USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 677 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 4 THR OG1 : rot -86:sc= 1.65 USER MOD Set 1.2: A 7 THR OG1 : rot 86:sc= 0.571 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.602 (180deg=-0.221!) USER MOD Single : A 2 GLN : amide:sc= -0.696 K(o=-0.7,f=-0.18) USER MOD Single : A 3 TYR OH : rot 30:sc= -0.396 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 12:sc= -2.53! USER MOD Single : A 15 SER OG : rot 180:sc= -0.444 USER MOD Single : A 19 SER OG : rot 180:sc= -0.158 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 68:sc= 0.268 USER MOD Single : A 31 MET CE :methyl -111:sc=-0.00525 (180deg=-0.16) USER MOD Single : A 35 SER OG : rot 130:sc= 0.0363! USER MOD Single : A 36 SER OG : rot 150:sc= -0.447 USER MOD Single : A 38 ASN : amide:sc= -0.0881 K(o=-0.088,f=-2.9!) USER MOD Single : A 50 HIS : no HE2:sc= -2.96 X(o=-3,f=-3.1) USER MOD Single : A 53 THR OG1 : rot -160:sc= 0.425 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.123 USER MOD Single : A 78 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 80 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-2.4!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-4.4!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.323 -17.343 -9.804 1.00 0.00 N ATOM 2 CA MET A 1 -19.385 -17.566 -8.667 1.00 0.00 C ATOM 3 C MET A 1 -17.948 -17.508 -9.178 1.00 0.00 C ATOM 4 O MET A 1 -17.049 -18.111 -8.593 1.00 0.00 O ATOM 5 CB MET A 1 -19.661 -18.938 -8.043 1.00 0.00 C ATOM 6 CG MET A 1 -21.092 -18.983 -7.498 1.00 0.00 C ATOM 7 SD MET A 1 -22.245 -19.284 -8.859 1.00 0.00 S ATOM 8 CE MET A 1 -23.751 -19.383 -7.863 1.00 0.00 C ATOM 0 H1 MET A 1 -21.265 -17.707 -9.554 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.388 -16.325 -10.006 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.972 -17.842 -10.646 1.00 0.00 H new ATOM 0 HA MET A 1 -19.529 -16.793 -7.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.521 -19.721 -8.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.950 -19.132 -7.240 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.183 -19.770 -6.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.334 -18.042 -7.003 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.606 -19.568 -8.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.659 -20.197 -7.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.897 -18.443 -7.330 1.00 0.00 H new ATOM 20 N GLN A 2 -17.740 -16.782 -10.274 1.00 0.00 N ATOM 21 CA GLN A 2 -16.407 -16.659 -10.853 1.00 0.00 C ATOM 22 C GLN A 2 -15.461 -15.973 -9.876 1.00 0.00 C ATOM 23 O GLN A 2 -14.324 -16.406 -9.692 1.00 0.00 O ATOM 24 CB GLN A 2 -16.482 -15.863 -12.163 1.00 0.00 C ATOM 25 CG GLN A 2 -15.072 -15.611 -12.713 1.00 0.00 C ATOM 26 CD GLN A 2 -14.325 -16.929 -12.882 1.00 0.00 C ATOM 27 OE1 GLN A 2 -14.729 -17.781 -13.675 1.00 0.00 O ATOM 28 NE2 GLN A 2 -13.252 -17.151 -12.171 1.00 0.00 N ATOM 0 H GLN A 2 -18.470 -16.275 -10.774 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.021 -17.657 -11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -17.073 -16.411 -12.896 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -16.988 -14.913 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.135 -15.096 -13.671 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.522 -14.958 -12.036 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.919 -16.444 -11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.747 -18.031 -12.272 1.00 0.00 H new ATOM 37 N TYR A 3 -15.939 -14.903 -9.252 1.00 0.00 N ATOM 38 CA TYR A 3 -15.132 -14.154 -8.286 1.00 0.00 C ATOM 39 C TYR A 3 -15.613 -14.446 -6.871 1.00 0.00 C ATOM 40 O TYR A 3 -16.815 -14.499 -6.615 1.00 0.00 O ATOM 41 CB TYR A 3 -15.244 -12.656 -8.575 1.00 0.00 C ATOM 42 CG TYR A 3 -14.664 -12.373 -9.940 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.462 -12.521 -11.079 1.00 0.00 C ATOM 44 CD2 TYR A 3 -13.326 -11.981 -10.070 1.00 0.00 C ATOM 45 CE1 TYR A 3 -14.926 -12.272 -12.347 1.00 0.00 C ATOM 46 CE2 TYR A 3 -12.792 -11.736 -11.336 1.00 0.00 C ATOM 47 CZ TYR A 3 -13.590 -11.880 -12.476 1.00 0.00 C ATOM 48 OH TYR A 3 -13.060 -11.637 -13.727 1.00 0.00 O ATOM 0 H TYR A 3 -16.878 -14.532 -9.394 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.090 -14.460 -8.376 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.287 -12.342 -8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -14.712 -12.085 -7.814 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.493 -12.828 -10.980 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -12.708 -11.868 -9.192 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -15.544 -12.382 -13.226 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.760 -11.434 -11.436 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.767 -11.315 -14.325 1.00 0.00 H new ATOM 58 N THR A 4 -14.668 -14.645 -5.956 1.00 0.00 N ATOM 59 CA THR A 4 -15.004 -14.945 -4.559 1.00 0.00 C ATOM 60 C THR A 4 -14.148 -14.086 -3.622 1.00 0.00 C ATOM 61 O THR A 4 -13.093 -13.591 -4.018 1.00 0.00 O ATOM 62 CB THR A 4 -14.772 -16.452 -4.266 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.709 -16.600 -3.334 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.416 -17.200 -5.555 1.00 0.00 C ATOM 0 H THR A 4 -13.668 -14.605 -6.151 1.00 0.00 H new ATOM 0 HA THR A 4 -16.056 -14.714 -4.389 1.00 0.00 H new ATOM 0 HB THR A 4 -15.690 -16.870 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.854 -16.609 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.257 -18.255 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.232 -17.100 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.506 -16.778 -5.981 1.00 0.00 H new ATOM 72 N PRO A 5 -14.581 -13.900 -2.401 1.00 0.00 N ATOM 73 CA PRO A 5 -13.837 -13.076 -1.401 1.00 0.00 C ATOM 74 C PRO A 5 -12.508 -13.712 -0.997 1.00 0.00 C ATOM 75 O PRO A 5 -11.623 -13.030 -0.482 1.00 0.00 O ATOM 76 CB PRO A 5 -14.805 -12.985 -0.208 1.00 0.00 C ATOM 77 CG PRO A 5 -15.685 -14.187 -0.335 1.00 0.00 C ATOM 78 CD PRO A 5 -15.822 -14.453 -1.834 1.00 0.00 C ATOM 0 HA PRO A 5 -13.561 -12.100 -1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.266 -12.988 0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.387 -12.064 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.249 -15.046 0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.659 -14.007 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.919 -15.518 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.704 -13.965 -2.248 1.00 0.00 H new ATOM 86 N ASP A 6 -12.368 -15.017 -1.234 1.00 0.00 N ATOM 87 CA ASP A 6 -11.132 -15.722 -0.892 1.00 0.00 C ATOM 88 C ASP A 6 -10.740 -16.665 -2.021 1.00 0.00 C ATOM 89 O ASP A 6 -11.179 -17.814 -2.061 1.00 0.00 O ATOM 90 CB ASP A 6 -11.336 -16.526 0.393 1.00 0.00 C ATOM 91 CG ASP A 6 -11.452 -15.579 1.582 1.00 0.00 C ATOM 92 OD1 ASP A 6 -11.120 -14.416 1.424 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.871 -16.032 2.635 1.00 0.00 O ATOM 0 H ASP A 6 -13.088 -15.603 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.338 -14.991 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.236 -17.135 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.500 -17.210 0.541 1.00 0.00 H new ATOM 98 N THR A 7 -9.908 -16.178 -2.937 1.00 0.00 N ATOM 99 CA THR A 7 -9.465 -16.993 -4.066 1.00 0.00 C ATOM 100 C THR A 7 -7.991 -16.724 -4.358 1.00 0.00 C ATOM 101 O THR A 7 -7.576 -15.571 -4.463 1.00 0.00 O ATOM 102 CB THR A 7 -10.329 -16.657 -5.300 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.571 -16.134 -4.857 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.598 -17.915 -6.130 1.00 0.00 C ATOM 0 H THR A 7 -9.529 -15.231 -2.922 1.00 0.00 H new ATOM 0 HA THR A 7 -9.579 -18.050 -3.824 1.00 0.00 H new ATOM 0 HB THR A 7 -9.798 -15.932 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.487 -15.168 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.209 -17.656 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.652 -18.338 -6.467 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.126 -18.648 -5.519 1.00 0.00 H new ATOM 112 N ALA A 8 -7.211 -17.787 -4.510 1.00 0.00 N ATOM 113 CA ALA A 8 -5.787 -17.643 -4.814 1.00 0.00 C ATOM 114 C ALA A 8 -5.588 -17.702 -6.320 1.00 0.00 C ATOM 115 O ALA A 8 -5.631 -18.776 -6.918 1.00 0.00 O ATOM 116 CB ALA A 8 -4.993 -18.767 -4.146 1.00 0.00 C ATOM 0 H ALA A 8 -7.534 -18.751 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.432 -16.685 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.934 -18.652 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.135 -18.721 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.343 -19.730 -4.517 1.00 0.00 H new ATOM 122 N TRP A 9 -5.392 -16.538 -6.938 1.00 0.00 N ATOM 123 CA TRP A 9 -5.209 -16.470 -8.391 1.00 0.00 C ATOM 124 C TRP A 9 -3.732 -16.308 -8.728 1.00 0.00 C ATOM 125 O TRP A 9 -3.044 -15.461 -8.156 1.00 0.00 O ATOM 126 CB TRP A 9 -6.002 -15.282 -8.969 1.00 0.00 C ATOM 127 CG TRP A 9 -7.455 -15.639 -9.115 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.086 -16.631 -8.448 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.464 -15.028 -9.975 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.407 -16.670 -8.840 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.691 -15.702 -9.777 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.437 -13.964 -10.896 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.847 -15.341 -10.466 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.597 -13.593 -11.595 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.803 -14.281 -11.378 1.00 0.00 C ATOM 0 H TRP A 9 -5.356 -15.636 -6.463 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.577 -17.397 -8.831 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.898 -14.416 -8.316 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.591 -15.001 -9.939 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.628 -17.288 -7.724 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.091 -17.335 -8.480 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.515 -13.428 -11.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.770 -15.876 -10.