USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 808 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 20 THR OG1 : rot -59:sc= -0.507 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 140:sc= -0.944 USER MOD Single : A 36 SER OG : rot 180:sc= 0.258 USER MOD Single : A 38 ASN : amide:sc= 0.457 K(o=0.46,f=-4.9!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 50 HIS : no HD1:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.946 K(o=-0.95,f=-3.2) USER MOD Single : A 64 HIS : no HD1:sc= -2.05 K(o=-2,f=-0.59) USER MOD Single : A 65 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.32) USER MOD Single : A 66 TYR OH : rot 132:sc= 0.206 USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= -0.462 (180deg=-2.99!) USER MOD Single : A 73 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.034) USER MOD Single : A 76 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.22) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0168 K(o=-0.017,f=-0.57) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD Single : A 92 ASN : amide:sc= -5.68! C(o=-5.7!,f=-3.4!) USER MOD Single : A 95 HIS : no HE2:sc= -3.08 K(o=-3.1,f=-7.8!) USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= -0.0823 (180deg=-0.487) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -47:sc= 0.00208 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.731 60.310 -23.544 1.00 73.32 N ATOM 2 CA GLY A 1 -7.017 59.243 -24.220 1.00 74.42 C ATOM 3 C GLY A 1 -7.773 57.929 -24.189 1.00 41.14 C ATOM 4 O GLY A 1 -8.787 57.774 -24.869 1.00 32.12 O ATOM 0 H1 GLY A 1 -7.173 61.186 -23.593 1.00 73.32 H new ATOM 0 H2 GLY A 1 -8.651 60.459 -24.006 1.00 73.32 H new ATOM 0 H3 GLY A 1 -7.881 60.051 -22.548 1.00 73.32 H new ATOM 0 HA2 GLY A 1 -6.836 59.530 -25.256 1.00 74.42 H new ATOM 0 HA3 GLY A 1 -6.042 59.109 -23.752 1.00 74.42 H new ATOM 8 N ALA A 2 -7.278 56.981 -23.401 1.00 22.42 N ATOM 9 CA ALA A 2 -7.914 55.675 -23.285 1.00 14.31 C ATOM 10 C ALA A 2 -8.280 55.369 -21.837 1.00 21.20 C ATOM 11 O ALA A 2 -8.116 56.211 -20.955 1.00 54.32 O ATOM 12 CB ALA A 2 -7.000 54.592 -23.840 1.00 30.43 C ATOM 0 H ALA A 2 -6.438 57.093 -22.833 1.00 22.42 H new ATOM 0 HA ALA A 2 -8.834 55.694 -23.869 1.00 14.31 H new ATOM 0 HB1 ALA A 2 -7.488 53.622 -23.747 1.00 30.43 H new ATOM 0 HB2 ALA A 2 -6.792 54.795 -24.891 1.00 30.43 H new ATOM 0 HB3 ALA A 2 -6.065 54.583 -23.280 1.00 30.43 H new ATOM 18 N MET A 3 -8.779 54.159 -21.600 1.00 21.15 N ATOM 19 CA MET A 3 -9.168 53.744 -20.258 1.00 32.52 C ATOM 20 C MET A 3 -8.556 52.391 -19.909 1.00 1.14 C ATOM 21 O MET A 3 -8.139 51.641 -20.791 1.00 34.44 O ATOM 22 CB MET A 3 -10.693 53.671 -20.146 1.00 70.51 C ATOM 23 CG MET A 3 -11.332 52.736 -21.159 1.00 63.43 C ATOM 24 SD MET A 3 -11.508 51.053 -20.537 1.00 73.22 S ATOM 25 CE MET A 3 -13.257 50.774 -20.803 1.00 34.44 C ATOM 0 H MET A 3 -8.923 53.450 -22.319 1.00 21.15 H new ATOM 0 HA MET A 3 -8.794 54.485 -19.552 1.00 32.52 H new ATOM 0 HB2 MET A 3 -10.960 53.343 -19.142 1.00 70.51 H new ATOM 0 HB3 MET A 3 -11.107 54.671 -20.275 1.00 70.51 H new ATOM 0 HG2 MET A 3 -12.313 53.122 -21.435 1.00 63.43 H new ATOM 0 HG3 MET A 3 -10.728 52.722 -22.066 1.00 63.43 H new ATOM 0 HE1 MET A 3 -13.521 49.771 -20.467 1.00 34.44 H new ATOM 0 HE2 MET A 3 -13.832 51.509 -20.240 1.00 34.44 H new ATOM 0 HE3 MET A 3 -13.484 50.872 -21.865 1.00 34.44 H new ATOM 35 N GLY A 4 -8.504 52.086 -18.615 1.00 71.02 N ATOM 36 CA GLY A 4 -7.940 50.824 -18.174 1.00 21.21 C ATOM 37 C GLY A 4 -6.440 50.757 -18.377 1.00 32.32 C ATOM 38 O GLY A 4 -5.964 50.148 -19.336 1.00 73.13 O ATOM 0 H GLY A 4 -8.842 52.690 -17.866 1.00 71.02 H new ATOM 0 HA2 GLY A 4 -8.168 50.677 -17.118 1.00 21.21 H new ATOM 0 HA3 GLY A 4 -8.414 50.008 -18.719 1.00 21.21 H new ATOM 42 N ILE A 5 -5.693 51.383 -17.475 1.00 25.33 N ATOM 43 CA ILE A 5 -4.239 51.392 -17.559 1.00 35.52 C ATOM 44 C ILE A 5 -3.639 50.178 -16.858 1.00 41.41 C ATOM 45 O ILE A 5 -4.127 49.750 -15.812 1.00 32.33 O ATOM 46 CB ILE A 5 -3.646 52.672 -16.943 1.00 44.05 C ATOM 47 CG1 ILE A 5 -2.137 52.735 -17.194 1.00 32.31 C ATOM 48 CG2 ILE A 5 -3.943 52.729 -15.452 1.00 63.14 C ATOM 49 CD1 ILE A 5 -1.512 54.054 -16.797 1.00 72.53 C ATOM 0 H ILE A 5 -6.072 51.892 -16.676 1.00 25.33 H new ATOM 0 HA ILE A 5 -3.985 51.358 -18.619 1.00 35.52 H new ATOM 0 HB ILE A 5 -4.110 53.535 -17.420 1.00 44.05 H new ATOM 0 HG12 ILE A 5 -1.651 51.931 -16.641 1.00 32.31 H new ATOM 0 HG13 ILE A 5 -1.945 52.555 -18.252 1.00 32.31 H new ATOM 0 HG21 ILE A 5 -3.517 53.640 -15.031 1.00 63.14 H new ATOM 0 HG22 ILE A 5 -5.022 52.727 -15.296 1.00 63.14 H new ATOM 0 HG23 ILE A 5 -3.503 51.862 -14.960 1.00 63.14 H new ATOM 0 HD11 ILE A 5 -0.442 54.026 -17.003 1.00 72.53 H new ATOM 0 HD12 ILE A 5 -1.971 54.861 -17.369 1.00 72.53 H new ATOM 0 HD13 ILE A 5 -1.672 54.227 -15.733 1.00 72.53 H new ATOM 61 N ARG A 6 -2.578 49.629 -17.441 1.00 74.21 N ATOM 62 CA ARG A 6 -1.911 48.464 -16.870 1.00 35.21 C ATOM 63 C ARG A 6 -0.452 48.402 -17.314 1.00 33.14 C ATOM 64 O ARG A 6 -0.129 48.709 -18.460 1.00 23.44 O ATOM 65 CB ARG A 6 -2.636 47.182 -17.283 1.00 14.54 C ATOM 66 CG ARG A 6 -2.427 46.027 -16.318 1.00 13.20 C ATOM 67 CD ARG A 6 -3.138 46.271 -14.995 1.00 32.21 C ATOM 68 NE ARG A 6 -3.383 45.028 -14.268 1.00 15.01 N ATOM 69 CZ ARG A 6 -3.812 44.984 -13.012 1.00 41.31 C ATOM 70 NH1 ARG A 6 -4.043 46.108 -12.347 1.00 20.30 N1+ ATOM 71 NH2 ARG A 6 -4.012 43.814 -12.418 1.00 20.21 N ATOM 0 H ARG A 6 -2.162 49.971 -18.307 1.00 74.21 H new ATOM 0 HA ARG A 6 -1.939 48.555 -15.784 1.00 35.21 H new ATOM 0 HB2 ARG A 6 -3.703 47.388 -17.364 1.00 14.54 H new ATOM 0 HB3 ARG A 6 -2.293 46.883 -18.274 1.00 14.54 H new ATOM 0 HG2 ARG A 6 -2.797 45.105 -16.767 1.00 13.20 H new ATOM 0 HG3 ARG A 6 -1.361 45.889 -16.139 1.00 13.20 H new ATOM 0 HD2 ARG A 6 -2.537 46.939 -14.378 1.00 32.21 H new ATOM 0 HD3 ARG A 6 -4.086 46.775 -15.181 1.00 32.21 H new ATOM 0 HE ARG A 6 -3.215 44.146 -14.751 1.00 15.01 H new ATOM 0 HH11 ARG A 6 -3.891 47.009 -12.800 1.00 20.30 H new ATOM 0 HH12 ARG A 6 -4.372 46.071 -11.382 1.00 20.30 H new ATOM 0 HH21 ARG A 6 -3.836 42.947 -12.926 1.00 20.21 H new ATOM 0 HH22 ARG A 6 -4.342 43.782 -11.453 1.00 20.21 H new ATOM 85 N ASN A 7 0.423 48.003 -16.397 1.00 22.05 N ATOM 86 CA ASN A 7 1.848 47.901 -16.693 1.00 41.24 C ATOM 87 C ASN A 7 2.467 46.705 -15.978 1.00 31.14 C ATOM 88 O ASN A 7 1.789 45.986 -15.245 1.00 14.33 O ATOM 89 CB ASN A 7 2.568 49.186 -16.281 1.00 62.11 C ATOM 90 CG ASN A 7 2.377 50.305 -17.287 1.00 21.54 C ATOM 91 OD1 ASN A 7 1.628 51.251 -17.044 1.00 44.51 O ATOM 92 ND2 ASN A 7 3.055 50.200 -18.424 1.00 3.12 N ATOM 0 H ASN A 7 0.171 47.745 -15.443 1.00 22.05 H new ATOM 0 HA ASN A 7 1.962 47.758 -17.767 1.00 41.24 H new ATOM 0 HB2 ASN A 7 2.199 49.510 -15.308 1.00 62.11 H new ATOM 0 HB3 ASN A 7 3.633 48.982 -16.167 1.00 62.11 H new ATOM 0 HD21 ASN A 7 2.966 50.922 -19.139 1.00 3.12 H new ATOM 0 HD22 ASN A 7 3.665 49.398 -18.582 1.00 3.12 H new ATOM 99 N SER A 8 3.762 46.499 -16.194 1.00 24.22 N ATOM 100 CA SER A 8 4.475 45.389 -15.573 1.00 22.12 C ATOM 101 C SER A 8 4.504 45.542 -14.056 1.00 52.21 C ATOM 102 O SER A 8 3.925 46.480 -13.505 1.00 13.32 O ATOM 103 CB SER A 8 5.903 45.302 -16.116 1.00 33.23 C ATOM 104 OG SER A 8 5.904 45.056 -17.511 1.00 33.12 O ATOM 0 H SER A 8 4.339 47.087 -16.795 1.00 24.22 H new ATOM 0 HA SER A 8 3.945 44.468 -15.818 1.00 22.12 H new ATOM 0 HB2 SER A 8 6.432 46.232 -15.907 1.00 33.23 H new ATOM 0 HB3 SER A 8 6.443 44.506 -15.603 1.00 33.23 H new ATOM 0 HG SER A 8 6.828 45.007 -17.834 1.00 33.12 H new ATOM 110 N ASP A 9 5.183 44.617 -13.386 1.00 22.51 N ATOM 111 CA ASP A 9 5.290 44.650 -11.932 1.00 21.32 C ATOM 112 C ASP A 9 6.742 44.824 -11.498 1.00 15.34 C ATOM 113 O ASP A 9 7.654 44.797 -12.323 1.00 53.40 O ATOM 114 CB ASP A 9 4.713 43.368 -11.328 1.00 63.52 C ATOM 115 CG ASP A 9 4.128 43.591 -9.948 1.00 15.42 C ATOM 116 OD1 ASP A 9 3.236 44.453 -9.813 1.00 63.00 O ATOM 117 OD2 ASP A 9 4.563 42.901 -9.002 1.00 72.34 O1- ATOM 0 H ASP A 9 5.668 43.835 -13.827 1.00 22.51 H new ATOM 0 HA ASP A 9 4.717 45.503 -11.569 1.00 21.32 H new ATOM 0 HB2 ASP A 9 3.940 42.975 -11.988 1.00 63.52 H new ATOM 0 HB3 ASP A 9 5.497 42.613 -11.270 1.00 63.52 H new ATOM 122 N SER A 10 6.948 45.001 -10.197 1.00 51.35 N ATOM 123 CA SER A 10 8.288 45.185 -9.653 1.00 53.41 C ATOM 124 C SER A 10 8.371 44.659 -8.223 1.00 5.23 C ATOM 125 O SER A 10 7.447 44.837 -7.429 1.00 2.34 O ATOM 126 CB SER A 10 8.678 46.664 -9.687 1.00 3.51 C ATOM 127 OG SER A 10 10.081 46.824 -9.569 1.00 14.25 O ATOM 0 H SER A 10 6.204 45.021 -9.500 1.00 51.35 H new ATOM 0 HA SER A 10 8.984 44.619 -10.272 1.00 53.41 H new ATOM 0 HB2 SER A 10 8.335 47.113 -10.619 1.00 3.51 H new ATOM 0 HB3 SER A 10 8.179 47.194 -8.876 1.00 3.51 H new ATOM 0 HG SER A 10 10.305 47.778 -9.595 1.00 14.25 H new ATOM 133 N VAL A 11 9.484 44.008 -7.903 1.00 42.41 N ATOM 134 CA VAL A 11 9.690 43.456 -6.569 1.00 30.25 C ATOM 135 C VAL A 11 9.838 44.564 -5.532 1.00 41.31 C ATOM 136 O VAL A 11 10.238 45.683 -5.855 1.00 21.42 O ATOM 137 CB VAL A 11 10.937 42.554 -6.521 1.00 54.01 C ATOM 138 CG1 VAL A 11 10.829 41.438 -7.549 1.00 73.13 C ATOM 139 CG2 VAL A 11 12.198 43.375 -6.745 1.00 11.35 C ATOM 0 H VAL A 11 10.257 43.850 -8.549 1.00 42.41 H new ATOM 0 HA VAL A 11 8.809 42.858 -6.335 1.00 30.25 H new ATOM 0 HB VAL A 11 10.997 42.100 -5.532 1.00 54.01 H new ATOM 0 HG11 VAL A 11 11.719 40.811 -7.500 1.00 73.13 H new ATOM 0 HG12 VAL A 11 9.947 40.833 -7.338 1.00 73.13 H new ATOM 0 HG13 VAL A 11 10.743 41.869 -8.546 1.00 73.13 H new ATOM 0 HG21 VAL A 11 13.069 42.721 -6.708 1.00 11.35 H new ATOM 0 HG22 VAL A 11 12.149 43.859 -7.721 1.00 11.35 H new ATOM 0 HG23 VAL A 11 12.281 44.134 -5.967 1.00 11.35 H new ATOM 149 N LYS A 12 9.514 44.246 -4.284 1.00 62.13 N ATOM 150 CA LYS A 12 9.612 45.213 -3.197 1.00 73.34 C ATOM 151 C LYS A 12 10.940 45.071 -2.460 1.00 3.33 C ATOM 152 O LYS A 12 11.613 44.043 -2.538 1.00 14.33 O ATOM 153 CB LYS A 12 8.450 45.030 -2.217 1.00 2.21 C ATOM 154 CG LYS A 12 7.244 45.896 -2.535 1.00 61.00 C ATOM 155 CD LYS A 12 6.578 45.472 -3.833 1.00 54.34 C ATOM 156 CE LYS A 12 5.125 45.919 -3.884 1.00 72.12 C ATOM 157 NZ LYS A 12 4.288 44.990 -4.692 1.00 15.34 N1+ ATOM 0 H LYS A 12 9.181 43.325 -3.999 1.00 62.13 H new ATOM 0 HA LYS A 12 9.561 46.213 -3.628 1.00 73.34 H new ATOM 0 HB2 LYS A 12 8.146 43.983 -2.219 1.00 2.21 H new ATOM 0 HB3 LYS A 12 8.796 45.260 -1.209 1.00 2.21 H new ATOM 0 HG2 LYS A 12 6.525 45.833 -1.719 1.00 61.00 H new ATOM 0 HG3 LYS A 12 7.553 46.939 -2.608 1.00 61.00 H new ATOM 0 HD2 LYS A 12 7.121 45.897 -4.678 1.00 54.34 H new ATOM 0 HD3 LYS A 12 6.630 44.388 -3.933 1.00 54.34 H new ATOM 0 HE2 LYS A 12 4.727 45.978 -2.871 1.00 72.12 H new ATOM 0 HE3 LYS A 12 5.068 46.922 -4.308 1.00 72.12 H new ATOM 0 HZ1 LYS A 12 3.305 45.329 -4.703 1.00 15.34 H new ATOM 0 HZ2 LYS A 12 4.652 44.953 -5.666 1.00 15.34 H new ATOM 0 HZ3 LYS A 12 4.322 44.039 -4.273 1.00 15.34 H new ATOM 171 N PRO A 13 11.326 46.124 -1.725 1.00 65.41 N ATOM 172 CA PRO A 13 12.575 46.139 -0.958 1.00 11.50 C ATOM 173 C PRO A 13 12.531 45.196 0.239 1.00 11.34 C ATOM 174 O PRO A 13 11.498 44.591 0.531 1.00 73.15 O ATOM 175 CB PRO A 13 12.686 47.592 -0.489 1.00 0.34 C ATOM 176 CG PRO A 13 11.282 48.091 -0.466 1.00 53.31 C ATOM 177 CD PRO A 13 10.571 47.381 -1.586 1.00 75.22 C ATOM 0 HA PRO A 13 13.423 45.803 -1.554 1.00 11.50 H new ATOM 0 HB2 PRO A 13 13.145 47.656 0.498 1.00 0.34 H new ATOM 0 HB3 PRO A 13 13.304 48.181 -1.167 1.00 0.34 H new ATOM 0 HG2 PRO A 13 10.808 47.880 0.493 1.00 53.31 H new ATOM 0 HG3 PRO A 13 11.250 49.171 -0.606 1.00 53.31 H new ATOM 0 HD2 PRO A 13 9.524 47.197 -1.345 1.00 75.22 H new ATOM 0 HD3 PRO A 13 10.588 47.964 -2.507 1.00 75.22 H new ATOM 185 N THR A 14 13.660 45.073 0.931 1.00 50.15 N ATOM 186 CA THR A 14 13.751 44.202 2.097 1.00 1.34 C ATOM 187 C THR A 14 12.637 44.499 3.094 1.00 54.32 C ATOM 188 O THR A 14 12.386 45.656 3.430 1.00 63.22 O ATOM 189 CB THR A 14 15.111 44.351 2.804 1.00 4.25 C ATOM 190 OG1 THR A 14 16.055 44.973 1.925 1.00 32.32 O ATOM 191 CG2 THR A 14 15.641 42.996 3.250 1.00 71.31 C ATOM 0 H THR A 14 14.524 45.566 0.704 1.00 50.15 H new ATOM 0 HA THR A 14 13.648 43.179 1.736 1.00 1.34 H new ATOM 0 HB THR A 14 14.970 44.976 3.686 1.00 4.25 H new ATOM 0 HG1 THR A 14 16.917 45.066 2.383 1.00 32.32 H new ATOM 0 HG21 THR A 14 16.602 43.127 3.747 1.00 71.31 H new ATOM 0 HG22 THR A 14 14.934 42.539 3.942 1.00 71.31 H new ATOM 0 HG23 THR A 14 15.767 42.350 2.381 1.00 71.31 H new ATOM 199 N GLN A 15 11.972 43.448 3.562 1.00 40.52 N ATOM 200 CA GLN A 15 10.884 43.599 4.521 1.00 43.15 C ATOM 201 C GLN A 15 11.087 42.681 5.722 1.00 33.21 C ATOM 202 O GLN A 15 12.096 41.982 5.817 1.00 53.53 O ATOM 203 CB GLN A 15 9.542 43.295 3.853 1.00 31.55 C ATOM 204 CG GLN A 15 9.063 44.397 2.922 1.00 43.34 C ATOM 205 CD GLN A 15 7.552 44.480 2.844 1.00 4.04 C ATOM 206 OE1 GLN A 