ATOM 1396 C LYS A 95 -4.525 -8.424 -2.469 1.00 0.00 C ATOM 1397 O LYS A 95 -4.471 -9.245 -3.383 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.450 -7.824 -0.015 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.334 -8.412 1.380 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.597 -8.164 2.191 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.729 -9.155 3.334 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.702 -8.690 4.362 1.00 0.00 N ATOM 0 H LYS A 95 -2.094 -7.928 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.109 -9.763 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.934 -6.864 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.500 -7.627 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.148 -9.484 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.478 -7.972 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.582 -7.149 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.469 -8.239 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.048 -10.121 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.754 -9.306 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.764 -9.394 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.384 -7.781 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.638 -8.570 3.925 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.177 -7.270 -2.590 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.863 -6.926 -3.824 1.00 0.00 C ATOM 1418 C LYS A 96 -4.901 -6.581 -4.951 1.00 0.00 C ATOM 1419 O LYS A 96 -4.356 -5.479 -5.005 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.819 -5.757 -3.590 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.130 -6.168 -2.941 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.794 -4.997 -2.242 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.657 -4.196 -3.202 1.00 0.00 C ATOM 1424 NZ LYS A 96 -8.842 -3.287 -4.054 1.00 0.00 N ATOM 0 H LYS A 96 -5.242 -6.566 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.423 -7.809 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.327 -5.016 -2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.030 -5.274 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.802 -6.570 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.947 -6.966 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.407 -5.363 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.031 -4.350 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.223 -4.878 -3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.382 -3.611 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.408 -2.454 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.999 -2.982 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.549 -3.789 -4.916 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.728 -7.525 -5.871 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.871 -7.336 -7.032 1.00 0.00 C ATOM 1440 C VAL A 97 -4.734 -7.278 -8.290 1.00 0.00 C ATOM 1441 O VAL A 97 -5.314 -8.283 -8.699 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.836 -8.479 -7.155 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.489 -9.838 -6.926 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.122 -8.441 -8.507 1.00 0.00 C ATOM 0 H VAL A 97 -5.178 -8.440 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.325 -6.400 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.087 -8.328 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.738 -10.623 -7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.925 -9.869 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.272 -9.995 -7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.402 -9.257 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.853 -8.549 -9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.601 -7.490 -8.617 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.840 -6.093 -8.885 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.661 -5.914 -10.078 1.00 0.00 C ATOM 1456 C GLU A 98 -4.909 -5.141 -11.169 1.00 0.00 C ATOM 1457 O GLU A 98 -3.762 -4.747 -10.976 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.949 -5.184 -9.698 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.700 -5.822 -8.539 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.187 -4.799 -7.531 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.408 -4.444 -6.621 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.345 -4.349 -7.655 1.00 0.00 O ATOM 0 H GLU A 98 -4.370 -5.247 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.901 -6.897 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.708 -4.153 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.605 -5.148 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.552 -6.381 -8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.049 -6.539 -8.039 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.559 -4.942 -12.320 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.942 -4.233 -13.448 1.00 0.00 C ATOM 1471 C GLU A 99 -5.385 -2.777 -13.530 1.00 0.00 C ATOM 1472 O GLU A 99 -6.290 -2.432 -14.287 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.269 -4.942 -14.763 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.223 -4.730 -15.849 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.758 -3.950 -17.035 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.943 -4.139 -17.383 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -3.993 -3.153 -17.615 1.00 0.00 O ATOM 0 H GLU A 99 -6.512 -5.261 -12.496 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.865 -4.243 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.372 -6.010 -14.574 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.234 -4.588 -15.126 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.369 -4.200 -15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.859 -5.699 -16.191 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.718 -1.923 -12.764 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.023 -0.497 -12.749 1.00 0.00 C ATOM 1486 C ARG A 100 -4.762 0.146 -14.109 1.00 0.00 C ATOM 1487 O ARG A 100 -3.922 -0.319 -14.879 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.179 0.198 -11.688 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.697 0.232 -12.030 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.183 1.656 -12.162 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.836 1.695 -12.727 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.432 2.583 -13.634 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.251 3.540 -14.053 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.802 2.519 -14.117 1.00 0.00 N ATOM 0 H ARG A 100 -3.957 -2.195 -12.141 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.082 -0.383 -12.517 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.539 1.219 -11.558 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.314 -0.312 -10.734 