USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 455 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 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 52 GLN : amide:sc= -1.04 K(o=-1,f=-2.8!) USER MOD Single : A 55 GLN : amide:sc= -1.25 K(o=-1.2,f=-5.5!) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= -0.111 (180deg=-0.628) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.2) USER MOD Single : A 77 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.9) USER MOD Single : A 80 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.4!) USER MOD Single : A 81 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.92) USER MOD Single : A 84 LYS NZ :NH3+ -140:sc= -0.0275 (180deg=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -89:sc= 0.0136 USER MOD Single : A 93 SER OG : rot 150:sc= 0.486 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 30:sc= 0.81 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 -0.499 0.624 1.520 1.00 4.22 N ATOM 2 CA GLY A 46 -0.075 2.001 1.345 1.00 41.11 C ATOM 3 C GLY A 46 -0.409 2.540 -0.032 1.00 34.21 C ATOM 4 O GLY A 46 -0.641 1.773 -0.966 1.00 60.15 O ATOM 0 HA2 GLY A 46 -0.553 2.624 2.101 1.00 41.11 H new ATOM 0 HA3 GLY A 46 1.001 2.070 1.508 1.00 41.11 H new ATOM 8 N SER A 47 -0.436 3.863 -0.158 1.00 34.24 N ATOM 9 CA SER A 47 -0.751 4.504 -1.429 1.00 63.52 C ATOM 10 C SER A 47 0.332 5.507 -1.814 1.00 62.01 C ATOM 11 O SER A 47 0.922 6.160 -0.955 1.00 25.34 O ATOM 12 CB SER A 47 -2.107 5.206 -1.349 1.00 35.10 C ATOM 13 OG SER A 47 -2.004 6.437 -0.656 1.00 10.44 O ATOM 0 H SER A 47 -0.243 4.512 0.605 1.00 34.24 H new ATOM 0 HA SER A 47 -0.796 3.731 -2.196 1.00 63.52 H new ATOM 0 HB2 SER A 47 -2.489 5.382 -2.355 1.00 35.10 H new ATOM 0 HB3 SER A 47 -2.825 4.560 -0.844 1.00 35.10 H new ATOM 0 HG SER A 47 -2.884 6.867 -0.620 1.00 10.44 H new ATOM 19 N ASN A 48 0.587 5.624 -3.113 1.00 61.43 N ATOM 20 CA ASN A 48 1.599 6.547 -3.614 1.00 23.33 C ATOM 21 C ASN A 48 1.065 7.352 -4.795 1.00 22.53 C ATOM 22 O ASN A 48 1.446 7.138 -5.946 1.00 52.40 O ATOM 23 CB ASN A 48 2.856 5.781 -4.031 1.00 23.30 C ATOM 24 CG ASN A 48 4.024 6.702 -4.325 1.00 41.51 C ATOM 25 OD1 ASN A 48 4.227 7.122 -5.465 1.00 32.42 O ATOM 26 ND2 ASN A 48 4.799 7.022 -3.295 1.00 41.32 N ATOM 0 H ASN A 48 0.107 5.091 -3.838 1.00 61.43 H new ATOM 0 HA ASN A 48 1.853 7.239 -2.811 1.00 23.33 H new ATOM 0 HB2 ASN A 48 3.135 5.087 -3.238 1.00 23.30 H new ATOM 0 HB3 ASN A 48 2.637 5.183 -4.916 1.00 23.30 H new ATOM 0 HD21 ASN A 48 5.600 7.639 -3.432 1.00 41.32 H new ATOM 0 HD22 ASN A 48 4.593 6.651 -2.367 1.00 41.32 H new ATOM 33 N PRO A 49 0.162 8.300 -4.504 1.00 60.34 N ATOM 34 CA PRO A 49 -0.443 9.157 -5.528 1.00 70.34 C ATOM 35 C PRO A 49 0.554 10.149 -6.117 1.00 61.33 C ATOM 36 O PRO A 49 1.757 10.054 -5.872 1.00 12.22 O ATOM 37 CB PRO A 49 -1.546 9.896 -4.766 1.00 62.42 C ATOM 38 CG PRO A 49 -1.091 9.896 -3.348 1.00 20.35 C ATOM 39 CD PRO A 49 -0.338 8.609 -3.154 1.00 63.32 C ATOM 0 HA PRO A 49 -0.806 8.581 -6.379 1.00 70.34 H new ATOM 0 HB2 PRO A 49 -1.674 10.911 -5.141 1.00 62.42 H new ATOM 0 HB3 PRO A 49 -2.507 9.393 -4.874 1.00 62.42 H new ATOM 0 HG2 PRO A 49 -0.453 10.756 -3.143 1.00 20.35 H new ATOM 0 HG3 PRO A 49 -1.939 9.958 -2.666 1.00 20.35 H new ATOM 0 HD2 PRO A 49 0.477 8.724 -2.440 1.00 63.32 H new ATOM 0 HD3 PRO A 49 -0.985 7.818 -2.774 1.00 63.32 H new ATOM 47 N ASP A 50 0.047 11.099 -6.895 1.00 10.15 N ATOM 48 CA ASP A 50 0.894 12.110 -7.517 1.00 55.14 C ATOM 49 C ASP A 50 0.416 13.514 -7.160 1.00 54.13 C ATOM 50 O ASP A 50 -0.722 13.720 -6.736 1.00 43.21 O ATOM 51 CB ASP A 50 0.903 11.932 -9.036 1.00 44.34 C ATOM 52 CG ASP A 50 2.036 11.042 -9.508 1.00 4.13 C ATOM 53 OD1 ASP A 50 3.180 11.243 -9.047 1.00 61.24 O ATOM 54 OD2 ASP A 50 1.779 10.144 -10.336 1.00 64.02 O ATOM 0 H ASP A 50 -0.946 11.190 -7.110 1.00 10.15 H new ATOM 0 HA ASP A 50 1.908 11.984 -7.137 1.00 55.14 H new ATOM 0 HB2 ASP A 50 -0.048 11.504 -9.354 1.00 44.34 H new ATOM 0 HB3 ASP A 50 0.989 12.908 -9.513 1.00 44.34 H new ATOM 59 N PRO A 51 1.304 14.504 -7.334 1.00 51.02 N ATOM 60 CA PRO A 51 0.996 15.906 -7.036 1.00 34.33 C ATOM 61 C PRO A 51 -0.007 16.501 -8.018 1.00 72.34 C ATOM 62 O PRO A 51 -0.483 17.620 -7.832 1.00 4.35 O ATOM 63 CB PRO A 51 2.352 16.603 -7.168 1.00 12.13 C ATOM 64 CG PRO A 51 3.132 15.740 -8.098 1.00 45.20 C ATOM 65 CD PRO A 51 2.677 14.331 -7.836 1.00 44.21 C ATOM 0 HA PRO A 51 0.535 16.022 -6.055 1.00 34.33 H new ATOM 0 HB2 PRO A 51 2.241 17.613 -7.564 1.00 12.13 H new ATOM 0 HB3 PRO A 51 2.847 16.692 -6.201 1.00 12.13 H new ATOM 0 HG2 PRO A 51 2.952 16.022 -9.135 1.00 45.20 H new ATOM 0 HG3 PRO A 51 4.203 15.844 -7.921 1.00 45.20 H new ATOM 0 HD2 PRO A 51 2.700 13.726 -8.742 1.00 44.21 H new ATOM 0 HD3 PRO A 51 3.313 13.833 -7.104 1.00 44.21 H new ATOM 73 N GLN A 52 -0.324 15.744 -9.064 1.00 51.12 N ATOM 74 CA GLN A 52 -1.271 16.198 -10.076 1.00 43.20 C ATOM 75 C GLN A 52 -2.670 15.662 -9.792 1.00 62.44 C ATOM 76 O GLN A 52 -3.668 16.293 -10.137 1.00 71.13 O ATOM 77 CB GLN A 52 -0.814 15.755 -11.467 1.00 51.42 C ATOM 78 CG GLN A 52 -0.741 14.246 -11.632 1.00 34.12 C ATOM 79 CD GLN A 52 -2.024 13.657 -12.185 1.00 30.32 C ATOM 80 OE1 GLN A 52 -2.846 14.365 -12.767 1.00 43.11 O ATOM 81 NE2 GLN A 52 -2.203 12.353 -12.005 1.00 45.13 N ATOM 0 H GLN A 52 0.061 14.814 -9.233 1.00 51.12 H new ATOM 0 HA GLN A 52 -1.306 17.287 -10.043 1.00 43.20 H new ATOM 0 HB2 GLN A 52 -1.499 16.161 -12.212 1.00 51.42 H new ATOM 0 HB3 GLN A 52 0.168 16.182 -11.671 1.00 51.42 H new ATOM 0 HG2 GLN A 52 0.085 13.997 -12.298 1.00 34.12 H new ATOM 0 HG3 GLN A 52 -0.522 13.789 -10.667 1.00 34.12 H new ATOM 0 HE21 GLN A 52 -1.496 11.804 -11.517 1.00 45.13 H new ATOM 0 HE22 GLN A 52 -3.048 11.901 -12.355 1.00 45.13 H new ATOM 90 N GLU A 53 -2.734 14.493 -9.162 1.00 64.33 N ATOM 91 CA GLU A 53 -4.011 13.871 -8.834 1.00 12.41 C ATOM 92 C GLU A 53 -4.488 14.306 -7.451 1.00 20.31 C ATOM 93 O GLU A 53 -5.689 14.417 -7.202 1.00 45.34 O ATOM 94 CB GLU A 53 -3.891 12.347 -8.889 1.00 33.14 C ATOM 95 CG GLU A 53 -5.230 11.633 -8.968 1.00 14.51 C ATOM 96 CD GLU A 53 -5.494 11.037 -10.337 1.00 45.10 C ATOM 97 OE1 GLU A 53 -4.847 10.023 -10.676 1.00 53.50 O ATOM 98 OE2 GLU A 53 -6.345 11.583 -11.069 1.00 43.52 O ATOM 0 H GLU A 53 -1.917 13.958 -8.869 1.00 64.33 H new ATOM 0 HA GLU A 53 -4.745 14.196 -9.572 1.00 12.41 H new ATOM 0 HB2 GLU A 53 -3.289 12.069 -9.754 1.00 33.14 H new ATOM 