USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot -164:sc= 0.00137 USER MOD Set 1.2: A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 MET CE :methyl -121:sc= 0 (180deg=-0.0028) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -57:sc= 0.149 USER MOD Single : A 36 TYR OH : rot 132:sc= 0.38 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= -0.102 (180deg=-0.781) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.487 (180deg=-1.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -117:sc= -0.184 (180deg=-1.56!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.316) USER MOD Single : A 79 ASN : amide:sc= -1.43 K(o=-1.4,f=-9.3!) USER MOD Single : A 80 THR OG1 : rot 180:sc=0.000398 USER MOD Single : A 83 TYR OH : rot 180:sc= -5.07! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00328) USER MOD Single : A 104 THR OG1 : rot -74:sc= 0.912 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.185 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.003 8.999 -4.882 1.00 0.00 N ATOM 2 CA MET A 23 5.837 7.555 -4.831 1.00 0.00 C ATOM 3 C MET A 23 6.591 6.959 -3.641 1.00 0.00 C ATOM 4 O MET A 23 7.812 7.076 -3.552 1.00 0.00 O ATOM 5 CB MET A 23 6.360 6.935 -6.128 1.00 0.00 C ATOM 6 CG MET A 23 5.884 5.488 -6.274 1.00 0.00 C ATOM 7 SD MET A 23 5.853 5.027 -7.999 1.00 0.00 S ATOM 8 CE MET A 23 7.604 4.882 -8.312 1.00 0.00 C ATOM 0 HA MET A 23 4.776 7.334 -4.714 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.017 7.522 -6.980 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.450 6.966 -6.137 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.547 4.821 -5.723 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.889 5.378 -5.842 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.890 5.572 -9.106 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.157 5.124 -7.405 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.836 3.861 -8.617 1.00 0.00 H new ATOM 18 N ARG A 24 5.831 6.333 -2.754 1.00 0.00 N ATOM 19 CA ARG A 24 6.411 5.720 -1.572 1.00 0.00 C ATOM 20 C ARG A 24 6.637 4.225 -1.807 1.00 0.00 C ATOM 21 O ARG A 24 5.953 3.611 -2.624 1.00 0.00 O ATOM 22 CB ARG A 24 5.505 5.905 -0.353 1.00 0.00 C ATOM 23 CG ARG A 24 5.645 7.316 0.223 1.00 0.00 C ATOM 24 CD ARG A 24 6.617 7.333 1.404 1.00 0.00 C ATOM 25 NE ARG A 24 7.946 7.806 0.959 1.00 0.00 N ATOM 26 CZ ARG A 24 8.972 8.053 1.785 1.00 0.00 C ATOM 27 NH1 ARG A 24 8.827 7.874 3.104 1.00 0.00 N ATOM 28 NH2 ARG A 24 10.143 8.478 1.291 1.00 0.00 N ATOM 0 H ARG A 24 4.818 6.237 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 24 7.365 6.211 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.468 5.724 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.760 5.170 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.998 7.996 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.669 7.679 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.235 7.984 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.702 6.333 1.830 1.00 0.00 H new ATOM 0 HE ARG A 24 8.091 7.954 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.936 7.550 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.608 8.062 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.254 8.614 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.924 8.666 1.920 1.00 0.00 H new ATOM 42 N GLU A 25 7.600 3.682 -1.077 1.00 0.00 N ATOM 43 CA GLU A 25 7.924 2.270 -1.196 1.00 0.00 C ATOM 44 C GLU A 25 7.719 1.563 0.145 1.00 0.00 C ATOM 45 O GLU A 25 8.138 2.067 1.187 1.00 0.00 O ATOM 46 CB GLU A 25 9.354 2.077 -1.705 1.00 0.00 C ATOM 47 CG GLU A 25 9.451 2.393 -3.198 1.00 0.00 C ATOM 48 CD GLU A 25 10.712 3.203 -3.507 1.00 0.00 C ATOM 49 OE1 GLU A 25 10.958 4.176 -2.759 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.401 2.834 -4.481 1.00 0.00 O ATOM 0 H GLU A 25 8.167 4.194 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 25 7.250 1.823 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.032 2.723 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.672 1.050 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.462 1.465 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.570 2.951 -3.513 1.00 0.00 H new ATOM 57 N TYR A 26 7.075 0.408 0.077 1.00 0.00 N ATOM 58 CA TYR A 26 6.810 -0.375 1.273 1.00 0.00 C ATOM 59 C TYR A 26 7.353 -1.797 1.130 1.00 0.00 C ATOM 60 O TYR A 26 7.307 -2.377 0.046 1.00 0.00 O ATOM 61 CB TYR A 26 5.287 -0.433 1.409 1.00 0.00 C ATOM 62 CG TYR A 26 4.612 0.940 1.424 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.042 1.913 2.302 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.569 1.204 0.558 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.405 3.204 2.316 1.00 0.00 C ATOM 66 CE2 TYR A 26 2.931 2.496 0.572 1.00 0.00 C ATOM 67 CZ TYR A 26 3.382 3.432 1.449 1.00 0.00 C ATOM 68 OH TYR A 26 2.781 4.652 1.462 1.00 0.00 O ATOM 0 H TYR A 26 6.728 -0.006 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 26 7.291 0.076 2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.881 -1.018 0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.034 -0.961 2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.857 1.706 2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.232 0.442 -0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.732 3.974 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.113 2.716 -0.099 1.00 0.00 H new ATOM 0 HH TYR A 26 1.923 4.599 0.992 1.00 0.00 H new ATOM 78 N PRO A 27 7.867 -2.334 2.269 1.00 0.00 N ATOM 79 CA PRO A 27 8.417 -3.678 2.281 1.00 0.00 C ATOM 80 C PRO A 27 7.304 -4.728 2.249 1.00 0.00 C ATOM 81 O PRO A 27 6.127 -4.391 2.362 1.00 0.00 O ATOM 82 CB PRO A 27 9.262 -3.747 3.542 1.00 0.00 C ATOM 83 CG PRO A 27 8.785 -2.605 4.426 1.00 0.00 C ATOM 84 CD PRO A 27 7.938 -1.677 3.570 1.00 0.00 C ATOM 0 HA PRO A 27 9.022 -3.891 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.138 -4.707 4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.322 -3.644 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.203 -2.988 5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.635 -2.067 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.945 -1.539 3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.391 -0.689 3.490 1.00 0.00 H new ATOM 92 N VAL A 28 7.716 -5.977 2.093 1.00 0.00 N ATOM 93 CA VAL A 28 6.768 -7.077 2.046 1.00 0.00 C ATOM 94 C VAL A 28 7.077 -8.061 3.176 1.00 0.00 C ATOM 95 O VAL A 28 8.156 -8.648 3.215 1.00 0.00 O ATOM 96 CB VAL A 28 6.794 -7.730 0.663 1.00 0.00 C ATOM 97 CG1 VAL A 28 8.204 -8.207 0.306 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.790 -8.881 0.580 1.00 0.00 C ATOM 0 H VAL A 28 8.694 -6.252 1.998 1.00 0.00 H new ATOM 0 HA VAL A 28 5.753 -6.712 2.201 1.00 0.00 H new ATOM 0 HB VAL A 28 6.501 -6.976 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.193 -8.667 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.886 -7.357 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.538 -8.937 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.829 -9.327 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.039 -9.635 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.785 -8.502 0.768 1.00 0.00 H new ATOM 108 N LYS A 29 6.109 -8.210 4.069 1.00 0.00 N ATOM 109 CA LYS A 29 6.264 -9.112 5.196 1.00 0.00 C ATOM 110 C LYS A 29 6.367 -10.550 4.684 1.00 0.00 C ATOM 111 O LYS A 29 5.729 -10.908 3.694 1.00 0.00 O ATOM 112 CB LYS A 29 5.139 -8.901 6.211 1.00 0.00 C ATOM 113 CG LYS A 29 5.303 -9.829 7.415 1.00 0.00 C ATOM 114 CD LYS A 29 5.913 -9.083 8.603 1.00 0.00 C ATOM 115 CE LYS A 29 7.438 -9.028 8.491 1.00 0.00 C ATOM 116 NZ LYS A 29 8.054 -8.937 9.834 1.00 0.00 N ATOM 0 H LYS A 29 5.215 -7.721 4.034 1.00 0.00 H new ATOM 0 HA LYS A 29 7.189 -8.896 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.136 -7.864 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.176 -9.085 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.333 -10.239 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.939 -10.672 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.511 -8.071 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.631 -9.578 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.803 -9.917 7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.734 -8.168 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.089 -8.901 9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.719 -8.076 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.787 -9.771 10.396 1.00 0.00 H new ATOM 130 N LYS A 30 7.176 -11.336 5.379 1.00 0.00 N ATOM 131 CA LYS A 30 7.371 -12.727 5.006 1.00 0.00 C ATOM 132 C LYS A 30 6.048 -13.480 5.155 1.00 0.00 C ATOM 133 O LYS A 30 5.628 -13.791 6.270 1.00 0.00 O ATOM 134 CB LYS A 30 8.521 -13.340 5.807 1.00 0.00 C ATOM 135 CG LYS A 30 9.268 -14.387 4.980 1.00 0.00 C ATOM 136 CD LYS A 30 9.005 -15.797 5.511 1.00 0.00 C ATOM 137 CE LYS A 30 10.187 -16.300 6.341 1.00 0.00 C ATOM 138 NZ LYS A 30 9.743 -16.661 7.708 1.00 0.00 N ATOM 0 H LYS A 30 7.704 -11.036 6.198 1.00 0.00 H new ATOM 0 HA LYS A 30 7.666 -12.803 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.212 -12.556 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.132 -13.799 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.955 -14.323 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.338 -14.179 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.102 -15.797 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.827 -16.476 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.636 -17.167 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.957 -15.530 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.557 -17.001 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.335 -15.825 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.025 -17.411 7.653 1.00 0.00 H new ATOM 152 N GLY A 31 5.429 -13.753 4.017 1.00 0.00 N ATOM 153 CA GLY A 31 4.161 -14.465 4.006 1.00 0.00 C ATOM 154 C GLY A 31 3.056 -13.606 3.388 1.00 0.00 C ATOM 155 O GLY A 31 2.275 -14.089 2.569 1.00 0.00 O ATOM 0 H GLY A 31 5.781 -13.494 