15 6.885 43.523 2.448 1.00 13.04 O ATOM 207 NE2 GLN A 15 7.001 45.628 3.224 1.00 54.10 N ATOM 0 H GLN A 15 12.167 42.484 3.293 1.00 40.52 H new ATOM 0 HA GLN A 15 10.882 44.631 4.871 1.00 43.15 H new ATOM 0 HB2 GLN A 15 9.628 42.366 3.289 1.00 31.55 H new ATOM 0 HB3 GLN A 15 8.790 43.130 4.625 1.00 31.55 H new ATOM 0 HG2 GLN A 15 9.458 45.353 3.264 1.00 43.34 H new ATOM 0 HG3 GLN A 15 9.465 44.224 1.924 1.00 43.34 H new ATOM 0 HE21 GLN A 15 7.591 46.395 3.545 1.00 54.10 H new ATOM 0 HE22 GLN A 15 5.988 45.742 3.194 1.00 54.10 H new ATOM 216 N GLN A 16 10.122 42.687 6.636 1.00 34.12 N ATOM 217 CA GLN A 16 10.195 41.856 7.831 1.00 54.22 C ATOM 218 C GLN A 16 9.551 40.495 7.588 1.00 30.53 C ATOM 219 O GLN A 16 10.234 39.472 7.548 1.00 42.22 O ATOM 220 CB GLN A 16 9.511 42.555 9.007 1.00 60.44 C ATOM 221 CG GLN A 16 9.944 44.000 9.191 1.00 73.51 C ATOM 222 CD GLN A 16 11.378 44.124 9.670 1.00 50.44 C ATOM 223 OE1 GLN A 16 11.993 43.142 10.084 1.00 75.13 O ATOM 224 NE2 GLN A 16 11.918 45.336 9.615 1.00 74.11 N ATOM 0 H GLN A 16 9.280 43.259 6.571 1.00 34.12 H new ATOM 0 HA GLN A 16 11.247 41.702 8.072 1.00 54.22 H new ATOM 0 HB2 GLN A 16 8.431 42.524 8.859 1.00 60.44 H new ATOM 0 HB3 GLN A 16 9.724 42.001 9.922 1.00 60.44 H new ATOM 0 HG2 GLN A 16 9.834 44.531 8.246 1.00 73.51 H new ATOM 0 HG3 GLN A 16 9.282 44.485 9.909 1.00 73.51 H new ATOM 0 HE21 GLN A 16 11.371 46.122 9.264 1.00 74.11 H new ATOM 0 HE22 GLN A 16 12.880 45.480 9.923 1.00 74.11 H new ATOM 233 N ALA A 17 8.232 40.492 7.427 1.00 72.44 N ATOM 234 CA ALA A 17 7.495 39.256 7.187 1.00 21.42 C ATOM 235 C ALA A 17 7.876 38.184 8.201 1.00 22.12 C ATOM 236 O ALA A 17 8.771 37.374 7.956 1.00 4.12 O ATOM 237 CB ALA A 17 7.746 38.760 5.771 1.00 42.13 C ATOM 0 H ALA A 17 7.652 41.330 7.458 1.00 72.44 H new ATOM 0 HA ALA A 17 6.432 39.467 7.304 1.00 21.42 H new ATOM 0 HB1 ALA A 17 7.190 37.837 5.605 1.00 42.13 H new ATOM 0 HB2 ALA A 17 7.417 39.515 5.057 1.00 42.13 H new ATOM 0 HB3 ALA A 17 8.811 38.572 5.635 1.00 42.13 H new ATOM 243 N ARG A 18 7.192 38.184 9.341 1.00 33.52 N ATOM 244 CA ARG A 18 7.460 37.212 10.393 1.00 13.22 C ATOM 245 C ARG A 18 7.087 35.802 9.940 1.00 32.13 C ATOM 246 O ARG A 18 5.996 35.559 9.423 1.00 45.04 O ATOM 247 CB ARG A 18 6.683 37.573 11.661 1.00 74.21 C ATOM 248 CG ARG A 18 7.307 37.025 12.934 1.00 51.14 C ATOM 249 CD ARG A 18 6.802 35.625 13.245 1.00 72.54 C ATOM 250 NE ARG A 18 6.610 35.418 14.678 1.00 24.34 N ATOM 251 CZ ARG A 18 5.870 34.441 15.187 1.00 34.35 C ATOM 252 NH1 ARG A 18 5.254 33.583 14.383 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 5.744 34.316 16.502 1.00 44.41 N ATOM 0 H ARG A 18 6.448 38.847 9.559 1.00 33.52 H new ATOM 0 HA ARG A 18 8.528 37.235 10.610 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.614 38.658 11.738 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.665 37.194 11.573 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.392 37.007 12.830 1.00 51.14 H new ATOM 0 HG3 ARG A 18 7.078 37.689 13.768 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.859 35.456 12.725 1.00 72.54 H new ATOM 0 HD3 ARG A 18 7.512 34.891 12.865 1.00 72.54 H new ATOM 0 HE ARG A 18 7.070 36.060 15.323 1.00 24.34 H new ATOM 0 HH11 ARG A 18 5.349 33.674 13.371 1.00 13.44 H new ATOM 0 HH12 ARG A 18 4.686 32.833 14.777 1.00 13.44 H new ATOM 0 HH21 ARG A 18 6.216 34.972 17.124 1.00 44.41 H new ATOM 0 HH22 ARG A 18 5.175 33.564 16.891 1.00 44.41 H new ATOM 267 N PRO A 19 8.013 34.853 10.136 1.00 42.30 N ATOM 268 CA PRO A 19 7.804 33.453 9.756 1.00 72.54 C ATOM 269 C PRO A 19 6.767 32.761 10.633 1.00 40.44 C ATOM 270 O PRO A 19 6.644 33.060 11.822 1.00 14.01 O ATOM 271 CB PRO A 19 9.184 32.821 9.958 1.00 10.11 C ATOM 272 CG PRO A 19 9.846 33.677 10.981 1.00 63.22 C ATOM 273 CD PRO A 19 9.334 35.072 10.747 1.00 44.21 C ATOM 0 HA PRO A 19 7.422 33.360 8.739 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.101 31.789 10.299 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.752 32.805 9.028 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.606 33.337 11.989 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.931 33.637 10.881 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.258 35.633 11.678 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.993 35.636 10.087 1.00 44.21 H new ATOM 281 N THR A 20 6.021 31.834 10.041 1.00 65.22 N ATOM 282 CA THR A 20 4.993 31.100 10.769 1.00 1.42 C ATOM 283 C THR A 20 5.273 29.602 10.755 1.00 44.04 C ATOM 284 O THR A 20 5.237 28.963 9.702 1.00 14.52 O ATOM 285 CB THR A 20 3.594 31.356 10.176 1.00 74.14 C ATOM 286 OG1 THR A 20 3.469 32.728 9.788 1.00 14.13 O ATOM 287 CG2 THR A 20 2.508 31.007 11.184 1.00 21.30 C ATOM 0 H THR A 20 6.109 31.573 9.059 1.00 65.22 H new ATOM 0 HA THR A 20 5.015 31.461 11.797 1.00 1.42 H new ATOM 0 HB THR A 20 3.473 30.720 9.299 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.610 33.303 10.569 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.529 31.196 10.744 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.588 29.954 11.455 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.629 31.621 12.076 1.00 21.30 H new ATOM 295 N VAL A 21 5.551 29.046 11.929 1.00 72.24 N ATOM 296 CA VAL A 21 5.836 27.621 12.052 1.00 21.13 C ATOM 297 C VAL A 21 4.645 26.871 12.640 1.00 13.22 C ATOM 298 O VAL A 21 4.182 27.187 13.737 1.00 54.24 O ATOM 299 CB VAL A 21 7.074 27.369 12.934 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.900 28.022 14.296 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.331 25.877 13.077 1.00 62.22 C ATOM 0 H VAL A 21 5.585 29.560 12.809 1.00 72.24 H new ATOM 0 HA VAL A 21 6.035 27.250 11.046 1.00 21.13 H new ATOM 0 HB VAL A 21 7.941 27.818 12.451 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.784 27.834 14.905 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.768 29.097 14.170 1.00 41.02 H new ATOM 0 HG13 VAL A 21 6.023 27.604 14.790 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.209 25.717 13.703 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.465 25.401 13.538 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.503 25.441 12.093 1.00 62.22 H new ATOM 311 N ILE A 22 4.157 25.878 11.906 1.00 3.43 N ATOM 312 CA ILE A 22 3.021 25.082 12.356 1.00 12.44 C ATOM 313 C ILE A 22 3.432 23.637 12.616 1.00 32.43 C ATOM 314 O ILE A 22 4.106 23.016 11.795 1.00 24.12 O ATOM 315 CB ILE A 22 1.876 25.102 11.327 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.584 26.537 10.883 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.628 24.457 11.910 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.472 26.640 9.863 1.00 60.50 C ATOM 0 H ILE A 22 4.530 25.605 10.997 1.00 3.43 H new ATOM 0 HA ILE A 22 2.670 25.530 13.285 1.00 12.44 H new ATOM 0 HB ILE A 22 2.183 24.527 10.453 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.320 27.133 11.757 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.492 26.971 10.464 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.172 24.479 11.170 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.845 23.423 12.180 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.316 25.006 12.799 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.320 27.685 9.595 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.741 26.072 8.972 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.448 26.237 10.286 1.00 60.50 H new ATOM 330 N ARG A 23 3.018 23.107 13.763 1.00 11.32 N ATOM 331 CA ARG A 23 3.342 21.735 14.131 1.00 71.41 C ATOM 332 C ARG A 23 2.128 20.827 13.966 1.00 72.25 C ATOM 333 O ARG A 23 1.027 21.160 14.407 1.00 15.13 O ATOM 334 CB ARG A 23 3.843 21.676 15.576 1.00 10.01 C ATOM 335 CG ARG A 23 3.951 20.264 16.127 1.00 51.15 C ATOM 336 CD ARG A 23 4.581 20.252 17.511 1.00 13.14 C ATOM 337 NE ARG A 23 5.968 20.705 17.485 1.00 73.24 N ATOM 338 CZ ARG A 23 6.774 20.665 18.540 1.00 1.22 C ATOM 339 NH1 ARG A 23 6.332 20.195 19.699 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 8.025 21.095 18.439 1.00 60.42 N ATOM 0 H ARG A 23 2.458 23.608 14.453 1.00 11.32 H new ATOM 0 HA ARG A 23 4.131 21.384 13.465 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.821 22.154 15.632 1.00 10.01 H new ATOM 0 HB3 ARG A 23 3.169 22.253 16.209 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.959 19.814 16.174 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.547 19.653 15.450 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.003 20.892 18.178 1.00 13.14 H new ATOM 0 HD3 ARG A 23 4.537 19.243 17.920 1.00 13.14 H new ATOM 0 HE ARG A 23 6.339 21.072 16.609 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.371 19.863 19.782 1.00 61.23 H new ATOM 0 HH12 ARG A 23 6.953 20.165 20.508 1.00 61.23 H new ATOM 0 HH21 ARG A 23 8.370 21.457 17.550 1.00 60.42 H new ATOM 0 HH22 ARG A 23 8.642 21.063 19.250 1.00 60.42 H new ATOM 354 N TRP A 24 2.335 19.680 13.330 1.00 3.23 N ATOM 355 CA TRP A 24 1.256 18.723 13.106 1.00 15.23 C ATOM 356 C TRP A 24 1.454 17.471 13.954 1.00 63.45 C ATOM 357 O TRP A 24 2.507 16.836 13.901 1.00 54.01 O ATOM 358 CB TRP A 24 1.180 18.346 11.626 1.00 72.25 C ATOM 359 CG TRP A 24 0.254 17.201 11.351 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.591 15.881 11.247 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.161 17.273 11.147 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.530 15.129 10.988 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.617 15.959 10.923 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.087 18.319 11.132 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.958 15.667 10.686 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.418 18.027 10.897 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.844 16.710 10.677 1.00 33.23 C ATOM 0 H TRP A 24 3.240 19.389 12.960 1.00 3.23 H new ATOM 0 HA TRP A 24 0.319 19.194 13.402 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.853 19.214 11.054 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.179 18.089 11.272 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.591 15.487 11.353 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.549 14.117 10.864 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.769 19.337 11.301 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.287 14.653 10.515 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.142 18.828 10.883 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.891 16.515 10.497 1.00 33.23 H new ATOM 378 N SER A 25 0.436 17.122 14.733 1.00 32.42 N ATOM 379 CA SER A 25 0.500 15.948 15.595 1.00 61.31 C ATOM 380 C SER A 25 -0.629 14.976 15.272 1.00 1.43 C ATOM 381 O SER A 25 -1.792 15.233 15.584 1.00 0.20 O ATOM 382 CB SER A 25 0.429 16.363 17.065 1.00 74.14 C ATOM 383 OG SER A 25 -0.149 17.649 17.204 1.00 11.02 O ATOM 0 H SER A 25 -0.444 17.636 14.785 1.00 32.42 H new ATOM 0 HA SER A 25 1.450 15.446 15.414 1.00 61.31 H new ATOM 0 HB2 SER A 25 -0.158 15.634 17.624 1.00 74.14 H new ATOM 0 HB3 SER A 25 1.431 16.362 17.495 1.00 74.14 H new ATOM 0 HG SER A 25 -0.185 17.891 18.153 1.00 11.02 H new ATOM 389 N GLU A 26 -0.279 13.856 14.645 1.00 53.04 N ATOM 390 CA GLU A 26 -1.264 12.845 14.280 1.00 60.10 C ATOM 391 C GLU A 26 -0.630 11.458 14.239 1.00 74.23 C ATOM 392 O GLU A 26 -1.217 10.482 14.704 1.00 22.33 O ATOM 393 CB GLU A 26 -1.885 13.175 12.921 1.00 62.15 C ATOM 394 CG GLU A 26 -3.238 12.521 12.696 1.00 12.22 C ATOM 395 CD GLU A 26 -4.292 13.009 13.670 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.753 14.160 13.517 1.00 61.43 O ATOM 397 OE2 GLU A 26 -4.656 12.241 14.586 1.00 23.12 O1- ATOM 0 H GLU A 26 0.679 13.627 14.380 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.046 12.845 15.039 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -1.994 14.256 12.834 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.202 12.859 12.132 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.569 12.722 11.677 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.135 11.440 12.790 1.00 12.22 H new ATOM 404 N GLY A 27 0.573 11.379 13.678 1.00 15.14 N ATOM 405 CA GLY A 27 1.267 10.109 13.585 1.00 4.13 C ATOM 406 C GLY A 27 1.302 9.569 12.169 1.00 73.25 C ATOM 407 O GLY A 27 1.113 8.374 11.949 1.00 40.05 O ATOM 0 H GLY A 27 1.079 12.173 13.286 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.287 10.228 13.950 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.779 9.383 14.235 1.00 4.13 H new ATOM 411 N GLY A 28 1.544 10.453 11.206 1.00 1.41 N ATOM 412 CA GLY A 28 1.597 10.040 9.816 1.00 61.23 C ATOM 413 C GLY A 28 3.017 9.930 9.297 1.00 31.04 C ATOM 414 O GLY A 28 3.970 10.260 10.002 1.00 11.20 O ATOM 0 H GLY A 28 1.704 11.448 11.364 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.098 9.077 9.707 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.045 10.756 9.206 1.00 61.23 H new ATOM 418 N LYS A 29 3.159 9.465 8.061 1.00 2.02 N ATOM 419 CA LYS A 29 4.472 9.311 7.447 1.00 70.24 C ATOM 420 C LYS A 29 4.819 10.527 6.594 1.00 44.33 C ATOM 421 O