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.562 -12.777 -12.301 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.695 -13.992 -11.915 1.00 0.00 H new ATOM 146 N LYS A 10 -3.252 -17.119 -9.667 1.00 0.00 N ATOM 147 CA LYS A 10 -1.856 -17.048 -10.084 1.00 0.00 C ATOM 148 C LYS A 10 -1.707 -16.007 -11.183 1.00 0.00 C ATOM 149 O LYS A 10 -2.529 -15.946 -12.088 1.00 0.00 O ATOM 150 CB LYS A 10 -1.389 -18.420 -10.597 1.00 0.00 C ATOM 151 CG LYS A 10 0.126 -18.565 -10.406 1.00 0.00 C ATOM 152 CD LYS A 10 0.560 -19.979 -10.788 1.00 0.00 C ATOM 153 CE LYS A 10 2.054 -20.133 -10.516 1.00 0.00 C ATOM 154 NZ LYS A 10 2.483 -21.518 -10.850 1.00 0.00 N ATOM 0 H LYS A 10 -3.805 -17.827 -10.150 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.241 -16.764 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.909 -19.214 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.643 -18.529 -11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.651 -17.834 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.393 -18.360 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.005 -20.714 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.348 -20.166 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.618 -19.414 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.267 -19.918 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.501 -21.620 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.954 -22.196 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.294 -21.707 -11.855 1.00 0.00 H new ATOM 168 N ILE A 11 -0.664 -15.188 -11.095 1.00 0.00 N ATOM 169 CA ILE A 11 -0.431 -14.146 -12.093 1.00 0.00 C ATOM 170 C ILE A 11 0.483 -14.667 -13.192 1.00 0.00 C ATOM 171 O ILE A 11 1.630 -15.028 -12.932 1.00 0.00 O ATOM 172 CB ILE A 11 0.224 -12.928 -11.424 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.518 -12.583 -10.132 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.159 -11.720 -12.365 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.248 -11.494 -9.377 1.00 0.00 C ATOM 0 H ILE A 11 0.030 -15.223 -10.349 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.387 -13.857 -12.529 1.00 0.00 H new ATOM 0 HB ILE A 11 1.263 -13.169 -11.201 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.527 -12.240 -10.360 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.616 -13.472 -9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.625 -10.859 -11.885 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.688 -11.950 -13.290 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.882 -11.490 -12.590 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.281 -11.249 -8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.248 -11.854 -9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.323 -10.603 -10.001 1.00 0.00 H new ATOM 187 N THR A 12 -0.026 -14.709 -14.426 1.00 0.00 N ATOM 188 CA THR A 12 0.771 -15.194 -15.557 1.00 0.00 C ATOM 189 C THR A 12 1.242 -14.023 -16.411 1.00 0.00 C ATOM 190 O THR A 12 2.326 -14.066 -16.996 1.00 0.00 O ATOM 191 CB THR A 12 -0.067 -16.151 -16.410 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.352 -15.590 -16.612 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.202 -17.497 -15.693 1.00 0.00 C ATOM 0 H THR A 12 -0.973 -14.417 -14.666 1.00 0.00 H new ATOM 0 HA THR A 12 1.643 -15.723 -15.171 1.00 0.00 H new ATOM 0 HB THR A 12 0.421 -16.305 -17.372 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.346 -14.650 -16.334 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.799 -18.176 -16.302 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.788 -17.926 -15.535 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.691 -17.349 -14.730 1.00 0.00 H new ATOM 201 N GLY A 13 0.425 -12.973 -16.472 1.00 0.00 N ATOM 202 CA GLY A 13 0.766 -11.785 -17.250 1.00 0.00 C ATOM 203 C GLY A 13 -0.482 -11.081 -17.764 1.00 0.00 C ATOM 204 O GLY A 13 -1.598 -11.570 -17.598 1.00 0.00 O ATOM 0 H GLY A 13 -0.474 -12.921 -15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.345 -11.098 -16.633 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.398 -12.068 -18.091 1.00 0.00 H new ATOM 208 N PHE A 14 -0.280 -9.926 -18.387 1.00 0.00 N ATOM 209 CA PHE A 14 -1.392 -9.148 -18.926 1.00 0.00 C ATOM 210 C PHE A 14 -1.675 -9.557 -20.373 1.00 0.00 C ATOM 211 O PHE A 14 -0.786 -10.031 -21.079 1.00 0.00 O ATOM 212 CB PHE A 14 -1.057 -7.656 -18.857 1.00 0.00 C ATOM 213 CG PHE A 14 0.400 -7.455 -19.184 1.00 0.00 C ATOM 214 CD1 PHE A 14 0.801 -7.275 -20.509 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.347 -7.437 -18.157 1.00 0.00 C ATOM 216 CE1 PHE A 14 2.152 -7.072 -20.809 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.699 -7.238 -18.453 1.00 0.00 C ATOM 218 CZ PHE A 14 3.103 -7.053 -19.781 1.00 0.00 C ATOM 0 H PHE A 14 0.639 -9.508 -18.532 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.284 -9.344 -18.330 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.679 -7.100 -19.558 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.275 -7.269 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.068 -7.292 -21.302 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.034 -7.577 -17.133 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.462 -6.930 -21.834 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.431 -7.227 -17.659 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.146 -6.896 -20.012 1.00 0.00 H new ATOM 228 N SER A 15 -2.919 -9.372 -20.803 1.00 0.00 N ATOM 229 CA SER A 15 -3.314 -9.724 -22.167 1.00 0.00 C ATOM 230 C SER A 15 -2.903 -8.630 -23.145 1.00 0.00 C ATOM 231 O SER A 15 -2.518 -7.539 -22.741 1.00 0.00 O ATOM 232 CB SER A 15 -4.830 -9.924 -22.237 1.00 0.00 C ATOM 233 OG SER A 15 -5.288 -9.614 -23.545 1.00 0.00 O ATOM 0 H SER A 15 -3.669 -8.983 -20.232 1.00 0.00 H new ATOM 0 HA SER A 15 -2.810 -10.651 -22.441 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.084 -10.954 -21.986 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.326 -9.286 -21.506 1.00 0.00 H new ATOM 0 HG SER A 15 -6.258 -9.743 -23.591 1.00 0.00 H new ATOM 239 N ARG A 16 -2.987 -8.932 -24.435 1.00 0.00 N ATOM 240 CA ARG A 16 -2.626 -7.957 -25.457 1.00 0.00 C ATOM 241 C ARG A 16 -3.625 -6.803 -25.485 1.00 0.00 C ATOM 242 O ARG A 16 -3.245 -5.643 -25.641 1.00 0.00 O ATOM 243 CB ARG A 16 -2.588 -8.629 -26.828 1.00 0.00 C ATOM 244 CG ARG A 16 -1.379 -9.558 -26.906 1.00 0.00 C ATOM 245 CD ARG A 16 -1.402 -10.309 -28.236 1.00 0.00 C ATOM 246 NE ARG A 16 -1.298 -9.367 -29.347 1.00 0.00 N ATOM 247 CZ ARG A 16 -0.118 -8.940 -29.784 1.00 0.00 C ATOM 248 NH1 ARG A 16 0.980 -9.357 -29.214 1.00 0.00 N ATOM 249 NH2 ARG A 16 -0.055 -8.104 -30.783 1.00 0.00 N ATOM 0 H ARG A 16 -3.298 -9.834 -24.796 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.640 -7.560 -25.215 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.505 -9.194 -26.994 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.532 -7.875 -27.613 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.458 -8.982 -26.817 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.395 -10.265 -26.076 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.578 -11.021 -28.275 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.324 -10.884 -28.322 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.149 -9.030 -29.797 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.932 -10.011 -28.433 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.885 -9.029 -29.550 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.912 -7.777 -31.230 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.851 -7.777 -31.118 1.00 0.00 H new ATOM 263 N GLU A 17 -4.905 -7.133 -25.341 1.00 0.00 N ATOM 264 CA GLU A 17 -5.956 -6.121 -25.359 1.00 0.00 C ATOM 265 C GLU A 17 -5.794 -5.164 -24.181 1.00 0.00 C ATOM 266 O GLU A 17 -6.361 -4.070 -24.171 1.00 0.00 O ATOM 267 CB GLU A 17 -7.331 -6.795 -25.293 1.00 0.00 C ATOM 268 CG GLU A 17 -8.416 -5.812 -25.745 1.00 0.00 C ATOM 269 CD GLU A 17 -8.309 -5.574 -27.248 1.00 0.00 C ATOM 270 OE1 GLU A 17 -7.527 -6.264 -27.882 1.00 0.00 O ATOM 271 OE2 GLU A 17 -9.008 -4.706 -27.742 1.00 0.00 O ATOM 0 H GLU A 17 -5.238 -8.088 -25.211 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.877 -5.553 -26.286 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.343 -7.680 -25.929 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.533 -7.130 -24.276 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.402 -6.207 -25.500 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.309 -4.868 -25.210 1.00 0.00 H new ATOM 278 N ILE A 18 -5.018 -5.586 -23.187 1.00 0.00 N ATOM 279 CA ILE A 18 -4.785 -4.765 -22.002 1.00 0.00 C ATOM 280 C ILE A 18 -4.565 -3.304 -22.395 1.00 0.00 C ATOM 281 O ILE A 18 -4.019 -3.017 -23.460 1.00 0.00 O ATOM 282 CB ILE A 18 -3.560 -5.286 -21.242 1.00 0.00 C ATOM 283 CG1 ILE A 18 -3.460 -4.604 -19.873 1.00 0.00 C ATOM 284 CG2 ILE A 18 -2.292 -4.982 -22.044 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.639 -5.013 -18.974 1.00 0.00 C ATOM 0 H ILE A 18 -4.541 -6.488 -23.178 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.664 -4.825 -21.360 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.663 -6.362 -21.104 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.520 -4.876 -19.394 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.452 -3.521 -20.000 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.422 -5.353 -21.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.350 -5.471 -23.016 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.200 -3.905 -22.185 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.548 -4.518 -18.007 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.576 -4.718 -19.446 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.629 -6.093 -18.830 1.00 0.00 H new ATOM 297 N SER A 19 -4.993 -2.391 -21.532 1.00 0.00 N ATOM 298 CA SER A 19 -4.838 -0.969 -21.808 1.00 0.00 C ATOM 299 C SER A 19 -3.386 -0.538 -21.582 1.00 0.00 C ATOM 300 O SER A 19 -2.656 -1.168 -20.817 1.00 0.00 O ATOM 301 CB SER A 19 -5.774 -0.161 -20.895 1.00 0.00 C ATOM 302 OG SER A 19 -5.114 1.021 -20.455 1.00 0.00 O ATOM 0 H SER A 19 -5.446 -2.607 -20.644 1.00 0.00 H new ATOM 0 HA SER A 19 -5.098 -0.780 -22.849 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.686 0.099 -21.432 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.070 -0.764 -20.037 1.00 0.00 H new ATOM 0 HG SER A 19 -5.714 1.534 -19.875 1.00 0.00 H new ATOM 308 N PRO A 20 -2.957 0.519 -22.229 1.00 0.00 N ATOM 309 CA PRO A 20 -1.561 1.035 -22.091 1.00 0.00 C ATOM 310 C PRO A 20 -1.261 1.519 -20.671 1.00 0.00 C ATOM 311 O PRO A 20 -0.122 1.447 -20.211 1.00 0.00 O ATOM 312 CB PRO A 20 -1.496 2.196 -23.104 1.00 0.00 C ATOM 313 CG PRO A 20 -2.920 2.611 -23.309 1.00 0.00 C ATOM 314 CD PRO A 20 -3.752 1.341 -23.156 1.00 0.00 C ATOM 0 HA PRO A 20 -0.817 0.261 -22.282 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.896 3.021 -22.721 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.039 1.877 -24.041 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.217 3.363 -22.578 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.060 3.053 -24.295 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.742 1.556 -22.754 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.898 0.839 -24.113 1.00 0.00 H new ATOM 322 N ALA A 21 -2.286 2.020 -19.989 1.00 0.00 N ATOM 323 CA ALA A 21 -2.110 2.522 -18.631 1.00 0.00 C ATOM 324 C ALA A 21 -1.703 1.401 -17.678 1.00 0.00 C ATOM 325 O ALA A 21 -0.666 1.478 -17.018 1.00 0.00 O ATOM 326 CB ALA A 21 -3.416 3.156 -18.142 1.00 0.00 C ATOM 0 H ALA A 21 -3.238 2.089 -20.350 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.316 3.269 -18.645 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.281 3.530 -17.127 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.688 3.981 -18.