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.133 -0.288 -11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.527 -0.304 -12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.860 2.230 -12.795 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.181 2.134 -11.182 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.163 0.999 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.199 3.600 -13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.933 4.216 -14.748 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.439 1.791 -13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.114 3.198 -14.812 1.00 0.00 H new ATOM 1508 N GLU A 101 -5.482 1.228 -14.387 1.00 0.00 N ATOM 1509 CA GLU A 101 -5.325 1.951 -15.642 1.00 0.00 C ATOM 1510 C GLU A 101 -6.175 3.217 -15.642 1.00 0.00 C ATOM 1511 O GLU A 101 -7.267 3.244 -16.207 1.00 0.00 O ATOM 1512 CB GLU A 101 -5.713 1.062 -16.826 1.00 0.00 C ATOM 1513 CG GLU A 101 -5.174 1.560 -18.158 1.00 0.00 C ATOM 1514 CD GLU A 101 -4.066 0.683 -18.707 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -2.891 0.919 -18.355 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -4.372 -0.242 -19.488 1.00 0.00 O ATOM 0 H GLU A 101 -6.181 1.623 -13.758 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.277 2.233 -15.742 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.344 0.052 -16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.800 0.999 -16.883 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.989 1.604 -18.881 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.800 2.577 -18.037 1.00 0.00 H new ATOM 1523 N LEU A 102 -5.662 4.262 -15.002 1.00 0.00 N ATOM 1524 CA LEU A 102 -6.369 5.533 -14.922 1.00 0.00 C ATOM 1525 C LEU A 102 -6.290 6.285 -16.247 1.00 0.00 C ATOM 1526 O LEU A 102 -5.388 6.052 -17.050 1.00 0.00 O ATOM 1527 CB LEU A 102 -5.779 6.388 -13.800 1.00 0.00 C ATOM 1528 CG LEU A 102 -6.224 6.005 -12.385 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -6.117 4.501 -12.168 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -5.394 6.748 -11.354 1.00 0.00 C ATOM 0 H LEU A 102 -4.758 4.253 -14.531 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.418 5.329 -14.706 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.692 6.326 -13.851 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.048 7.429 -13.979 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.269 6.290 -12.268 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.439 4.256 -11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.753 3.984 -12.886 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.083 4.186 -12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.720 6.467 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.342 6.490 -11.479 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.522 7.822 -11.489 1.00 0.00 H new ATOM 1542 N PRO A 103 -7.240 7.204 -16.492 1.00 0.00 N ATOM 1543 CA PRO A 103 -7.278 7.992 -17.726 1.00 0.00 C ATOM 1544 C PRO A 103 -6.239 9.109 -17.732 1.00 0.00 C ATOM 1545 O PRO A 103 -6.350 10.077 -16.981 1.00 0.00 O ATOM 1546 CB PRO A 103 -8.690 8.573 -17.724 1.00 0.00 C ATOM 1547 CG PRO A 103 -9.049 8.684 -16.282 1.00 0.00 C ATOM 1548 CD PRO A 103 -8.354 7.544 -15.584 1.00 0.00 C ATOM 0 HA PRO A 103 -7.050 7.390 -18.606 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.719 9.545 -18.216 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.386 7.925 -18.257 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.729 9.643 -15.874 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.129 8.624 -16.144 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.992 7.839 -14.599 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -9.024 6.697 -15.437 1.00 0.00 H new ATOM 1556 N GLU A 104 -5.228 8.965 -18.583 1.00 0.00 N ATOM 1557 CA GLU A 104 -4.169 9.961 -18.685 1.00 0.00 C ATOM 1558 C GLU A 104 -4.679 11.230 -19.363 1.00 0.00 C ATOM 1559 O GLU A 104 -4.570 12.327 -18.813 1.00 0.00 O ATOM 1560 CB GLU A 104 -2.980 9.390 -19.463 1.00 0.00 C ATOM 1561 CG GLU A 104 -1.686 9.373 -18.669 1.00 0.00 C ATOM 1562 CD GLU A 104 -1.766 8.492 -17.438 1.00 0.00 C ATOM 1563 OE1 GLU A 104 -1.721 7.252 -17.592 1.00 0.00 O ATOM 1564 OE2 GLU A 104 -1.874 9.041 -16.321 1.00 0.00 O ATOM 0 H GLU A 104 -5.120 8.169 -19.211 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.844 10.218 -17.677 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.217 8.374 -19.778 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.833 9.978 -20.369 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.876 9.023 -19.309 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.436 10.390 -18.367 1.00 0.00 H new ATOM 1571 N LEU A 105 -5.235 11.071 -20.559 1.00 0.00 N ATOM 1572 CA LEU A 105 -5.763 12.202 -21.314 1.00 0.00 C ATOM 1573 C LEU A 105 -7.276 12.305 -21.151 1.00 0.00 C ATOM 1574 O LEU A 105 -8.031 11.600 -21.821 1.00 0.00 O ATOM 1575 CB LEU A 105 -5.407 12.060 -22.795 1.00 0.00 C ATOM 1576 CG LEU A 105 -4.073 12.693 -23.201 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -3.306 11.767 -24.134 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -4.303 14.046 -23.858 1.00 0.00 C ATOM 0 H LEU A 105 -5.332 10.170 -21.027 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.311 13.113 -20.923 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.381 11.000 -23.047 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.202 12.510 -23.390 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.476 12.846 -22.302 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.361 12.233 -24.412 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.110 10.822 -23.628 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.898 11.582 -25.031 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.344 14.481 -24.140 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.919 13.918 -24.748 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.810 14.709 -23.157 1.00 0.00 H new ATOM 1590 N THR A 106 -7.710 13.186 -20.257 1.00 0.00 N ATOM 1591 CA THR A 106 -9.134 13.378 -20.006 1.00 0.00 C ATOM 1592 C THR A 106 -9.701 14.480 -20.895 1.00 0.00 C ATOM 1593 O THR A 106 -8.900 15.196 -21.531 1.00 0.00 O ATOM 1594 CB THR A 106 -9.372 13.722 -18.534 1.00 0.00 C ATOM 1595 OG1 THR A 106 -8.823 14.997 -18.225 1.00 0.00 O ATOM 1596 CG2 THR A 106 -8.779 12.701 -17.582 1.00 0.00 C ATOM 1597 OXT THR A 106 -10.941 14.614 -20.948 1.00 0.00 O ATOM 0 H THR A 106 -7.098 13.778 -19.695 1.00 0.00 H new ATOM 0 HA THR A 106 -9.647 12.446 -20.243 1.00 0.00 H new ATOM 0 HB THR A 106 -10.454 13.724 -18.398 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.985 15.203 -17.281 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.981 13.002 -16.554 1.00 0.00 H new ATOM 0 HG22 THR A 106 -9.227 11.725 -17.770 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.702 12.641 -17.737 1.00 0.00 H new TER 1605 THR A 106