0 HB3 GLU A 53 -3.356 12.001 -8.005 1.00 33.14 H new ATOM 0 HG2 GLU A 53 -5.260 10.841 -8.219 1.00 14.51 H new ATOM 0 HG3 GLU A 53 -6.027 12.335 -8.722 1.00 14.51 H new ATOM 105 N VAL A 54 -3.538 14.549 -6.553 1.00 51.24 N ATOM 106 CA VAL A 54 -3.859 14.972 -5.196 1.00 35.35 C ATOM 107 C VAL A 54 -4.238 16.448 -5.155 1.00 35.25 C ATOM 108 O VAL A 54 -5.264 16.819 -4.585 1.00 11.23 O ATOM 109 CB VAL A 54 -2.678 14.730 -4.238 1.00 23.42 C ATOM 110 CG1 VAL A 54 -3.057 15.109 -2.814 1.00 74.55 C ATOM 111 CG2 VAL A 54 -2.223 13.280 -4.309 1.00 72.41 C ATOM 0 H VAL A 54 -2.540 14.460 -6.742 1.00 51.24 H new ATOM 0 HA VAL A 54 -4.709 14.372 -4.871 1.00 35.35 H new ATOM 0 HB VAL A 54 -1.847 15.364 -4.548 1.00 23.42 H new ATOM 0 HG11 VAL A 54 -2.209 14.931 -2.152 1.00 74.55 H new ATOM 0 HG12 VAL A 54 -3.330 16.164 -2.779 1.00 74.55 H new ATOM 0 HG13 VAL A 54 -3.904 14.504 -2.490 1.00 74.55 H new ATOM 0 HG21 VAL A 54 -1.388 13.127 -3.626 1.00 72.41 H new ATOM 0 HG22 VAL A 54 -3.048 12.626 -4.026 1.00 72.41 H new ATOM 0 HG23 VAL A 54 -1.907 13.047 -5.326 1.00 72.41 H new ATOM 121 N GLN A 55 -3.404 17.284 -5.763 1.00 0.51 N ATOM 122 CA GLN A 55 -3.652 18.721 -5.795 1.00 70.04 C ATOM 123 C GLN A 55 -5.032 19.022 -6.370 1.00 13.10 C ATOM 124 O GLN A 55 -5.675 20.000 -5.987 1.00 43.23 O ATOM 125 CB GLN A 55 -2.577 19.427 -6.623 1.00 62.14 C ATOM 126 CG GLN A 55 -2.791 19.312 -8.124 1.00 30.51 C ATOM 127 CD GLN A 55 -1.754 20.077 -8.922 1.00 61.30 C ATOM 128 OE1 GLN A 55 -0.913 19.484 -9.599 1.00 1.05 O ATOM 129 NE2 GLN A 55 -1.808 21.401 -8.848 1.00 12.45 N ATOM 0 H GLN A 55 -2.551 16.992 -6.240 1.00 0.51 H new ATOM 0 HA GLN A 55 -3.615 19.094 -4.771 1.00 70.04 H new ATOM 0 HB2 GLN A 55 -2.552 20.481 -6.348 1.00 62.14 H new ATOM 0 HB3 GLN A 55 -1.603 19.009 -6.370 1.00 62.14 H new ATOM 0 HG2 GLN A 55 -2.762 18.261 -8.412 1.00 30.51 H new ATOM 0 HG3 GLN A 55 -3.784 19.684 -8.375 1.00 30.51 H new ATOM 0 HE21 GLN A 55 -2.522 21.851 -8.275 1.00 12.45 H new ATOM 0 HE22 GLN A 55 -1.136 21.968 -9.364 1.00 12.45 H new ATOM 138 N ARG A 56 -5.482 18.176 -7.291 1.00 32.25 N ATOM 139 CA ARG A 56 -6.786 18.353 -7.919 1.00 22.40 C ATOM 140 C ARG A 56 -7.904 17.881 -6.994 1.00 2.13 C ATOM 141 O ARG A 56 -9.049 18.314 -7.117 1.00 0.41 O ATOM 142 CB ARG A 56 -6.846 17.586 -9.241 1.00 73.14 C ATOM 143 CG ARG A 56 -5.902 18.127 -10.303 1.00 20.54 C ATOM 144 CD ARG A 56 -6.502 19.323 -11.025 1.00 61.51 C ATOM 145 NE ARG A 56 -5.963 19.474 -12.374 1.00 4.32 N ATOM 146 CZ ARG A 56 -6.271 20.485 -13.179 1.00 64.21 C ATOM 147 NH1 ARG A 56 -7.109 21.428 -12.774 1.00 15.15 N ATOM 148 NH2 ARG A 56 -5.739 20.554 -14.393 1.00 24.43 N ATOM 0 H ARG A 56 -4.963 17.361 -7.619 1.00 32.25 H new ATOM 0 HA ARG A 56 -6.926 19.416 -8.116 1.00 22.40 H new ATOM 0 HB2 ARG A 56 -6.608 16.539 -9.055 1.00 73.14 H new ATOM 0 HB3 ARG A 56 -7.866 17.618 -9.624 1.00 73.14 H new ATOM 0 HG2 ARG A 56 -4.959 18.416 -9.840 1.00 20.54 H new ATOM 0 HG3 ARG A 56 -5.675 17.342 -11.024 1.00 20.54 H new ATOM 0 HD2 ARG A 56 -7.585 19.209 -11.078 1.00 61.51 H new ATOM 0 HD3 ARG A 56 -6.304 20.229 -10.452 1.00 61.51 H new ATOM 0 HE ARG A 56 -5.315 18.765 -12.717 1.00 4.32 H new ATOM 0 HH11 ARG A 56 -7.520 21.379 -11.842 1.00 15.15 H new ATOM 0 HH12 ARG A 56 -7.343 22.203 -13.395 1.00 15.15 H new ATOM 0 HH21 ARG A 56 -5.093 19.830 -14.709 1.00 24.43 H new ATOM 0 HH22 ARG A 56 -5.976 21.331 -15.010 1.00 24.43 H new ATOM 162 N ALA A 57 -7.563 16.991 -6.068 1.00 62.40 N ATOM 163 CA ALA A 57 -8.537 16.462 -5.121 1.00 62.44 C ATOM 164 C ALA A 57 -8.761 17.430 -3.965 1.00 44.21 C ATOM 165 O ALA A 57 -9.847 17.482 -3.387 1.00 10.51 O ATOM 166 CB ALA A 57 -8.082 15.107 -4.598 1.00 1.44 C ATOM 0 H ALA A 57 -6.619 16.621 -5.953 1.00 62.40 H new ATOM 0 HA ALA A 57 -9.485 16.338 -5.644 1.00 62.44 H new ATOM 0 HB1 ALA A 57 -8.818 14.724 -3.892 1.00 1.44 H new ATOM 0 HB2 ALA A 57 -7.981 14.411 -5.431 1.00 1.44 H new ATOM 0 HB3 ALA A 57 -7.120 15.215 -4.096 1.00 1.44 H new ATOM 172 N LEU A 58 -7.727 18.195 -3.632 1.00 10.21 N ATOM 173 CA LEU A 58 -7.811 19.163 -2.543 1.00 63.41 C ATOM 174 C LEU A 58 -8.991 20.107 -2.744 1.00 13.34 C ATOM 175 O LEU A 58 -9.809 20.295 -1.843 1.00 4.10 O ATOM 176 CB LEU A 58 -6.512 19.965 -2.446 1.00 63.43 C ATOM 177 CG LEU A 58 -5.537 19.534 -1.349 1.00 53.32 C ATOM 178 CD1 LEU A 58 -4.100 19.754 -1.796 1.00 32.34 C ATOM 179 CD2 LEU A 58 -5.819 20.291 -0.059 1.00 45.13 C ATOM 0 H LEU A 58 -6.821 18.164 -4.100 1.00 10.21 H new ATOM 0 HA LEU A 58 -7.962 18.615 -1.613 1.00 63.41 H new ATOM 0 HB2 LEU A 58 -5.998 19.904 -3.405 1.00 63.43 H new ATOM 0 HB3 LEU A 58 -6.766 21.013 -2.287 1.00 63.43 H new ATOM 0 HG LEU A 58 -5.678 18.470 -1.161 1.00 53.32 H new ATOM 0 HD11 LEU A 58 -3.420 19.442 -1.003 1.00 32.34 H new ATOM 0 HD12 LEU A 58 -3.904 19.167 -2.693 1.00 32.34 H new ATOM 0 HD13 LEU A 58 -3.944 20.811 -2.012 1.00 32.34 H new ATOM 0 HD21 LEU A 58 -5.116 19.972 0.711 1.00 45.13 H new ATOM 0 HD22 LEU A 58 -5.706 21.361 -0.233 1.00 45.13 H new ATOM 0 HD23 LEU A 58 -6.837 20.083 0.270 1.00 45.13 H new ATOM 191 N ALA A 59 -9.075 20.698 -3.931 1.00 61.23 N ATOM 192 CA ALA A 59 -10.158 21.619 -4.252 1.00 2.44 C ATOM 193 C ALA A 59 -11.467 20.871 -4.478 1.00 61.11 C ATOM 194 O ALA A 59 -12.544 21.466 -4.462 1.00 12.44 O ATOM 195 CB ALA A 59 -9.801 22.446 -5.478 1.00 55.50 C ATOM 0 H ALA A 59 -8.405 20.555 -4.687 1.00 61.23 H new ATOM 0 HA ALA A 59 -10.296 22.289 -3.403 1.00 2.44 H new ATOM 0 HB1 ALA A 59 -10.619 23.130 -5.706 1.00 55.50 H new ATOM 0 HB2 ALA A 59 -8.895 23.018 -5.280 1.00 55.50 H new ATOM 0 HB3 ALA A 59 -9.634 21.784 -6.327 1.00 55.50 H new ATOM 201 N ARG A 60 -11.366 19.563 -4.690 1.00 71.21 N ATOM 202 CA ARG A 60 -12.543 18.734 -4.922 1.00 24.50 C ATOM 203 C ARG A 60 -13.261 18.431 -3.610 1.00 72.44 C ATOM 204 O ARG A 60 -14.375 17.906 -3.609 1.00 13.04 O ATOM 205 CB ARG A 60 -12.144 17.427 -5.611 1.00 53.22 C ATOM 206 CG ARG A 60 -11.851 17.586 -7.094 1.00 73.22 C ATOM 207 CD ARG A 60 -13.084 17.304 -7.939 1.00 21.52 C ATOM 208 NE ARG A 60 -12.982 17.894 -9.271 1.00 2.14 N ATOM 209 CZ ARG A 60 -13.039 19.201 -9.501 1.00 50.13 C ATOM 210 NH1 ARG A 60 -13.196 20.049 -8.494 1.00 52.13 N ATOM 211 NH2 ARG A 60 -12.938 19.662 -10.741 1.00 53.14 N ATOM 0 H ARG A 60 -10.482 19.055 -4.706 1.00 71.21 H new ATOM 0 HA ARG A 60 -13.224 19.286 -5.570 1.00 24.50 H new ATOM 0 HB2 ARG A 60 -11.262 17.020 -5.117 1.00 53.22 H new ATOM 