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.209 2.408 -18.151 1.00 0.00 H new ATOM 332 N TYR A 22 -2.523 0.362 -17.613 1.00 0.00 N ATOM 333 CA TYR A 22 -2.244 -0.765 -16.735 1.00 0.00 C ATOM 334 C TYR A 22 -0.930 -1.435 -17.125 1.00 0.00 C ATOM 335 O TYR A 22 -0.097 -1.775 -16.275 1.00 0.00 O ATOM 336 CB TYR A 22 -3.392 -1.773 -16.819 1.00 0.00 C ATOM 337 CG TYR A 22 -3.101 -2.948 -15.921 1.00 0.00 C ATOM 338 CD1 TYR A 22 -2.304 -3.994 -16.390 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.626 -2.992 -14.621 1.00 0.00 C ATOM 340 CE1 TYR A 22 -2.029 -5.087 -15.567 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.350 -4.088 -13.795 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.551 -5.135 -14.268 1.00 0.00 C ATOM 343 OH TYR A 22 -2.277 -6.216 -13.453 1.00 0.00 O ATOM 0 H TYR A 22 -3.383 0.276 -18.155 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.154 -0.402 -15.711 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.328 -1.299 -16.523 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.518 -2.111 -17.848 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.900 -3.957 -17.391 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.242 -2.182 -14.258 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.414 -5.896 -15.932 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.753 -4.125 -12.794 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.714 -6.091 -12.585 1.00 0.00 H new ATOM 353 N ARG A 23 -0.742 -1.627 -18.418 1.00 0.00 N ATOM 354 CA ARG A 23 0.467 -2.263 -18.892 1.00 0.00 C ATOM 355 C ARG A 23 1.684 -1.464 -18.424 1.00 0.00 C ATOM 356 O ARG A 23 2.640 -2.018 -17.873 1.00 0.00 O ATOM 357 CB ARG A 23 0.440 -2.332 -20.419 1.00 0.00 C ATOM 358 CG ARG A 23 1.620 -3.163 -20.915 1.00 0.00 C ATOM 359 CD ARG A 23 1.631 -3.176 -22.444 1.00 0.00 C ATOM 360 NE ARG A 23 2.637 -4.113 -22.932 1.00 0.00 N ATOM 361 CZ ARG A 23 2.835 -4.298 -24.234 1.00 0.00 C ATOM 362 NH1 ARG A 23 2.121 -3.636 -25.104 1.00 0.00 N ATOM 363 NH2 ARG A 23 3.741 -5.144 -24.642 1.00 0.00 N ATOM 0 H ARG A 23 -1.402 -1.355 -19.147 1.00 0.00 H new ATOM 0 HA ARG A 23 0.531 -3.274 -18.490 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.497 -2.775 -20.757 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.487 -1.327 -20.839 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.555 -2.747 -20.538 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.547 -4.181 -20.533 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.648 -3.459 -22.820 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.841 -2.176 -22.822 1.00 0.00 H new ATOM 0 HE ARG A 23 3.200 -4.637 -22.261 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.411 -2.977 -24.785 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.273 -3.778 -26.103 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.297 -5.663 -23.962 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.893 -5.286 -25.641 1.00 0.00 H new ATOM 377 N GLN A 24 1.631 -0.150 -18.613 1.00 0.00 N ATOM 378 CA GLN A 24 2.728 0.708 -18.193 1.00 0.00 C ATOM 379 C GLN A 24 2.986 0.553 -16.699 1.00 0.00 C ATOM 380 O GLN A 24 4.137 0.576 -16.262 1.00 0.00 O ATOM 381 CB GLN A 24 2.410 2.175 -18.497 1.00 0.00 C ATOM 382 CG GLN A 24 3.704 2.991 -18.455 1.00 0.00 C ATOM 383 CD GLN A 24 4.499 2.770 -19.736 1.00 0.00 C ATOM 384 OE1 GLN A 24 3.932 2.788 -20.829 1.00 0.00 O ATOM 385 NE2 GLN A 24 5.785 2.564 -19.666 1.00 0.00 N ATOM 0 H GLN A 24 0.849 0.338 -19.049 1.00 0.00 H new ATOM 0 HA GLN A 24 3.618 0.409 -18.747 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.943 2.262 -19.478 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.698 2.563 -17.769 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.473 4.050 -18.338 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.301 2.698 -17.591 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.251 2.550 -18.759 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.325 2.417 -20.519 1.00 0.00 H new ATOM 394 N LYS A 25 1.922 0.390 -15.911 1.00 0.00 N ATOM 395 CA LYS A 25 2.110 0.232 -14.474 1.00 0.00 C ATOM 396 C LYS A 25 3.005 -0.963 -14.212 1.00 0.00 C ATOM 397 O LYS A 25 3.892 -0.898 -13.361 1.00 0.00 O ATOM 398 CB LYS A 25 0.781 0.029 -13.749 1.00 0.00 C ATOM 399 CG LYS A 25 -0.019 1.331 -13.763 1.00 0.00 C ATOM 400 CD LYS A 25 -1.406 1.096 -13.146 1.00 0.00 C ATOM 401 CE LYS A 25 -1.308 1.064 -11.617 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.680 1.049 -11.037 1.00 0.00 N ATOM 0 H LYS A 25 0.954 0.365 -16.232 1.00 0.00 H new ATOM 0 HA LYS A 25 2.569 1.145 -14.094 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.210 -0.765 -14.231 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.961 -0.287 -12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.512 2.101 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.122 1.694 -14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.089 1.887 -13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.819 0.156 -13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.755 0.182 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.758 1.934 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.618 1.027 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.192 1.903 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.189 0.206 -11.371 1.00 0.00 H new ATOM 416 N LEU A 26 2.804 -2.047 -14.959 1.00 0.00 N ATOM 417 CA LEU A 26 3.661 -3.219 -14.771 1.00 0.00 C ATOM 418 C LEU A 26 5.110 -2.854 -15.076 1.00 0.00 C ATOM 419 O LEU A 26 6.018 -3.240 -14.341 1.00 0.00 O ATOM 420 CB LEU A 26 3.218 -4.390 -15.673 1.00 0.00 C ATOM 421 CG LEU A 26 2.168 -5.256 -14.964 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.783 -5.946 -13.725 1.00 0.00 C ATOM 423 CD2 LEU A 26 0.982 -4.389 -14.542 1.00 0.00 C ATOM 0 H LEU A 26 2.084 -2.141 -15.675 1.00 0.00 H new ATOM 0 HA LEU A 26 3.573 -3.539 -13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.807 -4.002 -16.605 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.082 -5.000 -15.935 1.00 0.00 H new ATOM 0 HG LEU A 26 1.824 -6.025 -15.655 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.025 -6.556 -13.234 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.613 -6.580 -14.036 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.146 -5.189 -13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.239 -5.008 -14.039 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.325 -3.609 -13.862 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.535 -3.930 -15.424 1.00 0.00 H new ATOM 435 N LEU A 27 5.324 -2.102 -16.148 1.00 0.00 N ATOM 436 CA LEU A 27 6.682 -1.690 -16.510 1.00 0.00 C ATOM 437 C LEU A 27 7.301 -0.807 -15.423 1.00 0.00 C ATOM 438 O LEU A 27 8.490 -0.925 -15.120 1.00 0.00 O ATOM 439 CB LEU A 27 6.666 -0.930 -17.849 1.00 0.00 C ATOM 440 CG LEU A 27 6.693 -1.919 -19.030 1.00 0.00 C ATOM 441 CD1 LEU A 27 8.075 -2.585 -19.146 1.00 0.00 C ATOM 442 CD2 LEU A 27 5.619 -2.996 -18.828 1.00 0.00 C ATOM 0 H LEU A 27 4.592 -1.768 -16.775 1.00 0.00 H new ATOM 0 HA LEU A 27 7.290 -2.589 -16.610 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.774 -0.306 -17.909 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.526 -0.263 -17.906 1.00 0.00 H new ATOM 0 HG LEU A 27 6.491 -1.369 -19.949 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.075 -3.280 -19.986 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.835 -1.821 -19.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.296 -3.127 -18.226 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.641 -3.694 -19.665 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.814 -3.535 -17.901 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.637 -2.525 -18.774 1.00 0.00 H new ATOM 454 N SER A 28 6.499 0.084 -14.854 1.00 0.00 N ATOM 455 CA SER A 28 6.992 0.991 -13.817 1.00 0.00 C ATOM 456 C SER A 28 7.512 0.217 -12.608 1.00 0.00 C ATOM 457 O SER A 28 8.570 0.535 -12.063 1.00 0.00 O ATOM 458 CB SER A 28 5.869 1.930 -13.378 1.00 0.00 C ATOM 459 OG SER A 28 5.457 2.718 -14.485 1.00 0.00 O ATOM 0 H SER A 28 5.513 0.200 -15.088 1.00 0.00 H new ATOM 0 HA SER A 28 7.817 1.569 -14.235 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.027 1.354 -12.993 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.213 2.572 -12.567 1.00 0.00 H new ATOM 0 HG SER A 28 5.012 2.147 -15.145 1.00 0.00 H new ATOM 465 N LEU A 29 6.757 -0.795 -12.193 1.00 0.00 N ATOM 466 CA LEU A 29 7.137 -1.616 -11.041 1.00 0.00 C ATOM 467 C LEU A 29 7.915 -2.850 -11.495 1.00 0.00 C ATOM 468 O LEU A 29 7.514 -3.542 -12.431 1.00 0.00 O ATOM 469 CB LEU A 29 5.873 -2.045 -10.277 1.00 0.00 C ATOM 470 CG LEU A 29 4.896 -2.796 -11.228 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.011 -4.312 -11.015 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.448 -2.363 -10.948 1.00 0.00 C ATOM 0 H LEU A 29 5.879 -1.069 -12.634 1.00 0.00 H new ATOM 0 HA LEU A 29 7.777 -1.027 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.146 -2.690 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.380 -1.169 -9.855 1.00 0.00 H new ATOM 0 HG LEU A 29 5.160 -2.550 -12.256 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.323 -4.827 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.031 -4.633 -11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.761 -4.554 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.773 -2.895 -11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.192 -2.597 -9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.351 -1.290 -11.111 1.00 0.00 H new ATOM 484 N GLY A 30 9.035 -3.113 -10.827 1.00 0.00 N ATOM 485 CA GLY A 30 9.871 -4.261 -11.168 1.00 0.00 C ATOM 486 C GLY A 30 9.249 -5.560 -10.660 1.00 0.00 C ATOM 487 O GLY A 30 9.780 -6.648 -10.889 1.00 0.00 O ATOM 0 H GLY A 30 9.383 -2.551 -10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.000 -4.314 -12.249 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.863 -4.135 -10.735 1.00 0.00 H new ATOM 491 N MET A 31 8.114 -5.434 -9.979 1.00 0.00 N ATOM 492 CA MET A 31 7.405 -6.593 -9.444 1.00 0.00 C ATOM 493 C