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.265 -15.392 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.886 -14.741 5.024 1.00 0.00 H new ATOM 159 N PHE A 32 3.024 -12.349 3.804 1.00 0.00 N ATOM 160 CA PHE A 32 2.027 -11.419 3.301 1.00 0.00 C ATOM 161 C PHE A 32 1.881 -11.540 1.783 1.00 0.00 C ATOM 162 O PHE A 32 2.770 -12.057 1.109 1.00 0.00 O ATOM 163 CB PHE A 32 2.517 -10.011 3.643 1.00 0.00 C ATOM 164 CG PHE A 32 1.943 -9.451 4.947 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.111 -10.134 6.112 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.263 -8.274 4.941 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.579 -9.616 7.321 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.731 -7.755 6.151 1.00 0.00 C ATOM 169 CZ PHE A 32 0.900 -8.437 7.316 1.00 0.00 C ATOM 0 H PHE A 32 3.673 -11.952 4.484 1.00 0.00 H new ATOM 0 HA PHE A 32 1.058 -11.633 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.605 -10.023 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.257 -9.339 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.649 -11.070 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.127 -7.734 4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.713 -10.158 8.246 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.192 -6.819 6.146 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.495 -8.043 8.236 1.00 0.00 H new ATOM 179 N PRO A 33 0.721 -11.044 1.277 1.00 0.00 N ATOM 180 CA PRO A 33 0.446 -11.091 -0.149 1.00 0.00 C ATOM 181 C PRO A 33 1.264 -10.040 -0.900 1.00 0.00 C ATOM 182 O PRO A 33 1.249 -8.863 -0.543 1.00 0.00 O ATOM 183 CB PRO A 33 -1.054 -10.873 -0.269 1.00 0.00 C ATOM 184 CG PRO A 33 -1.490 -10.250 1.048 1.00 0.00 C ATOM 185 CD PRO A 33 -0.356 -10.426 2.045 1.00 0.00 C ATOM 0 HA PRO A 33 0.734 -12.040 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.288 -10.217 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.573 -11.815 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.719 -9.193 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.398 -10.728 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.045 -9.469 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.658 -11.057 2.881 1.00 0.00 H new ATOM 193 N THR A 34 1.960 -10.503 -1.929 1.00 0.00 N ATOM 194 CA THR A 34 2.784 -9.617 -2.734 1.00 0.00 C ATOM 195 C THR A 34 2.571 -9.900 -4.223 1.00 0.00 C ATOM 196 O THR A 34 3.482 -9.714 -5.030 1.00 0.00 O ATOM 197 CB THR A 34 4.238 -9.784 -2.286 1.00 0.00 C ATOM 198 OG1 THR A 34 4.882 -8.601 -2.746 1.00 0.00 O ATOM 199 CG2 THR A 34 4.953 -10.913 -3.030 1.00 0.00 C ATOM 0 H THR A 34 1.970 -11.480 -2.223 1.00 0.00 H new ATOM 0 HA THR A 34 2.503 -8.574 -2.588 1.00 0.00 H new ATOM 0 HB THR A 34 4.267 -9.981 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.756 -8.515 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.981 -10.989 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.435 -11.854 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.953 -10.701 -4.099 1.00 0.00 H new ATOM 207 N ASP A 35 1.366 -10.344 -4.543 1.00 0.00 N ATOM 208 CA ASP A 35 1.023 -10.652 -5.920 1.00 0.00 C ATOM 209 C ASP A 35 -0.210 -9.844 -6.329 1.00 0.00 C ATOM 210 O ASP A 35 -1.054 -9.529 -5.491 1.00 0.00 O ATOM 211 CB ASP A 35 0.690 -12.137 -6.085 1.00 0.00 C ATOM 212 CG ASP A 35 1.529 -12.875 -7.131 1.00 0.00 C ATOM 213 OD1 ASP A 35 1.481 -12.443 -8.303 1.00 0.00 O ATOM 214 OD2 ASP A 35 2.196 -13.855 -6.736 1.00 0.00 O ATOM 0 H ASP A 35 0.614 -10.498 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 35 1.881 -10.402 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.819 -12.632 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.362 -12.230 -6.353 1.00 0.00 H new ATOM 219 N TYR A 36 -0.275 -9.533 -7.614 1.00 0.00 N ATOM 220 CA TYR A 36 -1.392 -8.767 -8.144 1.00 0.00 C ATOM 221 C TYR A 36 -2.727 -9.403 -7.753 1.00 0.00 C ATOM 222 O TYR A 36 -3.582 -8.747 -7.162 1.00 0.00 O ATOM 223 CB TYR A 36 -1.246 -8.806 -9.666 1.00 0.00 C ATOM 224 CG TYR A 36 -0.367 -7.691 -10.236 1.00 0.00 C ATOM 225 CD1 TYR A 36 1.004 -7.755 -10.100 1.00 0.00 C ATOM 226 CD2 TYR A 36 -0.947 -6.622 -10.888 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.831 -6.706 -10.636 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.120 -5.572 -11.425 1.00 0.00 C ATOM 229 CZ TYR A 36 1.228 -5.666 -11.273 1.00 0.00 C ATOM 230 OH TYR A 36 2.009 -4.675 -11.780 1.00 0.00 O ATOM 0 H TYR A 36 0.427 -9.797 -8.305 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.382 -7.751 -7.750 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.826 -9.769 -9.956 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.236 -8.741 -10.117 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.457 -8.593 -9.591 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.020 -6.573 -10.996 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.906 -6.744 -10.535 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.561 -4.729 -11.937 1.00 0.00 H new ATOM 0 HH TYR A 36 1.735 -4.482 -12.701 1.00 0.00 H new ATOM 240 N ASP A 37 -2.864 -10.674 -8.101 1.00 0.00 N ATOM 241 CA ASP A 37 -4.081 -11.408 -7.795 1.00 0.00 C ATOM 242 C ASP A 37 -4.236 -11.518 -6.277 1.00 0.00 C ATOM 243 O ASP A 37 -5.287 -11.189 -5.731 1.00 0.00 O ATOM 244 CB ASP A 37 -4.030 -12.824 -8.370 1.00 0.00 C ATOM 245 CG ASP A 37 -4.327 -12.925 -9.867 1.00 0.00 C ATOM 246 OD1 ASP A 37 -4.103 -11.911 -10.561 1.00 0.00 O ATOM 247 OD2 ASP A 37 -4.773 -14.016 -10.285 1.00 0.00 O ATOM 0 H ASP A 37 -2.152 -11.215 -8.592 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.920 -10.870 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.040 -13.241 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.745 -13.445 -7.830 1.00 0.00 H new ATOM 252 N SER A 38 -3.172 -11.984 -5.638 1.00 0.00 N ATOM 253 CA SER A 38 -3.177 -12.142 -4.194 1.00 0.00 C ATOM 254 C SER A 38 -3.662 -10.854 -3.528 1.00 0.00 C ATOM 255 O SER A 38 -4.539 -10.889 -2.665 1.00 0.00 O ATOM 256 CB SER A 38 -1.787 -12.517 -3.676 1.00 0.00 C ATOM 257 OG SER A 38 -1.770 -13.811 -3.079 1.00 0.00 O ATOM 0 H SER A 38 -2.301 -12.257 -6.094 1.00 0.00 H new ATOM 0 HA SER A 38 -3.860 -12.953 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.074 -12.488 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.461 -11.777 -2.946 1.00 0.00 H new ATOM 0 HG SER A 38 -0.865 -14.013 -2.763 1.00 0.00 H new ATOM 263 N ILE A 39 -3.071 -9.746 -3.952 1.00 0.00 N ATOM 264 CA ILE A 39 -3.431 -8.450 -3.407 1.00 0.00 C ATOM 265 C ILE A 39 -4.885 -8.136 -3.766 1.00 0.00 C ATOM 266 O ILE A 39 -5.641 -7.636 -2.935 1.00 0.00 O ATOM 267 CB ILE A 39 -2.441 -7.379 -3.869 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.007 -7.764 -3.497 1.00 0.00 C ATOM 269 CG2 ILE A 39 -2.825 -6.004 -3.323 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.018 -7.294 -4.565 1.00 0.00 C ATOM 0 H ILE A 39 -2.345 -9.720 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.365 -8.465 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.487 -7.316 -4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.746 -7.322 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.936 -8.845 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.105 -5.262 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.820 -5.736 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.825 -6.032 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.993 -7.580 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.267 -7.756 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.074 -6.210 -4.661 1.00 0.00 H new ATOM 282 N LYS A 40 -5.234 -8.444 -5.007 1.00 0.00 N ATOM 283 CA LYS A 40 -6.584 -8.202 -5.488 1.00 0.00 C ATOM 284 C LYS A 40 -7.587 -8.810 -4.506 1.00 0.00 C ATOM 285 O LYS A 40 -8.540 -8.148 -4.098 1.00 0.00 O ATOM 286 CB LYS A 40 -6.742 -8.711 -6.921 1.00 0.00 C ATOM 287 CG LYS A 40 -7.447 -7.674 -7.798 1.00 0.00 C ATOM 288 CD LYS A 40 -8.932 -7.573 -7.440 1.00 0.00 C ATOM 289 CE LYS A 40 -9.689 -8.826 -7.885 1.00 0.00 C ATOM 290 NZ LYS A 40 -10.156 -9.593 -6.708 1.00 0.00 N ATOM 0 H LYS A 40 -4.605 -8.859 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.787 -7.132 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.762 -8.940 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.313 -9.640 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.972 -6.701 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.340 -7.947 -8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.042 -7.440 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.366 -6.693 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.541 -8.543 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.041 -9.451 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.615 -10.478 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.015 -9.027 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.167 -9.813 -6.816 1.00 0.00 H new ATOM 304 N ARG A 41 -7.337 -10.063 -4.153 1.00 0.00 N ATOM 305 CA ARG A 41 -8.206 -10.766 -3.225 1.00 0.00 C ATOM 306 C ARG A 41 -8.337 -9.980 -1.920 1.00 0.00 C ATOM 307 O ARG A 41 -9.434 -9.847 -1.378 1.00 0.00 O ATOM 308 CB ARG A 41 -7.667 -12.164 -2.918 1.00 0.00 C ATOM 309 CG ARG A 41 -8.153 -13.180 -3.956 1.00 0.00 C ATOM 310 CD ARG A 41 -7.315 -13.100 -5.234 1.00 0.00 C ATOM 311 NE ARG A 41 -7.684 -14.202 -6.150 1.00 0.00 N ATOM 312 CZ ARG A 41 -8.849 -14.272 -6.810 1.00 0.00 C ATOM 313 NH1 ARG A 41 -9.763 -13.306 -6.659 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.097 -15.310 -7.620 1.00 0.00 N ATOM 0 H ARG A 41 -6.545 -10.609 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.185 -10.861 -3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.577 -12.143 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.990 -12.472 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.095 -14.186 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.201 -12.993 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.475 -12.140 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.255 -13.160 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.010 -14.955 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.573 -12.516 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.649 -13.359 -7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.400 -16.046 -7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.983 -15.364 -8.123 1.00 0.00 H new ATOM 328 N LYS A 42 -7.203 -9.479 -1.451 1.00 0.00 N ATOM 329 CA LYS A 42 -7.179 -8.709 -0.220 1.00 0.00 C ATOM 330 C LYS A 42 -8.020 -7.443 -0.396 1.00 0.00 C ATOM 331 O LYS A 42 -8.823 -7.101 0.471 1.00 0.00 O ATOM 332 CB LYS A 42 -5.737 -8.434 0.211 1.00 0.00 C ATOM 333 CG LYS A 42 -5.353 -9.286 1.423 1.00 0.00 C ATOM 334 CD LYS A 42 -5.296 -8.437 2.694 1.00 0.00 C ATOM 335 CE LYS A 42 -6.479 -8.750 3.615 1.00 0.00 C ATOM 336 NZ LYS A 42 -7.062 -7.499 4.151 1.00 0.00 N ATOM 0 H LYS A 42 -6.295 -9.592 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.628 -9.279 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.060 -8.647 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.622 -7.378 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.078 -10.090 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.384 -9.754 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.360 -8.626 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.305 -7.379 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.238 -9.306 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.150 -9.386 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.863 -7.728 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.339 -6.983 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.394 -6.906 3.364 1.00 0.00 H new ATOM 350 N ILE A 43 -7.807 -6.783 -1.524 1.00 0.00 N ATOM 351 CA ILE A 43 -8.535 -5.562 -1.826 1.00 0.00 C ATOM 352 C ILE A 43 -10.034 -5.867 -1.870 1.00 0.00 C ATOM 353 O ILE A 43 -10.822 -5.221 -1.179 1.00 0.00 O ATOM 354 CB ILE A 43 -8.000 -4.921 -3.107 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.589 -4.370 -2.897 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.961 -3.852 -3.630 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.729 -4.569 -4.147 1.00 0.00 C ATOM 0 H ILE A 43 -7.140 -7.070 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.382 -4.822 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.933 -5.694 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.642 -3.309 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.123 -4.869 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.556 -3.413 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.928 -4.306 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.085 -3.074 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.731 -4.168 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.658 -5.633 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.185 -4.048 -4.989 1.00 0.00 H new ATOM 369 N SER A 44 -10.383 -6.847 -2.689 1.00 0.00 N ATOM 370 CA SER A 44 -11.773 -7.244 -2.831 1.00 0.00 C ATOM 371 C SER A 44 -12.274 -7.871 -1.529 1.00 0.00 C ATOM 372 O SER A 44 -13.475 -7.873 -1.260 1.00 0.00 O ATOM 373 CB SER A 44 -11.949 -8.223 -3.994 1.00 0.00 C ATOM 374 OG SER A 44 -13.319 -8.546 -4.218 1.00 0.00 O ATOM 0 H SER A 44 -9.727 -7.378 -3.262 1.00 0.00 H new ATOM 0 HA SER A 44 -12.363 -6.354 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.526 -7.789 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.391 -9.136 -3.787 1.00 0.00 H new ATOM 0 HG SER A 44 -13.389 -9.172 -4.969 1.00 0.00 H new ATOM 380 N GLU A 45 -11.331 -8.388 -0.757 1.00 0.00 N ATOM 381 CA GLU A 45 -11.662 -9.017 0.512 1.00 0.00 C ATOM 382 C GLU A 45 -12.074 -7.958 1.537 1.00 0.00 C ATOM 383 O GLU A 45 -13.025 -8.154 2.290 1.00 0.00 O ATOM 384 CB GLU A 45 -10.495 -9.857 1.029 1.00 0.00 C ATOM 385 CG GLU A 45 -10.555 -11.281 0.473 1.00 0.00 C ATOM 386 CD GLU A 45 -10.873 -12.289 1.581 1.00 0.00 C ATOM 387 OE1 GLU A 45 -10.166 -12.243 2.609 1.00 0.00 O ATOM 388 OE2 GLU A 45 -11.817 -13.081 1.373 1.00 0.00 O ATOM 0 H GLU A 45 -10.337 -8.385 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.506 -9.689 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.552 -9.391 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.518 -9.887 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.315 -11.339 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.602 -11.534 0.008 1.00 0.00 H new ATOM 395 N LEU A 46 -11.334 -6.858 1.533 1.00 0.00 N ATOM 396 CA LEU A 46 -11.610 -5.768 2.454 1.00 0.00 C ATOM 397 C LEU A 46 -12.816 -4.973 1.950 1.00 0.00 C ATOM 398 O LEU A 46 -13.420 -4.211 2.704 1.00 0.00 O ATOM 399 CB LEU A 46 -10.357 -4.916 2.664 1.00 0.00 C ATOM 400 CG LEU A 46 -10.231 -3.675 1.777 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.549 -2.404 2.566 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.854 -3.610 1.116 1.00 0.00 C ATOM 0 H LEU A 46 -10.544 -6.699 0.907 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.873 -6.157 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.329 -4.597 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.482 -5.545 2.500 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.968 -3.751 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.452 -1.537 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.568 -2.459 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.853 -2.310 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.792 -2.719 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.083 -3.569 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.704 -4.496 0.499 1.00 0.00 H new ATOM 414 N GLY A 47 -13.132 -5.178 0.680 1.00 0.00 N ATOM 415 CA GLY A 47 -14.255 -4.491 0.067 1.00 0.00 C ATOM 416 C GLY A 47 -13.790 -3.243 -0.688 1.00 0.00 C ATOM 417 O GLY A 47 -14.496 -2.238 -0.727 1.00 0.00 O ATOM 0 H GLY A 47 -12.629 -5.811 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.768 -5.165 -0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.976 -4.209 0.834 1.00 0.00 H new ATOM 421 N PHE A 48 -12.603 -3.351 -1.267 1.00 0.00 N ATOM 422 CA PHE A 48 -12.035 -2.245 -2.019 1.00 0.00 C ATOM 423 C PHE A 48 -12.135 -2.495 -3.524 1.00 0.00 C ATOM 424 O PHE A 48 -11.981 -3.626 -3.981 1.00 0.00 O ATOM 425 CB PHE A 48 -10.559 -2.149 -1.627 1.00 0.00 C ATOM 426 CG PHE A 48 -10.284 -1.180 -0.474 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.300 -0.779 0.335 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.021 -0.721 -0.261 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.043 0.121 1.403 1.00 0.00 C ATOM 430 CE2 PHE A 48 -8.764 0.178 0.808 1.00 0.00 C ATOM 431 CZ PHE A 48 -9.782 0.580 1.618 1.00 0.00 C ATOM 0 H PHE A 48 -12.019 -4.187 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.577 -1.326 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.202 -3.140 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.982 -1.836 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.302 -1.145 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.214 -1.040 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.850 0.441 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.762 0.543 0.978 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.587 1.264 2.431 1.00 0.00 H new ATOM 441 N ASP A 49 -12.394 -1.420 -4.255 1.00 0.00 N ATOM 442 CA ASP A 49 -12.515 -1.509 -5.700 1.00 0.00 C ATOM 443 C ASP A 49 -11.120 -1.599 -6.322 1.00 0.00 C ATOM 444 O ASP A 49 -10.167 -1.024 -5.799 1.00 0.00 O ATOM 445 CB ASP A 49 -13.208 -0.271 -6.272 1.00 0.00 C ATOM 446 CG ASP A 49 -14.481 -0.552 -7.073 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.411 -1.434 -7.956 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.495 0.118 -6.783 1.00 0.00 O ATOM 0 H ASP A 49 -12.523 -0.483 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.106 -2.394 -5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.455 0.400 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.503 0.257 -6.914 1.00 0.00 H new ATOM 453 N VAL A 50 -11.045 -2.326 -7.427 1.00 0.00 N ATOM 454 CA VAL A 50 -9.782 -2.498 -8.125 1.00 0.00 C ATOM 455 C VAL A 50 -10.051 -2.656 -9.623 1.00 0.00 C ATOM 456 O VAL A 50 -11.006 -3.319 -10.020 1.00 0.00 O ATOM 457 CB VAL A 50 -9.012 -3.678 -7.527 1.00 0.00 C ATOM 458 CG1 VAL A 50 -7.912 -3.191 -6.582 1.00 0.00 C ATOM 459 CG2 VAL A 50 -9.958 -4.647 -6.814 1.00 0.00 C ATOM 0 H VAL A 50 -11.838 -2.803 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.151 -1.618 -7.999 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.537 -4.217 -8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.380 -4.049 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.213 -2.560 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.358 -2.617 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.385 -5.476 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.475 -4.124 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.689 -5.032 -7.525 1.00 0.00 H new ATOM 469 N LYS A 51 -9.187 -2.034 -10.413 1.00 0.00 N ATOM 470 CA LYS A 51 -9.319 -2.097 -11.860 1.00 0.00 C ATOM 471 C LYS A 51 -8.010 -2.609 -12.464 1.00 0.00 C ATOM 472 O LYS A 51 -6.931 -2.328 -11.946 1.00 0.00 O ATOM 473 CB LYS A 51 -9.766 -0.744 -12.416 1.00 0.00 C ATOM 474 CG LYS A 51 -10.868 -0.131 -11.549 1.00 0.00 C ATOM 475 CD LYS A 51 -12.165 -0.933 -11.666 1.00 0.00 C ATOM 476 CE LYS A 51 -13.066 -0.361 -12.762 1.00 0.00 C ATOM 477 NZ LYS A 51 -12.523 -0.686 -14.101 1.00 0.00 N ATOM 0 H LYS A 51 -8.395 -1.485 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.099 -2.804 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.914 -0.066 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.128 -0.868 -13.437 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.545 -0.105 -10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.045 0.900 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.934 -1.975 -11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.693 -0.919 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.073 -0.767 -12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.146 0.720 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.300 -0.720 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.839 0.044 -14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.049 -1.611 -14.068 1.00 0.00 H new ATOM 491 N SER A 52 -8.149 -3.351 -13.552 1.00 0.00 N ATOM 492 CA SER A 52 -6.990 -3.906 -14.233 1.00 0.00 C ATOM 493 C SER A 52 -6.794 -3.209 -15.582 1.00 0.00 C ATOM 494 O SER A 52 -7.521 -3.480 -16.536 1.00 0.00 O ATOM 495 CB SER A 52 -7.137 -5.415 -14.431 1.00 0.00 C ATOM 496 OG SER A 52 -6.751 -6.148 -13.271 1.00 0.00 O ATOM 0 H SER A 52 -9.046 -3.581 -13.980 1.00 0.00 H new ATOM 0 HA SER A 52 -6.112 -3.734 -13.611 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.172 -5.649 -14.679 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.528 -5.730 -15.278 1.00 0.00 H new ATOM 0 HG SER A 52 -6.861 -7.107 -13.438 1.00 0.00 H new ATOM 502 N GLU A 53 -5.806 -2.328 -15.617 1.00 0.00 N ATOM 503 CA GLU A 53 -5.504 -1.591 -16.833 1.00 0.00 C ATOM 504 C GLU A 53 -4.043 -1.804 -17.234 1.00 0.00 C ATOM 505 O GLU A 53 -3.134 -1.501 -16.463 1.00 0.00 O ATOM 506 CB GLU A 53 -5.815 -0.102 -16.663 1.00 0.00 C ATOM 507 CG GLU A 53 -5.221 0.436 -15.360 1.00 0.00 C ATOM 508 CD GLU A 53 -4.849 1.914 -15.497 1.00 0.00 C ATOM 509 OE1 GLU A 53 -4.773 2.376 -16.656 1.00 0.00 O ATOM 510 OE2 GLU A 53 -4.647 2.549 -14.440 1.00 0.00 O ATOM 0 H GLU A 53 -5.204 -2.107 -14.824 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.139 -1.972 -17.633 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.412 0.456 -17.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.894 0.050 -16.665 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.939 0.312 -14.550 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.336 -0.142 -15.093 1.00 0.00 H new ATOM 517 N GLY A 54 -3.865 -2.323 -18.439 1.00 0.00 N ATOM 518 CA GLY A 54 -2.529 -2.581 -18.952 1.00 0.00 C ATOM 519 C GLY A 54 -1.848 -3.706 -18.169 1.00 0.00 C ATOM 520 O GLY A 54 -2.341 -4.832 -18.138 1.00 0.00 O ATOM 0 H GLY A 54 -4.622 -2.572 -19.075 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.586 -2.850 -20.007 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.929 -1.673 -18.887 1.00 0.00 H new ATOM 524 N ASP A 55 -0.725 -3.359 -17.555 1.00 0.00 N ATOM 525 CA ASP A 55 0.028 -4.325 -16.775 1.00 0.00 C ATOM 526 C ASP A 55 0.135 -3.832 -15.330 1.00 0.00 C ATOM 527 O ASP A 55 0.684 -4.526 -14.474 1.00 0.00 O ATOM 528 CB ASP A 55 1.445 -4.492 -17.324 1.00 0.00 C ATOM 529 CG ASP A 55 1.539 -5.235 -18.658 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.893 -6.300 -18.761 1.00 0.00 O ATOM 531 OD2 ASP A 55 2.256 -4.722 -19.544 1.00 0.00 O ATOM 0 H ASP A 55 -0.320 -2.423 -17.583 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.493 -5.281 -16.827 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.891 -3.505 -17.443 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.044 -5.025 -16.586 1.00 0.00 H new ATOM 536 N LEU A 56 -0.397 -2.641 -15.103 1.00 0.00 N ATOM 537 CA LEU A 56 -0.367 -2.048 -13.777 1.00 0.00 C ATOM 538 C LEU A 56 -1.683 -2.351 -13.058 1.00 0.00 C ATOM 539 O LEU A 56 -2.693 -2.638 -13.700 1.00 0.00 O ATOM 540 CB LEU A 56 -0.043 -0.555 -13.864 1.00 0.00 C ATOM 541 CG LEU A 56 1.255 -0.192 -14.587 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.893 1.057 -13.974 1.00 0.00 C ATOM 543 CD2 LEU A 56 2.222 -1.378 -14.606 1.00 0.00 C ATOM 0 H LEU A 56 -0.852 -2.070 -15.815 1.00 0.00 H new ATOM 0 HA LEU A 56 0.432 -2.489 -13.181 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.869 -0.053 -14.368 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.004 -0.154 -12.852 1.00 0.00 H new ATOM 0 HG LEU A 56 1.014 0.044 -15.623 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.814 1.294 -14.506 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.202 1.896 -14.055 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.118 0.872 -12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.137 -1.093 -15.126 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.461 -1.669 -13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.758 -2.218 -15.123 1.00 0.00 H new ATOM 555 N ILE A 57 -1.631 -2.276 -11.737 1.00 0.00 N ATOM 556 CA ILE A 57 -2.806 -2.538 -10.924 1.00 0.00 C ATOM 557 C ILE A 57 -3.312 -1.224 -10.326 1.00 0.00 C ATOM 558 O ILE A 57 -2.517 -0.375 -9.927 1.00 0.00 O ATOM 559 CB ILE A 57 -2.507 -3.615 -9.879 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.661 -4.611 -9.769 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.164 -2.984 -8.526 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.490 -5.518 -8.550 1.00 0.00 C ATOM 0 H ILE A 57 -0.792 -2.037 -11.208 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.612 -2.939 -11.539 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.631 -4.175 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.605 -4.072 -9.695 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.710 -5.217 -10.673 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.956 -3.770 -7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.286 -2.347 -8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.006 -2.385 -8.180 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.325 -6.217 -8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.557 -6.074 -8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.466 -4.911 -7.645 1.00 0.00 H new ATOM 574 N ILE A 58 -4.631 -1.099 -10.285 1.00 0.00 N ATOM 575 CA ILE A 58 -5.251 0.098 -9.743 1.00 0.00 C ATOM 576 C ILE A 58 -6.123 -0.283 -8.545 1.00 0.00 C ATOM 577 O ILE A 58 -6.978 -1.162 -8.649 1.00 0.00 O ATOM 578 CB ILE A 58 -6.007 0.853 -10.838 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.135 1.029 -12.083 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.539 2.189 -10.316 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.966 1.977 -11.804 1.00 0.00 C ATOM 0 H ILE A 58 -5.286 -1.806 -10.618 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.491 0.789 -9.378 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.871 0.256 -11.131 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.753 0.060 -12.404 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.738 1.421 -12.902 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.072 2.705 -11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.218 2.010 -9.483 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.706 2.805 -9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.362 2.085 -12.705 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.351 2.952 -11.507 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.351 1.570 -11.001 1.00 0.00 H new ATOM 593 N ALA A 59 -5.877 0.396 -7.433 1.00 0.00 N ATOM 594 CA ALA A 59 -6.629 0.141 -6.218 1.00 0.00 C ATOM 595 C ALA A 59 -7.523 1.344 -5.913 1.00 0.00 C ATOM 596 O ALA A 59 -7.081 2.488 -6.000 1.00 0.00 O ATOM 597 CB ALA A 59 -5.661 -0.171 -5.074 1.00 0.00 C ATOM 0 H ALA A 59 -5.166 1.123 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.277 -0.727 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.226 -0.362 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.071 -1.052 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.996 0.679 -4.918 1.00 0.00 H new ATOM 603 N SER A 60 -8.765 1.044 -5.562 1.00 0.00 N ATOM 604 CA SER A 60 -9.725 2.087 -5.245 1.00 0.00 C ATOM 605 C SER A 60 -10.075 2.040 -3.755 1.00 0.00 C ATOM 606 O SER A 60 -10.573 1.030 -3.262 1.00 0.00 O ATOM 607 CB SER A 60 -10.992 1.946 -6.091 1.00 0.00 C ATOM 608 OG SER A 60 -11.453 3.204 -6.576 1.00 0.00 O ATOM 0 H SER A 60 -9.128 0.094 -5.490 1.00 0.00 H new ATOM 0 HA SER A 60 -9.271 3.051 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.793 1.283 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.776 1.478 -5.495 1.00 0.00 H new ATOM 0 HG SER A 60 -12.262 3.071 -7.113 1.00 0.00 H new ATOM 614 N ILE A 61 -9.798 3.147 -3.082 1.00 0.00 N ATOM 615 CA ILE A 61 -10.076 3.246 -1.658 1.00 0.00 C ATOM 616 C ILE A 61 -10.893 4.511 -1.390 1.00 0.00 C ATOM 617 O ILE A 61 -10.904 5.432 -2.204 1.00 0.00 O ATOM 618 CB ILE A 61 -8.779 3.169 -0.852 1.00 0.00 C ATOM 619 CG1 ILE A 61 -8.035 4.504 -0.881 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.901 2.013 -1.335 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.971 4.564 0.217 1.00 0.00 C ATOM 0 H ILE A 61 -9.384 3.983 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.679 2.400 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.035 2.966 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.565 4.641 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.744 5.322 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.985 1.981 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.441 1.073 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.651 2.160 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.457 5.524 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.447 4.451 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.250 3.760 0.070 1.00 0.00 H new ATOM 633 N PRO A 62 -11.575 4.515 -0.213 1.00 0.00 N ATOM 634 CA PRO A 62 -12.393 5.653 0.174 1.00 0.00 C ATOM 635 C PRO A 62 -11.522 6.823 0.635 1.00 0.00 C ATOM 636 O PRO A 62 -10.647 6.654 1.482 1.00 0.00 O ATOM 637 CB PRO A 62 -13.307 5.126 1.268 1.00 0.00 C ATOM 638 CG PRO A 62 -12.656 3.850 1.778 1.00 0.00 C ATOM 639 CD PRO A 62 -11.586 3.443 0.778 1.00 0.00 C ATOM 0 HA PRO A 62 -12.976 6.054 -0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.417 5.856 2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.306 4.926 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.217 4.012 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.398 3.059 1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.614 3.339 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.819 2.482 0.319 1.00 0.00 H new ATOM 647 N GLY A 63 -11.791 7.984 0.056 1.00 0.00 N ATOM 648 CA GLY A 63 -11.043 9.182 0.395 1.00 0.00 C ATOM 649 C GLY A 63 -9.985 9.487 -0.667 1.00 0.00 C ATOM 650 O GLY A 63 -9.576 10.636 -0.828 1.00 0.00 O ATOM 0 H GLY A 63 -12.518 8.120 