0 HB3 ARG A 60 -12.945 16.699 -5.483 1.00 53.22 H new ATOM 0 HG2 ARG A 60 -11.498 18.599 -7.290 1.00 73.22 H new ATOM 0 HG3 ARG A 60 -11.048 16.907 -7.382 1.00 73.22 H new ATOM 0 HD2 ARG A 60 -13.223 16.227 -8.030 1.00 21.52 H new ATOM 0 HD3 ARG A 60 -13.967 17.698 -7.435 1.00 21.52 H new ATOM 0 HE ARG A 60 -12.860 17.269 -10.068 1.00 2.14 H new ATOM 0 HH11 ARG A 60 -13.273 19.698 -7.539 1.00 52.13 H new ATOM 0 HH12 ARG A 60 -13.239 21.052 -8.674 1.00 52.13 H new ATOM 0 HH21 ARG A 60 -12.817 19.013 -11.518 1.00 53.14 H new ATOM 0 HH22 ARG A 60 -12.982 20.666 -10.917 1.00 53.14 H new ATOM 225 N ILE A 61 -12.616 18.764 -2.498 1.00 31.23 N ATOM 226 CA ILE A 61 -13.194 18.528 -1.180 1.00 61.24 C ATOM 227 C ILE A 61 -14.561 19.191 -1.053 1.00 1.41 C ATOM 228 O ILE A 61 -15.395 18.771 -0.249 1.00 43.43 O ATOM 229 CB ILE A 61 -12.275 19.051 -0.061 1.00 12.43 C ATOM 230 CG1 ILE A 61 -10.937 18.310 -0.081 1.00 44.52 C ATOM 231 CG2 ILE A 61 -12.951 18.898 1.294 1.00 41.22 C ATOM 232 CD1 ILE A 61 -9.861 18.983 0.743 1.00 32.23 C ATOM 0 H ILE A 61 -11.693 19.198 -2.483 1.00 31.23 H new ATOM 0 HA ILE A 61 -13.305 17.449 -1.072 1.00 61.24 H new ATOM 0 HB ILE A 61 -12.084 20.110 -0.233 1.00 12.43 H new ATOM 0 HG12 ILE A 61 -11.087 17.296 0.290 1.00 44.52 H new ATOM 0 HG13 ILE A 61 -10.594 18.224 -1.112 1.00 44.52 H new ATOM 0 HG21 ILE A 61 -12.289 19.272 2.075 1.00 41.22 H new ATOM 0 HG22 ILE A 61 -13.881 19.467 1.303 1.00 41.22 H new ATOM 0 HG23 ILE A 61 -13.168 17.845 1.476 1.00 41.22 H new ATOM 0 HD11 ILE A 61 -8.940 18.403 0.683 1.00 32.23 H new ATOM 0 HD12 ILE A 61 -9.683 19.987 0.358 1.00 32.23 H new ATOM 0 HD13 ILE A 61 -10.184 19.044 1.782 1.00 32.23 H new ATOM 244 N LEU A 62 -14.786 20.229 -1.852 1.00 25.23 N ATOM 245 CA LEU A 62 -16.053 20.950 -1.830 1.00 51.53 C ATOM 246 C LEU A 62 -17.077 20.279 -2.740 1.00 14.13 C ATOM 247 O LEU A 62 -18.285 20.431 -2.551 1.00 63.03 O ATOM 248 CB LEU A 62 -15.843 22.402 -2.264 1.00 14.30 C ATOM 249 CG LEU A 62 -15.337 23.359 -1.184 1.00 23.11 C ATOM 250 CD1 LEU A 62 -15.130 24.752 -1.759 1.00 32.34 C ATOM 251 CD2 LEU A 62 -16.306 23.402 -0.012 1.00 34.20 C ATOM 0 H LEU A 62 -14.107 20.589 -2.523 1.00 25.23 H new ATOM 0 HA LEU A 62 -16.435 20.933 -0.809 1.00 51.53 H new ATOM 0 HB2 LEU A 62 -15.135 22.414 -3.092 1.00 14.30 H new ATOM 0 HB3 LEU A 62 -16.788 22.786 -2.647 1.00 14.30 H new ATOM 0 HG LEU A 62 -14.377 22.992 -0.822 1.00 23.11 H new ATOM 0 HD11 LEU A 62 -14.770 25.419 -0.976 1.00 32.34 H new ATOM 0 HD12 LEU A 62 -14.396 24.708 -2.564 1.00 32.34 H new ATOM 0 HD13 LEU A 62 -16.075 25.128 -2.150 1.00 32.34 H new ATOM 0 HD21 LEU A 62 -15.929 24.088 0.747 1.00 34.20 H new ATOM 0 HD22 LEU A 62 -17.281 23.744 -0.359 1.00 34.20 H new ATOM 0 HD23 LEU A 62 -16.403 22.405 0.417 1.00 34.20 H new ATOM 263 N CYS A 63 -16.588 19.535 -3.725 1.00 64.53 N ATOM 264 CA CYS A 63 -17.459 18.838 -4.663 1.00 72.35 C ATOM 265 C CYS A 63 -17.794 17.437 -4.158 1.00 2.32 C ATOM 266 O CYS A 63 -18.959 17.105 -3.946 1.00 35.13 O ATOM 267 CB CYS A 63 -16.796 18.750 -6.039 1.00 61.04 C ATOM 268 SG CYS A 63 -17.882 18.099 -7.348 1.00 74.45 S ATOM 0 H CYS A 63 -15.591 19.399 -3.895 1.00 64.53 H new ATOM 0 HA CYS A 63 -18.386 19.406 -4.749 1.00 72.35 H new ATOM 0 HB2 CYS A 63 -16.451 19.743 -6.328 1.00 61.04 H new ATOM 0 HB3 CYS A 63 -15.913 18.115 -5.965 1.00 61.04 H new ATOM 273 N ALA A 64 -16.762 16.621 -3.967 1.00 14.24 N ATOM 274 CA ALA A 64 -16.946 15.258 -3.484 1.00 11.21 C ATOM 275 C ALA A 64 -17.808 15.233 -2.226 1.00 22.20 C ATOM 276 O ALA A 64 -18.890 14.645 -2.214 1.00 54.34 O ATOM 277 CB ALA A 64 -15.597 14.607 -3.215 1.00 54.13 C ATOM 0 H ALA A 64 -15.791 16.880 -4.139 1.00 14.24 H new ATOM 0 HA ALA A 64 -17.463 14.691 -4.258 1.00 11.21 H new ATOM 0 HB1 ALA A 64 -15.749 13.590 -2.855 1.00 54.13 H new ATOM 0 HB2 ALA A 64 -15.015 14.582 -4.136 1.00 54.13 H new ATOM 0 HB3 ALA A 64 -15.059 15.182 -2.461 1.00 54.13 H new ATOM 283 N LEU A 65 -17.321 15.872 -1.168 1.00 51.33 N ATOM 284 CA LEU A 65 -18.047 15.923 0.096 1.00 20.42 C ATOM 285 C LEU A 65 -18.260 14.521 0.658 1.00 72.52 C ATOM 286 O LEU A 65 -19.276 13.881 0.389 1.00 13.02 O ATOM 287 CB LEU A 65 -19.396 16.618 -0.095 1.00 2.43 C ATOM 288 CG LEU A 65 -19.510 18.030 0.481 1.00 11.33 C ATOM 289 CD1 LEU A 65 -18.414 18.925 -0.077 1.00 31.22 C ATOM 290 CD2 LEU A 65 -20.883 18.617 0.186 1.00 45.44 C ATOM 0 H LEU A 65 -16.426 16.362 -1.160 1.00 51.33 H new ATOM 0 HA LEU A 65 -17.449 16.493 0.807 1.00 20.42 H new ATOM 0 HB2 LEU A 65 -19.611 16.664 -1.163 1.00 2.43 H new ATOM 0 HB3 LEU A 65 -20.169 15.998 0.359 1.00 2.43 H new ATOM 0 HG LEU A 65 -19.387 17.971 1.562 1.00 11.33 H new ATOM 0 HD11 LEU A 65 -18.512 19.926 0.344 1.00 31.22 H new ATOM 0 HD12 LEU A 65 -17.439 18.514 0.186 1.00 31.22 H new ATOM 0 HD13 LEU A 65 -18.505 18.978 -1.162 1.00 31.22 H new ATOM 0 HD21 LEU A 65 -20.946 19.622 0.603 1.00 45.44 H new ATOM 0 HD22 LEU A 65 -21.036 18.661 -0.892 1.00 45.44 H new ATOM 0 HD23 LEU A 65 -21.652 17.988 0.636 1.00 45.44 H new ATOM 302 N GLY A 66 -17.295 14.049 1.441 1.00 1.14 N ATOM 303 CA GLY A 66 -17.397 12.727 2.031 1.00 71.25 C ATOM 304 C GLY A 66 -16.423 11.741 1.416 1.00 3.50 C ATOM 305 O GLY A 66 -15.968 10.812 2.082 1.00 5.41 O ATOM 0 H GLY A 66 -16.444 14.559 1.677 1.00 1.14 H new ATOM 0 HA2 GLY A 66 -17.212 12.796 3.103 1.00 71.25 H new ATOM 0 HA3 GLY A 66 -18.414 12.354 1.907 1.00 71.25 H new ATOM 309 N GLU A 67 -16.104 11.944 0.141 1.00 23.34 N ATOM 310 CA GLU A 67 -15.179 11.063 -0.563 1.00 1.32 C ATOM 311 C GLU A 67 -13.745 11.571 -0.442 1.00 11.33 C ATOM 312 O GLU A 67 -12.820 10.799 -0.185 1.00 13.22 O ATOM 313 CB GLU A 67 -15.569 10.952 -2.038 1.00 73.11 C ATOM 314 CG GLU A 67 -16.626 9.895 -2.310 1.00 31.51 C ATOM 315 CD GLU A 67 -16.064 8.487 -2.281 1.00 64.33 C ATOM 316 OE1 GLU A 67 -14.823 8.344 -2.296 1.00 21.22 O ATOM 317 OE2 GLU A 67 -16.863 7.528 -2.245 1.00 11.34 O ATOM 0 H GLU A 67 -16.472 12.709 -0.424 1.00 23.34 H new ATOM 0 HA GLU A 67 -15.237 10.076 -0.104 1.00 1.32 H new ATOM 0 HB2 GLU A 67 -15.937 11.919 -2.382 1.00 73.11 H new ATOM 0 HB3 GLU A 67 -14.679 10.723 -2.624 1.00 73.11 H new ATOM 0 HG2 GLU A 67 -17.420 9.981 -1.568 1.00 31.51 H new ATOM 0 HG3 GLU A 67 -17.079 10.081 -3.284 1.00 31.51 H new ATOM 324 N LEU A 68 -13.568 12.874 -0.629 1.00 42.42 N ATOM 325 CA LEU A 68 -12.247 13.487 -0.542 1.00 2.22 C ATOM 326 C LEU A 68 -11.642 13.282 0.843 1.00 21.04 C ATOM 