MET A 31 6.470 -7.149 -10.505 1.00 0.00 C ATOM 494 O MET A 31 5.256 -6.954 -10.446 1.00 0.00 O ATOM 495 CB MET A 31 6.592 -6.183 -8.219 1.00 0.00 C ATOM 496 CG MET A 31 7.541 -5.817 -7.076 1.00 0.00 C ATOM 497 SD MET A 31 6.579 -5.268 -5.641 1.00 0.00 S ATOM 498 CE MET A 31 6.263 -3.570 -6.193 1.00 0.00 C ATOM 0 H MET A 31 7.664 -4.539 -9.784 1.00 0.00 H new ATOM 0 HA MET A 31 8.130 -7.355 -9.157 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.953 -5.334 -8.461 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.937 -6.999 -7.915 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.154 -6.678 -6.808 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.222 -5.028 -7.394 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.818 -2.874 -5.564 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.584 -3.459 -7.229 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.197 -3.356 -6.118 1.00 0.00 H new ATOM 508 N LEU A 32 7.050 -7.829 -11.482 1.00 0.00 N ATOM 509 CA LEU A 32 6.277 -8.404 -12.576 1.00 0.00 C ATOM 510 C LEU A 32 5.682 -9.755 -12.150 1.00 0.00 C ATOM 511 O LEU A 32 6.044 -10.291 -11.103 1.00 0.00 O ATOM 512 CB LEU A 32 7.215 -8.552 -13.806 1.00 0.00 C ATOM 513 CG LEU A 32 6.832 -7.546 -14.922 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.457 -6.180 -14.624 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.338 -8.045 -16.274 1.00 0.00 C ATOM 0 H LEU A 32 8.054 -7.997 -11.541 1.00 0.00 H new ATOM 0 HA LEU A 32 5.442 -7.755 -12.840 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.248 -8.387 -13.502 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.156 -9.569 -14.193 1.00 0.00 H new ATOM 0 HG LEU A 32 5.746 -7.454 -14.954 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.185 -5.476 -15.411 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.089 -5.813 -13.666 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.542 -6.277 -14.583 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.064 -7.331 -17.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.423 -8.147 -16.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.889 -9.013 -16.496 1.00 0.00 H new ATOM 527 N PRO A 33 4.774 -10.302 -12.928 1.00 0.00 N ATOM 528 CA PRO A 33 4.122 -11.603 -12.609 1.00 0.00 C ATOM 529 C PRO A 33 5.116 -12.644 -12.111 1.00 0.00 C ATOM 530 O PRO A 33 6.320 -12.402 -12.066 1.00 0.00 O ATOM 531 CB PRO A 33 3.510 -12.046 -13.940 1.00 0.00 C ATOM 532 CG PRO A 33 3.258 -10.783 -14.698 1.00 0.00 C ATOM 533 CD PRO A 33 4.267 -9.741 -14.194 1.00 0.00 C ATOM 0 HA PRO A 33 3.391 -11.497 -11.808 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.188 -12.703 -14.485 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.585 -12.601 -13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.377 -10.947 -15.769 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.237 -10.437 -14.540 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.073 -9.589 -14.912 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.793 -8.772 -14.037 1.00 0.00 H new ATOM 541 N GLY A 34 4.595 -13.812 -11.754 1.00 0.00 N ATOM 542 CA GLY A 34 5.430 -14.906 -11.269 1.00 0.00 C ATOM 543 C GLY A 34 5.043 -15.287 -9.844 1.00 0.00 C ATOM 544 O GLY A 34 5.758 -16.030 -9.173 1.00 0.00 O ATOM 0 H GLY A 34 3.599 -14.027 -11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.322 -15.771 -11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.479 -14.611 -11.300 1.00 0.00 H new ATOM 548 N SER A 35 3.902 -14.768 -9.391 1.00 0.00 N ATOM 549 CA SER A 35 3.405 -15.050 -8.043 1.00 0.00 C ATOM 550 C SER A 35 1.883 -15.144 -8.048 1.00 0.00 C ATOM 551 O SER A 35 1.254 -15.142 -9.106 1.00 0.00 O ATOM 552 CB SER A 35 3.842 -13.952 -7.075 1.00 0.00 C ATOM 553 OG SER A 35 3.263 -14.195 -5.800 1.00 0.00 O ATOM 0 H SER A 35 3.303 -14.149 -9.938 1.00 0.00 H new ATOM 0 HA SER A 35 3.823 -16.003 -7.718 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.929 -13.932 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.531 -12.976 -7.449 1.00 0.00 H new ATOM 0 HG SER A 35 3.959 -14.151 -5.111 1.00 0.00 H new ATOM 559 N SER A 36 1.297 -15.233 -6.855 1.00 0.00 N ATOM 560 CA SER A 36 -0.159 -15.334 -6.716 1.00 0.00 C ATOM 561 C SER A 36 -0.676 -14.286 -5.739 1.00 0.00 C ATOM 562 O SER A 36 0.060 -13.812 -4.875 1.00 0.00 O ATOM 563 CB SER A 36 -0.538 -16.726 -6.213 1.00 0.00 C ATOM 564 OG SER A 36 -0.150 -17.695 -7.179 1.00 0.00 O ATOM 0 H SER A 36 1.805 -15.237 -5.971 1.00 0.00 H new ATOM 0 HA SER A 36 -0.611 -15.162 -7.693 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.047 -16.928 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.612 -16.782 -6.036 1.00 0.00 H new ATOM 0 HG SER A 36 0.067 -18.538 -6.728 1.00 0.00 H new ATOM 570 N PHE A 37 -1.950 -13.926 -5.886 1.00 0.00 N ATOM 571 CA PHE A 37 -2.567 -12.926 -5.013 1.00 0.00 C ATOM 572 C PHE A 37 -3.948 -13.391 -4.568 1.00 0.00 C ATOM 573 O PHE A 37 -4.562 -14.249 -5.204 1.00 0.00 O ATOM 574 CB PHE A 37 -2.691 -11.592 -5.753 1.00 0.00 C ATOM 575 CG PHE A 37 -3.724 -11.704 -6.853 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.368 -12.200 -8.112 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.043 -11.309 -6.606 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.331 -12.301 -9.122 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.005 -11.408 -7.616 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.649 -11.904 -8.874 1.00 0.00 C ATOM 0 H PHE A 37 -2.573 -14.309 -6.597 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.936 -12.796 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.975 -10.805 -5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.727 -11.310 -6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.350 -12.505 -8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.319 -10.927 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.057 -12.686 -10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.023 -11.101 -7.424 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.392 -11.981 -9.654 1.00 0.00 H new ATOM 590 N ASN A 38 -4.430 -12.817 -3.467 1.00 0.00 N ATOM 591 CA ASN A 38 -5.744 -13.170 -2.928 1.00 0.00 C ATOM 592 C ASN A 38 -6.713 -12.002 -3.071 1.00 0.00 C ATOM 593 O ASN A 38 -6.310 -10.832 -3.062 1.00 0.00 O ATOM 594 CB ASN A 38 -5.618 -13.551 -1.454 1.00 0.00 C ATOM 595 CG ASN A 38 -4.868 -14.873 -1.326 1.00 0.00 C ATOM 596 OD1 ASN A 38 -4.730 -15.606 -2.306 1.00 0.00 O ATOM 597 ND2 ASN A 38 -4.378 -15.226 -0.171 1.00 0.00 N ATOM 0 H ASN A 38 -3.932 -12.106 -2.931 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.130 -14.019 -3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.089 -12.768 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.608 -13.638 -1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.879 -16.111 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.493 -14.617 0.639 1.00 0.00 H new ATOM 604 N VAL A 39 -7.998 -12.324 -3.206 1.00 0.00 N ATOM 605 CA VAL A 39 -9.017 -11.295 -3.353 1.00 0.00 C ATOM 606 C VAL A 39 -9.483 -10.804 -1.985 1.00 0.00 C ATOM 607 O VAL A 39 -9.878 -11.600 -1.135 1.00 0.00 O ATOM 608 CB VAL A 39 -10.217 -11.855 -4.121 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.153 -10.709 -4.514 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.728 -12.576 -5.379 1.00 0.00 C ATOM 0 H VAL A 39 -8.353 -13.280 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.584 -10.460 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.756 -12.560 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.007 -11.108 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.503 -10.200 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.616 -10.001 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.583 -12.975 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.187 -11.874 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.065 -13.394 -5.095 1.00 0.00 H new ATOM 620 N VAL A 40 -9.438 -9.493 -1.780 1.00 0.00 N ATOM 621 CA VAL A 40 -9.867 -8.913 -0.512 1.00 0.00 C ATOM 622 C VAL A 40 -11.375 -9.073 -0.324 1.00 0.00 C ATOM 623 O VAL A 40 -11.843 -9.376 0.775 1.00 0.00 O ATOM 624 CB VAL A 40 -9.463 -7.428 -0.450 1.00 0.00 C ATOM 625 CG1 VAL A 40 -9.815 -6.724 -1.770 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.193 -6.733 0.710 1.00 0.00 C ATOM 0 H VAL A 40 -9.112 -8.816 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.372 -9.445 0.300 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.387 -7.368 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.524 -5.675 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.282 -7.203 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.889 -6.793 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.901 -5.683 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.270 -6.805 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.926 -7.217 1.650 1.00 0.00 H new ATOM 636 N ARG A 41 -12.125 -8.857 -1.395 1.00 0.00 N ATOM 637 CA ARG A 41 -13.575 -8.965 -1.337 1.00 0.00 C ATOM 638 C ARG A 41 -14.165 -8.818 -2.735 1.00 0.00 C ATOM 639 O ARG A 41 -13.511 -8.297 -3.638 1.00 0.00 O ATOM 640 CB ARG A 41 -14.136 -7.866 -0.431 1.00 0.00 C ATOM 641 CG ARG A 41 -13.878 -6.497 -1.068 1.00 0.00 C ATOM 642 CD ARG A 41 -14.198 -5.397 -0.054 1.00 0.00 C ATOM 643 NE ARG A 41 -15.615 -5.426 0.293 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.540 -4.976 -0.550 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.186 -4.498 -1.712 1.00 0.00 N ATOM 646 NH2 ARG A 41 -17.800 -5.012 -0.216 1.00 0.00 N ATOM 0 H ARG A 41 -11.755 -8.607 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.842 -9.942 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.206 -8.014 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.667 -7.916 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.838 -6.422 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.494 -6.376 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.594 -5.533 0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.938 -4.423 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.901 -5.798 1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.200 -4.470 -1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.895 -4.153 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.076 -5.385 0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.509 -4.667 -0.863 1.00 0.00 H new ATOM 660 N VAL A 42 -15.405 -9.262 -2.905 1.00 0.00 N ATOM 661 CA VAL A 42 -16.088 -9.156 -4.198 1.00 0.00 C ATOM 662 C VAL A 42 -17.467 -8.533 -4.007 1.00 0.00 C ATOM 663 O VAL A 42 -18.290 -9.046 -3.250 1.00 0.00 O ATOM 664 CB VAL A 42 -16.227 -10.546 -4.821 1.00 0.00 C ATOM 665 CG1 VAL A 42 -14.833 -11.118 -5.090 1.00 