LYS A 29 5.900 11.101 6.727 1.00 44.34 O ATOM 422 CB LYS A 29 4.511 8.044 6.590 1.00 33.13 C ATOM 423 CG LYS A 29 4.011 6.805 7.311 1.00 54.20 C ATOM 424 CD LYS A 29 2.547 6.537 7.008 1.00 2.42 C ATOM 425 CE LYS A 29 2.149 5.119 7.389 1.00 32.15 C ATOM 426 NZ LYS A 29 2.586 4.127 6.368 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.380 9.188 7.464 1.00 2.02 H new ATOM 0 HA LYS A 29 5.211 9.226 8.244 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.908 8.202 5.696 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.535 7.872 6.258 1.00 33.13 H new ATOM 0 HG2 LYS A 29 4.609 5.944 7.013 1.00 54.20 H new ATOM 0 HG3 LYS A 29 4.144 6.930 8.386 1.00 54.20 H new ATOM 0 HD2 LYS A 29 1.926 7.249 7.552 1.00 2.42 H new ATOM 0 HD3 LYS A 29 2.359 6.696 5.946 1.00 2.42 H new ATOM 0 HE2 LYS A 29 2.589 4.865 8.354 1.00 32.15 H new ATOM 0 HE3 LYS A 29 1.067 5.065 7.508 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.296 3.173 6.664 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 2.147 4.354 5.453 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 3.621 4.160 6.273 1.00 31.05 H new ATOM 440 N GLU A 30 3.896 10.914 5.720 1.00 70.41 N ATOM 441 CA GLU A 30 4.105 12.062 4.846 1.00 31.12 C ATOM 442 C GLU A 30 3.067 13.148 5.116 1.00 62.13 C ATOM 443 O GLU A 30 1.868 12.935 4.937 1.00 50.04 O ATOM 444 CB GLU A 30 4.041 11.633 3.378 1.00 52.54 C ATOM 445 CG GLU A 30 5.009 10.516 3.028 1.00 64.11 C ATOM 446 CD GLU A 30 4.846 10.030 1.601 1.00 64.32 C ATOM 447 OE1 GLU A 30 3.777 9.469 1.284 1.00 41.54 O ATOM 448 OE2 GLU A 30 5.789 10.209 0.802 1.00 24.13 O1- ATOM 0 H GLU A 30 2.996 10.449 5.598 1.00 70.41 H new ATOM 0 HA GLU A 30 5.094 12.469 5.055 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.026 11.309 3.147 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.252 12.496 2.746 1.00 52.54 H new ATOM 0 HG2 GLU A 30 6.031 10.866 3.174 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.857 9.681 3.712 1.00 64.11 H new ATOM 455 N VAL A 31 3.538 14.314 5.547 1.00 74.14 N ATOM 456 CA VAL A 31 2.653 15.434 5.842 1.00 50.44 C ATOM 457 C VAL A 31 3.031 16.664 5.024 1.00 42.45 C ATOM 458 O VAL A 31 4.211 16.978 4.866 1.00 5.15 O ATOM 459 CB VAL A 31 2.685 15.796 7.339 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.678 16.895 7.643 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.417 14.565 8.191 1.00 3.42 C ATOM 0 H VAL A 31 4.528 14.507 5.700 1.00 74.14 H new ATOM 0 HA VAL A 31 1.644 15.119 5.574 1.00 50.44 H new ATOM 0 HB VAL A 31 3.679 16.169 7.584 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.714 17.138 8.705 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.921 17.783 7.059 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.676 16.553 7.383 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.443 14.840 9.246 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.435 14.160 7.946 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.180 13.812 7.993 1.00 3.42 H new ATOM 471 N PHE A 32 2.022 17.357 4.507 1.00 3.30 N ATOM 472 CA PHE A 32 2.250 18.554 3.705 1.00 33.30 C ATOM 473 C PHE A 32 1.312 19.679 4.129 1.00 0.43 C ATOM 474 O PHE A 32 0.419 19.479 4.954 1.00 64.31 O ATOM 475 CB PHE A 32 2.052 18.242 2.220 1.00 54.22 C ATOM 476 CG PHE A 32 2.757 16.995 1.769 1.00 44.23 C ATOM 477 CD1 PHE A 32 4.067 17.046 1.324 1.00 61.04 C ATOM 478 CD2 PHE A 32 2.108 15.770 1.790 1.00 31.12 C ATOM 479 CE1 PHE A 32 4.719 15.900 0.909 1.00 62.11 C ATOM 480 CE2 PHE A 32 2.755 14.620 1.378 1.00 15.41 C ATOM 481 CZ PHE A 32 4.061 14.686 0.935 1.00 40.11 C ATOM 0 H PHE A 32 1.040 17.111 4.629 1.00 3.30 H new ATOM 0 HA PHE A 32 3.277 18.881 3.868 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.986 18.140 2.018 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.409 19.085 1.629 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.586 17.993 1.301 1.00 61.04 H new ATOM 0 HD2 PHE A 32 1.085 15.714 2.132 1.00 31.12 H new ATOM 0 HE1 PHE A 32 5.741 15.954 0.565 1.00 62.11 H new ATOM 0 HE2 PHE A 32 2.240 13.671 1.403 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.567 13.789 0.609 1.00 40.11 H new ATOM 491 N ILE A 33 1.521 20.862 3.561 1.00 13.34 N ATOM 492 CA ILE A 33 0.694 22.019 3.879 1.00 72.44 C ATOM 493 C ILE A 33 0.514 22.919 2.662 1.00 11.41 C ATOM 494 O ILE A 33 1.442 23.108 1.874 1.00 13.30 O ATOM 495 CB ILE A 33 1.301 22.845 5.029 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.409 24.047 5.349 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.706 23.302 4.668 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.796 24.763 6.624 1.00 0.14 C ATOM 0 H ILE A 33 2.256 21.044 2.878 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.278 21.636 4.190 1.00 72.44 H new ATOM 0 HB ILE A 33 1.362 22.215 5.917 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.451 24.752 4.519 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.625 23.711 5.430 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.122 23.884 5.490 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.336 22.432 4.485 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.669 23.918 3.770 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.122 25.604 6.788 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.727 24.072 7.465 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.819 25.130 6.539 1.00 0.14 H new ATOM 510 N SER A 34 -0.684 23.474 2.514 1.00 74.21 N ATOM 511 CA SER A 34 -0.987 24.353 1.390 1.00 21.11 C ATOM 512 C SER A 34 -2.039 25.388 1.778 1.00 75.54 C ATOM 513 O SER A 34 -3.005 25.076 2.472 1.00 75.43 O ATOM 514 CB SER A 34 -1.474 23.536 0.192 1.00 25.35 C ATOM 515 OG SER A 34 -0.816 22.283 0.128 1.00 52.43 O ATOM 0 H SER A 34 -1.462 23.331 3.158 1.00 74.21 H new ATOM 0 HA SER A 34 -0.072 24.877 1.114 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.550 23.382 0.267 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.295 24.092 -0.728 1.00 25.35 H new ATOM 0 HG SER A 34 -1.458 21.589 -0.130 1.00 52.43 H new ATOM 521 N GLY A 35 -1.843 26.622 1.323 1.00 54.31 N ATOM 522 CA GLY A 35 -2.782 27.684 1.631 1.00 42.32 C ATOM 523 C GLY A 35 -2.666 28.856 0.676 1.00 45.21 C ATOM 524 O GLY A 35 -1.975 28.772 -0.339 1.00 21.03 O ATOM 0 H GLY A 35 -1.050 26.905 0.747 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.797 27.289 1.595 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.611 28.031 2.650 1.00 42.32 H new ATOM 528 N SER A 36 -3.344 29.951 1.002 1.00 75.24 N ATOM 529 CA SER A 36 -3.319 31.143 0.163 1.00 34.33 C ATOM 530 C SER A 36 -1.937 31.788 0.176 1.00 71.13 C ATOM 531 O SER A 36 -1.629 32.644 -0.654 1.00 4.31 O ATOM 532 CB SER A 36 -4.368 32.150 0.639 1.00 65.34 C ATOM 533 OG SER A 36 -4.230 32.415 2.024 1.00 13.12 O ATOM 0 H SER A 36 -3.917 30.038 1.841 1.00 75.24 H new ATOM 0 HA SER A 36 -3.551 30.842 -0.859 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.267 33.078 0.076 1.00 65.34 H new ATOM 0 HB3 SER A 36 -5.367 31.762 0.438 1.00 65.34 H new ATOM 0 HG SER A 36 -4.911 33.063 2.303 1.00 13.12 H new ATOM 539 N PHE A 37 -1.106 31.370 1.125 1.00 23.10 N ATOM 540 CA PHE A 37 0.245 31.906 1.250 1.00 11.12 C ATOM 541 C PHE A 37 1.138 31.398 0.122 1.00 50.51 C ATOM 542 O PHE A 37 2.173 31.989 -0.179 1.00 73.12 O ATOM 543 CB PHE A 37 0.846 31.524 2.604 1.00 22.03 C ATOM 544 CG PHE A 37 0.948 30.040 2.817 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.054 29.337 2.366 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.061 29.349 3.466 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.151 27.972 2.561 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.030 27.984 3.664 1.00 63.12 C ATOM 549 CZ PHE A 37 1.137 27.295 3.209 1.00 45.15 C ATOM 0 H PHE A 37 -1.344 30.662 1.819 1.00 23.10 H new ATOM 0 HA PHE A 37 0.186 32.992 1.181 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.839 31.964 2.689 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.237 31.956 3.398 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.849 29.861 1.857 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.930 29.883 3.822 1.00 4.33 H new ATOM 0 HE1 PHE A 37 3.019 27.436 2.207 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.763 27.457 4.174 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.209 26.228 3.360 1.00 45.15 H new ATOM 559 N ASN A 38 0.728 30.295 -0.497 1.00 22.03 N ATOM 560 CA ASN A 38 1.491 29.704 -1.591 1.00 73.21 C ATOM 561 C ASN A 38 0.627 29.555 -2.838 1.00 65.12 C ATOM 562 O ASN A 38 0.964 28.805 -3.754 1.00 33.34 O ATOM 563 CB ASN A 38 2.048 28.341 -1.175 1.00 74.54 C ATOM 564 CG ASN A 38 1.034 27.227 -1.349 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.059 27.136 -0.602 1.00 32.13 O ATOM 566 ND2 ASN A 38 1.260 26.370 -2.337 1.00 70.32 N ATOM 0 H ASN A 38 -0.128 29.793 -0.260 1.00 22.03 H new ATOM 0 HA ASN A 38 2.321 30.371 -1.824 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.935 28.117 -1.768 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.363 28.383 -0.132 1.00 74.54 H new ATOM 0 HD21 ASN A 38 0.613 25.599 -2.501 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.081 26.483 -2.932 1.00 70.32 H new ATOM 573 N ASN A 39 -0.491 30.273 -2.867 1.00 74.22 N ATOM 574 CA ASN A 39 -1.406 30.220 -4.002 1.00 43.44 C ATOM 575 C ASN A 39 -1.937 28.804 -4.207 1.00 54.22 C ATOM 576 O ASN A 39 -2.418 28.462 -5.287 1.00 61.41 O ATOM 577 CB ASN A 39 -0.703 30.702 -5.272 1.00 4.25 C ATOM 578 CG ASN A 39 -1.649 31.406 -6.226 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.262 32.414 -5.878 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.772 30.874 -7.437 1.00 32.44 N ATOM 0 H ASN A 39 -0.785 30.899 -2.117 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.249 30.878 -3.789 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.106 31.380 -5.001 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.249 29.850 -5.778 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.395 31.303 -8.122 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -1.244 30.037 -7.682 1.00 32.44 H new ATOM 587 N TRP A 40 -1.848 27.989 -3.163 1.00 11.01 N ATOM 588 CA TRP A 40 -2.320 26.610 -3.228 1.00 32.51 C ATOM 589 C TRP A 40 -1.732 25.889 -4.436 1.00 23.40 C ATOM 590 O TRP A 40 -2.353 24.986 -4.994 1.00 14.41 O ATOM 591 CB TRP A 40 -3.848 26.576 -3.293 1.00 1.54 C ATOM 592 CG TRP A 40 -4.507 27.409 -2.235 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.681 28.764 -2.249 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.075 26.942 -1.007 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.325 29.167 -1.103 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.577 28.068 -0.325 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.211 25.683 -0.417 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.203 27.969 0.915 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.831 25.586 0.814 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.322 26.724 1.468 1.00 71.30 C ATOM 0 H TRP A 40 -1.454 28.258 -2.262 1.00 11.01 H new ATOM 0 HA TRP A 40 -1.989 26.096 -2.326 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.171 26.926 -4.274 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.186 25.544 -3.196 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.360 29.422 -3.043 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.575 30.128 -0.870 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.838 24.800 -0.915 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.581 28.844 1.422 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.939 24.618 1.280 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.804 26.616 2.428 1.00 71.30 H new ATOM 611 N SER A 41 -0.529 26.294 -4.833 1.00 74.51 N ATOM 612 CA SER A 41 0.141 25.688 -5.978 1.00 24.05 C ATOM 613 C SER A 41 0.659 24.297 -5.629 1.00 42.45 C ATOM 614 O SER A 41 0.132 23.288 -6.101 1.00 72.12 O ATOM 615 CB SER A 41 1.298 26.574 -6.445 1.00 64.43 C ATOM 616 OG SER A 41 1.888 26.061 -7.627 1.00 75.12 O ATOM 0 H SER A 41 0.001 27.038 -4.379 1.00 74.51 H new ATOM 0 HA SER A 41 -0.585 25.594 -6.786 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.935 27.586 -6.625 1.00 64.43 H new ATOM 0 HB3 SER A 41 2.050 26.640 -5.659 1.00 64.43 H new ATOM 0 HG SER A 41 2.623 26.646 -7.906 1.00 75.12 H new ATOM 622 N THR A 42 1.697 24.249 -4.800 1.00 73.54 N ATOM 623 CA THR A 42 2.289 22.982 -4.389 1.00 45.04 C ATOM 624 C THR A 42 2.289 22.843 -2.870 1.00 34.20 C ATOM 625 O THR A 42 2.598 23.791 -2.149 1.00 34.44 O ATOM 626 CB THR A 42 3.733 22.842 -4.905 1.00 1.10 C ATOM 627 OG1 THR A 42 4.293 21.599 -4.466 1.00 15.30 O ATOM 628 CG2 THR A 42 4.597 23.994 -4.415 1.00 52.41 C ATOM 0 H THR A 42 2.145 25.073 -4.400 1.00 73.54 H new ATOM 0 HA THR A 42 1.678 22.192 -4.825 1.00 45.04 H new ATOM 0 HB THR A 42 3.709 22.864 -5.995 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.211 21.518 -4.800 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.612 23.873 -4.792 