327 O LEU A 68 -10.425 13.355 1.017 1.00 13.34 O ATOM 328 CB LEU A 68 -12.334 14.982 -0.856 1.00 73.43 C ATOM 329 CG LEU A 68 -11.231 15.544 -1.753 1.00 54.54 C ATOM 330 CD1 LEU A 68 -9.882 15.457 -1.058 1.00 44.43 C ATOM 331 CD2 LEU A 68 -11.197 14.806 -3.083 1.00 70.05 C ATOM 0 H LEU A 68 -14.322 13.527 -0.842 1.00 42.42 H new ATOM 0 HA LEU A 68 -11.601 13.005 -1.276 1.00 2.22 H new ATOM 0 HB2 LEU A 68 -13.296 15.178 -1.330 1.00 73.43 H new ATOM 0 HB3 LEU A 68 -12.325 15.532 0.085 1.00 73.43 H new ATOM 0 HG LEU A 68 -11.448 16.594 -1.949 1.00 54.54 H new ATOM 0 HD11 LEU A 68 -9.109 15.862 -1.712 1.00 44.43 H new ATOM 0 HD12 LEU A 68 -9.912 16.032 -0.132 1.00 44.43 H new ATOM 0 HD13 LEU A 68 -9.656 14.415 -0.831 1.00 44.43 H new ATOM 0 HD21 LEU A 68 -10.406 15.220 -3.708 1.00 70.05 H new ATOM 0 HD22 LEU A 68 -11.005 13.748 -2.907 1.00 70.05 H new ATOM 0 HD23 LEU A 68 -12.156 14.921 -3.588 1.00 70.05 H new ATOM 343 N ASP A 69 -12.499 13.023 1.825 1.00 63.22 N ATOM 344 CA ASP A 69 -12.049 12.803 3.195 1.00 42.35 C ATOM 345 C ASP A 69 -11.096 11.615 3.270 1.00 63.45 C ATOM 346 O ASP A 69 -10.337 11.473 4.229 1.00 71.52 O ATOM 347 CB ASP A 69 -13.247 12.571 4.116 1.00 1.35 C ATOM 348 CG ASP A 69 -12.951 12.945 5.556 1.00 62.43 C ATOM 349 OD1 ASP A 69 -12.170 13.895 5.774 1.00 72.10 O ATOM 350 OD2 ASP A 69 -13.500 12.287 6.464 1.00 53.02 O ATOM 0 H ASP A 69 -13.509 12.960 1.698 1.00 63.22 H new ATOM 0 HA ASP A 69 -11.515 13.695 3.524 1.00 42.35 H new ATOM 0 HB2 ASP A 69 -14.095 13.155 3.759 1.00 1.35 H new ATOM 0 HB3 ASP A 69 -13.540 11.522 4.069 1.00 1.35 H new ATOM 355 N LYS A 70 -11.141 10.762 2.252 1.00 65.24 N ATOM 356 CA LYS A 70 -10.282 9.585 2.201 1.00 64.33 C ATOM 357 C LYS A 70 -8.891 9.947 1.689 1.00 53.35 C ATOM 358 O LYS A 70 -7.957 9.151 1.782 1.00 24.43 O ATOM 359 CB LYS A 70 -10.904 8.512 1.303 1.00 4.52 C ATOM 360 CG LYS A 70 -11.361 7.277 2.059 1.00 21.11 C ATOM 361 CD LYS A 70 -10.191 6.552 2.703 1.00 42.30 C ATOM 362 CE LYS A 70 -9.834 5.284 1.943 1.00 52.02 C ATOM 363 NZ LYS A 70 -10.960 4.310 1.930 1.00 33.32 N ATOM 0 H LYS A 70 -11.764 10.864 1.451 1.00 65.24 H new ATOM 0 HA LYS A 70 -10.186 9.193 3.213 1.00 64.33 H new ATOM 0 HB2 LYS A 70 -11.756 8.941 0.775 1.00 4.52 H new ATOM 0 HB3 LYS A 70 -10.177 8.217 0.547 1.00 4.52 H new ATOM 0 HG2 LYS A 70 -12.079 7.565 2.827 1.00 21.11 H new ATOM 0 HG3 LYS A 70 -11.877 6.602 1.377 1.00 21.11 H new ATOM 0 HD2 LYS A 70 -9.325 7.214 2.736 1.00 42.30 H new ATOM 0 HD3 LYS A 70 -10.440 6.301 3.734 1.00 42.30 H new ATOM 0 HE2 LYS A 70 -9.562 5.539 0.919 1.00 52.02 H new ATOM 0 HE3 LYS A 70 -8.959 4.821 2.399 1.00 52.02 H new ATOM 0 HZ1 LYS A 70 -10.581 3.342 1.904 1.00 33.32 H new ATOM 0 HZ2 LYS A 70 -11.536 4.434 2.787 1.00 33.32 H new ATOM 0 HZ3 LYS A 70 -11.551 4.473 1.090 1.00 33.32 H new ATOM 377 N LEU A 71 -8.761 11.154 1.148 1.00 31.04 N ATOM 378 CA LEU A 71 -7.484 11.623 0.623 1.00 43.14 C ATOM 379 C LEU A 71 -6.865 12.667 1.547 1.00 40.24 C ATOM 380 O LEU A 71 -5.696 12.568 1.918 1.00 24.32 O ATOM 381 CB LEU A 71 -7.671 12.211 -0.777 1.00 61.01 C ATOM 382 CG LEU A 71 -6.499 13.026 -1.325 1.00 62.11 C ATOM 383 CD1 LEU A 71 -6.392 12.860 -2.833 1.00 52.20 C ATOM 384 CD2 LEU A 71 -6.652 14.495 -0.958 1.00 34.44 C ATOM 0 H LEU A 71 -9.524 11.825 1.062 1.00 31.04 H new ATOM 0 HA LEU A 71 -6.808 10.770 0.565 1.00 43.14 H new ATOM 0 HB2 LEU A 71 -7.874 11.393 -1.469 1.00 61.01 H new ATOM 0 HB3 LEU A 71 -8.556 12.847 -0.767 1.00 61.01 H new ATOM 0 HG LEU A 71 -5.580 12.653 -0.873 1.00 62.11 H new ATOM 0 HD11 LEU A 71 -5.552 13.447 -3.205 1.00 52.20 H new ATOM 0 HD12 LEU A 71 -6.234 11.809 -3.073 1.00 52.20 H new ATOM 0 HD13 LEU A 71 -7.313 13.205 -3.303 1.00 52.20 H new ATOM 0 HD21 LEU A 71 -5.809 15.059 -1.356 1.00 34.44 H new ATOM 0 HD22 LEU A 71 -7.579 14.881 -1.381 1.00 34.44 H new ATOM 0 HD23 LEU A 71 -6.678 14.598 0.127 1.00 34.44 H new ATOM 396 N VAL A 72 -7.658 13.668 1.916 1.00 74.22 N ATOM 397 CA VAL A 72 -7.190 14.729 2.799 1.00 31.23 C ATOM 398 C VAL A 72 -6.633 14.157 4.098 1.00 63.32 C ATOM 399 O VAL A 72 -5.799 14.779 4.756 1.00 31.05 O ATOM 400 CB VAL A 72 -8.320 15.722 3.132 1.00 64.22 C ATOM 401 CG1 VAL A 72 -9.374 15.059 4.005 1.00 70.43 C ATOM 402 CG2 VAL A 72 -7.756 16.961 3.811 1.00 52.14 C ATOM 0 H VAL A 72 -8.628 13.766 1.617 1.00 74.22 H new ATOM 0 HA VAL A 72 -6.398 15.256 2.268 1.00 31.23 H new ATOM 0 HB VAL A 72 -8.796 16.030 2.201 1.00 64.22 H new ATOM 0 HG11 VAL A 72 -10.164 15.776 4.230 1.00 70.43 H new ATOM 0 HG12 VAL A 72 -9.799 14.205 3.478 1.00 70.43 H new ATOM 0 HG13 VAL A 72 -8.916 14.720 4.934 1.00 70.43 H new ATOM 0 HG21 VAL A 72 -8.567 17.652 4.039 1.00 52.14 H new ATOM 0 HG22 VAL A 72 -7.254 16.673 4.735 1.00 52.14 H new ATOM 0 HG23 VAL A 72 -7.042 17.447 3.146 1.00 52.14 H new ATOM 412 N LYS A 73 -7.098 12.966 4.461 1.00 10.32 N ATOM 413 CA LYS A 73 -6.646 12.307 5.681 1.00 44.15 C ATOM 414 C LYS A 73 -5.532 11.309 5.379 1.00 51.44 C ATOM 415 O LYS A 73 -4.629 11.108 6.191 1.00 33.31 O ATOM 416 CB LYS A 73 -7.815 11.592 6.362 1.00 4.10 C ATOM 417 CG LYS A 73 -8.988 12.505 6.673 1.00 72.05 C ATOM 418 CD LYS A 73 -8.922 13.033 8.096 1.00 55.12 C ATOM 419 CE LYS A 73 -9.262 11.950 9.108 1.00 11.24 C ATOM 420 NZ LYS A 73 -9.669 12.526 10.420 1.00 23.54 N ATOM 0 H LYS A 73 -7.788 12.437 3.927 1.00 10.32 H new ATOM 0 HA LYS A 73 -6.254 13.070 6.353 1.00 44.15 H new ATOM 0 HB2 LYS A 73 -8.157 10.780 5.720 1.00 4.10 H new ATOM 0 HB3 LYS A 73 -7.463 11.139 7.288 1.00 4.10 H new ATOM 0 HG2 LYS A 73 -8.995 13.341 5.974 1.00 72.05 H new ATOM 0 HG3 LYS A 73 -9.922 11.961 6.529 1.00 72.05 H new ATOM 0 HD2 LYS A 73 -7.922 13.419 8.296 1.00 55.12 H new ATOM 0 HD3 LYS A 73 -9.614 13.868 8.208 1.00 55.12 H new ATOM 0 HE2 LYS A 73 -10.068 11.329 8.718 1.00 11.24 H new ATOM 0 HE3 LYS A 73 -8.398 11.300 9.249 1.00 11.24 H new ATOM 0 HZ1 LYS A 73 -9.893 11.756 11.083 1.00 23.54 H new ATOM 0 HZ2 LYS A 73 -8.890 13.098 10.804 1.00 23.54 H new ATOM 0 HZ3 LYS A 73 -10.509 13.126 10.290 1.00 23.54 H new ATOM 434 N ASP A 74 -5.602 10.689 4.206 1.00 44.31 N ATOM 435 CA ASP A 74 -4.598 9.714 3.796 1.00 44.43 C ATOM 436 C ASP A 74 -3.457 10.393 3.044 1.00 25.22 C ATOM 437 O ASP A 74 -2.646 9.729 2.399 1.00 45.31 O ATOM 438 CB ASP A 74 -5.233 8.635 2.917 1.00 3.25 C ATOM 439 CG ASP A 74 -6.304 7.850 3.648 1.00 13.54 C ATOM 440 OD1 ASP A 74 -7.238 8.481 4.187 1.00 34.12 O ATOM 441 OD2 ASP A 74 -6.209 