0.00 C ATOM 666 CG2 VAL A 42 -16.989 -11.473 -3.865 1.00 0.00 C ATOM 0 H VAL A 42 -15.960 -9.698 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.502 -8.522 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.780 -10.470 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.926 -12.109 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.297 -10.462 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.282 -11.191 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.084 -12.461 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.444 -11.554 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.981 -11.064 -3.675 1.00 0.00 H new ATOM 676 N ALA A 43 -17.717 -7.414 -4.687 1.00 0.00 N ATOM 677 CA ALA A 43 -19.008 -6.734 -4.569 1.00 0.00 C ATOM 678 C ALA A 43 -19.961 -7.187 -5.691 1.00 0.00 C ATOM 679 O ALA A 43 -19.738 -6.846 -6.854 1.00 0.00 O ATOM 680 CB ALA A 43 -18.790 -5.220 -4.663 1.00 0.00 C ATOM 0 H ALA A 43 -17.053 -6.964 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.456 -6.987 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.748 -4.708 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.131 -4.897 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.335 -4.977 -5.623 1.00 0.00 H new ATOM 686 N PRO A 44 -21.015 -7.931 -5.392 1.00 0.00 N ATOM 687 CA PRO A 44 -21.977 -8.395 -6.433 1.00 0.00 C ATOM 688 C PRO A 44 -22.928 -7.284 -6.882 1.00 0.00 C ATOM 689 O PRO A 44 -23.658 -7.439 -7.862 1.00 0.00 O ATOM 690 CB PRO A 44 -22.728 -9.549 -5.757 1.00 0.00 C ATOM 691 CG PRO A 44 -22.687 -9.237 -4.292 1.00 0.00 C ATOM 692 CD PRO A 44 -21.413 -8.411 -4.046 1.00 0.00 C ATOM 0 HA PRO A 44 -21.472 -8.704 -7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.755 -9.616 -6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.253 -10.507 -5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.573 -8.678 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.673 -10.154 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.604 -7.579 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.628 -9.017 -3.593 1.00 0.00 H new ATOM 700 N LEU A 45 -22.935 -6.181 -6.142 1.00 0.00 N ATOM 701 CA LEU A 45 -23.820 -5.063 -6.450 1.00 0.00 C ATOM 702 C LEU A 45 -23.546 -4.518 -7.849 1.00 0.00 C ATOM 703 O LEU A 45 -24.454 -4.022 -8.516 1.00 0.00 O ATOM 704 CB LEU A 45 -23.612 -3.947 -5.423 1.00 0.00 C ATOM 705 CG LEU A 45 -23.711 -4.520 -4.004 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.469 -3.399 -2.990 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.104 -5.127 -3.779 1.00 0.00 C ATOM 0 H LEU A 45 -22.340 -6.037 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.849 -5.420 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.637 -3.482 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.361 -3.167 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.960 -5.300 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.538 -3.801 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.476 -2.976 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.220 -2.620 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.166 -5.532 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.862 -4.355 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.274 -5.926 -4.501 1.00 0.00 H new ATOM 719 N GLY A 46 -22.293 -4.610 -8.296 1.00 0.00 N ATOM 720 CA GLY A 46 -21.916 -4.120 -9.627 1.00 0.00 C ATOM 721 C GLY A 46 -20.659 -3.262 -9.559 1.00 0.00 C ATOM 722 O GLY A 46 -20.432 -2.411 -10.420 1.00 0.00 O ATOM 0 H GLY A 46 -21.525 -5.016 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.748 -4.965 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.735 -3.538 -10.049 1.00 0.00 H new ATOM 726 N ASP A 47 -19.843 -3.488 -8.534 1.00 0.00 N ATOM 727 CA ASP A 47 -18.602 -2.730 -8.361 1.00 0.00 C ATOM 728 C ASP A 47 -17.422 -3.538 -8.914 1.00 0.00 C ATOM 729 O ASP A 47 -17.509 -4.756 -9.069 1.00 0.00 O ATOM 730 CB ASP A 47 -18.400 -2.423 -6.856 1.00 0.00 C ATOM 731 CG ASP A 47 -18.696 -0.953 -6.547 1.00 0.00 C ATOM 732 OD1 ASP A 47 -19.825 -0.539 -6.753 1.00 0.00 O ATOM 733 OD2 ASP A 47 -17.785 -0.267 -6.111 1.00 0.00 O ATOM 0 H ASP A 47 -20.015 -4.187 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.660 -1.789 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.053 -3.061 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.375 -2.659 -6.568 1.00 0.00 H new ATOM 738 N PRO A 48 -16.328 -2.885 -9.203 1.00 0.00 N ATOM 739 CA PRO A 48 -15.106 -3.551 -9.748 1.00 0.00 C ATOM 740 C PRO A 48 -14.589 -4.648 -8.819 1.00 0.00 C ATOM 741 O PRO A 48 -15.119 -4.849 -7.727 1.00 0.00 O ATOM 742 CB PRO A 48 -14.083 -2.402 -9.884 1.00 0.00 C ATOM 743 CG PRO A 48 -14.610 -1.305 -9.011 1.00 0.00 C ATOM 744 CD PRO A 48 -16.127 -1.439 -9.041 1.00 0.00 C ATOM 0 HA PRO A 48 -15.302 -4.055 -10.694 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.090 -2.718 -9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.994 -2.074 -10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.230 -1.399 -7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.297 -0.328 -9.380 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.583 -1.069 -8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.566 -0.876 -9.865 1.00 0.00 H new ATOM 752 N ILE A 49 -13.556 -5.362 -9.268 1.00 0.00 N ATOM 753 CA ILE A 49 -12.980 -6.442 -8.480 1.00 0.00 C ATOM 754 C ILE A 49 -11.837 -5.909 -7.629 1.00 0.00 C ATOM 755 O ILE A 49 -10.813 -5.468 -8.153 1.00 0.00 O ATOM 756 CB ILE A 49 -12.465 -7.531 -9.425 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.466 -7.700 -10.577 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.303 -8.855 -8.669 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.872 -7.948 -10.023 1.00 0.00 C ATOM 0 H ILE A 49 -13.105 -5.210 -10.170 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.741 -6.861 -7.821 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.492 -7.242 -9.822 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.466 -6.807 -11.203 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.165 -8.534 -11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.936 -9.621 -9.352 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.591 -8.724 -7.854 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.267 -9.162 -8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.573 -8.066 -10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.870 -8.854 -9.417 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.175 -7.101 -9.408 1.00 0.00 H new ATOM 771 N HIS A 50 -12.021 -5.950 -6.317 1.00 0.00 N ATOM 772 CA HIS A 50 -11.003 -5.466 -5.391 1.00 0.00 C ATOM 773 C HIS A 50 -10.102 -6.612 -4.970 1.00 0.00 C ATOM 774 O HIS A 50 -10.571 -7.615 -4.430 1.00 0.00 O ATOM 775 CB HIS A 50 -11.671 -4.863 -4.153 1.00 0.00 C ATOM 776 CG HIS A 50 -12.434 -3.624 -4.539 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.496 -2.512 -3.714 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.173 -3.305 -5.652 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.247 -1.584 -4.336 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.685 -2.017 -5.520 1.00 0.00 N ATOM 0 H HIS A 50 -12.863 -6.312 -5.869 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.407 -4.701 -5.889 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.345 -5.591 -3.701 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.917 -4.619 -3.404 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.053 -2.414 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.333 -3.954 -6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.468 -0.609 -3.927 1.00 0.00 H new ATOM 788 N ILE A 51 -8.803 -6.461 -5.220 1.00 0.00 N ATOM 789 CA ILE A 51 -7.834 -7.496 -4.864 1.00 0.00 C ATOM 790 C ILE A 51 -6.697 -6.911 -4.039 1.00 0.00 C ATOM 791 O ILE A 51 -6.349 -5.736 -4.187 1.00 0.00 O ATOM 792 CB ILE A 51 -7.278 -8.151 -6.137 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.621 -7.085 -7.028 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.426 -8.820 -6.900 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.882 -7.762 -8.187 1.00 0.00 C ATOM 0 H ILE A 51 -8.399 -5.637 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.340 -8.251 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.531 -8.897 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.379 -6.404 -7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.925 -6.486 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.038 -9.287 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.888 -9.579 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.170 -8.070 -7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.418 -7.002 -8.816 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.113 -8.424 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.589 -8.342 -8.780 1.00 0.00 H new ATOM 807 N GLU A 52 -6.113 -7.741 -3.171 1.00 0.00 N ATOM 808 CA GLU A 52 -5.003 -7.298 -2.325 1.00 0.00 C ATOM 809 C GLU A 52 -3.839 -8.266 -2.441 1.00 0.00 C ATOM 810 O GLU A 52 -4.031 -9.481 -2.459 1.00 0.00 O ATOM 811 CB GLU A 52 -5.453 -7.186 -0.866 1.00 0.00 C ATOM 812 CG GLU A 52 -5.864 -8.562 -0.331 1.00 0.00 C ATOM 813 CD GLU A 52 -4.633 -9.364 0.082 1.00 0.00 C ATOM 814 OE1 GLU A 52 -3.712 -8.765 0.614 1.00 0.00 O ATOM 815 OE2 GLU A 52 -4.633 -10.565 -0.131 1.00 0.00 O ATOM 0 H GLU A 52 -6.387 -8.714 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.679 -6.314 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.645 -6.778 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.291 -6.493 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.531 -8.442 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.419 -9.105 -1.096 1.00 0.00 H new ATOM 822 N THR A 53 -2.628 -7.719 -2.531 1.00 0.00 N ATOM 823 CA THR A 53 -1.427 -8.545 -2.656 1.00 0.00 C ATOM 824 C THR A 53 -0.394 -8.112 -1.622 1.00 0.00 C ATOM 825 O THR A 53 -0.191 -6.917 -1.397 1.00 0.00 O ATOM 826 CB THR A 53 -0.836 -8.399 -4.072 1.00 0.00 C ATOM 827 OG1 THR A 53 0.160 -7.386 -4.064 1.00 0.00 O ATOM 828 CG2 THR A 53 -1.939 -8.006 -5.066 1.00 0.00 C ATOM 0 H THR A 53 -2.452 -6.714 -2.520 1.00 0.00 H new ATOM 0 HA THR A 53 -1.693 -9.588 -2.485 1.00 0.00 H new ATOM 0 HB THR A 53 -0.400 -9.351 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.310 -7.067 -4.979 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.511 -7.905 -6.063 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.710 -8.777 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.380 -7.056 -4.763 1.00 0.00 H new ATOM 836 N ARG A 54 0.260 -9.089 -1.003 1.00 0.00 N ATOM 837 CA ARG A 54 1.271 -8.803 0.007 1.00 0.00 C ATOM 838 C ARG A 54 2.179 -7.667 -0.450 1.00 0.00 C ATOM 839 