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.185 24.937 -4.776 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.613 23.999 -3.325 1.00 52.41 H new ATOM 636 N LYS A 43 1.940 21.654 -2.390 1.00 53.21 N ATOM 637 CA LYS A 43 1.901 21.388 -0.957 1.00 62.12 C ATOM 638 C LYS A 43 3.311 21.272 -0.388 1.00 0.51 C ATOM 639 O LYS A 43 4.075 20.386 -0.771 1.00 42.43 O ATOM 640 CB LYS A 43 1.119 20.103 -0.677 1.00 42.01 C ATOM 641 CG LYS A 43 1.689 18.879 -1.372 1.00 13.53 C ATOM 642 CD LYS A 43 0.608 17.858 -1.681 1.00 24.00 C ATOM 643 CE LYS A 43 1.041 16.902 -2.781 1.00 21.13 C ATOM 644 NZ LYS A 43 1.878 15.790 -2.253 1.00 63.23 N1+ ATOM 0 H LYS A 43 1.680 20.859 -2.973 1.00 53.21 H new ATOM 0 HA LYS A 43 1.399 22.224 -0.470 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.103 19.925 0.398 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.085 20.241 -0.993 1.00 42.01 H new ATOM 0 HG2 LYS A 43 2.180 19.181 -2.297 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.451 18.423 -0.740 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.371 17.293 -0.779 1.00 24.00 H new ATOM 0 HD3 LYS A 43 -0.304 18.373 -1.983 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.159 16.491 -3.272 1.00 21.13 H new ATOM 0 HE3 LYS A 43 1.601 17.450 -3.538 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 2.152 15.161 -3.034 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 2.732 16.180 -1.806 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.335 15.251 -1.549 1.00 63.23 H new ATOM 658 N ILE A 44 3.649 22.171 0.531 1.00 50.11 N ATOM 659 CA ILE A 44 4.966 22.167 1.155 1.00 75.21 C ATOM 660 C ILE A 44 5.104 21.011 2.142 1.00 20.24 C ATOM 661 O ILE A 44 4.237 20.775 2.983 1.00 14.21 O ATOM 662 CB ILE A 44 5.245 23.491 1.891 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.651 24.578 0.894 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.328 23.294 2.941 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.225 25.969 1.309 1.00 74.32 C ATOM 0 H ILE A 44 3.029 22.911 0.860 1.00 50.11 H new ATOM 0 HA ILE A 44 5.694 22.046 0.353 1.00 75.21 H new ATOM 0 HB ILE A 44 4.332 23.810 2.395 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.734 24.560 0.771 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.216 24.349 -0.079 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.514 24.238 3.453 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.002 22.547 3.665 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.245 22.955 2.459 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.546 26.688 0.555 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.140 26.004 1.404 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.682 26.219 2.267 1.00 74.32 H new ATOM 677 N PRO A 45 6.220 20.274 2.038 1.00 42.30 N ATOM 678 CA PRO A 45 6.499 19.132 2.914 1.00 74.53 C ATOM 679 C PRO A 45 6.797 19.561 4.347 1.00 40.33 C ATOM 680 O PRO A 45 7.675 20.391 4.587 1.00 40.12 O ATOM 681 CB PRO A 45 7.735 18.492 2.278 1.00 11.42 C ATOM 682 CG PRO A 45 8.401 19.603 1.541 1.00 55.22 C ATOM 683 CD PRO A 45 7.295 20.499 1.058 1.00 3.34 C ATOM 0 HA PRO A 45 5.646 18.458 2.991 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.395 18.068 3.035 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.458 17.680 1.605 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.088 20.146 2.190 1.00 55.22 H new ATOM 0 HG3 PRO A 45 8.987 19.221 0.705 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.605 21.544 1.035 1.00 3.34 H new ATOM 0 HD3 PRO A 45 6.979 20.238 0.048 1.00 3.34 H new ATOM 691 N LEU A 46 6.062 18.990 5.295 1.00 54.51 N ATOM 692 CA LEU A 46 6.249 19.313 6.706 1.00 11.22 C ATOM 693 C LEU A 46 7.444 18.560 7.282 1.00 63.13 C ATOM 694 O LEU A 46 7.399 17.341 7.452 1.00 34.03 O ATOM 695 CB LEU A 46 4.986 18.972 7.498 1.00 1.32 C ATOM 696 CG LEU A 46 4.239 20.156 8.112 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.497 20.934 7.037 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.275 19.678 9.188 1.00 1.43 C ATOM 0 H LEU A 46 5.332 18.302 5.113 1.00 54.51 H new ATOM 0 HA LEU A 46 6.444 20.382 6.787 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.301 18.438 6.839 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.258 18.285 8.299 1.00 1.32 H new ATOM 0 HG LEU A 46 4.968 20.821 8.575 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.971 21.773 7.493 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.209 21.308 6.302 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.778 20.279 6.545 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.752 20.534 9.614 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.551 18.992 8.749 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.831 19.165 9.973 1.00 1.43 H new ATOM 710 N ILE A 47 8.509 19.294 7.583 1.00 41.44 N ATOM 711 CA ILE A 47 9.714 18.696 8.145 1.00 1.41 C ATOM 712 C ILE A 47 9.392 17.874 9.388 1.00 65.02 C ATOM 713 O ILE A 47 8.869 18.395 10.372 1.00 61.11 O ATOM 714 CB ILE A 47 10.758 19.770 8.510 1.00 11.35 C ATOM 715 CG1 ILE A 47 11.061 20.650 7.295 1.00 2.10 C ATOM 716 CG2 ILE A 47 12.031 19.117 9.028 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.584 19.878 6.105 1.00 52.21 C ATOM 0 H ILE A 47 8.563 20.304 7.447 1.00 41.44 H new ATOM 0 HA ILE A 47 10.129 18.043 7.378 1.00 1.41 H new ATOM 0 HB ILE A 47 10.349 20.400 9.300 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.153 21.179 7.004 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.794 21.406 7.578 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.758 19.888 9.281 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.802 18.528 9.916 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.445 18.466 8.258 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.777 20.566 5.281 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.509 19.371 6.378 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.844 19.140 5.796 1.00 52.21 H new ATOM 729 N LYS A 48 9.711 16.585 9.337 1.00 55.44 N ATOM 730 CA LYS A 48 9.459 15.689 10.458 1.00 2.01 C ATOM 731 C LYS A 48 10.514 15.869 11.546 1.00 4.04 C ATOM 732 O LYS A 48 11.701 15.638 11.317 1.00 74.51 O ATOM 733 CB LYS A 48 9.444 14.234 9.983 1.00 32.12 C ATOM 734 CG LYS A 48 8.757 13.286 10.950 1.00 21.33 C ATOM 735 CD LYS A 48 8.596 11.899 10.350 1.00 65.24 C ATOM 736 CE LYS A 48 7.733 11.008 11.230 1.00 55.25 C ATOM 737 NZ LYS A 48 8.538 10.305 12.267 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.145 16.138 8.530 1.00 55.44 H new ATOM 0 HA LYS A 48 8.484 15.937 10.877 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.942 14.181 9.017 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.470 13.901 9.828 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.337 13.220 11.871 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.778 13.684 11.218 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.147 11.979 9.360 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.577 11.442 10.219 1.00 65.24 H new ATOM 0 HE2 LYS A 48 6.964 11.611 11.714 1.00 55.25 H new ATOM 0 HE3 LYS A 48 7.219 10.274 10.610 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 7.913 9.708 12.846 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 9.255 9.710 11.805 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.008 11.005 12.875 1.00 34.55 H new ATOM 751 N SER A 49 10.073 16.281 12.730 1.00 14.13 N ATOM 752 CA SER A 49 10.980 16.494 13.851 1.00 33.35 C ATOM 753 C SER A 49 11.090 15.236 14.708 1.00 3.20 C ATOM 754 O SER A 49 10.512 14.198 14.383 1.00 64.42 O ATOM 755 CB SER A 49 10.499 17.667 14.708 1.00 31.23 C ATOM 756 OG SER A 49 11.576 18.256 15.416 1.00 51.25 O ATOM 0 H SER A 49 9.093 16.474 12.938 1.00 14.13 H new ATOM 0 HA SER A 49 11.966 16.727 13.449 1.00 33.35 H new ATOM 0 HB2 SER A 49 10.025 18.415 14.073 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.743 17.321 15.412 1.00 31.23 H new ATOM 0 HG SER A 49 11.243 19.004 15.955 1.00 51.25 H new ATOM 762 N HIS A 50 11.835 15.336 15.804 1.00 0.54 N ATOM 763 CA HIS A 50 12.021 14.208 16.708 1.00 22.21 C ATOM 764 C HIS A 50 10.758 13.951 17.524 1.00 65.22 C ATOM 765 O HIS A 50 10.539 12.845 18.015 1.00 14.41 O ATOM 766 CB HIS A 50 13.204 14.465 17.643 1.00 63.12 C ATOM 767 CG HIS A 50 13.620 13.260 18.429 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.273 13.340 19.641 1.00 33.13 N ATOM 769 CD2 HIS A 50 13.470 11.940 18.170 1.00 30.03 C ATOM 770 CE1 HIS A 50 14.508 12.122 20.092 1.00 63.42 C ATOM 771 NE2 HIS A 50 14.030 11.253 19.219 1.00 44.14 N ATOM 0 H HIS A 50 12.320 16.188 16.087 1.00 0.54 H new ATOM 0 HA HIS A 50 12.229 13.323 16.106 1.00 22.21 H new ATOM 0 HB2 HIS A 50 14.052 14.815 17.054 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.943 15.267 18.334 1.00 63.12 H new ATOM 0 HD2 HIS A 50 12.998 11.508 17.300 1.00 30.03 H new ATOM 0 HE1 HIS A 50 15.007 11.877 21.018 1.00 63.42 H new ATOM 0 HE2 HIS A 50 14.070 10.238 19.309 1.00 44.14 H new ATOM 779 N ASN A 51 9.932 14.983 17.665 1.00 43.20 N ATOM 780 CA ASN A 51 8.691 14.869 18.424 1.00 41.32 C ATOM 781 C ASN A 51 7.492 14.734 17.489 1.00 42.34 C ATOM 782 O ASN A 51 6.707 13.792 17.602 1.00 61.52 O ATOM 783 CB ASN A 51 8.509 16.088 19.330 1.00 24.42 C ATOM 784 CG ASN A 51 8.862 17.387 18.631 1.00 75.52 C ATOM 785 OD1 ASN A 51 8.011 18.018 18.005 1.00 63.21 O ATOM 786 ND2 ASN A 51 10.123 17.792 18.735 1.00 63.41 N ATOM 0 H ASN A 51 10.099 15.906 17.265 1.00 43.20 H new ATOM 0 HA ASN A 51 8.753 13.972 19.040 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.475 16.132 19.672 1.00 24.42 H new ATOM 0 HB3 ASN A 51 9.133 15.975 20.217 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.419 18.658 18.285 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.795 17.237 19.264 1.00 63.41 H new ATOM 793 N ASP A 52 7.359 15.681 16.567 1.00 25.42 N ATOM 794 CA ASP A 52 6.258 15.667 15.611 1.00 63.14 C ATOM 795 C ASP A 52 6.636 16.413 14.336 1.00 70.31 C ATOM 796 O ASP A 52 7.785 16.823 14.161 1.00 74.35 O ATOM 797 CB ASP A 52 5.008 16.294 16.230 1.00 51.42 C ATOM 798 CG ASP A 52 4.545 15.557 17.472 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.956 14.465 17.328 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.770 16.072 18.588 1.00 34.01 O ATOM 0 H ASP A 52 8.000 16.468 16.461 1.00 25.42 H new ATOM 0 HA ASP A 52 6.046 14.629 15.355 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.214 17.334 16.484 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.205 16.299 15.493 1.00 51.42 H new ATOM 805 N PHE A 53 5.664 16.583 13.445 1.00 51.12 N ATOM 806 CA PHE A 53 5.896 17.278 12.183 1.00 12.33 C ATOM 807 C PHE A 53 5.831 18.791 12.375 1.00 22.10 C ATOM 808 O PHE A 53 5.053 19.292 13.187 1.00 32.20 O ATOM 809 CB PHE A 53 4.868 16.840 11.140 1.00 64.40 C ATOM 810 CG PHE A 53 5.071 15.435 10.650 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.932 15.172 9.596 1.00 54.43 C ATOM 812 CD2 PHE A 53 4.403 14.375 11.244 1.00 54.52 C ATOM 813 CE1 PHE A 53 6.121 13.880 9.143 1.00 14.33 C ATOM 814 CE2 PHE A 53 4.588 13.082 10.795 1.00 21.11 C ATOM 815 CZ PHE A 53 5.449 12.833 9.743 1.00 53.35 C ATOM 0 H PHE A 53 4.709 16.249 13.573 1.00 51.12 H new ATOM 0 HA PHE A 53 6.894 17.017 11.831 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.869 16.926 11.568 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.911 17.522 10.291 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.461 15.986 9.123 1.00 54.43 H new ATOM 0 HD2 PHE A 53 3.730 14.563 12.068 1.00 54.52 H new ATOM 0 HE1 PHE A 53 6.794 13.689 8.320 1.00 14.33 H new ATOM 0 HE2 PHE A 53 4.060 12.266 11.266 1.00 21.11 H new ATOM 0 HZ PHE A 53 5.596 11.823 9.391 1.00 53.35 H new ATOM 825 N VAL A 54 6.654 19.512 11.622 1.00 33.42 N ATOM 826 CA VAL A 54 6.690 20.967 11.706 1.00 40.41 C ATOM 827 C VAL A 54 7.114 21.586 10.379 1.00 3.45 C ATOM 828 O VAL A 54 7.920 21.014 9.646 1.00 74.24 O ATOM 829 CB VAL A 54 7.653 21.441 12.812 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.076 21.144 14.187 1.00 24.21 C ATOM 831 CG2 VAL A 54 9.018 20.787 12.644 1.00 4.44 C ATOM 0 H VAL A 54 7.305 19.112 10.946 1.00 33.42 H new ATOM 0 HA VAL A 54 5.679 21.294 11.948 1.00 40.41 H new ATOM 0 HB VAL A 54 7.778 22.520 12.724 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.770 21.486 14.955 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.124 21.662 14.302 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.919 20.070 14.292 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.686 21.132 13.433 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.913 19.704 12.706 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.433 21.056 11.673 1.00 4.44 H new ATOM 841 N ALA A 55 6.565 22.757 10.076 1.00 33.42 N ATOM 842 CA ALA A 55 6.887 23.454 8.838 1.00 64.34 C ATOM 843 C ALA A 55 6.954 24.961 9.057 1.00 43.12 C ATOM 844 O ALA A 55 5.967 25.586 9.446 1.00 20.33 O ATOM 845 CB ALA A 55 5.863 23.121 7.762 1.00 75.11 C ATOM 0 H ALA A 55 5.895 23.243 10.672 