6.606 3.681 1.00 75.10 O ATOM 0 H ASP A 74 -6.343 10.844 3.523 1.00 44.31 H new ATOM 0 HA ASP A 74 -4.192 9.248 4.694 1.00 44.43 H new ATOM 0 HB2 ASP A 74 -5.668 9.100 2.032 1.00 3.25 H new ATOM 0 HB3 ASP A 74 -4.459 7.951 2.570 1.00 3.25 H new ATOM 446 N GLN A 75 -3.402 11.718 3.132 1.00 21.14 N ATOM 447 CA GLN A 75 -2.361 12.486 2.459 1.00 71.50 C ATOM 448 C GLN A 75 -1.670 13.435 3.432 1.00 43.35 C ATOM 449 O GLN A 75 -0.490 13.272 3.741 1.00 61.12 O ATOM 450 CB GLN A 75 -2.955 13.276 1.292 1.00 72.54 C ATOM 451 CG GLN A 75 -1.937 14.130 0.555 1.00 41.53 C ATOM 452 CD GLN A 75 -0.981 13.306 -0.285 1.00 52.10 C ATOM 453 OE1 GLN A 75 0.237 13.462 -0.193 1.00 72.22 O ATOM 454 NE2 GLN A 75 -1.530 12.422 -1.110 1.00 45.03 N ATOM 0 H GLN A 75 -4.066 12.282 3.663 1.00 21.14 H new ATOM 0 HA GLN A 75 -1.619 11.786 2.074 1.00 71.50 H new ATOM 0 HB2 GLN A 75 -3.411 12.580 0.588 1.00 72.54 H new ATOM 0 HB3 GLN A 75 -3.752 13.918 1.667 1.00 72.54 H new ATOM 0 HG2 GLN A 75 -2.460 14.839 -0.087 1.00 41.53 H new ATOM 0 HG3 GLN A 75 -1.368 14.715 1.278 1.00 41.53 H new ATOM 0 HE21 GLN A 75 -2.545 12.327 -1.153 1.00 45.03 H new ATOM 0 HE22 GLN A 75 -0.937 11.838 -1.700 1.00 45.03 H new ATOM 463 N ALA A 76 -2.412 14.428 3.910 1.00 13.21 N ATOM 464 CA ALA A 76 -1.871 15.403 4.849 1.00 51.13 C ATOM 465 C ALA A 76 -1.323 14.719 6.096 1.00 34.54 C ATOM 466 O ALA A 76 -0.484 15.275 6.803 1.00 31.12 O ATOM 467 CB ALA A 76 -2.938 16.420 5.227 1.00 22.24 C ATOM 0 H ALA A 76 -3.390 14.579 3.662 1.00 13.21 H new ATOM 0 HA ALA A 76 -1.047 15.923 4.361 1.00 51.13 H new ATOM 0 HB1 ALA A 76 -2.520 17.142 5.929 1.00 22.24 H new ATOM 0 HB2 ALA A 76 -3.279 16.940 4.332 1.00 22.24 H new ATOM 0 HB3 ALA A 76 -3.780 15.908 5.692 1.00 22.24 H new ATOM 473 N ASN A 77 -1.805 13.508 6.361 1.00 2.44 N ATOM 474 CA ASN A 77 -1.364 12.748 7.525 1.00 2.34 C ATOM 475 C ASN A 77 -0.768 11.408 7.106 1.00 43.01 C ATOM 476 O ASN A 77 -0.613 10.503 7.925 1.00 62.32 O ATOM 477 CB ASN A 77 -2.534 12.521 8.485 1.00 5.01 C ATOM 478 CG ASN A 77 -3.489 13.698 8.520 1.00 35.34 C ATOM 479 OD1 ASN A 77 -4.631 13.598 8.070 1.00 1.21 O ATOM 480 ND2 ASN A 77 -3.026 14.820 9.057 1.00 1.42 N ATOM 0 H ASN A 77 -2.500 13.033 5.786 1.00 2.44 H new ATOM 0 HA ASN A 77 -0.592 13.325 8.034 1.00 2.34 H new ATOM 0 HB2 ASN A 77 -3.077 11.625 8.186 1.00 5.01 H new ATOM 0 HB3 ASN A 77 -2.148 12.340 9.488 1.00 5.01 H new ATOM 0 HD21 ASN A 77 -3.624 15.645 9.109 1.00 1.42 H new ATOM 0 HD22 ASN A 77 -2.073 14.857 9.418 1.00 1.42 H new ATOM 487 N ALA A 78 -0.435 11.290 5.825 1.00 62.32 N ATOM 488 CA ALA A 78 0.147 10.062 5.297 1.00 73.21 C ATOM 489 C ALA A 78 1.240 10.366 4.279 1.00 63.25 C ATOM 490 O ALA A 78 1.703 9.476 3.566 1.00 50.23 O ATOM 491 CB ALA A 78 -0.934 9.193 4.670 1.00 22.14 C ATOM 0 H ALA A 78 -0.558 12.030 5.134 1.00 62.32 H new ATOM 0 HA ALA A 78 0.600 9.518 6.126 1.00 73.21 H new ATOM 0 HB1 ALA A 78 -0.486 8.279 4.280 1.00 22.14 H new ATOM 0 HB2 ALA A 78 -1.679 8.938 5.424 1.00 22.14 H new ATOM 0 HB3 ALA A 78 -1.413 9.738 3.857 1.00 22.14 H new ATOM 497 N GLY A 79 1.649 11.629 4.215 1.00 1.52 N ATOM 498 CA GLY A 79 2.685 12.028 3.280 1.00 12.10 C ATOM 499 C GLY A 79 2.773 13.533 3.120 1.00 63.23 C ATOM 500 O GLY A 79 3.727 14.157 3.584 1.00 52.13 O ATOM 0 H GLY A 79 1.281 12.384 4.794 1.00 1.52 H new ATOM 0 HA2 GLY A 79 3.646 11.645 3.623 1.00 12.10 H new ATOM 0 HA3 GLY A 79 2.489 11.573 2.309 1.00 12.10 H new ATOM 504 N GLN A 80 1.778 14.116 2.460 1.00 73.54 N ATOM 505 CA GLN A 80 1.749 15.556 2.237 1.00 2.35 C ATOM 506 C GLN A 80 3.034 16.029 1.565 1.00 1.04 C ATOM 507 O GLN A 80 3.404 17.199 1.666 1.00 34.53 O ATOM 508 CB GLN A 80 1.552 16.294 3.563 1.00 54.23 C ATOM 509 CG GLN A 80 0.798 17.607 3.422 1.00 73.32 C ATOM 510 CD GLN A 80 1.689 18.816 3.622 1.00 4.32 C ATOM 511 OE1 GLN A 80 1.768 19.694 2.762 1.00 72.53 O ATOM 512 NE2 GLN A 80 2.368 18.870 4.763 1.00 73.44 N ATOM 0 H GLN A 80 0.981 13.613 2.070 1.00 73.54 H new ATOM 0 HA GLN A 80 0.912 15.779 1.576 1.00 2.35 H new ATOM 0 HB2 GLN A 80 1.011 15.646 4.253 1.00 54.23 H new ATOM 0 HB3 GLN A 80 2.527 16.491 4.008 1.00 54.23 H new ATOM 0 HG2 GLN A 80 0.343 17.656 2.433 1.00 73.32 H new ATOM 0 HG3 GLN A 80 -0.014 17.635 4.148 1.00 73.32 H new ATOM 0 HE21 GLN A 80 2.273 18.121 5.449 1.00 73.44 H new ATOM 0 HE22 GLN A 80 2.984 19.661 4.953 1.00 73.44 H new ATOM 521 N GLN A 81 3.710 15.112 0.881 1.00 72.03 N ATOM 522 CA GLN A 81 4.954 15.436 0.193 1.00 22.11 C ATOM 523 C GLN A 81 4.751 15.458 -1.318 1.00 63.13 C ATOM 524 O GLN A 81 5.592 15.966 -2.059 1.00 24.30 O ATOM 525 CB GLN A 81 6.042 14.424 0.559 1.00 52.40 C ATOM 526 CG GLN A 81 7.376 15.065 0.908 1.00 73.23 C ATOM 527 CD GLN A 81 8.360 15.027 -0.244 1.00 62.15 C ATOM 528 OE1 GLN A 81 8.423 14.050 -0.991 1.00 34.30 O ATOM 529 NE2 GLN A 81 9.136 16.094 -0.396 1.00 24.34 N ATOM 0 H GLN A 81 3.417 14.139 0.788 1.00 72.03 H new ATOM 0 HA GLN A 81 5.269 16.429 0.513 1.00 22.11 H new ATOM 0 HB2 GLN A 81 5.702 13.828 1.406 1.00 52.40 H new ATOM 0 HB3 GLN A 81 6.185 13.739 -0.276 1.00 52.40 H new ATOM 0 HG2 GLN A 81 7.211 16.100 1.206 1.00 73.23 H new ATOM 0 HG3 GLN A 81 7.808 14.552 1.767 1.00 73.23 H new ATOM 0 HE21 GLN A 81 9.051 16.882 0.246 1.00 24.34 H new ATOM 0 HE22 GLN A 81 9.817 16.125 -1.155 1.00 24.34 H new ATOM 538 N GLU A 82 3.630 14.903 -1.768 1.00 51.31 N ATOM 539 CA GLU A 82 3.318 14.859 -3.192 1.00 23.21 C ATOM 540 C GLU A 82 3.244 16.266 -3.777 1.00 10.32 C ATOM 541 O GLU A 82 4.203 16.753 -4.377 1.00 32.25 O ATOM 542 CB GLU A 82 1.994 14.128 -3.424 1.00 64.42 C ATOM 543 CG GLU A 82 2.148 12.623 -3.574 1.00 0.33 C ATOM 544 CD GLU A 82 3.036 12.018 -2.504 1.00 45.50 C ATOM 545 OE1 GLU A 82 4.269 11.995 -2.700 1.00 25.24 O ATOM 546 OE2 GLU A 82 2.498 11.569 -1.471 1.00 31.03 O ATOM 0 H GLU A 82 2.923 14.478 -1.168 1.00 51.31 H new ATOM 0 HA GLU A 82 4.118 14.317 -3.696 1.00 23.21 H new ATOM 0 HB2 GLU A 82 1.323 14.335 -2.590 1.00 64.42 H new ATOM 0 HB3 GLU A 82 1.520 14.528 -4.321 1.00 64.42 H new ATOM 0 HG2 GLU A 82 1.165 12.155 -3.532 1.00 0.33 H new ATOM 0 HG3 GLU A 82 2.565 12.400 -4.556 1.00 0.33 H new ATOM 553 N PHE A 83 2.098 16.915 -3.598 1.00 40.12 N ATOM 554 CA PHE A 83 1.897 18.266 -4.109 1.00 73.01 C ATOM 555 C PHE A 83 2.916 19.231 -3.511 1.00 41.11 C ATOM 556 O PHE A 83 3.584 18.915 -2.527 1.00 5.45 O ATOM 557 CB PHE A 83 0.478 18.746 -3.796 1.00 41.30 C ATOM 558 CG PHE A 83 0.012 18.381 -2.416 1.00 25.14 C ATOM 559 CD1 PHE A 83 0.711 18.809 -1.298 1.00 40.44 C ATOM 560 CD2 PHE A 83 -1.124 17.608 -2.235 1.00 45.42 C ATOM 561 CE1 PHE A 83 0.285 18.475 -0.027 1.00 1.34 C ATOM 562 CE2 PHE A 83 -1.554 17.271 -0.966 1.00 15.50 C ATOM 563 CZ PHE A 83 -0.849 17.704 0.140 1.00 43.44 C ATOM 0 H PHE A 83 1.295 16.527 -3.103 1.00 40.12 H new ATOM 0 HA PHE A 83 2.036 18.243 -5.190 1.00 73.01 H new ATOM 0 HB2 PHE A 83 0.436 19.829 -3.910 1.00 41.30 H new ATOM 0 HB3 PHE A 83 -0.210 18.322 -4.527 1.00 41.30 H new ATOM 0 HD1 PHE A 83 1.599 19.411 -1.422 1.00 40.44 H new ATOM 0 HD2 PHE A 83 -1.679 17.265 -3.096 1.00 45.42 H new ATOM 0 HE1 PHE A 83 0.838 18.816 0.835 1.00 1.34 H new ATOM 0 HE2 PHE A 83 -2.442 16.669 -0.839 1.00 15.50 H new ATOM 0 HZ PHE A 83 -1.183 17.441 1.133 1.00 43.44 H new ATOM 573 N LYS A 84 3.030 20.410 -4.114 1.00 24.31 N ATOM 574 CA LYS A 84 3.967 21.423 -3.643 1.00 11.14 C ATOM 575 C LYS A 84 3.247 22.736 -3.351 1.00 32.34 C ATOM 576 O LYS A 84 3.805 23.817 -3.540 1.00 1.34 O ATOM 577 CB LYS A 84 5.067 21.653 -4.681 1.00 70.24 C ATOM 578 CG LYS A 84 5.730 20.372 -5.159 1.00 12.23 C ATOM 579 CD LYS A 84 6.613 20.620 -6.370 1.00 24.52 C ATOM 580 CE LYS A 84 7.931 21.269 -5.975 1.00 52.32 C ATOM 581 NZ LYS A 84 7.833 22.755 -5.959 1.00 4.25 N ATOM 0 H LYS A 84 2.485 20.687 -4.930 1.00 24.31 H new ATOM 0 HA LYS A 84 4.418 21.062 -2.719 1.00 11.14 H new ATOM 0 HB2 LYS A 84 4.642 22.174 -5.539 1.00 70.24 H new ATOM 0 HB3 LYS A 84 5.827 22.308 -4.254 1.00 70.24 H new ATOM 0 HG2 LYS A 84 6.328 19.948 -4.352 1.00 12.23 H new ATOM 0 HG3 LYS A 84 4.965 19.637 -5.410 1.00 12.23 H new ATOM 0 HD2 LYS A 84 6.809 19.676 -6.878 1.00 24.52 H new ATOM 0 HD3 LYS A 84 6.089 21.261 -7.079 1.00 24.52 H new ATOM 0 HE2 LYS A 84 8.230 20.914 -4.989 1.00 52.32 H new ATOM 0 HE3 LYS A 84 8.710 20.964 -6.673 1.00 52.32 H new ATOM 0 HZ1 LYS A 84 8.703 23.165 -6.354 1.00 4.25 H new ATOM 0 HZ2 LYS A 84 7.018 23.055 -6.531 1.00 4.25 H new ATOM 0 HZ3 LYS A 84 7.709 23.084 -4.980 1.00 4.25 H new ATOM 595 N LEU A 85 2.006 22.634 -2.888 1.00 33.00 N ATOM 596 CA LEU A 85 1.209 23.814 -2.568 1.00 24.40 C ATOM 597 C LEU A 85 0.336 23.565 -1.342 1.00 44.20 C ATOM 598 O LEU A 85 0.035 22.426 -0.984 1.00 43.25 O ATOM 599 CB LEU A 85 0.334 24.202 -3.761 1.00 63.41 C ATOM 600 CG LEU A 85 -0.324 23.045 -4.515 1.00 45.41 C ATOM 601 CD1 LEU A 85 0.689 22.346 -5.408 1.00 61.24 C ATOM 602 CD2 LEU A 85 -0.948 22.059 -3.539 1.00 62.20 C ATOM 0 H LEU A 85 1.530 21.747 -2.726 1.00 33.00 H new ATOM 0 HA LEU A 85 1.892 24.634 -2.345 1.00 24.40 H new ATOM 0 HB2 LEU A 85 -0.450 24.872 -3.408 1.00 63.41 H new ATOM 0 HB3 LEU A 85 0.944 24.768 -4.465 1.00 63.41 H new ATOM 0 HG LEU A 85 -1.115 23.450 -5.146 1.00 45.41 H new ATOM 0 HD11 LEU A 85 0.203 21.526 -5.937 1.00 61.24 H new ATOM 0 HD12 LEU A 85 1.089 23.057 -6.131 1.00 61.24 H new ATOM 0 HD13 LEU A 85 1.502 21.953 -4.798 1.00 61.24 H new ATOM 0 HD21 LEU A 85 -1.411 21.243 -4.093 1.00 62.20 H new ATOM 0 HD22 LEU A 85 -0.176 21.659 -2.882 1.00 62.20 H new ATOM 0 HD23 LEU A 85 -1.705 22.568 -2.942 1.00 62.20 H new ATOM 614 N PRO A 86 -0.082 24.656 -0.683 1.00 33.44 N ATOM 615 CA PRO A 86 -0.929 24.582 0.512 1.00 71.14 C ATOM 616 C PRO A 86 -2.344 24.112 0.191 1.00 50.51 C ATOM 617 O PRO A 86 -2.692 23.905 -0.972 1.00 20.43 O ATOM 618 CB PRO A 86 -0.947 26.025 1.023 1.00 34.40 C ATOM 619 CG PRO A 86 -0.680 26.857 -0.183 1.00 14.40 C ATOM 620 CD PRO A 86 0.238 26.044 -1.053 1.00 3.45 C ATOM 0 HA PRO A 86 -0.549 23.863 1.238 1.00 71.14 H new ATOM 0 HB2 PRO A 86 -1.909 26.274 1.471 1.00 34.40 H new ATOM 0 HB3 PRO A 86 -0.188 26.183 1.789 1.00 34.40 H new ATOM 0 HG2 PRO A 86 -1.606 27.093 -0.707 1.00 14.40 H new ATOM 0 HG3 PRO A 86 -0.219 27.805 0.092 1.00 14.40 H new ATOM 0 HD2 PRO A 86 0.057 26.230 -2.112 1.00 3.45 H new ATOM 0 HD3 PRO A 86 1.285 26.279 -0.863 1.00 3.45 H new ATOM 628 N LYS A 87 -3.157 23.947 1.229 1.00 52.53 N ATOM 629 CA LYS A 87 -4.536 23.504 1.058 1.00 3.23 C ATOM 630 C LYS A 87 -5.473 24.695 0.884 1.00 4.21 C ATOM 631 O LYS A 87 -6.694 24.538 0.861 1.00 5.41 O ATOM 632 CB LYS A 87 -4.976 22.667 2.261 1.00 33.12 C ATOM 633 CG LYS A 87 -4.059 21.492 2.553 1.00 31.11 C ATOM 634 CD LYS A 87 -2.964 21.870 3.537 1.00 52.15 C ATOM 635 CE LYS A 87 -2.469 20.659 4.312 1.00 21.00 C ATOM 636 NZ LYS A 87 -3.281 20.414 5.536 1.00 71.01 N ATOM 0 H LYS A 87 -2.885 24.113 2.198 1.00 52.53 H new ATOM 0 HA LYS A 87 -4.586 22.891 0.158 1.00 3.23 H new ATOM 0 HB2 LYS A 87 -5.023 23.308 3.141 1.00 33.12 H new ATOM 0 HB3 LYS A 87 -5.985 22.294 2.084 1.00 33.12 H new ATOM 0 HG2 LYS A 87 -4.643 20.665 2.957 1.00 31.11 H new ATOM 0 HG3 LYS A 87 -3.609 21.141 1.624 1.00 31.11 H new ATOM 0 HD2 LYS A 87 -2.132 22.325 3.000 1.00 52.15 H new ATOM 0 HD3 LYS A 87 -3.341 22.619 4.233 1.00 52.15 H new ATOM 0 HE2 LYS A 87 -2.504 19.778 3.671 1.00 21.00 H new ATOM 0 HE3 LYS A 87 -1.426 20.808 4.592 1.00 21.00 H new ATOM 0 HZ1 LYS A 87 -2.912 19.580 6.036 1.00 71.01 H new ATOM 0 HZ2 LYS A 87 -3.227 21.244 6.160 1.00 71.01 H new ATOM 0 HZ3 LYS A 87 -4.272 20.246 5.268 1.00 71.01 H new ATOM 650 N ASP A 88 -4.894 25.884 0.760 1.00 4.35 N ATOM 651 CA ASP A 88 -5.677 27.102 0.585 1.00 31.25 C ATOM 652 C ASP A 88 -6.112 27.264 -0.868 1.00 2.02 C ATOM 653 O ASP A 88 -6.808 28.218 -1.216 1.00 1.14 O ATOM 654 CB ASP A 88 -4.868 28.322 1.028 1.00 14.22 C ATOM 655 CG ASP A 88 -5.727 29.369 1.710 1.00 1.21 C ATOM 656 OD1 ASP A 88 -5.983 29.228 2.924 1.00 31.14 O ATOM 657 OD2 ASP A 88 -6.142 30.330 1.030 1.00 42.52 O ATOM 0 H ASP A 88 -3.885 26.031 0.777 1.00 4.35 H new ATOM 0 HA ASP A 88 -6.570 27.023 1.206 1.00 31.25 H new ATOM 0 HB2 ASP A 88 -4.079 28.003 1.709 1.00 14.22 H new ATOM 0 HB3 ASP A 88 -4.380 28.766 0.160 1.00 14.22 H new ATOM 662 N PHE A 89 -5.696 26.327 -1.713 1.00 22.53 N ATOM 663 CA PHE A 89 -6.040 26.366 -3.129 1.00 53.51 C ATOM 664 C PHE A 89 -7.429 25.780 -3.368 1.00 24.01 C ATOM 665 O PHE A 89 -7.895 25.699 -4.505 1.00 24.00 O ATOM 666 CB PHE A 89 -5.002 25.599 -3.950 1.00 40.12 C ATOM 667 CG PHE A 89 -5.172 25.760 -5.434 1.00 15.53 C ATOM 668 CD1 PHE A 89 -5.469 26.999 -5.980 1.00 2.14 C ATOM 669 CD2 PHE A 89 -5.036 24.674 -6.282 1.00 61.24 C ATOM 670 CE1 PHE A 89 -5.627 27.150 -7.344 1.00 61.02 C ATOM 671 CE2 PHE A 89 -5.193 24.819 -7.648 1.00 65.20 C ATOM 672 CZ PHE A 89 -5.487 26.059 -8.180 1.00 34.14 C ATOM 0 H PHE A 89 -5.120 25.531 -1.441 1.00 22.53 H new