O ARG A 54 2.820 -7.001 0.363 1.00 0.00 O ATOM 840 CB ARG A 54 2.101 -10.060 0.274 1.00 0.00 C ATOM 841 CG ARG A 54 2.856 -10.452 -0.998 1.00 0.00 C ATOM 842 CD ARG A 54 3.522 -11.813 -0.797 1.00 0.00 C ATOM 843 NE ARG A 54 4.501 -11.740 0.282 1.00 0.00 N ATOM 844 CZ ARG A 54 5.727 -11.275 0.069 1.00 0.00 C ATOM 845 NH1 ARG A 54 6.074 -10.870 -1.123 1.00 0.00 N ATOM 846 NH2 ARG A 54 6.583 -11.221 1.052 1.00 0.00 N ATOM 0 H ARG A 54 0.109 -10.082 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 54 0.772 -8.497 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.805 -9.878 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.452 -10.877 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.169 -10.493 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.608 -9.699 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.768 -12.564 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.010 -12.127 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 54 4.239 -12.052 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.404 -10.911 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.015 -10.513 -1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.311 -11.536 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.525 -10.864 0.889 1.00 0.00 H new ATOM 860 N ARG A 55 2.223 -7.449 -1.761 1.00 0.00 N ATOM 861 CA ARG A 55 3.048 -6.389 -2.326 1.00 0.00 C ATOM 862 C ARG A 55 2.320 -5.048 -2.255 1.00 0.00 C ATOM 863 O ARG A 55 2.882 -4.048 -1.810 1.00 0.00 O ATOM 864 CB ARG A 55 3.373 -6.715 -3.785 1.00 0.00 C ATOM 865 CG ARG A 55 4.285 -7.941 -3.841 1.00 0.00 C ATOM 866 CD ARG A 55 4.561 -8.308 -5.300 1.00 0.00 C ATOM 867 NE ARG A 55 5.437 -9.475 -5.368 1.00 0.00 N ATOM 868 CZ ARG A 55 4.947 -10.712 -5.338 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.659 -10.905 -5.244 1.00 0.00 N ATOM 870 NH2 ARG A 55 5.755 -11.734 -5.401 1.00 0.00 N ATOM 0 H ARG A 55 1.699 -7.990 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 55 3.970 -6.319 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.454 -6.906 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.861 -5.863 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.222 -7.734 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.816 -8.780 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.623 -8.518 -5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.024 -7.466 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 55 6.445 -9.339 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.026 -10.107 -5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.286 -11.854 -5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.761 -11.585 -5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.380 -12.682 -5.378 1.00 0.00 H new ATOM 884 N VAL A 56 1.066 -5.038 -2.698 1.00 0.00 N ATOM 885 CA VAL A 56 0.271 -3.814 -2.684 1.00 0.00 C ATOM 886 C VAL A 56 -1.182 -4.116 -2.996 1.00 0.00 C ATOM 887 O VAL A 56 -1.516 -5.218 -3.435 1.00 0.00 O ATOM 888 CB VAL A 56 0.816 -2.823 -3.713 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.667 -3.408 -5.121 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.049 -1.494 -3.624 1.00 0.00 C ATOM 0 H VAL A 56 0.582 -5.856 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 56 0.335 -3.377 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 56 1.870 -2.640 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.056 -2.700 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.225 -4.342 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.386 -3.599 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.445 -0.795 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.008 -1.670 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.166 -1.073 -2.625 1.00 0.00 H new ATOM 900 N SER A 57 -2.050 -3.128 -2.784 1.00 0.00 N ATOM 901 CA SER A 57 -3.470 -3.302 -3.066 1.00 0.00 C ATOM 902 C SER A 57 -3.828 -2.682 -4.410 1.00 0.00 C ATOM 903 O SER A 57 -3.254 -1.667 -4.810 1.00 0.00 O ATOM 904 CB SER A 57 -4.316 -2.665 -1.960 1.00 0.00 C ATOM 905 OG SER A 57 -4.530 -1.293 -2.266 1.00 0.00 O ATOM 0 H SER A 57 -1.797 -2.209 -2.422 1.00 0.00 H new ATOM 0 HA SER A 57 -3.681 -4.371 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.271 -3.183 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.811 -2.761 -0.999 1.00 0.00 H new ATOM 0 HG SER A 57 -5.073 -0.881 -1.561 1.00 0.00 H new ATOM 911 N LEU A 58 -4.780 -3.301 -5.105 1.00 0.00 N ATOM 912 CA LEU A 58 -5.212 -2.805 -6.410 1.00 0.00 C ATOM 913 C LEU A 58 -6.633 -3.276 -6.713 1.00 0.00 C ATOM 914 O LEU A 58 -7.042 -4.363 -6.302 1.00 0.00 O ATOM 915 CB LEU A 58 -4.245 -3.295 -7.500 1.00 0.00 C ATOM 916 CG LEU A 58 -4.680 -2.780 -8.880 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.618 -1.244 -8.929 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.753 -3.365 -9.951 1.00 0.00 C ATOM 0 H LEU A 58 -5.264 -4.141 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.206 -1.715 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.235 -2.950 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.216 -4.385 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.708 -3.092 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.930 -0.899 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.283 -0.829 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.597 -0.915 -8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.057 -3.003 -10.933 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.727 -3.056 -9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.815 -4.453 -9.931 1.00 0.00 H new ATOM 930 N VAL A 59 -7.382 -2.448 -7.445 1.00 0.00 N ATOM 931 CA VAL A 59 -8.762 -2.779 -7.818 1.00 0.00 C ATOM 932 C VAL A 59 -8.928 -2.654 -9.329 1.00 0.00 C ATOM 933 O VAL A 59 -8.540 -1.650 -9.922 1.00 0.00 O ATOM 934 CB VAL A 59 -9.744 -1.831 -7.111 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.331 -0.379 -7.352 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.160 -2.044 -7.659 1.00 0.00 C ATOM 0 H VAL A 59 -7.058 -1.545 -7.791 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.976 -3.803 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.728 -2.044 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.031 0.287 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.328 -0.216 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.339 -0.171 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.851 -1.369 -7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.170 -1.839 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.467 -3.075 -7.484 1.00 0.00 H new ATOM 946 N LEU A 60 -9.519 -3.679 -9.944 1.00 0.00 N ATOM 947 CA LEU A 60 -9.749 -3.687 -11.395 1.00 0.00 C ATOM 948 C LEU A 60 -11.184 -4.120 -11.696 1.00 0.00 C ATOM 949 O LEU A 60 -11.809 -4.819 -10.904 1.00 0.00 O ATOM 950 CB LEU A 60 -8.741 -4.642 -12.079 1.00 0.00 C ATOM 951 CG LEU A 60 -7.663 -3.858 -12.857 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.919 -2.891 -11.919 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.670 -4.853 -13.485 1.00 0.00 C ATOM 0 H LEU A 60 -9.848 -4.516 -9.463 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.602 -2.681 -11.787 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.264 -5.270 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.272 -5.307 -12.760 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.141 -3.273 -13.642 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.162 -2.346 -12.484 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.628 -2.185 -11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.439 -3.456 -11.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.906 -4.305 -14.036 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.198 -5.442 -12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.202 -5.517 -14.166 1.00 0.00 H new ATOM 965 N ARG A 61 -11.687 -3.696 -12.853 1.00 0.00 N ATOM 966 CA ARG A 61 -13.041 -4.037 -13.271 1.00 0.00 C ATOM 967 C ARG A 61 -13.130 -5.501 -13.689 1.00 0.00 C ATOM 968 O ARG A 61 -12.120 -6.141 -13.959 1.00 0.00 O ATOM 969 CB ARG A 61 -13.451 -3.143 -14.433 1.00 0.00 C ATOM 970 CG ARG A 61 -13.672 -1.723 -13.914 1.00 0.00 C ATOM 971 CD ARG A 61 -14.042 -0.821 -15.080 1.00 0.00 C ATOM 972 NE ARG A 61 -14.264 0.545 -14.616 1.00 0.00 N ATOM 973 CZ ARG A 61 -13.259 1.409 -14.501 1.00 0.00 C ATOM 974 NH1 ARG A 61 -12.043 1.043 -14.803 1.00 0.00 N ATOM 975 NH2 ARG A 61 -13.490 2.623 -14.085 1.00 0.00 N ATOM 0 H ARG A 61 -11.175 -3.115 -13.517 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.716 -3.881 -12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.678 -3.147 -15.202 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.363 -3.521 -14.895 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.465 -1.715 -13.166 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.769 -1.356 -13.426 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.246 -0.834 -15.825 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.941 -1.197 -15.568 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.209 0.843 -14.375 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.862 0.093 -15.128 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.274 1.707 -14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.440 2.909 -13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.721 3.287 -13.996 1.00 0.00 H new ATOM 989 N LYS A 62 -14.345 -6.029 -13.736 1.00 0.00 N ATOM 990 CA LYS A 62 -14.544 -7.423 -14.113 1.00 0.00 C ATOM 991 C LYS A 62 -13.894 -7.718 -15.464 1.00 0.00 C ATOM 992 O LYS A 62 -13.203 -8.730 -15.628 1.00 0.00 O ATOM 993 CB LYS A 62 -16.044 -7.713 -14.191 1.00 0.00 C ATOM 994 CG LYS A 62 -16.273 -9.179 -14.550 1.00 0.00 C ATOM 995 CD LYS A 62 -17.771 -9.464 -14.577 1.00 0.00 C ATOM 996 CE LYS A 62 -17.988 -10.933 -14.923 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.447 -11.234 -14.948 1.00 0.00 N ATOM 0 H LYS A 62 -15.202 -5.519 -13.520 1.00 0.00 H new ATOM 0 HA LYS A 62 -14.079 -8.060 -13.361 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -16.517 -7.486 -13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.509 -7.070 -14.938 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.832 -9.400 -15.522 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.782 -9.825 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.216 -9.235 -13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -18.263 -8.827 -15.312 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.544 -11.157 -15.893 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.489 -11.567 -14.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.591 -12.237 -15.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.858 -11.036 -14.