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.725 10.027 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.563 9.053 1.365 1.00 0.00 H new ATOM 654 N ILE A 64 -9.572 8.440 -1.364 1.00 0.00 N ATOM 655 CA ILE A 64 -8.570 8.581 -2.406 1.00 0.00 C ATOM 656 C ILE A 64 -9.240 8.438 -3.774 1.00 0.00 C ATOM 657 O ILE A 64 -10.210 7.697 -3.920 1.00 0.00 O ATOM 658 CB ILE A 64 -7.417 7.601 -2.179 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.597 7.994 -0.949 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.549 7.476 -3.432 1.00 0.00 C ATOM 661 CD1 ILE A 64 -5.373 7.090 -0.794 1.00 0.00 C ATOM 0 H ILE A 64 -9.914 7.489 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.123 9.574 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.840 6.616 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.278 9.032 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.219 7.926 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.737 6.774 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.157 7.114 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.134 8.451 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.808 7.391 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.697 6.055 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.741 7.179 -1.678 1.00 0.00 H new ATOM 673 N SER A 65 -8.693 9.157 -4.744 1.00 0.00 N ATOM 674 CA SER A 65 -9.225 9.119 -6.095 1.00 0.00 C ATOM 675 C SER A 65 -8.752 7.851 -6.808 1.00 0.00 C ATOM 676 O SER A 65 -9.564 7.009 -7.190 1.00 0.00 O ATOM 677 CB SER A 65 -8.807 10.359 -6.886 1.00 0.00 C ATOM 678 OG SER A 65 -9.708 11.447 -6.690 1.00 0.00 O ATOM 0 H SER A 65 -7.887 9.769 -4.620 1.00 0.00 H new ATOM 0 HA SER A 65 -10.313 9.110 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.804 10.660 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.761 10.113 -7.947 1.00 0.00 H new ATOM 0 HG SER A 65 -9.405 12.220 -7.210 1.00 0.00 H new ATOM 684 N ARG A 66 -7.439 7.754 -6.967 1.00 0.00 N ATOM 685 CA ARG A 66 -6.848 6.602 -7.627 1.00 0.00 C ATOM 686 C ARG A 66 -5.403 6.409 -7.166 1.00 0.00 C ATOM 687 O ARG A 66 -4.683 7.383 -6.946 1.00 0.00 O ATOM 688 CB ARG A 66 -6.874 6.766 -9.148 1.00 0.00 C ATOM 689 CG ARG A 66 -6.656 8.227 -9.546 1.00 0.00 C ATOM 690 CD ARG A 66 -5.660 8.340 -10.701 1.00 0.00 C ATOM 691 NE ARG A 66 -6.222 9.194 -11.772 1.00 0.00 N ATOM 692 CZ ARG A 66 -7.361 8.929 -12.424 1.00 0.00 C ATOM 693 NH1 ARG A 66 -8.069 7.835 -12.118 1.00 0.00 N ATOM 694 NH2 ARG A 66 -7.794 9.762 -13.381 1.00 0.00 N ATOM 0 H ARG A 66 -6.769 8.454 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.438 5.726 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.100 6.144 -9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.830 6.418 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.607 8.674 -9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.288 8.790 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.721 8.762 -10.343 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.434 7.349 -11.095 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.709 10.037 -12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.741 7.203 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.937 7.634 -12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.256 10.597 -13.612 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.662 9.561 -13.878 1.00 0.00 H new ATOM 708 N ILE A 67 -5.021 5.149 -7.033 1.00 0.00 N ATOM 709 CA ILE A 67 -3.674 4.817 -6.601 1.00 0.00 C ATOM 710 C ILE A 67 -3.155 3.635 -7.425 1.00 0.00 C ATOM 711 O ILE A 67 -3.927 2.759 -7.813 1.00 0.00 O ATOM 712 CB ILE A 67 -3.638 4.576 -5.091 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.688 3.542 -4.675 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.792 5.890 -4.323 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.973 4.225 -4.201 1.00 0.00 C ATOM 0 H ILE A 67 -5.620 4.344 -7.217 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.000 5.654 -6.782 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.662 4.165 -4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.910 2.885 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.290 2.915 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.763 5.691 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.978 6.564 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.745 6.352 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.702 3.468 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.752 4.862 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.382 4.832 -5.009 1.00 0.00 H new ATOM 727 N GLU A 68 -1.853 3.649 -7.665 1.00 0.00 N ATOM 728 CA GLU A 68 -1.224 2.588 -8.434 1.00 0.00 C ATOM 729 C GLU A 68 -0.333 1.733 -7.530 1.00 0.00 C ATOM 730 O GLU A 68 0.398 2.261 -6.694 1.00 0.00 O ATOM 731 CB GLU A 68 -0.425 3.163 -9.606 1.00 0.00 C ATOM 732 CG GLU A 68 -1.213 3.052 -10.913 1.00 0.00 C ATOM 733 CD GLU A 68 -0.637 3.986 -11.980 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.599 3.957 -12.152 1.00 0.00 O ATOM 735 OE2 GLU A 68 -1.448 4.707 -12.600 1.00 0.00 O ATOM 0 H GLU A 68 -1.216 4.377 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.006 1.951 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.185 4.208 -9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.522 2.631 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.186 2.023 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.259 3.300 -10.734 1.00 0.00 H new ATOM 742 N ILE A 69 -0.424 0.426 -7.730 1.00 0.00 N ATOM 743 CA ILE A 69 0.366 -0.507 -6.943 1.00 0.00 C ATOM 744 C ILE A 69 1.222 -1.361 -7.880 1.00 0.00 C ATOM 745 O ILE A 69 0.792 -1.700 -8.982 1.00 0.00 O ATOM 746 CB ILE A 69 -0.539 -1.325 -6.020 1.00 0.00 C ATOM 747 CG1 ILE A 69 -1.007 -0.489 -4.827 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.154 -2.616 -5.577 1.00 0.00 C ATOM 749 CD1 ILE A 69 -2.066 0.529 -5.254 1.00 0.00 C ATOM 0 H ILE A 69 -1.032 -0.009 -8.424 1.00 0.00 H new ATOM 0 HA ILE A 69 1.051 0.030 -6.287 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.429 -1.611 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.416 -1.144 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.156 0.029 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.510 -3.179 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.396 -3.218 -6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.071 -2.371 -5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.382 1.110 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.646 1.197 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.926 0.006 -5.673 1.00 0.00 H new ATOM 761 N LYS A 70 2.417 -1.683 -7.409 1.00 0.00 N ATOM 762 CA LYS A 70 3.337 -2.489 -8.192 1.00 0.00 C ATOM 763 C LYS A 70 4.020 -3.508 -7.276 1.00 0.00 C ATOM 764 O LYS A 70 5.081 -3.233 -6.717 1.00 0.00 O ATOM 765 CB LYS A 70 4.317 -1.597 -8.955 1.00 0.00 C ATOM 766 CG LYS A 70 3.920 -1.484 -10.429 1.00 0.00 C ATOM 767 CD LYS A 70 2.976 -0.302 -10.656 1.00 0.00 C ATOM 768 CE LYS A 70 3.746 1.020 -10.664 1.00 0.00 C ATOM 769 NZ LYS A 70 3.103 2.000 -9.761 1.00 0.00 N ATOM 0 H LYS A 70 2.770 -1.400 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 70 2.797 -3.052 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.339 -0.605 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.324 -2.006 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.814 -1.362 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.436 -2.407 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.452 -0.427 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.218 -0.281 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.776 0.850 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.783 1.420 -11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.769 2.815 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.296 1.553 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.792 2.323 -9.052 1.00 0.00 H new ATOM 783 N PRO A 71 3.367 -4.695 -7.149 1.00 0.00 N ATOM 784 CA PRO A 71 3.900 -5.755 -6.311 1.00 0.00 C ATOM 785 C PRO A 71 5.088 -6.443 -6.986 1.00 0.00 C ATOM 786 O PRO A 71 4.994 -6.868 -8.136 1.00 0.00 O ATOM 787 CB PRO A 71 2.728 -6.694 -6.071 1.00 0.00 C ATOM 788 CG PRO A 71 1.713 -6.376 -7.156 1.00 0.00 C ATOM 789 CD PRO A 71 2.109 -5.055 -7.795 1.00 0.00 C ATOM 0 HA PRO A 71 4.297 -5.384 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.044 -7.736 -6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.301 -6.541 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.692 -7.170 -7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.711 -6.310 -6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.232 -5.158 -8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.348 -4.292 -7.632 1.00 0.00 H new ATOM 797 N ASP A 72 6.181 -6.530 -6.241 1.00 0.00 N ATOM 798 CA ASP A 72 7.387 -7.160 -6.753 1.00 0.00 C ATOM 799 C ASP A 72 7.903 -8.173 -5.730 1.00 0.00 C ATOM 800 O ASP A 72 7.651 -8.036 -4.534 1.00 0.00 O ATOM 801 CB ASP A 72 8.489 -6.125 -6.991 1.00 0.00 C ATOM 802 CG ASP A 72 9.298 -6.324 -8.273 1.00 0.00 C ATOM 803 OD1 ASP A 72 10.105 -7.278 -8.293 1.00 0.00 O ATOM 804 OD2 ASP A 72 9.091 -5.518 -9.207 1.00 0.00 O ATOM 0 H ASP A 72 6.257 -6.175 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 72 7.139 -7.647 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.036 -5.134 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.172 -6.142 -6.142 1.00 0.00 H new ATOM 809 N LYS A 73 8.617 -9.167 -6.238 1.00 0.00 N ATOM 810 CA LYS A 73 9.170 -10.204 -5.383 1.00 0.00 C ATOM 811 C LYS A 73 10.003 -9.554 -4.275 1.00 0.00 C ATOM 812 O LYS A 73 9.961 -9.990 -3.126 1.00 0.00 O ATOM 813 CB LYS A 73 9.945 -11.228 -6.215 1.00 0.00 C ATOM 814 CG LYS A 73 8.991 -12.160 -6.964 1.00 0.00 C ATOM 815 CD LYS A 73 9.399 -13.624 -6.780 1.00 0.00 C ATOM 816 CE LYS A 73 8.799 -14.502 -7.881 1.00 0.00 C ATOM 817 NZ LYS A 73 9.170 -15.919 -7.671 1.00 0.00 N ATOM 0 H LYS A 73 8.825 -9.276 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 73 8.371 -10.763 