ATOM 0 HA PHE A 89 -6.045 27.409 -3.447 1.00 53.51 H new ATOM 0 HB2 PHE A 89 -4.005 25.938 -3.668 1.00 40.12 H new ATOM 0 HB3 PHE A 89 -5.062 24.540 -3.698 1.00 40.12 H new ATOM 0 HD1 PHE A 89 -5.578 27.856 -5.332 1.00 2.14 H new ATOM 0 HD2 PHE A 89 -4.805 23.702 -5.872 1.00 61.24 H new ATOM 0 HE1 PHE A 89 -5.860 28.120 -7.757 1.00 61.02 H new ATOM 0 HE2 PHE A 89 -5.086 23.963 -8.298 1.00 65.20 H new ATOM 0 HZ PHE A 89 -5.607 26.176 -9.247 1.00 34.14 H new ATOM 682 N THR A 90 -8.086 25.371 -2.287 1.00 24.31 N ATOM 683 CA THR A 90 -9.419 24.790 -2.377 1.00 73.04 C ATOM 684 C THR A 90 -10.496 25.854 -2.195 1.00 63.15 C ATOM 685 O THR A 90 -11.649 25.540 -1.904 1.00 0.44 O ATOM 686 CB THR A 90 -9.623 23.684 -1.324 1.00 51.35 C ATOM 687 OG1 THR A 90 -9.845 24.269 -0.036 1.00 41.34 O ATOM 688 CG2 THR A 90 -8.414 22.762 -1.267 1.00 55.30 C ATOM 0 H THR A 90 -7.716 25.432 -1.338 1.00 24.31 H new ATOM 0 HA THR A 90 -9.507 24.354 -3.372 1.00 73.04 H new ATOM 0 HB THR A 90 -10.495 23.096 -1.610 1.00 51.35 H new ATOM 0 HG1 THR A 90 -8.986 24.399 0.417 1.00 41.34 H new ATOM 0 HG21 THR A 90 -8.581 21.989 -0.517 1.00 55.30 H new ATOM 0 HG22 THR A 90 -8.266 22.296 -2.241 1.00 55.30 H new ATOM 0 HG23 THR A 90 -7.528 23.339 -1.002 1.00 55.30 H new ATOM 696 N GLY A 91 -10.111 27.115 -2.371 1.00 31.44 N ATOM 697 CA GLY A 91 -11.056 28.206 -2.222 1.00 72.11 C ATOM 698 C GLY A 91 -11.735 28.567 -3.528 1.00 60.15 C ATOM 699 O GLY A 91 -12.313 29.646 -3.658 1.00 4.30 O ATOM 0 H GLY A 91 -9.162 27.400 -2.614 1.00 31.44 H new ATOM 0 HA2 GLY A 91 -11.812 27.930 -1.487 1.00 72.11 H new ATOM 0 HA3 GLY A 91 -10.537 29.081 -1.832 1.00 72.11 H new ATOM 703 N ARG A 92 -11.664 27.663 -4.500 1.00 33.42 N ATOM 704 CA ARG A 92 -12.274 27.893 -5.804 1.00 35.22 C ATOM 705 C ARG A 92 -12.416 26.585 -6.576 1.00 71.43 C ATOM 706 O ARG A 92 -11.467 25.808 -6.681 1.00 21.00 O ATOM 707 CB ARG A 92 -11.440 28.887 -6.613 1.00 2.43 C ATOM 708 CG ARG A 92 -10.038 28.391 -6.928 1.00 0.53 C ATOM 709 CD ARG A 92 -9.971 27.749 -8.304 1.00 64.22 C ATOM 710 NE ARG A 92 -8.784 28.167 -9.046 1.00 53.32 N ATOM 711 CZ ARG A 92 -8.611 29.395 -9.522 1.00 44.14 C ATOM 712 NH1 ARG A 92 -9.541 30.320 -9.335 1.00 14.44 N ATOM 713 NH2 ARG A 92 -7.504 29.700 -10.188 1.00 24.53 N ATOM 0 H ARG A 92 -11.190 26.764 -4.409 1.00 33.42 H new ATOM 0 HA ARG A 92 -13.268 28.310 -5.643 1.00 35.22 H new ATOM 0 HB2 ARG A 92 -11.957 29.107 -7.547 1.00 2.43 H new ATOM 0 HB3 ARG A 92 -11.369 29.824 -6.060 1.00 2.43 H new ATOM 0 HG2 ARG A 92 -9.337 29.224 -6.879 1.00 0.53 H new ATOM 0 HG3 ARG A 92 -9.728 27.669 -6.173 1.00 0.53 H new ATOM 0 HD2 ARG A 92 -9.969 26.664 -8.198 1.00 64.22 H new ATOM 0 HD3 ARG A 92 -10.864 28.012 -8.871 1.00 64.22 H new ATOM 0 HE ARG A 92 -8.049 27.479 -9.207 1.00 53.32 H new ATOM 0 HH11 ARG A 92 -10.393 30.090 -8.824 1.00 14.44 H new ATOM 0 HH12 ARG A 92 -9.405 31.262 -9.702 1.00 14.44 H new ATOM 0 HH21 ARG A 92 -6.785 28.991 -10.335 1.00 24.53 H new ATOM 0 HH22 ARG A 92 -7.372 30.643 -10.553 1.00 24.53 H new ATOM 727 N SER A 93 -13.608 26.347 -7.115 1.00 1.50 N ATOM 728 CA SER A 93 -13.875 25.132 -7.874 1.00 74.51 C ATOM 729 C SER A 93 -15.211 25.230 -8.605 1.00 33.15 C ATOM 730 O SER A 93 -16.223 25.622 -8.023 1.00 51.41 O ATOM 731 CB SER A 93 -13.877 23.915 -6.946 1.00 12.52 C ATOM 732 OG SER A 93 -13.472 22.746 -7.636 1.00 52.24 O ATOM 0 H SER A 93 -14.404 26.980 -7.040 1.00 1.50 H new ATOM 0 HA SER A 93 -13.083 25.015 -8.614 1.00 74.51 H new ATOM 0 HB2 SER A 93 -13.208 24.094 -6.105 1.00 12.52 H new ATOM 0 HB3 SER A 93 -14.876 23.770 -6.534 1.00 12.52 H new ATOM 0 HG SER A 93 -13.027 22.135 -7.012 1.00 52.24 H new ATOM 738 N LYS A 94 -15.207 24.870 -9.884 1.00 2.53 N ATOM 739 CA LYS A 94 -16.417 24.916 -10.696 1.00 2.00 C ATOM 740 C LYS A 94 -17.548 24.139 -10.031 1.00 33.03 C ATOM 741 O LYS A 94 -18.723 24.464 -10.202 1.00 54.45 O ATOM 742 CB LYS A 94 -16.142 24.345 -12.089 1.00 53.52 C ATOM 743 CG LYS A 94 -17.331 24.441 -13.030 1.00 65.34 C ATOM 744 CD LYS A 94 -17.239 25.668 -13.922 1.00 64.42 C ATOM 745 CE LYS A 94 -16.190 25.489 -15.009 1.00 51.05 C ATOM 746 NZ LYS A 94 -16.705 24.682 -16.150 1.00 35.32 N ATOM 0 H LYS A 94 -14.378 24.543 -10.381 1.00 2.53 H new ATOM 0 HA LYS A 94 -16.722 25.958 -10.790 1.00 2.00 H new ATOM 0 HB2 LYS A 94 -15.297 24.874 -12.529 1.00 53.52 H new ATOM 0 HB3 LYS A 94 -15.849 23.300 -11.993 1.00 53.52 H new ATOM 0 HG2 LYS A 94 -17.381 23.544 -13.647 1.00 65.34 H new ATOM 0 HG3 LYS A 94 -18.253 24.480 -12.450 1.00 65.34 H new ATOM 0 HD2 LYS A 94 -18.209 25.860 -14.379 1.00 64.42 H new ATOM 0 HD3 LYS A 94 -16.993 26.541 -13.318 1.00 64.42 H new ATOM 0 HE2 LYS A 94 -15.871 26.467 -15.370 1.00 51.05 H new ATOM 0 HE3 LYS A 94 -15.310 25.002 -14.588 1.00 51.05 H new ATOM 0 HZ1 LYS A 94 -15.960 24.583 -16.869 1.00 35.32 H new ATOM 0 HZ2 LYS A 94 -16.986 23.740 -15.810 1.00 35.32 H new ATOM 0 HZ3 LYS A 94 -17.529 25.159 -16.568 1.00 35.32 H new ATOM 760 N CYS A 95 -17.187 23.111 -9.270 1.00 3.53 N ATOM 761 CA CYS A 95 -18.171 22.288 -8.577 1.00 42.33 C ATOM 762 C CYS A 95 -18.300 22.708 -7.116 1.00 2.31 C ATOM 763 O CYS A 95 -17.810 22.024 -6.217 1.00 72.02 O ATOM 764 CB CYS A 95 -17.781 20.811 -8.662 1.00 55.24 C ATOM 765 SG CYS A 95 -19.013 19.675 -7.946 1.00 45.41 S ATOM 0 H CYS A 95 -16.219 22.828 -9.118 1.00 3.53 H new ATOM 0 HA CYS A 95 -19.136 22.431 -9.064 1.00 42.33 H new ATOM 0 HB2 CYS A 95 -17.624 20.547 -9.708 1.00 55.24 H new ATOM 0 HB3 CYS A 95 -16.829 20.667 -8.150 1.00 55.24 H new ATOM 770 N ARG A 96 -18.962 23.838 -6.887 1.00 31.51 N ATOM 771 CA ARG A 96 -19.155 24.349 -5.535 1.00 41.45 C ATOM 772 C ARG A 96 -20.108 23.456 -4.747 1.00 1.34 C ATOM 773 O ARG A 96 -19.691 22.734 -3.841 1.00 13.10 O ATOM 774 CB ARG A 96 -19.699 25.779 -5.581 1.00 63.44 C ATOM 775 CG ARG A 96 -19.857 26.414 -4.210 1.00 13.21 C ATOM 776 CD ARG A 96 -18.509 26.679 -3.559 1.00 64.21 C ATOM 777 NE ARG A 96 -18.610 27.633 -2.458 1.00 60.20 N ATOM 778 CZ ARG A 96 -17.561 28.235 -1.909 1.00 12.15 C ATOM 779 NH1 ARG A 96 -16.339 27.984 -2.356 1.00 24.31 N ATOM 780 NH2 ARG A 96 -17.734 29.091 -0.910 1.00 13.33 N ATOM 0 H ARG A 96 -19.373 24.416 -7.620 1.00 31.51 H new ATOM 0 HA ARG A 96 -18.188 24.351 -5.032 1.00 41.45 H new ATOM 0 HB2 ARG A 96 -19.030 26.394 -6.182 1.00 63.44 H new ATOM 0 HB3 ARG A 96 -20.666 25.775 -6.084 1.00 63.44 H new ATOM 0 HG2 ARG A 96 -20.407 27.350 -4.303 1.00 13.21 H new