1.00 33.42 H new ATOM 0 HA ALA A 55 7.869 23.117 8.507 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.116 23.649 6.843 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.866 22.047 7.576 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.872 23.428 8.095 1.00 75.11 H new ATOM 851 N ILE A 56 8.124 25.540 8.807 1.00 4.32 N ATOM 852 CA ILE A 56 8.318 26.974 8.978 1.00 62.15 C ATOM 853 C ILE A 56 8.050 27.725 7.678 1.00 1.24 C ATOM 854 O ILE A 56 8.887 27.744 6.776 1.00 41.11 O ATOM 855 CB ILE A 56 9.746 27.296 9.458 1.00 74.20 C ATOM 856 CG1 ILE A 56 10.061 26.529 10.744 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.908 28.793 9.674 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.793 25.227 10.507 1.00 22.53 C ATOM 0 H ILE A 56 8.951 25.038 8.485 1.00 4.32 H new ATOM 0 HA ILE A 56 7.606 27.300 9.736 1.00 62.15 H new ATOM 0 HB ILE A 56 10.451 26.982 8.688 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.663 27.161 11.396 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.130 26.322 11.271 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.922 29.004 10.013 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.722 29.318 8.737 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.196 29.131 10.427 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.983 24.737 11.462 1.00 22.53 H new ATOM 0 HD12 ILE A 56 10.184 24.576 9.880 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.741 25.428 10.007 1.00 22.53 H new ATOM 870 N LEU A 57 6.877 28.342 7.590 1.00 53.34 N ATOM 871 CA LEU A 57 6.497 29.097 6.400 1.00 41.32 C ATOM 872 C LEU A 57 6.959 30.546 6.504 1.00 4.44 C ATOM 873 O LEU A 57 7.471 30.973 7.540 1.00 25.01 O ATOM 874 CB LEU A 57 4.981 29.045 6.203 1.00 22.14 C ATOM 875 CG LEU A 57 4.339 27.660 6.291 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.872 27.776 6.675 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.491 26.916 4.973 1.00 54.43 C ATOM 0 H LEU A 57 6.173 28.335 8.328 1.00 53.34 H new ATOM 0 HA LEU A 57 6.985 28.641 5.539 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.516 29.687 6.951 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.747 29.470 5.227 1.00 22.14 H new ATOM 0 HG LEU A 57 4.852 27.091 7.066 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.431 26.781 6.733 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.787 28.267 7.644 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.344 28.363 5.923 1.00 62.22 H new ATOM 0 HD21 LEU A 57 4.028 25.933 5.055 1.00 54.43 H new ATOM 0 HD22 LEU A 57 4.004 27.481 4.178 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.550 26.800 4.740 1.00 54.43 H new ATOM 889 N ASP A 58 6.773 31.300 5.427 1.00 22.22 N ATOM 890 CA ASP A 58 7.167 32.703 5.398 1.00 23.10 C ATOM 891 C ASP A 58 5.995 33.589 4.985 1.00 53.11 C ATOM 892 O ASP A 58 5.645 33.664 3.807 1.00 71.11 O ATOM 893 CB ASP A 58 8.339 32.906 4.436 1.00 60.34 C ATOM 894 CG ASP A 58 9.447 31.894 4.652 1.00 4.33 C ATOM 895 OD1 ASP A 58 9.333 30.769 4.122 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 10.427 32.227 5.350 1.00 31.41 O ATOM 0 H ASP A 58 6.351 30.963 4.562 1.00 22.22 H new ATOM 0 HA ASP A 58 7.478 32.988 6.403 1.00 23.10 H new ATOM 0 HB2 ASP A 58 7.980 32.833 3.410 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.740 33.912 4.563 1.00 60.34 H new ATOM 901 N LEU A 59 5.392 34.256 5.962 1.00 12.41 N ATOM 902 CA LEU A 59 4.258 35.136 5.701 1.00 61.11 C ATOM 903 C LEU A 59 4.555 36.559 6.164 1.00 53.10 C ATOM 904 O LEU A 59 5.371 36.791 7.057 1.00 43.12 O ATOM 905 CB LEU A 59 3.007 34.610 6.406 1.00 61.24 C ATOM 906 CG LEU A 59 2.890 33.090 6.519 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.582 32.703 7.192 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.997 32.442 5.146 1.00 1.12 C ATOM 0 H LEU A 59 5.669 34.205 6.942 1.00 12.41 H new ATOM 0 HA LEU A 59 4.082 35.152 4.625 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.975 35.032 7.410 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.131 34.983 5.875 1.00 61.24 H new ATOM 0 HG LEU A 59 3.713 32.727 7.135 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.517 31.617 7.263 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.546 33.135 8.192 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.745 33.079 6.604 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.912 31.360 5.247 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.196 32.811 4.506 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.961 32.690 4.701 1.00 1.12 H new ATOM 920 N PRO A 60 3.877 37.537 5.546 1.00 72.34 N ATOM 921 CA PRO A 60 4.049 38.954 5.880 1.00 43.15 C ATOM 922 C PRO A 60 3.485 39.298 7.254 1.00 50.24 C ATOM 923 O PRO A 60 4.207 39.291 8.250 1.00 44.12 O ATOM 924 CB PRO A 60 3.263 39.675 4.783 1.00 2.43 C ATOM 925 CG PRO A 60 2.244 38.686 4.334 1.00 40.55 C ATOM 926 CD PRO A 60 2.890 37.334 4.472 1.00 50.31 C ATOM 0 HA PRO A 60 5.101 39.237 5.926 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.793 40.582 5.164 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.914 39.974 3.961 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.342 38.751 4.942 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.947 38.873 3.302 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.163 36.566 4.734 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.366 37.019 3.543 1.00 50.31 H new ATOM 934 N GLU A 61 2.191 39.599 7.299 1.00 62.44 N ATOM 935 CA GLU A 61 1.532 39.947 8.552 1.00 50.50 C ATOM 936 C GLU A 61 0.044 40.205 8.330 1.00 12.05 C ATOM 937 O GLU A 61 -0.336 41.072 7.543 1.00 32.42 O ATOM 938 CB GLU A 61 2.189 41.180 9.174 1.00 73.34 C ATOM 939 CG GLU A 61 2.956 40.882 10.451 1.00 52.41 C ATOM 940 CD GLU A 61 4.433 41.205 10.332 1.00 72.55 C ATOM 941 OE1 GLU A 61 4.764 42.373 10.040 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 5.258 40.289 10.533 1.00 43.41 O ATOM 0 H GLU A 61 1.579 39.609 6.483 1.00 62.44 H new ATOM 0 HA GLU A 61 1.639 39.105 9.236 1.00 50.50 H new ATOM 0 HB2 GLU A 61 2.869 41.625 8.447 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.420 41.923 9.387 1.00 73.34 H new ATOM 0 HG2 GLU A 61 2.527 41.458 11.271 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.837 39.829 10.705 1.00 52.41 H new ATOM 949 N GLY A 62 -0.794 39.447 9.031 1.00 54.52 N ATOM 950 CA GLY A 62 -2.230 39.609 8.896 1.00 52.00 C ATOM 951 C GLY A 62 -2.978 38.301 9.059 1.00 61.55 C ATOM 952 O GLY A 62 -2.923 37.675 10.117 1.00 51.12 O ATOM 0 H GLY A 62 -0.504 38.724 9.690 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.584 40.322 9.641 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.454 40.033 7.917 1.00 52.00 H new ATOM 956 N GLU A 63 -3.682 37.888 8.010 1.00 53.44 N ATOM 957 CA GLU A 63 -4.447 36.648 8.044 1.00 52.42 C ATOM 958 C GLU A 63 -4.234 35.841 6.766 1.00 71.45 C ATOM 959 O GLU A 63 -4.281 36.413 5.678 1.00 35.41 O ATOM 960 CB GLU A 63 -5.936 36.945 8.230 1.00 13.45 C ATOM 961 CG GLU A 63 -6.830 35.735 8.018 1.00 1.11 C ATOM 962 CD GLU A 63 -8.246 35.960 8.514 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.412 36.646 9.544 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.187 35.451 7.871 1.00 35.44 O ATOM 0 H GLU A 63 -3.738 38.394 7.126 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.094 36.057 8.889 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.097 37.333 9.236 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.231 37.730 7.534 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.856 35.489 6.956 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.401 34.876 8.534 1.00 1.11 H new ATOM 971 N HIS A 64 -4.008 34.545 6.923 1.00 3.13 N ATOM 972 CA HIS A 64 -3.790 33.679 5.777 1.00 20.42 C ATOM 973 C HIS A 64 -4.432 32.315 6.036 1.00 42.53 C ATOM 974 O HIS A 64 -4.495 31.828 7.164 1.00 73.42 O ATOM 975 CB HIS A 64 -2.299 33.580 5.446 1.00 3.20 C ATOM 976 CG HIS A 64 -1.549 34.881 5.601 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.150 35.651 4.520 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.129 35.541 6.718 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.519 36.721 4.979 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.507 36.651 6.342 1.00 51.03 N ATOM 0 H HIS A 64 -3.971 34.074 7.827 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.270 34.107 4.897 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.843 32.830 6.092 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.187 33.228 4.421 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.278 35.215 7.737 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.089 37.510 4.380 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.089 37.339 6.968 1.00 51.03 H new ATOM 988 N GLN A 65 -4.909 31.705 4.956 1.00 53.30 N ATOM 989 CA GLN A 65 -5.552 30.398 5.038 1.00 30.02 C ATOM 990 C GLN A 65 -4.554 29.283 4.745 1.00 12.33 C ATOM 991 O GLN A 65 -3.511 29.514 4.132 1.00 60.12 O ATOM 992 CB GLN A 65 -6.724 30.320 4.059 1.00 12.55 C ATOM 993 CG GLN A 65 -8.021 30.882 4.619 1.00 10.33 C ATOM 994 CD GLN A 65 -9.176 29.905 4.509 1.00 53.50 C ATOM 995 OE1 GLN A 65 -10.243 30.243 3.996 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.968 28.685 4.991 1.00 52.31 N ATOM 0 H GLN A 65 -4.863 32.094 4.014 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.928 30.268 6.053 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.465 30.863 3.150 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.881 29.279 3.775 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.875 31.150 5.665 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.274 31.800 4.088 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.068 28.448 5.408 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.708 27.985 4.944 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.881 28.073 5.186 1.00 44.22 N ATOM 1006 CA TYR A 66 -4.011 26.921 4.974 1.00 44.05 C ATOM 1007 C TYR A 66 -4.755 25.620 5.255 1.00 74.13 C ATOM 1008 O TYR A 66 -5.878 25.627 5.758 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.773 27.019 5.865 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.041 26.672 7.312 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.803 27.510 8.118 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.531 25.508 7.875 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -4.049 27.198 9.441 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.773 25.188 9.197 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.532 26.036 9.976 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.775 25.721 11.292 1.00 4.23 O ATOM 0 H TYR A 66 -5.742 27.864 5.692 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.697 26.920 3.930 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -2.002 26.353 5.477 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.375 28.032 5.810 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.210 28.420 7.703 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.935 24.842 7.268 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.643 27.860 10.053 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.370 24.279 9.618 1.00 74.14 H new ATOM 0 HH TYR A 66 -4.079 24.792 11.355 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.117 24.500 4.929 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.713 23.188 5.148 1.00 53.24 C ATOM 1028 C LYS A 67 -3.637 22.135 5.394 1.00 15.33 C ATOM 1029 O LYS A 67 -2.455 22.371 5.146 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.569 22.786 3.944 1.00 51.31 C ATOM 1031 CG LYS A 67 -7.063 22.874 4.202 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.554 21.704 5.038 1.00 54.14 C ATOM 1033 CE LYS A 67 -7.751 20.457 4.190 1.00 21.22 C ATOM 1034 NZ LYS A 67 -9.057 19.798 4.467 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.186 24.476 4.512 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.347 23.248 6.033 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -5.317 23.427 3.099 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.318 21.765 3.656 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.290 23.809 4.714 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.597 22.893 3.252 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -6.836 21.496 5.832 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.495 21.970 5.520 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -7.695 20.723 3.134 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -6.941 19.754 4.385 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -8.894 18.898 4.962 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -9.640 20.420 5.062 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -9.551 19.615 3.570 1.00 73.50 H new ATOM 1048 N PHE A 68 -4.055 20.970 5.881 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.127 19.881 6.159 1.00 43.24 C ATOM 1050 C PHE A 68 -3.328 18.731 5.176 1.00 51.11 C ATOM 1051 O PHE A 68 -4.440 18.488 4.707 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.311 