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.588 -10.711 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.595 -11.813 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.974 -12.014 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.990 -11.909 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.486 -13.707 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.066 -13.979 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.714 -14.400 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.154 -14.167 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.755 -16.502 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.206 -16.013 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.810 -16.239 -6.749 1.00 0.00 H new ATOM 831 N ARG A 74 10.740 -8.523 -4.661 1.00 0.00 N ATOM 832 CA ARG A 74 11.581 -7.810 -3.715 1.00 0.00 C ATOM 833 C ARG A 74 10.717 -7.026 -2.723 1.00 0.00 C ATOM 834 O ARG A 74 10.665 -7.363 -1.541 1.00 0.00 O ATOM 835 CB ARG A 74 12.522 -6.842 -4.435 1.00 0.00 C ATOM 836 CG ARG A 74 13.883 -6.780 -3.738 1.00 0.00 C ATOM 837 CD ARG A 74 15.023 -6.921 -4.750 1.00 0.00 C ATOM 838 NE ARG A 74 16.309 -7.100 -4.040 1.00 0.00 N ATOM 839 CZ ARG A 74 17.475 -7.350 -4.650 1.00 0.00 C ATOM 840 NH1 ARG A 74 17.524 -7.454 -5.985 1.00 0.00 N ATOM 841 NH2 ARG A 74 18.593 -7.498 -3.926 1.00 0.00 N ATOM 0 H ARG A 74 10.772 -8.165 -5.615 1.00 0.00 H new ATOM 0 HA ARG A 74 12.178 -8.549 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.653 -7.159 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.077 -5.847 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.980 -5.834 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.952 -7.574 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.837 -7.773 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.068 -6.036 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 74 16.307 -7.029 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.673 -7.343 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.412 -7.644 -6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.556 -7.420 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.480 -7.688 -4.391 1.00 0.00 H new ATOM 855 N LYS A 75 10.064 -5.997 -3.241 1.00 0.00 N ATOM 856 CA LYS A 75 9.206 -5.163 -2.415 1.00 0.00 C ATOM 857 C LYS A 75 8.073 -4.598 -3.273 1.00 0.00 C ATOM 858 O LYS A 75 7.974 -4.908 -4.459 1.00 0.00 O ATOM 859 CB LYS A 75 10.030 -4.091 -1.700 1.00 0.00 C ATOM 860 CG LYS A 75 10.952 -3.362 -2.679 1.00 0.00 C ATOM 861 CD LYS A 75 12.415 -3.475 -2.246 1.00 0.00 C ATOM 862 CE LYS A 75 13.313 -2.580 -3.102 1.00 0.00 C ATOM 863 NZ LYS A 75 14.710 -3.065 -3.069 1.00 0.00 N ATOM 0 H LYS A 75 10.111 -5.721 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 75 8.743 -5.755 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.363 -3.374 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.624 -4.551 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.832 -3.782 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.667 -2.312 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.510 -3.194 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.743 -4.511 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.950 -2.567 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.269 -1.554 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.347 -2.313 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.963 -3.328 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.804 -3.896 -3.688 1.00 0.00 H new ATOM 877 N ILE A 76 7.248 -3.777 -2.641 1.00 0.00 N ATOM 878 CA ILE A 76 6.126 -3.165 -3.330 1.00 0.00 C ATOM 879 C ILE A 76 6.169 -1.650 -3.125 1.00 0.00 C ATOM 880 O ILE A 76 6.715 -1.170 -2.132 1.00 0.00 O ATOM 881 CB ILE A 76 4.809 -3.808 -2.889 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.229 -3.088 -1.670 1.00 0.00 C ATOM 883 CG2 ILE A 76 4.989 -5.306 -2.636 1.00 0.00 C ATOM 884 CD1 ILE A 76 2.824 -3.599 -1.347 1.00 0.00 C ATOM 0 H ILE A 76 7.335 -3.521 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 76 6.197 -3.343 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 76 4.088 -3.702 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.881 -3.239 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.195 -2.015 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.039 -5.739 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.326 -5.792 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.731 -5.456 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.436 -3.070 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.168 -3.424 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.865 -4.667 -1.134 1.00 0.00 H new ATOM 896 N LEU A 77 5.588 -0.938 -4.079 1.00 0.00 N ATOM 897 CA LEU A 77 5.554 0.513 -4.013 1.00 0.00 C ATOM 898 C LEU A 77 4.163 1.005 -4.420 1.00 0.00 C ATOM 899 O LEU A 77 3.452 0.325 -5.158 1.00 0.00 O ATOM 900 CB LEU A 77 6.686 1.112 -4.850 1.00 0.00 C ATOM 901 CG LEU A 77 7.229 0.231 -5.976 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.933 -1.005 -5.413 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.121 -0.139 -6.964 1.00 0.00 C ATOM 0 H LEU A 77 5.137 -1.339 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 77 5.727 0.853 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.333 2.047 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.510 1.363 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 77 7.975 0.802 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.310 -1.615 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.765 -0.694 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.227 -1.589 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.533 -0.766 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.335 -0.684 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.704 0.769 -7.400 1.00 0.00 H new ATOM 915 N VAL A 78 3.817 2.181 -3.919 1.00 0.00 N ATOM 916 CA VAL A 78 2.525 2.773 -4.220 1.00 0.00 C ATOM 917 C VAL A 78 2.718 4.239 -4.612 1.00 0.00 C ATOM 918 O VAL A 78 3.620 4.906 -4.108 1.00 0.00 O ATOM 919 CB VAL A 78 1.577 2.591 -3.033 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.140 2.365 -3.510 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.043 1.446 -2.131 1.00 0.00 C ATOM 0 H VAL A 78 4.410 2.741 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 78 2.063 2.269 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 78 1.594 3.509 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.514 2.238 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.190 3.225 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.099 1.470 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.352 1.337 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.068 0.519 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.041 1.665 -1.751 1.00 0.00 H new ATOM 931 N ASN A 79 1.856 4.697 -5.507 1.00 0.00 N ATOM 932 CA ASN A 79 1.919 6.074 -5.972 1.00 0.00 C ATOM 933 C ASN A 79 0.550 6.730 -5.795 1.00 0.00 C ATOM 934 O ASN A 79 -0.452 6.234 -6.306 1.00 0.00 O ATOM 935 CB ASN A 79 2.286 6.136 -7.456 1.00 0.00 C ATOM 936 CG ASN A 79 2.419 7.586 -7.927 1.00 0.00 C ATOM 937 OD1 ASN A 79 1.850 8.505 -7.361 1.00 0.00 O ATOM 938 ND2 ASN A 79 3.200 7.739 -8.992 1.00 0.00 N ATOM 0 H ASN A 79 1.110 4.140 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 79 2.680 6.593 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.224 5.607 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.523 5.627 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.353 8.669 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.647 6.927 -9.418 1.00 0.00 H new ATOM 945 N THR A 80 0.550 7.840 -5.070 1.00 0.00 N ATOM 946 CA THR A 80 -0.679 8.571 -4.820 1.00 0.00 C ATOM 947 C THR A 80 -0.788 9.771 -5.763 1.00 0.00 C ATOM 948 O THR A 80 0.223 10.349 -6.157 1.00 0.00 O ATOM 949 CB THR A 80 -0.707 8.958 -3.339 1.00 0.00 C ATOM 950 OG1 THR A 80 0.391 9.856 -3.195 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.353 7.786 -2.422 1.00 0.00 C ATOM 0 H THR A 80 1.383 8.250 -4.648 1.00 0.00 H new ATOM 0 HA THR A 80 -1.554 7.955 -5.027 1.00 0.00 H new ATOM 0 HB THR A 80 -1.696 9.335 -3.080 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.446 10.158 -2.264 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.387 8.114 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.069 6.978 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.650 7.430 -2.657 1.00 0.00 H new ATOM 959 N GLY A 81 -2.026 10.108 -6.098 1.00 0.00 N ATOM 960 CA GLY A 81 -2.280 11.228 -6.987 1.00 0.00 C ATOM 961 C GLY A 81 -2.531 12.514 -6.195 1.00 0.00 C ATOM 962 O GLY A 81 -1.609 13.075 -5.607 1.00 0.00 O ATOM 0 H GLY A 81 -2.862 9.625 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.429 11.368 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.144 11.009 -7.615 1.00 0.00 H new ATOM 966 N ASP A 82 -3.785 12.940 -6.205 1.00 0.00 N ATOM 967 CA ASP A 82 -4.171 14.146 -5.493 1.00 0.00 C ATOM 968 C ASP A 82 -5.369 13.842 -4.591 1.00 0.00 C ATOM 969 O ASP A 82 -6.441 13.481 -5.078 1.00 0.00 O ATOM 970 CB ASP A 82 -4.581 15.252 -6.467 1.00 0.00 C ATOM 971 CG ASP A 82 -4.451 16.676 -5.922 1.00 0.00 C ATOM 972 OD1 ASP A 82 -4.908 16.889 -4.779 1.00 0.00 O ATOM 973 OD2 ASP A 82 -3.900 17.519 -6.662 1.00 0.00 O ATOM 0 H ASP A 82 -4.547 12.472 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.315 14.480 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.972 15.167 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.616 15.087 -6.766 1.00 0.00 H new ATOM 978 N TYR A 83 -5.149 14.000 -3.294 1.00 0.00 N ATOM 979 CA TYR A 83 -6.197 13.746 -2.321 1.00 0.00 C ATOM 980 C TYR A 83 -7.202 14.898 -2.284 1.00 0.00 C ATOM 981 O TYR A 83 -6.875 16.023 -2.661 1.00 0.00 O ATOM 982 CB TYR A 83 -5.497 13.650 -0.963 1.00 0.00 C ATOM 983 CG TYR A 83 -4.938 12.262 -0.646 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.389 11.492 -1.652 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.985 11.777 0.645 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.864 