ATOM 0 HG3 ARG A 96 -20.448 25.759 -3.570 1.00 13.21 H new ATOM 0 HD2 ARG A 96 -18.095 25.741 -3.189 1.00 64.21 H new ATOM 0 HD3 ARG A 96 -17.814 27.061 -4.307 1.00 64.21 H new ATOM 0 HE ARG A 96 -19.537 27.849 -2.091 1.00 60.20 H new ATOM 0 HH11 ARG A 96 -16.202 27.327 -3.124 1.00 24.31 H new ATOM 0 HH12 ARG A 96 -15.536 28.448 -1.932 1.00 24.31 H new ATOM 0 HH21 ARG A 96 -18.673 29.287 -0.563 1.00 13.33 H new ATOM 0 HH22 ARG A 96 -16.928 29.553 -0.489 1.00 13.33 H new ATOM 794 N SER A 97 -21.389 23.512 -5.097 1.00 20.42 N ATOM 795 CA SER A 97 -22.402 22.711 -4.419 1.00 0.21 C ATOM 796 C SER A 97 -23.497 22.284 -5.391 1.00 53.23 C ATOM 797 O SER A 97 -24.299 23.104 -5.841 1.00 12.22 O ATOM 798 CB SER A 97 -23.013 23.500 -3.259 1.00 31.31 C ATOM 799 OG SER A 97 -23.676 24.662 -3.725 1.00 43.15 O ATOM 0 H SER A 97 -21.750 24.103 -5.846 1.00 20.42 H new ATOM 0 HA SER A 97 -21.920 21.816 -4.027 1.00 0.21 H new ATOM 0 HB2 SER A 97 -23.717 22.869 -2.717 1.00 31.31 H new ATOM 0 HB3 SER A 97 -22.230 23.782 -2.555 1.00 31.31 H new ATOM 0 HG SER A 97 -24.020 24.502 -4.628 1.00 43.15 H new ATOM 805 N LEU A 98 -23.525 20.995 -5.712 1.00 51.41 N ATOM 806 CA LEU A 98 -24.522 20.457 -6.631 1.00 43.15 C ATOM 807 C LEU A 98 -25.725 19.909 -5.871 1.00 3.24 C ATOM 808 O LEU A 98 -25.714 18.768 -5.411 1.00 54.01 O ATOM 809 CB LEU A 98 -23.905 19.355 -7.495 1.00 51.41 C ATOM 810 CG LEU A 98 -23.232 19.814 -8.789 1.00 3.51 C ATOM 811 CD1 LEU A 98 -22.529 18.649 -9.467 1.00 43.14 C ATOM 812 CD2 LEU A 98 -24.252 20.444 -9.727 1.00 25.33 C ATOM 0 H LEU A 98 -22.869 20.303 -5.350 1.00 51.41 H new ATOM 0 HA LEU A 98 -24.862 21.268 -7.275 1.00 43.15 H new ATOM 0 HB2 LEU A 98 -23.168 18.821 -6.895 1.00 51.41 H new ATOM 0 HB3 LEU A 98 -24.687 18.640 -7.750 1.00 51.41 H new ATOM 0 HG LEU A 98 -22.484 20.567 -8.540 1.00 3.51 H new ATOM 0 HD11 LEU A 98 -22.056 18.995 -10.386 1.00 43.14 H new ATOM 0 HD12 LEU A 98 -21.770 18.243 -8.798 1.00 43.14 H new ATOM 0 HD13 LEU A 98 -23.257 17.873 -9.703 1.00 43.14 H new ATOM 0 HD21 LEU A 98 -23.755 20.765 -10.643 1.00 25.33 H new ATOM 0 HD22 LEU A 98 -25.023 19.713 -9.970 1.00 25.33 H new ATOM 0 HD23 LEU A 98 -24.709 21.306 -9.241 1.00 25.33 H new ATOM 824 N GLY A 99 -26.762 20.731 -5.743 1.00 74.21 N ATOM 825 CA GLY A 99 -27.960 20.310 -5.039 1.00 43.03 C ATOM 826 C GLY A 99 -27.692 19.984 -3.583 1.00 50.33 C ATOM 827 O GLY A 99 -28.287 19.061 -3.027 1.00 62.24 O ATOM 0 H GLY A 99 -26.794 21.681 -6.114 1.00 74.21 H new ATOM 0 HA2 GLY A 99 -28.710 21.099 -5.100 1.00 43.03 H new ATOM 0 HA3 GLY A 99 -28.379 19.434 -5.533 1.00 43.03 H new ATOM 831 N ARG A 100 -26.793 20.743 -2.964 1.00 74.04 N ATOM 832 CA ARG A 100 -26.446 20.528 -1.565 1.00 0.12 C ATOM 833 C ARG A 100 -26.941 21.682 -0.698 1.00 52.43 C ATOM 834 O ARG A 100 -26.149 22.488 -0.209 1.00 51.43 O ATOM 835 CB ARG A 100 -24.932 20.374 -1.411 1.00 22.00 C ATOM 836 CG ARG A 100 -24.384 19.097 -2.026 1.00 60.42 C ATOM 837 CD ARG A 100 -24.575 17.906 -1.100 1.00 74.43 C ATOM 838 NE ARG A 100 -23.804 16.745 -1.535 1.00 62.53 N ATOM 839 CZ ARG A 100 -24.103 16.024 -2.610 1.00 75.31 C ATOM 840 NH1 ARG A 100 -25.152 16.343 -3.355 1.00 53.44 N ATOM 841 NH2 ARG A 100 -23.353 14.981 -2.941 1.00 61.24 N ATOM 0 H ARG A 100 -26.292 21.512 -3.410 1.00 74.04 H new ATOM 0 HA ARG A 100 -26.934 19.612 -1.233 1.00 0.12 H new ATOM 0 HB2 ARG A 100 -24.439 21.230 -1.873 1.00 22.00 H new ATOM 0 HB3 ARG A 100 -24.679 20.394 -0.351 1.00 22.00 H new ATOM 0 HG2 ARG A 100 -24.884 18.905 -2.975 1.00 60.42 H new ATOM 0 HG3 ARG A 100 -23.324 19.223 -2.244 1.00 60.42 H new ATOM 0 HD2 ARG A 100 -24.276 18.182 -0.089 1.00 74.43 H new ATOM 0 HD3 ARG A 100 -25.632 17.644 -1.059 1.00 74.43 H new ATOM 0 HE ARG A 100 -22.991 16.472 -0.983 1.00 62.53 H new ATOM 0 HH11 ARG A 100 -25.732 17.144 -3.103 1.00 53.44 H new ATOM 0 HH12 ARG A 100 -25.379 15.788 -4.180 1.00 53.44 H new ATOM 0 HH21 ARG A 100 -22.546 14.732 -2.370 1.00 61.24 H new ATOM 0 HH22 ARG A 100 -23.584 14.428 -3.767 1.00 61.24 H new ATOM 855 N ILE A 101 -28.255 21.755 -0.514 1.00 1.25 N ATOM 856 CA ILE A 101 -28.855 22.810 0.294 1.00 41.00 C ATOM 857 C ILE A 101 -29.517 22.237 1.542 1.00 11.35 C ATOM 858 O ILE A 101 -30.158 22.960 2.306 1.00 73.41 O ATOM 859 CB ILE A 101 -29.900 23.607 -0.508 1.00 54.31 C ATOM 860 CG1 ILE A 101 -29.392 23.875 -1.926 1.00 61.21 C ATOM 861 CG2 ILE A 101 -30.226 24.914 0.199 1.00 53.40 C ATOM 862 CD1 ILE A 101 -28.104 24.668 -1.967 1.00 35.12 C ATOM 0 H ILE A 101 -28.924 21.097 -0.913 1.00 1.25 H new ATOM 0 HA ILE A 101 -28.047 23.480 0.589 1.00 41.00 H new ATOM 0 HB ILE A 101 -30.813 23.015 -0.575 1.00 54.31 H new ATOM 0 HG12 ILE A 101 -29.239 22.923 -2.434 1.00 61.21 H new ATOM 0 HG13 ILE A 101 -30.159 24.414 -2.482 1.00 61.21 H new ATOM 0 HG21 ILE A 101 -30.966 25.466 -0.380 1.00 53.40 H new ATOM 0 HG22 ILE A 101 -30.626 24.701 1.190 1.00 53.40 H new ATOM 0 HG23 ILE A 101 -29.320 25.512 0.294 1.00 53.40 H new ATOM 0 HD11 ILE A 101 -27.803 24.820 -3.004 1.00 35.12 H new ATOM 0 HD12 ILE A 101 -28.257 25.635 -1.488 1.00 35.12 H new ATOM 0 HD13 ILE A 101 -27.323 24.121 -1.439 1.00 35.12 H new ATOM 874 N LYS A 102 -29.356 20.934 1.746 1.00 52.12 N ATOM 875 CA LYS A 102 -29.935 20.263 2.903 1.00 31.35 C ATOM 876 C LYS A 102 -28.847 19.826 3.879 1.00 32.24 C ATOM 877 O LYS A 102 -27.754 19.434 3.471 1.00 61.24 O ATOM 878 CB LYS A 102 -30.753 19.048 2.458 1.00 12.42 C ATOM 879 CG LYS A 102 -32.037 19.413 1.733 1.00 62.24 C ATOM 880 CD LYS A 102 -32.500 18.290 0.820 1.00 64.50 C ATOM 881 CE LYS A 102 -34.005 18.330 0.605 1.00 1.04 C ATOM 882 NZ LYS A 102 -34.386 19.283 -0.473 1.00 41.33 N ATOM 0 H LYS A 102 -28.829 20.321 1.124 1.00 52.12 H new ATOM 0 HA LYS A 102 -30.592 20.970 3.410 1.00 31.35 H new ATOM 0 HB2 LYS A 102 -30.140 18.427 1.804 1.00 12.42 H new ATOM 0 HB3 LYS A 102 -30.998 18.445 3.332 1.00 12.42 H new ATOM 0 HG2 LYS A 102 -32.817 19.636 2.461 1.00 62.24 H new ATOM 0 HG3 LYS A 102 -31.880 20.319 1.147 1.00 62.24 H new ATOM 0 HD2 LYS A 102 -31.992 18.369 -0.141 1.00 64.50 H new ATOM 0 HD3 LYS A 102 -32.219 17.329 1.252 1.00 64.50 H new ATOM 0 HE2 LYS A 102 -34.362 17.332 0.350 1.00 1.04 H new ATOM 0 HE3 LYS A 102 -34.497 18.617 1.534 1.00 1.04 H new ATOM 0 HZ1 LYS A 102 -35.420 19.281 -0.589 1.00 41.33 H new ATOM 0 HZ2 LYS A 102 -34.068 20.240 -0.219 1.00 41.33 H new ATOM 0 HZ3 LYS A 102 -33.937 18.995 -1.366 1.00 41.33 H new TER 896 LYS A 102