19.381 7.593 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.601 20.219 8.617 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.218 20.290 8.634 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.316 20.934 9.563 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.560 21.062 9.574 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.665 21.708 10.506 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.286 21.771 10.512 1.00 11.45 C ATOM 0 H PHE A 68 -5.030 20.757 6.091 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.112 20.261 6.042 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.375 19.359 7.828 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.949 18.355 7.661 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.646 19.736 7.904 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.395 20.887 9.564 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.519 21.111 9.575 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.235 22.263 11.237 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.775 22.373 11.249 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.244 18.026 4.871 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.299 16.902 3.944 1.00 72.31 C ATOM 1070 C PHE A 69 -1.516 15.710 4.487 1.00 34.23 C ATOM 1071 O PHE A 69 -0.285 15.702 4.469 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.744 17.312 2.578 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.395 16.600 1.428 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.772 16.619 1.273 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.631 15.910 0.501 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.375 15.964 0.216 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.227 15.253 -0.560 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.601 15.280 -0.702 1.00 73.11 C ATOM 0 H PHE A 69 -1.317 18.213 5.252 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.342 16.608 3.831 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.874 18.387 2.450 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.672 17.116 2.557 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.382 17.152 1.987 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.557 15.885 0.608 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.449 15.987 0.108 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.619 14.720 -1.276 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.069 14.767 -1.529 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.239 14.704 4.969 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.613 13.507 5.516 1.00 12.31 C ATOM 1090 C VAL A 70 -2.083 12.256 4.781 1.00 74.44 C ATOM 1091 O VAL A 70 -3.280 12.066 4.561 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.917 13.351 7.018 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.108 12.208 7.611 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.638 14.652 7.756 1.00 33.01 C ATOM 0 H VAL A 70 -3.259 14.695 4.992 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.538 13.622 5.380 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.975 13.114 7.134 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.336 12.113 8.673 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.363 11.279 7.101 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.045 12.411 7.485 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.858 14.524 8.816 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.589 14.922 7.633 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.267 15.444 7.348 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.135 11.406 4.405 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.452 10.171 3.696 1.00 43.14 C ATOM 1106 C ASP A 71 -2.330 10.453 2.480 1.00 50.35 C ATOM 1107 O ASP A 71 -3.304 9.746 2.229 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.156 9.187 4.632 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.299 8.808 5.824 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.138 9.264 5.890 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -1.790 8.056 6.692 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.140 11.549 4.579 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.517 9.728 3.352 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -3.088 9.629 4.984 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.419 8.287 4.077 1.00 2.43 H new ATOM 1116 N GLY A 72 -1.976 11.491 1.730 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.742 11.849 0.551 1.00 61.42 C ATOM 1118 C GLY A 72 -4.206 12.087 0.860 1.00 44.45 C ATOM 1119 O GLY A 72 -5.062 11.947 -0.013 1.00 1.33 O ATOM 0 H GLY A 72 -1.172 12.091 1.918 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.317 12.748 0.105 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.655 11.054 -0.190 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.495 12.447 2.107 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.867 12.702 2.530 1.00 43.53 C ATOM 1125 C GLN A 73 -5.999 14.093 3.140 1.00 15.15 C ATOM 1126 O GLN A 73 -5.037 14.636 3.682 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.317 11.644 3.540 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.994 10.442 2.901 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.050 9.824 3.797 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -8.005 8.631 4.096 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -9.007 10.635 4.229 1.00 65.41 N ATOM 0 H GLN A 73 -3.798 12.569 2.841 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.508 12.649 1.650 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.451 11.304 4.107 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.004 12.102 4.252 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.453 10.746 1.960 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.242 9.691 2.661 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -9.005 11.618 3.956 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.745 10.276 4.834 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.194 14.663 3.045 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.451 15.992 3.588 1.00 50.15 C ATOM 1142 C TRP A 74 -7.882 15.911 5.048 1.00 34.22 C ATOM 1143 O TRP A 74 -8.796 15.163 5.395 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.527 16.703 2.765 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.220 16.747 1.298 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.568 15.818 0.359 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.501 17.773 0.604 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.110 16.204 -0.877 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.452 17.399 -0.754 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.897 18.969 0.996 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.822 18.182 -1.718 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.271 19.744 0.038 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.238 19.349 -1.306 1.00 51.10 C ATOM 0 H TRP A 74 -8.000 14.227 2.598 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.524 16.564 3.534 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.481 16.198 2.914 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.644 17.721 3.135 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.122 14.913 0.559 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.239 15.685 -1.746 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.919 19.283 2.029 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.795 17.879 -2.754 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.799 20.670 0.330 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.742 19.978 -2.031 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.218 16.686 5.901 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.534 16.701 7.324 1.00 44.01 C ATOM 1166 C VAL A 75 -7.441 18.112 7.892 1.00 31.52 C ATOM 1167 O VAL A 75 -6.766 18.976 7.331 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.593 15.776 8.118 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.889 14.317 7.808 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.139 16.110 7.816 1.00 31.10 C ATOM 0 H VAL A 75 -6.459 17.311 5.631 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.557 16.338 7.425 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.766 15.938 9.182 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.214 13.680 8.379 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.920 14.089 8.080 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.746 14.135 6.743 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.488 15.447 8.385 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.949 15.978 6.751 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.938 17.144 8.095 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.122 18.341 9.011 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.116 19.649 9.656 1.00 74.30 C ATOM 1182 C HIS A 76 -7.450 19.574 11.027 1.00 62.21 C ATOM 1183 O HIS A 76 -7.182 18.487 11.540 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.543 20.178 9.797 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.317 19.527 10.903 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.990 18.334 10.747 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.520 19.908 12.185 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.576 18.010 11.886 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.306 18.950 12.775 1.00 32.15 N ATOM 0 H HIS A 76 -8.685 17.638 9.489 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.544 20.334 9.030 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.507 21.253 9.973 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -10.072 20.027 8.856 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.135 20.800 12.657 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.174 17.128 12.061 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.629 18.962 13.742 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.185 20.736 11.615 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.552 20.802 12.926 1.00 33.21 C ATOM 1199 C ASP A 77 -7.584 21.071 14.016 1.00 70.34 C ATOM 1200 O ASP A 77 -8.204 22.133 14.070 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.478 21.893 12.943 1.00 62.43 C ATOM 1202 CG ASP A 77 -5.888 23.120 12.154 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -6.905 23.747 12.519 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -5.194 23.454 11.171 1.00 41.33 O ATOM 0 H ASP A 77 -7.399 21.645 11.204 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.084 19.838 13.125 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -5.272 22.180 13.974 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -4.551 21.493 12.532 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.776 20.085 14.906 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.733 20.191 16.010 1.00 45.12 C ATOM 1211 C PRO A 78 -8.287 21.193 17.070 1.00 52.21 C ATOM 1212 O PRO A 78 -9.115 21.819 17.732 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.761 18.775 16.592 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.440 18.189 16.230 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.071 18.791 14.902 1.00 33.02 C ATOM 0 HA PRO A 78 -9.706 20.548 15.673 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.903 18.794 17.673 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.581 18.191 16.173 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.690 18.421 16.986 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.500 17.103 16.163 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.993 18.921 14.805 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.392 18.161 14.072 1.00 33.02 H new ATOM 1223 N SER A 79 -6.976 21.340 17.224 1.00 35.34 N ATOM 1224 CA SER A 79 -6.421 22.264 18.206 1.00 5.14 C ATOM 1225 C SER A 79 -6.420 23.692 17.668 1.00 2.34 C ATOM 1226 O SER A 79 -6.493 24.654 18.432 1.00 53.41 O ATOM 1227 CB SER A 79 -4.997 21.848 18.581 1.00 42.01 C ATOM 1228 OG SER A 79 -4.512 22.614 19.671 1.00 3.14 O ATOM 0 H SER A 79 -6.278 20.831 16.682 1.00 35.34 H new ATOM 0 HA SER A 79 -7.049 22.230 19.096 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.980 20.789 18.840 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.339 21.976 17.721 1.00 42.01 H new ATOM 0 HG SER A 79 -3.601 22.328 19.892 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.338 23.821 16.347 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.327 25.131 15.707 1.00 31.11 C ATOM 1236 C GLU A 80 -7.705 25.475 15.150 1.00 4.43 C ATOM 1237 O GLU A 80 -8.556 24.608 14.950 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.287 25.166 14.586 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.971 25.805 14.996 1.00 61.25 C ATOM 1240 CD GLU A 80 -2.890 25.639 13.945 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -2.708 24.506 13.455 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -2.225 26.643 