10.185 -1.354 1.00 0.00 C ATOM 987 CE2 TYR A 83 -4.459 10.470 0.943 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.925 9.739 -0.072 1.00 0.00 C ATOM 989 OH TYR A 83 -3.429 8.505 0.210 1.00 0.00 O ATOM 0 H TYR A 83 -4.260 14.301 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.744 12.838 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.682 14.373 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.202 13.933 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.353 11.870 -2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.416 12.378 1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.432 9.573 -2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.488 10.079 1.949 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.539 8.319 1.166 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.884 15.780 4.964 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.655 15.743 5.740 1.00 0.00 C ATOM 1046 C ASP A 88 -7.725 14.676 5.161 1.00 0.00 C ATOM 1047 O ASP A 88 -7.950 13.482 5.350 1.00 0.00 O ATOM 1048 CB ASP A 88 -8.937 15.385 7.199 1.00 0.00 C ATOM 1049 CG ASP A 88 -9.500 16.527 8.049 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -8.897 17.620 8.001 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -10.519 16.279 8.727 1.00 0.00 O ATOM 0 HA ASP A 88 -8.196 16.730 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.641 14.553 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.012 15.034 7.656 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.698 15.145 4.469 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.731 14.246 3.861 1.00 0.00 C ATOM 1058 C LYS A 89 -5.135 13.341 4.941 1.00 0.00 C ATOM 1059 O LYS A 89 -4.733 12.213 4.658 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.684 15.036 3.073 1.00 0.00 C ATOM 1061 CG LYS A 89 -3.967 16.042 3.975 1.00 0.00 C ATOM 1062 CD LYS A 89 -3.748 17.371 3.248 1.00 0.00 C ATOM 1063 CE LYS A 89 -2.744 18.249 3.999 1.00 0.00 C ATOM 1064 NZ LYS A 89 -3.114 19.677 3.880 1.00 0.00 N ATOM 0 H LYS A 89 -6.514 16.136 4.315 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.219 13.597 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.958 14.350 2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.164 15.560 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.554 16.210 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.007 15.633 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.386 17.181 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.697 17.898 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.715 17.961 5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.743 18.092 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.423 20.259 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.119 19.952 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.061 19.825 4.284 1.00 0.00 H new ATOM 1078 N LEU A 90 -5.095 13.870 6.155 1.00 0.00 N ATOM 1079 CA LEU A 90 -4.555 13.123 7.280 1.00 0.00 C ATOM 1080 C LEU A 90 -5.572 12.069 7.723 1.00 0.00 C ATOM 1081 O LEU A 90 -5.195 10.970 8.127 1.00 0.00 O ATOM 1082 CB LEU A 90 -4.129 14.075 8.399 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.621 14.264 8.580 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -2.006 14.958 7.366 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -2.315 15.005 9.883 1.00 0.00 C ATOM 0 H LEU A 90 -5.427 14.807 6.385 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.651 12.590 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.577 15.050 8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.545 13.710 9.338 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.159 13.280 8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.934 15.080 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.178 14.353 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.467 15.937 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.237 15.127 9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.791 15.986 9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.699 14.432 10.727 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.841 12.441 7.631 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.913 11.541 8.018 1.00 0.00 C ATOM 1099 C ALA A 91 -7.877 10.297 7.127 1.00 0.00 C ATOM 1100 O ALA A 91 -7.872 9.173 7.625 1.00 0.00 O ATOM 1101 CB ALA A 91 -9.252 12.278 7.936 1.00 0.00 C ATOM 0 H ALA A 91 -7.150 13.353 7.294 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.784 11.211 9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.057 11.603 8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.237 13.136 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.417 12.621 6.915 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.851 10.543 5.825 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.815 9.457 4.861 1.00 0.00 C ATOM 1109 C VAL A 92 -6.499 8.691 5.010 1.00 0.00 C ATOM 1110 O VAL A 92 -6.461 7.472 4.845 1.00 0.00 O ATOM 1111 CB VAL A 92 -8.031 10.003 3.449 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.424 10.620 3.306 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.944 11.014 3.079 1.00 0.00 C ATOM 0 H VAL A 92 -7.854 11.477 5.416 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.625 8.752 5.050 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.962 9.167 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.551 11.000 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.180 9.861 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.534 11.439 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.122 11.386 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.967 11.846 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.968 10.530 3.121 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.449 9.437 5.321 1.00 0.00 N ATOM 1124 CA VAL A 93 -4.134 8.845 5.495 1.00 0.00 C ATOM 1125 C VAL A 93 -4.232 7.674 6.475 1.00 0.00 C ATOM 1126 O VAL A 93 -3.494 6.698 6.358 1.00 0.00 O ATOM 1127 CB VAL A 93 -3.132 9.913 5.940 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.973 9.289 6.718 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.619 10.716 4.742 1.00 0.00 C ATOM 0 H VAL A 93 -5.483 10.447 5.457 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.767 8.448 4.548 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.651 10.601 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.276 10.070 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.359 8.783 7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.456 8.568 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.909 11.468 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.126 10.045 4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.457 11.207 4.248 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.152 7.810 7.419 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.356 6.775 8.420 1.00 0.00 C ATOM 1141 C ARG A 94 -5.983 5.535 7.779 1.00 0.00 C ATOM 1142 O ARG A 94 -5.768 4.417 8.243 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.261 7.272 9.548 1.00 0.00 C ATOM 1144 CG ARG A 94 -5.672 8.514 10.219 1.00 0.00 C ATOM 1145 CD ARG A 94 -4.718 8.124 11.351 1.00 0.00 C ATOM 1146 NE ARG A 94 -5.016 8.924 12.561 1.00 0.00 N ATOM 1147 CZ ARG A 94 -6.030 8.669 13.399 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -6.851 7.636 13.162 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -6.225 9.447 14.472 1.00 0.00 N ATOM 0 H ARG A 94 -5.764 8.620 7.512 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.382 6.519 8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.249 7.504 9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.392 6.483 10.288 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.140 9.113 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.476 9.135 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.819 7.062 11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.686 8.288 11.041 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.412 9.719 12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.704 7.045 12.344 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.623 7.441 13.800 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.601 10.234 14.651 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.997 9.252 15.110 1.00 0.00 H new ATOM 1163 N THR A 95 -6.747 5.777 6.724 1.00 0.00 N ATOM 1164 CA THR A 95 -7.407 4.692 6.015 1.00 0.00 C ATOM 1165 C THR A 95 -6.471 4.096 4.962 1.00 0.00 C ATOM 1166 O THR A 95 -6.432 2.880 4.778 1.00 0.00 O ATOM 1167 CB THR A 95 -8.712 5.237 5.430 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.606 5.262 6.540 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.365 4.261 4.448 1.00 0.00 C ATOM 0 H THR A 95 -6.924 6.706 6.343 1.00 0.00 H new ATOM 0 HA THR A 95 -7.653 3.870 6.688 1.00 0.00 H new ATOM 0 HB THR A 95 -8.517 6.184 4.926 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.477 5.604 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.287 4.696 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.682 4.065 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.591 3.326 4.961 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.741 4.980 4.297 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.807 4.556 3.268 1.00 0.00 C ATOM 1179 C TYR A 96 -3.673 3.721 3.866 1.00 0.00 C ATOM 1180 O TYR A 96 -3.185 2.785 3.234 1.00 0.00 O ATOM 1181 CB TYR A 96 -4.223 5.838 2.673 1.00 0.00 C ATOM 1182 CG TYR A 96 -3.025 5.607 1.751 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -3.228 5.274 0.427 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.741 5.733 2.242 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -2.100 5.056 -0.442 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.614 5.516 1.373 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.849 5.187 0.074 1.00 0.00 C ATOM 1188 OH TYR A 96 0.216 4.983 -0.747 1.00 0.00 O ATOM 0 H TYR A 96 -5.778 5.988 4.451 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.312 3.942 2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.003 