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.912 -10.640 -15.664 1.00 0.00 H new ATOM 1011 N LYS A 63 -14.117 -6.835 -16.426 1.00 0.00 N ATOM 1012 CA LYS A 63 -13.553 -7.016 -17.758 1.00 0.00 C ATOM 1013 C LYS A 63 -12.033 -7.064 -17.692 1.00 0.00 C ATOM 1014 O LYS A 63 -11.396 -7.865 -18.376 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.978 -5.866 -18.671 1.00 0.00 C ATOM 1016 CG LYS A 63 -15.484 -5.947 -18.930 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.904 -4.873 -19.944 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.857 -3.481 -19.304 1.00 0.00 C ATOM 1019 NZ LYS A 63 -16.568 -2.514 -20.188 1.00 0.00 N ATOM 0 H LYS A 63 -14.680 -5.992 -16.312 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.925 -7.959 -18.159 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.729 -4.911 -18.209 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.433 -5.916 -19.614 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.743 -6.936 -19.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.029 -5.810 -17.996 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.243 -4.904 -20.810 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.912 -5.080 -20.305 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.324 -3.504 -18.319 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.823 -3.168 -19.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.540 -1.567 -19.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.103 -2.487 -21.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.558 -2.812 -20.304 1.00 0.00 H new ATOM 1033 N ASP A 64 -11.456 -6.204 -16.864 1.00 0.00 N ATOM 1034 CA ASP A 64 -10.008 -6.158 -16.721 1.00 0.00 C ATOM 1035 C ASP A 64 -9.478 -7.497 -16.208 1.00 0.00 C ATOM 1036 O ASP A 64 -8.449 -7.982 -16.676 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.617 -5.045 -15.757 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.851 -3.683 -16.400 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -10.053 -3.639 -17.603 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.822 -2.701 -15.677 1.00 0.00 O ATOM 0 H ASP A 64 -11.963 -5.534 -16.286 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.568 -5.959 -17.698 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.200 -5.127 -14.840 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.568 -5.148 -15.478 1.00 0.00 H new ATOM 1045 N LEU A 65 -10.195 -8.095 -15.256 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.794 -9.391 -14.703 1.00 0.00 C ATOM 1047 C LEU A 65 -9.826 -10.456 -15.795 1.00 0.00 C ATOM 1048 O LEU A 65 -8.925 -11.290 -15.881 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.729 -9.801 -13.540 1.00 0.00 C ATOM 1050 CG LEU A 65 -10.229 -9.249 -12.182 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.100 -10.125 -11.614 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -9.743 -7.806 -12.328 1.00 0.00 C ATOM 0 H LEU A 65 -11.049 -7.708 -14.854 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.778 -9.302 -14.317 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.736 -9.431 -13.735 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.793 -10.888 -13.490 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.069 -9.269 -11.488 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.767 -9.716 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.467 -11.140 -11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.265 -10.141 -12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.397 -7.439 -11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.923 -7.769 -13.045 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.563 -7.180 -12.681 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.864 -10.426 -16.629 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.979 -11.406 -17.706 1.00 0.00 C ATOM 1066 C ALA A 66 -9.813 -11.260 -18.678 1.00 0.00 C ATOM 1067 O ALA A 66 -9.275 -12.251 -19.174 1.00 0.00 O ATOM 1068 CB ALA A 66 -12.301 -11.220 -18.457 1.00 0.00 C ATOM 0 H ALA A 66 -11.624 -9.747 -16.582 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.957 -12.404 -17.268 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.372 -11.957 -19.257 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.134 -11.352 -17.766 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.339 -10.218 -18.884 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.429 -10.018 -18.948 1.00 0.00 N ATOM 1075 CA LEU A 67 -8.325 -9.755 -19.862 1.00 0.00 C ATOM 1076 C LEU A 67 -7.001 -10.237 -19.281 1.00 0.00 C ATOM 1077 O LEU A 67 -6.184 -10.819 -19.988 1.00 0.00 O ATOM 1078 CB LEU A 67 -8.231 -8.256 -20.149 1.00 0.00 C ATOM 1079 CG LEU A 67 -9.451 -7.803 -20.960 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.442 -6.276 -21.060 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -9.418 -8.427 -22.371 1.00 0.00 C ATOM 0 H LEU A 67 -9.862 -9.184 -18.551 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.519 -10.299 -20.786 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.179 -7.700 -19.213 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.316 -8.039 -20.700 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.362 -8.133 -20.461 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.306 -5.944 -21.635 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.485 -5.846 -20.059 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.528 -5.949 -21.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.290 -8.097 -22.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.511 -8.112 -22.887 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.430 -9.514 -22.289 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.787 -9.995 -17.997 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.546 -10.414 -17.360 1.00 0.00 C ATOM 1095 C LEU A 68 -5.458 -11.928 -17.305 1.00 0.00 C ATOM 1096 O LEU A 68 -6.433 -12.603 -16.976 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.470 -9.839 -15.947 1.00 0.00 C ATOM 1098 CG LEU A 68 -5.310 -8.318 -16.015 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.443 -7.748 -14.605 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.931 -7.947 -16.592 1.00 0.00 C ATOM 0 H LEU A 68 -7.446 -9.517 -17.382 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.709 -10.039 -17.949 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.372 -10.095 -15.391 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.630 -10.279 -15.410 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.080 -7.903 -16.665 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.331 -6.664 -14.639 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.424 -7.999 -14.202 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.669 -8.173 -13.966 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.834 -6.862 -16.633 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.148 -8.357 -15.955 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.834 -8.359 -17.597 1.00 0.00 H new ATOM 1112 N GLU A 69 -4.284 -12.462 -17.638 1.00 0.00 N ATOM 1113 CA GLU A 69 -4.099 -13.908 -17.626 1.00 0.00 C ATOM 1114 C GLU A 69 -3.858 -14.395 -16.203 1.00 0.00 C ATOM 1115 O GLU A 69 -2.831 -14.087 -15.587 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.916 -14.300 -18.513 1.00 0.00 C ATOM 1117 CG GLU A 69 -3.216 -13.925 -19.966 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.010 -14.248 -20.843 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -1.051 -14.791 -20.320 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -2.063 -13.945 -22.024 1.00 0.00 O ATOM 0 H GLU A 69 -3.462 -11.925 -17.914 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.004 -14.376 -18.015 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.012 -13.793 -18.175 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.729 -15.371 -18.435 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.091 -14.471 -20.319 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.454 -12.864 -20.036 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.816 -15.164 -15.682 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.712 -15.699 -14.326 1.00 0.00 C ATOM 1129 C VAL A 70 -5.034 -17.183 -14.307 1.00 0.00 C ATOM 1130 O VAL A 70 -5.736 -17.689 -15.182 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.673 -14.960 -13.391 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.225 -13.505 -13.224 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.083 -14.995 -13.987 1.00 0.00 C ATOM 0 H VAL A 70 -5.668 -15.428 -16.177 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.687 -15.555 -13.983 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.672 -15.447 -12.416 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.914 -12.986 -12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.221 -13.480 -12.800 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.220 -13.012 -14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.771 -14.470 -13.325 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.078 -14.510 -14.963 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.405 -16.030 -14.098 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.516 -17.880 -13.297 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.752 -19.320 -13.164 1.00 0.00 C ATOM 1145 C GLU A 71 -4.921 -19.707 -11.698 1.00 0.00 C ATOM 1146 O GLU A 71 -4.186 -19.235 -10.833 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.581 -20.104 -13.759 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.551 -19.910 -15.279 1.00 0.00 C ATOM 1149 CD GLU A 71 -2.365 -20.655 -15.883 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -1.661 -21.315 -15.136 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -2.180 -20.556 -17.085 1.00 0.00 O ATOM 0 H GLU A 71 -3.934 -17.476 -12.563 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.667 -19.563 -13.704 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.643 -19.764 -13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.680 -21.163 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.480 -20.274 -15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.482 -18.848 -15.516 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.891 -20.578 -11.432 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.145 -21.032 -10.068 1.00 0.00 C ATOM 1160 C ALA A 72 -4.983 -21.886 -9.574 1.00 0.00 C ATOM 1161 O ALA A 72 -4.336 -22.579 -10.358 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.439 -21.846 -10.021 1.00 0.00 C ATOM 0 H ALA A 72 -6.509 -20.981 -12.136 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.246 -20.160 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.621 -22.181 