13.615 1.00 23.05 O ATOM 0 H GLU A 80 -6.278 23.035 15.700 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.063 25.874 16.460 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.097 24.148 14.247 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.698 25.713 13.738 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -4.130 26.867 15.184 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.633 25.363 15.933 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.931 26.772 14.891 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.204 27.261 14.353 1.00 12.23 C ATOM 1251 C PRO A 81 -9.425 26.833 12.905 1.00 54.22 C ATOM 1252 O PRO A 81 -8.541 26.985 12.062 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.066 28.783 14.445 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.598 29.033 14.412 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.962 27.859 15.104 1.00 34.31 C ATOM 0 HA PRO A 81 -10.058 26.862 14.901 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.570 29.277 13.615 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.512 29.166 15.363 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.240 29.122 13.386 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.350 29.966 14.918 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.989 27.619 14.676 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.804 28.055 16.165 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.608 26.298 12.626 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.945 25.849 11.280 1.00 44.45 C ATOM 1265 C VAL A 82 -12.052 26.706 10.676 1.00 64.55 C ATOM 1266 O VAL A 82 -12.886 27.257 11.394 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.391 24.375 11.275 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.266 23.475 11.762 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.638 24.194 12.128 1.00 72.14 C ATOM 0 H VAL A 82 -11.350 26.165 13.313 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.042 25.949 10.678 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.634 24.090 10.251 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.600 22.437 11.752 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.402 23.585 11.106 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -9.989 23.757 12.778 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.940 23.147 12.114 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.424 24.496 13.153 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.444 24.809 11.729 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.054 26.813 9.351 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.060 27.601 8.649 1.00 1.01 C ATOM 1281 C VAL A 83 -13.923 26.719 7.754 1.00 10.44 C ATOM 1282 O VAL A 83 -13.674 25.521 7.618 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.411 28.705 7.792 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.468 29.550 8.636 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.678 28.096 6.607 1.00 11.55 C ATOM 0 H VAL A 83 -11.370 26.364 8.742 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.687 28.064 9.411 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.198 29.354 7.409 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -11.019 30.325 8.014 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -12.025 30.015 9.449 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.684 28.916 9.050 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.226 28.889 6.012 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.899 27.424 6.967 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.383 27.538 5.991 1.00 11.55 H new ATOM 1295 N THR A 84 -14.940 27.321 7.144 1.00 44.21 N ATOM 1296 CA THR A 84 -15.841 26.591 6.261 1.00 74.32 C ATOM 1297 C THR A 84 -15.959 27.278 4.906 1.00 53.33 C ATOM 1298 O THR A 84 -16.485 28.387 4.805 1.00 51.12 O ATOM 1299 CB THR A 84 -17.245 26.455 6.880 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.150 26.410 8.308 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.941 25.202 6.373 1.00 25.03 C ATOM 0 H THR A 84 -15.160 28.312 7.246 1.00 44.21 H new ATOM 0 HA THR A 84 -15.414 25.597 6.125 1.00 74.32 H new ATOM 0 HB THR A 84 -17.833 27.323 6.584 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.047 26.325 8.693 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.931 25.128 6.824 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.039 25.254 5.289 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.353 24.325 6.642 1.00 25.03 H new ATOM 1309 N SER A 85 -15.469 26.612 3.866 1.00 12.31 N ATOM 1310 CA SER A 85 -15.518 27.161 2.515 1.00 62.15 C ATOM 1311 C SER A 85 -16.943 27.144 1.972 1.00 62.25 C ATOM 1312 O SER A 85 -17.867 26.679 2.641 1.00 25.40 O ATOM 1313 CB SER A 85 -14.597 26.367 1.586 1.00 73.20 C ATOM 1314 OG SER A 85 -13.631 27.211 0.983 1.00 45.01 O ATOM 0 H SER A 85 -15.034 25.692 3.932 1.00 12.31 H new ATOM 0 HA SER A 85 -15.177 28.195 2.557 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.096 25.581 2.151 1.00 73.20 H new ATOM 0 HB3 SER A 85 -15.189 25.877 0.813 1.00 73.20 H new ATOM 0 HG SER A 85 -13.054 26.680 0.396 1.00 45.01 H new ATOM 1320 N GLN A 86 -17.113 27.654 0.757 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.427 27.698 0.125 1.00 2.41 C ATOM 1322 C GLN A 86 -18.847 26.313 -0.354 1.00 50.10 C ATOM 1323 O GLN A 86 -20.027 26.060 -0.598 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.416 28.676 -1.052 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.299 30.132 -0.632 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.594 30.684 -0.071 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.675 30.424 -0.601 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.492 31.450 1.009 1.00 50.44 N ATOM 0 H GLN A 86 -16.359 28.042 0.191 1.00 54.44 H new ATOM 0 HA GLN A 86 -19.149 28.040 0.867 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.584 28.429 -1.711 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.331 28.546 -1.630 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.513 30.228 0.117 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.995 30.731 -1.491 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -18.576 31.639 1.415 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.330 31.849 1.432 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.874 25.418 -0.488 1.00 53.55 N ATOM 1338 CA LEU A 87 -18.143 24.056 -0.938 1.00 32.15 C ATOM 1339 C LEU A 87 -18.611 23.182 0.221 1.00 71.20 C ATOM 1340 O LEU A 87 -19.127 22.085 0.015 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.890 23.451 -1.574 1.00 52.11 C ATOM 1342 CG LEU A 87 -17.115 22.238 -2.477 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -17.898 22.635 -3.719 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -15.785 21.606 -2.862 1.00 21.21 C ATOM 0 H LEU A 87 -16.892 25.611 -0.292 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.938 24.096 -1.683 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.393 24.226 -2.157 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.205 23.163 -0.777 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.698 21.501 -1.925 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -18.049 21.759 -4.350 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -18.866 23.041 -3.425 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -17.342 23.390 -4.274 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -15.964 20.744 -3.505 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.176 22.336 -3.395 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -15.261 21.285 -1.962 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.428 23.678 1.441 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.839 22.930 2.616 1.00 24.33 C ATOM 1358 C GLY A 88 -17.708 22.112 3.207 1.00 1.42 C ATOM 1359 O GLY A 88 -17.939 21.206 4.008 1.00 3.52 O ATOM 0 H GLY A 88 -18.003 24.584 1.637 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.216 23.621 3.370 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.663 22.267 2.351 1.00 24.33 H new ATOM 1363 N THR A 89 -16.480 22.432 2.811 1.00 71.55 N ATOM 1364 CA THR A 89 -15.308 21.718 3.306 1.00 55.20 C ATOM 1365 C THR A 89 -14.647 22.475 4.452 1.00 10.24 C ATOM 1366 O THR A 89 -14.615 23.706 4.459 1.00 41.43 O ATOM 1367 CB THR A 89 -14.273 21.496 2.187 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.625 22.732 1.866 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.935 20.926 0.942 1.00 71.24 C ATOM 0 H THR A 89 -16.271 23.180 2.150 1.00 71.55 H new ATOM 0 HA THR A 89 -15.656 20.750 3.667 1.00 55.20 H new ATOM 0 HB THR A 89 -13.532 20.781 2.545 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.967 22.582 1.155 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.184 20.778 0.166 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.401 19.971 1.183 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.695 21.620 0.584 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.120 21.732 5.419 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.457 22.334 6.569 1.00 62.33 C ATOM 1379 C ILE A 90 -12.005 22.673 6.252 1.00 55.32 C ATOM 1380 O ILE A 90 -11.255 21.833 5.757 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.499 21.402 7.795 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.946 21.056 8.151 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.798 22.051 8.979 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.785 22.263 8.510 1.00 10.43 C ATOM 0 H ILE A 90 -14.139 20.712 5.429 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.999 23.251 6.801 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.974 20.479 7.548 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.406 20.542 7.307 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.949 20.359 8.989 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.836 21.380 9.837 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.758 22.251 8.721 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.297 22.988 9.228 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.799 21.943 8.751 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.349 22.766 9.373 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.813 22.951 7.665 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.615 23.910 6.542 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.252 24.361 6.290 1.00 52.40 C ATOM 1398 C ASN A 91 -9.615 24.912 7.563 1.00 14.34 C ATOM 1399 O ASN A 91 -10.228 24.901 8.629 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.241 25.431 5.196 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.045 24.843 3.813 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.981 23.625 3.647 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.949 25.708 2.810 1.00 51.12 N ATOM 0 H ASN A 91 -12.224 24.618 6.952 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.668 23.503 5.956 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.180 25.984 5.223 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.444 26.146 5.400 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.817 25.371 1.857 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -10.008 26.710 2.993 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.383 25.395 7.440 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.663 25.950 8.581 1.00 25.44 C ATOM 1412 C ASN A 92 -7.285 27.406 8.328 1.00 42.41 C ATOM 1413 O ASN A 92 -6.915 27.778 7.214 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.406 25.127 8.868 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.665 23.634 8.801 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.880 22.882 8.222 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.770 23.198 9.397 1.00 64.12 N ATOM 0 H ASN A 92 -7.863 25.413 6.563 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.321 25.909 9.449 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.630 25.391 8.149 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.025 25.383 9.857 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.997 22.204 9.387 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.391 23.858 9.865 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.379 28.225 9.370 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.046 29.641 9.262 1.00 13.40 C ATOM 1426 C LEU A 93 -5.908 30.007 10.210 1.00 33.45 C ATOM 1427 O LEU A 93 -5.961 29.708 11.405 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.275 30.499 9.569 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.025 32.000 9.715 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.489 32.581 8.416 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.303 32.715 10.134 1.00 44.50 C ATOM 0 H LEU A 93 -7.683 27.933 10.299 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.720 29.835 8.240 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.006 30.348 8.775 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.727 30.135 10.492 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.276 32.150 10.492 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.317 33.650 8.539 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.551 32.090 8.158 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.214 32.420 7.619 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.107 33.783 10.233 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.073 32.556 9.379 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.645 32.319 11.090 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.880 30.655 9.672 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.732 31.064 10.470 1.00 23.02 C ATOM 1445 C ILE A 94 -3.465 32.558 10.325 1.00 33.42 C ATOM 1446 O ILE A 94 -3.498 33.101 9.220 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.463 30.286 10.071 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.276 30.730 10.928 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.163 30.487 8.594 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.355 29.596 11.318 1.00 55.11 C ATOM 0 H ILE A 94 -4.819 30.908 8.686 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.974 30.840 11.509 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.635 29.224 10.245 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.704 31.480 10.382 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.650 31.211 11.832 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.264 29.932 8.326 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.003 30.126 8.000 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.007 31.547 8.395 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.464 29.984 11.924 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.912 28.856 11.892 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.049 29.130 10.419 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.200 33.218 11.448 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.925 34.650 11.446 1.00 3.12 C ATOM 1464 C HIS A 95 -1.466 34.924 11.798 1.00 23.15 C ATOM 1465 O HIS A 95 -0.868 34.213 12.607 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.844 35.369 12.435 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.300 35.218 12.118 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.301 35.724 12.919 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.922 34.611 11.080 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.476 35.436 12.387 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.273 34.761 11.270 1.00 25.13 N ATOM 0 H HIS A 95 -3.170 32.784 12.371 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.116 35.030 10.442 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.657 34.984 13.438 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.591 36.429 12.448 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.157 36.240 13.787 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.444 34.103 10.256 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.438 35.707 12.796 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.898 35.958 11.186 1.00 71.41 N ATOM 1480 CA VAL A 96 0.491 36.325 11.435 1.00 30.12 C ATOM 1481 C VAL A 96 0.588 37.714 12.058 1.00 32.13 C ATOM 1482 O VAL A 96 0.015 38.677 11.549 1.00 62.43 O ATOM 1483 CB VAL A 96 1.321 36.297 10.138 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.753 36.729 10.411 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.283 34.912 9.512 1.00 60.41 C ATOM 0 H VAL A 96 -1.378 36.556 10.514 1.00 71.41 H new ATOM 0 HA VAL A 96 0.894 35.588 12.130 1.00 30.12 H new ATOM 0 HB VAL A 96 0.883 37.002 9.431 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.324 36.703 9.483 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.757 37.743 10.811 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.206 36.051 11.135 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.875 34.910 8.596 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.695 34.185 10.212 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.252 34.647 9.278 1.00 60.41 H new ATOM 1495 N LYS A 97 1.319 37.810 13.164 1.00 13.43 N ATOM 1496 CA LYS A 97 1.495 39.081 13.858 1.00 32.32 C ATOM 1497 C LYS A 97 2.942 39.556 13.764 1.00 33.23 C ATOM 1498 O LYS A 97 3.873 38.754 13.810 1.00 53.25 O ATOM 1499 CB LYS A 97 1.086 38.944 15.326 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.406 38.744 15.527 1.00 24.53 C ATOM 1501 CD LYS A 97 -1.089 40.034 15.948 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.202 41.011 14.788 1.00 62.22 C ATOM 1503 NZ LYS A 97 -0.059 41.966 14.755 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.799 37.022 13.599 1.00 13.43 H new ATOM 0 HA LYS A 97 0.856 39.822 13.377 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.619 38.101 15.766 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.400 39.837 15.867 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.853 38.379 14.602 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.573 37.979 16.285 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -2.083 39.811 16.335 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -0.527 40.496 16.760 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -1.241 40.458 13.850 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -2.137 41.566 14.870 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -0.417 42.939 14.843 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 0.587 41.762 15.544 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 0.452 41.865 13.855 1.00 53.42 H new ATOM 1517 N LYS A 98 3.121 40.866 13.633 1.00 54.02 N ATOM 1518 CA LYS A 98 4.454 41.450 13.535 1.00 54.22 C ATOM 1519 C LYS A 98 5.212 41.296 14.849 1.00 33.52 C ATOM 1520 O LYS A 98 5.040 42.091 15.773 1.00 54.13 O ATOM 1521 CB LYS A 98 4.357 42.930 13.159 1.00 72.45 C ATOM 1522 CG LYS A 98 3.397 43.719 14.032 1.00 22.24 C ATOM 1523 CD LYS A 98 2.192 44.201 13.242 1.00 61.03 C ATOM 1524 CE LYS A 98 2.589 45.228 12.192 1.00 12.11 C ATOM 1525 NZ LYS A 98 1.789 46.479 12.311 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.360 41.544 13.592 1.00 54.02 H new ATOM 0 HA LYS A 98 5.001 40.919 12.756 1.00 54.22 H new ATOM 0 HB2 LYS A 98 5.348 43.379 13.226 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.040 43.012 12.119 1.00 72.45 H new ATOM 0 HG2 LYS A 98 3.063 43.096 14.862 1.00 22.24 H new ATOM 0 HG3 LYS A 98 3.916 44.575 14.464 1.00 22.24 H new ATOM 0 HD2 LYS A 98 1.709 43.352 12.758 1.00 61.03 H new ATOM 0 HD3 LYS A 98 1.461 44.638 13.922 1.00 61.03 H new ATOM 0 HE2 LYS A 98 3.648 45.463 12.296 1.00 12.11 H new ATOM 0 HE3 LYS A 98 2.453 44.803 11.198 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 2.089 47.154 11.579 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 0.780 46.259 12.187 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 1.939 46.899 13.251 1.00 62.45 H new ATOM 1539 N SER A 99 6.054 40.271 14.924 1.00 5.23 N ATOM 1540 CA SER A 99 6.837 40.012 16.126 1.00 54.21 C ATOM 1541 C SER A 99 8.099 40.870 16.148 1.00 15.23 C ATOM 1542 O SER A 99 8.907 40.783 17.072 1.00 12.25 O ATOM 1543 CB SER A 99 7.214 38.531 16.208 1.00 74.45 C ATOM 1544 OG SER A 99 7.433 38.133 17.550 1.00 71.51 O ATOM 0 H SER A 99 6.212 39.606 14.167 1.00 5.23 H new ATOM 0 HA SER A 99 6.225 40.272 16.990 1.00 54.21 H new ATOM 0 HB2 SER A 99 6.420 37.926 15.771 1.00 74.45 H new ATOM 0 HB3 SER A 99 8.114 38.349 15.620 1.00 74.45 H new ATOM 0 HG SER A 99 8.013 38.786 17.994 1.00 71.51 H new ATOM 1550 N ASP A 100 8.260 41.699 15.122 1.00 41.31 N ATOM 1551 CA ASP A 100 9.422 42.574 15.022 1.00 54.01 C ATOM 1552 C ASP A 100 9.088 43.978 15.516 1.00 20.12 C ATOM 1553 O ASP A 100 9.970 44.724 15.942 1.00 63.13 O ATOM 1554 CB ASP A 100 9.920 42.634 13.576 1.00 12.01 C ATOM 1555 CG ASP A 100 10.892 41.516 13.253 1.00 52.24 C ATOM 1556 OD1 ASP A 100 11.973 41.471 13.878 1.00 51.25 O ATOM 1557 OD2 ASP A 100 10.573 40.687 12.376 1.00 33.31 O1- ATOM 0 H ASP A 100 7.601 41.783 14.348 1.00 41.31 H new ATOM 0 HA ASP A 100 10.211 42.163 15.653 1.00 54.01 H new ATOM 0 HB2 ASP A 100 9.068 42.578 12.898 1.00 12.01 H new ATOM 0 HB3 ASP A 100 10.404 43.595 13.401 1.00 12.01 H new ATOM 1562 N PHE A 101 7.809 44.333 15.454 1.00 63.54 N ATOM 1563 CA PHE A 101 7.359 45.649 15.893 1.00 71.44 C ATOM 1564 C PHE A 101 7.461 45.780 17.410 1.00 52.32 C ATOM 1565 O PHE A 101 7.706 46.867 17.933 1.00 34.45 O ATOM 1566 CB PHE A 101 5.917 45.894 15.445 1.00 63.25 C ATOM 1567 CG PHE A 101 5.497 47.333 15.533 1.00 32.23 C ATOM 1568 CD1 PHE A 101 6.065 48.286 14.702 1.00 71.11 C ATOM 1569 CD2 PHE A 101 4.536 47.733 16.447 1.00 74.14 C ATOM 1570 CE1 PHE A 101 5.681 49.611 14.782 1.00 3.42 C ATOM 1571 CE2 PHE A 101 4.148 49.057 16.531 1.00 33.03 C ATOM 1572 CZ PHE A 101 4.721 49.998 15.697 1.00 74.12 C ATOM 0 H PHE A 101 7.066 43.728 15.104 1.00 63.54 H new ATOM 0 HA PHE A 101 8.006 46.398 15.436 1.00 71.44 H new ATOM 0 HB2 PHE A 101 5.802 45.553 14.416 1.00 63.25 H new ATOM 0 HB3 PHE A 101 5.247 45.291 16.058 1.00 63.25 H new ATOM 0 HD1 PHE A 101 6.816 47.990 13.984 1.00 71.11 H new ATOM 0 HD2 PHE A 101 4.085 47.002 17.101 1.00 74.14 H new ATOM 0 HE1 PHE A 101 6.131 50.344 14.129 1.00 3.42 H new ATOM 0 HE2 PHE A 101 3.398 49.356 17.248 1.00 33.03 H new ATOM 0 HZ PHE A 101 4.419 51.033 15.760 1.00 74.12 H new ATOM 1582 N GLU A 102 7.271 44.666 18.109 1.00 21.35 N ATOM 1583 CA GLU A 102 7.341 44.657 19.566 1.00 14.23 C ATOM 1584 C GLU A 102 8.728 44.236 20.041 1.00 60.31 C ATOM 1585 O GLU A 102 8.875 43.631 21.104 1.00 73.22 O ATOM 1586 CB GLU A 102 6.283 43.713 20.143 1.00 4.10 C ATOM 1587 CG GLU A 102 6.604 42.243 19.940 1.00 33.42 C ATOM 1588 CD GLU A 102 5.431 41.461 19.382 1.00 12.40 C ATOM 1589 OE1 GLU A 102 4.693 42.018 18.542 1.00 22.53 O ATOM 1590 OE2 GLU A 102 5.249 40.293 19.786 1.00 64.41 O1- ATOM 0 H GLU A 102 7.067 43.758 17.691 1.00 21.35 H new ATOM 0 HA GLU A 102 7.147 45.669 19.921 1.00 14.23 H new ATOM 0 HB2 GLU A 102 6.176 43.909 21.210 1.00 4.10 H new ATOM 0 HB3 GLU A 102 5.321 43.933 19.681 1.00 4.10 H new ATOM 0 HG2 GLU A 102 7.453 42.151 19.262 1.00 33.42 H new ATOM 0 HG3 GLU A 102 6.907 41.806 20.892 1.00 33.42 H new ATOM 1597 N VAL A 103 9.743 44.561 19.247 1.00 15.53 N ATOM 1598 CA VAL A 103 11.119 44.218 19.586 1.00 41.23 C ATOM 1599 C VAL A 103 12.085 45.305 19.131 1.00 24.20 C ATOM 1600 O VAL A 103 11.858 45.968 18.119 1.00 11.55 O ATOM 1601 CB VAL A 103 11.537 42.876 18.952 1.00 11.21 C ATOM 1602 CG1 VAL A 103 12.923 42.471 19.424 1.00 71.14 C ATOM 1603 CG2 VAL A 103 10.517 41.795 19.274 1.00 51.01 C ATOM 0 H VAL A 103 9.638 45.061 18.364 1.00 15.53 H new ATOM 0 HA VAL A 103 11.164 44.128 20.671 1.00 41.23 H new ATOM 0 HB VAL A 103 11.571 43.000 17.870 1.00 11.21 H new ATOM 0 HG11 VAL A 103 13.200 41.522 18.966 1.00 71.14 H new ATOM 0 HG12 VAL A 103 13.643 43.237 19.137 1.00 71.14 H new ATOM 0 HG13 VAL A 103 12.921 42.364 20.509 1.00 71.14 H new ATOM 0 HG21 VAL A 103 10.828 40.855 18.819 1.00 51.01 H new ATOM 0 HG22 VAL A 103 10.448 41.670 20.355 1.00 51.01 H new ATOM 0 HG23 VAL A 103 9.543 42.085 18.880 1.00 51.01 H new ATOM 1613 N PHE A 104 13.165 45.483 19.885 1.00 4.44 N ATOM 1614 CA PHE A 104 14.167 46.492 19.559 1.00 53.12 C ATOM 1615 C PHE A 104 15.373 45.857 18.874 1.00 20.21 C ATOM 1616 O PHE A 104 16.060 46.501 18.080 1.00 20.22 O ATOM 1617 CB PHE A 104 14.613 47.226 20.825 1.00 24.34 C ATOM 1618 CG PHE A 104 15.073 46.306 21.921 1.00 11.05 C ATOM 1619 CD1 PHE A 104 16.354 45.778 21.908 1.00 22.12 C ATOM 1620 CD2 PHE A 104 14.224 45.970 22.963 1.00 61.43 C ATOM 1621 CE1 PHE A 104 16.781 44.933 22.914 1.00 61.14 C ATOM 1622 CE2 PHE A 104 14.646 45.125 23.973 1.00 72.14 C ATOM 1623 CZ PHE A 104 15.925 44.605 23.947 1.00 73.40 C ATOM 0 H PHE A 104 13.369 44.942 20.725 1.00 4.44 H new ATOM 0 HA PHE A 104 13.716 47.208 18.872 1.00 53.12 H new ATOM 0 HB2 PHE A 104 15.423 47.911 20.572 1.00 24.34 H new ATOM 0 HB3 PHE A 104 13.786 47.833 21.194 1.00 24.34 H new ATOM 0 HD1 PHE A 104 17.027 46.030 21.102 1.00 22.12 H new ATOM 0 HD2 PHE A 104 13.222 46.372 22.987 1.00 61.43 H new ATOM 0 HE1 PHE A 104 17.783 44.530 22.893 1.00 61.14 H new ATOM 0 HE2 PHE A 104 13.976 44.872 24.781 1.00 72.14 H new ATOM 0 HZ PHE A 104 16.255 43.943 24.733 1.00 73.40 H new ATOM 1633 N ASP A 105 15.627 44.591 19.186 1.00 73.24 N ATOM 1634 CA ASP A 105 16.751 43.869 18.601 1.00 14.44 C ATOM 1635 C ASP A 105 16.276 42.594 17.912 1.00 70.40 C ATOM 1636 O ASP A 105 17.042 41.935 17.208 1.00 42.24 O ATOM 1637 CB ASP A 105 17.782 43.528 19.679 1.00 3.22 C ATOM 1638 CG ASP A 105 18.958 42.746 19.127 1.00 12.21 C ATOM 1639 OD1 ASP A 105 19.413 43.070 18.010 1.00 24.32 O1- ATOM 1640 OD2 ASP A 105 19.422 41.811 19.811 1.00 44.03 O ATOM 0 H ASP A 105 15.069 44.043 19.841 1.00 73.24 H new ATOM 0 HA ASP A 105 17.217 44.512 17.855 1.00 14.44 H new ATOM 0 HB2 ASP A 105 18.144 44.449 20.136 1.00 3.22 H new ATOM 0 HB3 ASP A 105 17.301 42.948 20.467 1.00 3.22 H new TER 1645 ASP A 105