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.271 -21.226 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.348 -22.712 -10.676 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.716 -21.829 -8.269 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.617 -22.597 -7.675 1.00 0.00 C ATOM 1170 C VAL A 73 -4.165 -23.671 -6.740 1.00 0.00 C ATOM 1171 O VAL A 73 -5.026 -23.398 -5.904 1.00 0.00 O ATOM 1172 CB VAL A 73 -2.702 -21.664 -6.880 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -1.488 -22.444 -6.374 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.231 -20.528 -7.782 1.00 0.00 C ATOM 0 H VAL A 73 -5.242 -21.262 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.053 -23.072 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.251 -21.256 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.837 -21.777 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.821 -23.259 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.939 -22.853 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.579 -19.862 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.683 -20.940 -8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.094 -19.970 -8.144 1.00 0.00 H new ATOM 1184 N SER A 74 -3.659 -24.893 -6.887 1.00 0.00 N ATOM 1185 CA SER A 74 -4.104 -26.005 -6.050 1.00 0.00 C ATOM 1186 C SER A 74 -2.979 -27.018 -5.863 1.00 0.00 C ATOM 1187 O SER A 74 -3.205 -28.127 -5.382 1.00 0.00 O ATOM 1188 CB SER A 74 -5.308 -26.687 -6.695 1.00 0.00 C ATOM 1189 OG SER A 74 -4.956 -27.115 -8.004 1.00 0.00 O ATOM 0 H SER A 74 -2.945 -25.138 -7.573 1.00 0.00 H new ATOM 0 HA SER A 74 -4.388 -25.613 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.624 -27.539 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.151 -25.998 -6.739 1.00 0.00 H new ATOM 0 HG SER A 74 -5.725 -27.555 -8.422 1.00 0.00 H new ATOM 1195 N SER A 75 -1.768 -26.630 -6.251 1.00 0.00 N ATOM 1196 CA SER A 75 -0.615 -27.515 -6.123 1.00 0.00 C ATOM 1197 C SER A 75 -0.368 -27.856 -4.664 1.00 0.00 C ATOM 1198 O SER A 75 -0.092 -29.008 -4.325 1.00 0.00 O ATOM 1199 CB SER A 75 0.626 -26.852 -6.720 1.00 0.00 C ATOM 1200 OG SER A 75 1.726 -27.748 -6.631 1.00 0.00 O ATOM 0 H SER A 75 -1.560 -25.716 -6.654 1.00 0.00 H new ATOM 0 HA SER A 75 -0.823 -28.436 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.444 -26.584 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.851 -25.928 -6.187 1.00 0.00 H new ATOM 0 HG SER A 75 2.523 -27.326 -7.014 1.00 0.00 H new ATOM 1206 N LEU A 76 -0.476 -26.857 -3.800 1.00 0.00 N ATOM 1207 CA LEU A 76 -0.269 -27.080 -2.379 1.00 0.00 C ATOM 1208 C LEU A 76 1.030 -27.850 -2.149 1.00 0.00 C ATOM 1209 O LEU A 76 1.032 -29.078 -2.078 1.00 0.00 O ATOM 1210 CB LEU A 76 -1.465 -27.873 -1.818 1.00 0.00 C ATOM 1211 CG LEU A 76 -2.592 -26.912 -1.378 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -3.936 -27.645 -1.409 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -2.331 -26.415 0.051 1.00 0.00 C ATOM 0 H LEU A 76 -0.703 -25.896 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.193 -26.121 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.841 -28.561 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.143 -28.478 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.616 -26.063 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.729 -26.965 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.136 -27.996 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.902 -28.497 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.130 -25.738 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.299 -27.266 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.378 -25.888 0.084 1.00 0.00 H new ATOM 1225 N GLU A 77 2.134 -27.113 -2.030 1.00 0.00 N ATOM 1226 CA GLU A 77 3.446 -27.723 -1.803 1.00 0.00 C ATOM 1227 C GLU A 77 4.209 -26.943 -0.744 1.00 0.00 C ATOM 1228 O GLU A 77 4.160 -25.714 -0.706 1.00 0.00 O ATOM 1229 CB GLU A 77 4.248 -27.741 -3.105 1.00 0.00 C ATOM 1230 CG GLU A 77 3.586 -28.702 -4.094 1.00 0.00 C ATOM 1231 CD GLU A 77 4.334 -28.681 -5.422 1.00 0.00 C ATOM 1232 OE1 GLU A 77 5.332 -27.982 -5.507 1.00 0.00 O ATOM 1233 OE2 GLU A 77 3.901 -29.364 -6.335 1.00 0.00 O ATOM 0 H GLU A 77 2.147 -26.095 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 77 3.301 -28.746 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.295 -26.739 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.274 -28.052 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.583 -29.712 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.545 -28.417 -4.249 1.00 0.00 H new ATOM 1240 N HIS A 78 4.913 -27.669 0.121 1.00 0.00 N ATOM 1241 CA HIS A 78 5.691 -27.046 1.191 1.00 0.00 C ATOM 1242 C HIS A 78 7.020 -27.767 1.362 1.00 0.00 C ATOM 1243 O HIS A 78 7.100 -28.984 1.202 1.00 0.00 O ATOM 1244 CB HIS A 78 4.906 -27.100 2.504 1.00 0.00 C ATOM 1245 CG HIS A 78 3.616 -26.341 2.351 1.00 0.00 C ATOM 1246 ND1 HIS A 78 3.576 -24.957 2.281 1.00 0.00 N ATOM 1247 CD2 HIS A 78 2.312 -26.759 2.251 1.00 0.00 C ATOM 1248 CE1 HIS A 78 2.286 -24.595 2.146 1.00 0.00 C ATOM 1249 NE2 HIS A 78 1.475 -25.655 2.121 1.00 0.00 N ATOM 0 H HIS A 78 4.961 -28.688 0.103 1.00 0.00 H new ATOM 0 HA HIS A 78 5.882 -26.006 0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.701 -28.136 2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.499 -26.671 3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.986 -27.788 2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.949 -23.572 2.068 1.00 0.00 H new ATOM 0 HE2 HIS A 78 0.459 -25.656 2.027 1.00 0.00 H new ATOM 1257 N HIS A 79 8.063 -27.007 1.686 1.00 0.00 N ATOM 1258 CA HIS A 79 9.400 -27.575 1.879 1.00 0.00 C ATOM 1259 C HIS A 79 9.838 -27.414 3.329 1.00 0.00 C ATOM 1260 O HIS A 79 9.541 -26.406 3.970 1.00 0.00 O ATOM 1261 CB HIS A 79 10.397 -26.867 0.963 1.00 0.00 C ATOM 1262 CG HIS A 79 10.034 -27.135 -0.473 1.00 0.00 C ATOM 1263 ND1 HIS A 79 10.191 -28.384 -1.054 1.00 0.00 N ATOM 1264 CD2 HIS A 79 9.520 -26.326 -1.456 1.00 0.00 C ATOM 1265 CE1 HIS A 79 9.778 -28.292 -2.331 1.00 0.00 C ATOM 1266 NE2 HIS A 79 9.360 -27.059 -2.629 1.00 0.00 N ATOM 0 H HIS A 79 8.011 -25.997 1.821 1.00 0.00 H new ATOM 0 HA HIS A 79 9.369 -28.637 1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.388 -25.795 1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.408 -27.220 1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.277 -25.280 -1.338 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.784 -29.115 -3.030 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.001 -26.726 -3.524 1.00 0.00 H new ATOM 1274 N HIS A 80 10.546 -28.417 3.844 1.00 0.00 N ATOM 1275 CA HIS A 80 11.025 -28.383 5.223 1.00 0.00 C ATOM 1276 C HIS A 80 12.426 -27.783 5.286 1.00 0.00 C ATOM 1277 O HIS A 80 13.341 -28.247 4.607 1.00 0.00 O ATOM 1278 CB HIS A 80 11.051 -29.799 5.798 1.00 0.00 C ATOM 1279 CG HIS A 80 12.028 -30.639 5.022 1.00 0.00 C ATOM 1280 ND1 HIS A 80 11.704 -31.214 3.803 1.00 0.00 N ATOM 1281 CD2 HIS A 80 13.325 -31.013 5.280 1.00 0.00 C ATOM 1282 CE1 HIS A 80 12.782 -31.896 3.376 1.00 0.00 C ATOM 1283 NE2 HIS A 80 13.799 -31.807 4.240 1.00 0.00 N ATOM 0 H HIS A 80 10.800 -29.260 3.329 1.00 0.00 H new ATOM 0 HA HIS A 80 10.348 -27.763 5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.335 -29.770 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.056 -30.241 5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.890 -30.733 6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.821 -32.448 2.449 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.723 -32.230 4.155 1.00 0.00 H new ATOM 1291 N HIS A 81 12.584 -26.746 6.102 1.00 0.00 N ATOM 1292 CA HIS A 81 13.880 -26.089 6.242 1.00 0.00 C ATOM 1293 C HIS A 81 14.931 -27.074 6.742 1.00 0.00 C ATOM 1294 O HIS A 81 16.043 -27.127 6.217 1.00 0.00 O ATOM 1295 CB HIS A 81 13.766 -24.921 7.223 1.00 0.00 C ATOM 1296 CG HIS A 81 12.960 -23.815 6.598 1.00 0.00 C ATOM 1297 ND1 HIS A 81 13.485 -22.974 5.630 1.00 0.00 N ATOM 1298 CD2 HIS A 81 11.667 -23.398 6.794 1.00 0.00 C ATOM 1299 CE1 HIS A 81 12.522 -22.102 5.283 1.00 0.00 C ATOM 1300 NE2 HIS A 81 11.392 -22.317 5.963 1.00 0.00 N ATOM 0 H HIS A 81 11.839 -26.345 6.672 1.00 0.00 H new ATOM 0 HA HIS A 81 14.186 -25.717 5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 81 13.292 -25.253 8.146 1.00 0.00 H new ATOM 0 HB3 HIS A 81 14.759 -24.557 7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.969 -23.842 7.488 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.647 -21.323 4.545 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.516 -21.800 5.889 1.00 0.00 H new ATOM 1308 N HIS A 82 14.572 -27.853 7.759 1.00 0.00 N ATOM 1309 CA HIS A 82 15.493 -28.837 8.326 1.00 0.00 C ATOM 1310 C HIS A 82 14.723 -30.025 8.893 1.00 0.00 C ATOM 1311 O HIS A 82 13.567 -29.892 9.296 1.00 0.00 O ATOM 1312 CB HIS A 82 16.326 -28.190 9.433 1.00 0.00 C ATOM 1313 CG HIS A 82 17.193 -27.113 8.841 1.00 0.00 C ATOM 1314 ND1 HIS A 82 16.736 -25.818 8.655 1.00 0.00 N ATOM 1315 CD2 HIS A 82 18.489 -27.123 8.390 1.00 0.00 C ATOM 1316 CE1 HIS A 82 17.742 -25.108 8.111 1.00 0.00 C ATOM 1317 NE2 HIS A 82 18.834 -25.856 7.929 1.00 0.00 N ATOM 0 H HIS A 82 13.656 -27.824 8.206 1.00 0.00 H new ATOM 0 HA HIS A 82 16.153 -29.192 7.534 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.672 -27.767 10.196 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.945 -28.941 9.924 1.00 0.00 H new ATOM 0 HD2 HIS A 82 19.142 -27.983 8.392 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.675 -24.061 7.853 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.728 -25.562 7.537 1.00 0.00 H new ATOM 1325 N HIS A 83 15.370 -31.185 8.920 1.00 0.00 N ATOM 1326 CA HIS A 83 14.735 -32.390 9.440 1.00 0.00 C ATOM 1327 C HIS A 83 13.345 -32.566 8.840 1.00 0.00 C ATOM 1328 O HIS A 83 13.244 -33.211 7.809 1.00 0.00 O ATOM 1329 CB HIS A 83 14.628 -32.309 10.965 1.00 0.00 C ATOM 1330 CG HIS A 83 16.004 -32.386 11.569 1.00 0.00 C ATOM 1331 ND1 HIS A 83 16.781 -31.258 11.784 1.00 0.00 N ATOM 1332 CD2 HIS A 83 16.755 -33.448 12.009 1.00 0.00 C ATOM 1333 CE1 HIS A 83 17.942 -31.663 12.331 1.00 0.00 C ATOM 1334 NE2 HIS A 83 17.978 -32.989 12.489 1.00 0.00 N ATOM 1335 OXT HIS A 83 12.401 -32.054 9.420 1.00 0.00 O ATOM 0 H HIS A 83 16.326 -31.316 8.591 1.00 0.00 H new ATOM 0 HA HIS A 83 15.348 -33.248 9.164 1.00 0.00 H new ATOM 0 HB2 HIS A 83 14.142 -31.378 11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.008 -33.123 11.341 1.00 0.00 H new ATOM 0 HD2 HIS A 83 16.444 -34.482 11.986 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.746 -30.997 12.608 1.00 0.00 H new ATOM 0 HE2 HIS A 83 18.739 -33.546 12.878 1.00 0.00 H new TER 1343 HIS A 83