6.356 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.921 6.499 3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.233 5.177 0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.582 5.994 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.245 4.794 -1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.396 5.612 1.744 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.026 5.228 -1.664 1.00 0.00 H new ATOM 1198 N ASN A 97 -3.284 4.091 5.077 1.00 0.00 N ATOM 1199 CA ASN A 97 -2.217 3.389 5.768 1.00 0.00 C ATOM 1200 C ASN A 97 -2.739 2.042 6.271 1.00 0.00 C ATOM 1201 O ASN A 97 -2.001 1.057 6.300 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.724 4.187 6.977 1.00 0.00 C ATOM 1203 CG ASN A 97 -0.356 4.813 6.702 1.00 0.00 C ATOM 1204 OD1 ASN A 97 0.673 4.158 6.728 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -0.401 6.115 6.433 1.00 0.00 N ATOM 0 H ASN A 97 -3.689 4.869 5.598 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.394 3.253 5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.444 4.969 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.660 3.533 7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.460 6.624 6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.296 6.604 6.427 1.00 0.00 H new ATOM 1212 N ASP A 98 -4.006 2.042 6.656 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.637 0.832 7.156 1.00 0.00 C ATOM 1214 C ASP A 98 -4.679 -0.215 6.041 1.00 0.00 C ATOM 1215 O ASP A 98 -4.593 -1.413 6.307 1.00 0.00 O ATOM 1216 CB ASP A 98 -6.073 1.104 7.603 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.617 0.137 8.657 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -7.146 -0.917 8.242 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -6.492 0.473 9.855 1.00 0.00 O ATOM 0 H ASP A 98 -4.614 2.861 6.632 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.056 0.476 8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.128 2.118 7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.723 1.068 6.729 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.810 0.276 4.817 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.864 -0.603 3.662 1.00 0.00 C ATOM 1226 C PHE A 99 -3.476 -1.154 3.325 1.00 0.00 C ATOM 1227 O PHE A 99 -3.300 -2.365 3.194 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.364 0.236 2.484 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.151 -0.418 1.118 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -5.821 -1.558 0.799 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -4.294 0.141 0.222 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -5.624 -2.166 -0.468 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -4.097 -0.467 -1.047 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.766 -1.608 -1.365 1.00 0.00 C ATOM 0 H PHE A 99 -4.880 1.270 4.601 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.521 -1.448 3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.427 0.434 2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.856 1.200 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.503 -2.000 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.763 1.047 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.155 -3.072 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.416 -0.024 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.616 -2.071 -2.329 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.527 -0.240 3.197 1.00 0.00 N ATOM 1245 CA ILE A 100 -1.161 -0.619 2.880 1.00 0.00 C ATOM 1246 C ILE A 100 -0.564 -1.392 4.057 1.00 0.00 C ATOM 1247 O ILE A 100 0.063 -2.434 3.866 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.344 0.609 2.473 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -1.050 1.396 1.367 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.080 0.215 2.077 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -1.055 0.611 0.054 1.00 0.00 C ATOM 0 H ILE A 100 -2.677 0.763 3.307 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.142 -1.286 2.018 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.266 1.268 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.075 1.614 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.550 2.353 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.638 1.107 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.572 -0.267 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.045 -0.476 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.563 1.192 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.029 0.415 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.577 -0.335 0.198 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.780 -0.853 5.248 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.270 -1.479 6.456 1.00 0.00 C ATOM 1265 C GLU A 101 -0.647 -2.962 6.485 1.00 0.00 C ATOM 1266 O GLU A 101 0.099 -3.785 7.013 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.783 -0.759 7.705 1.00 0.00 C ATOM 1268 CG GLU A 101 -0.249 -1.419 8.977 1.00 0.00 C ATOM 1269 CD GLU A 101 -1.152 -2.574 9.416 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -2.294 -2.277 9.830 1.00 0.00 O ATOM 1271 OE2 GLU A 101 -0.680 -3.728 9.327 1.00 0.00 O ATOM 0 H GLU A 101 -1.301 0.010 5.402 1.00 0.00 H new ATOM 0 HA GLU A 101 0.817 -1.400 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.477 0.287 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.873 -0.772 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.761 -1.789 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.184 -0.679 9.775 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.804 -3.256 5.911 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.288 -4.625 5.863 1.00 0.00 C ATOM 1280 C LYS A 102 -1.764 -5.305 4.597 1.00 0.00 C ATOM 1281 O LYS A 102 -1.658 -6.529 4.544 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.813 -4.659 5.992 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.257 -5.748 6.969 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.954 -5.141 8.189 1.00 0.00 C ATOM 1285 CE LYS A 102 -5.521 -6.234 9.098 1.00 0.00 C ATOM 1286 NZ LYS A 102 -4.432 -6.917 9.829 1.00 0.00 N ATOM 0 H LYS A 102 -2.420 -2.570 5.475 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.905 -5.193 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.174 -3.689 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.260 -4.839 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.933 -6.439 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.392 -6.327 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.247 -4.528 8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.758 -4.482 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.224 -5.797 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.077 -6.958 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.837 -7.632 10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.795 -7.379 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.898 -6.220 10.386 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.449 -4.480 3.610 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.938 -4.986 2.346 1.00 0.00 C ATOM 1302 C LEU A 103 0.561 -5.259 2.481 1.00 0.00 C ATOM 1303 O LEU A 103 1.123 -6.051 1.725 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.288 -4.030 1.205 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.196 -4.597 0.110 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.585 -4.924 0.666 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.268 -3.649 -1.088 1.00 0.00 C ATOM 0 H LEU A 103 -1.537 -3.465 3.659 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.415 -5.933 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.770 -3.150 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.360 -3.693 0.742 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.761 -5.532 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.211 -5.325 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.494 -5.663 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.041 -4.017 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.919 -4.076 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.667 -2.687 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.269 -3.508 -1.501 1.00 0.00 H new ATOM 1319 N THR A 104 1.168 -4.589 3.450 1.00 0.00 N ATOM 1320 CA THR A 104 2.591 -4.748 3.693 1.00 0.00 C ATOM 1321 C THR A 104 2.829 -5.400 5.058 1.00 0.00 C ATOM 1322 O THR A 104 3.625 -6.330 5.174 1.00 0.00 O ATOM 1323 CB THR A 104 3.253 -3.376 3.551 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.663 -2.598 4.589 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.840 -2.657 2.266 1.00 0.00 C ATOM 0 H THR A 104 0.699 -3.934 4.076 1.00 0.00 H new ATOM 0 HA THR A 104 3.044 -5.419 2.963 1.00 0.00 H new ATOM 0 HB THR A 104 4.337 -3.492 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.745 -2.362 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.338 -1.689 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.127 -3.259 1.404 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.760 -2.510 2.262 1.00 0.00 H new ATOM 1333 N GLY A 105 2.123 -4.885 6.054 1.00 0.00 N ATOM 1334 CA GLY A 105 2.249 -5.406 7.405 1.00 0.00 C ATOM 1335 C GLY A 105 3.161 -4.518 8.252 1.00 0.00 C ATOM 1336 O GLY A 105 2.966 -4.395 9.461 1.00 0.00 O ATOM 0 H GLY A 105 1.463 -4.114 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.264 -5.468 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.650 -6.419 7.372 1.00 0.00 H new ATOM 1340 N TYR A 106 4.138 -3.920 7.585 1.00 0.00 N ATOM 1341 CA TYR A 106 5.082 -3.048 8.262 1.00 0.00 C ATOM 1342 C TYR A 106 4.455 -1.683 8.553 1.00 0.00 C ATOM 1343 O TYR A 106 3.899 -1.046 7.658 1.00 0.00 O ATOM 1344 CB TYR A 106 6.253 -2.861 7.295 1.00 0.00 C ATOM 1345 CG TYR A 106 7.197 -4.063 7.222 1.00 0.00 C ATOM 1346 CD1 TYR A 106 8.109 -4.287 8.233 1.00 0.00 C ATOM 1347 CD2 TYR A 106 7.136 -4.923 6.144 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.996 -5.418 8.165 1.00 0.00 C ATOM 1349 CE2 TYR A 106 8.026 -6.054 6.076 1.00 0.00 C ATOM 1350 CZ TYR A 106 8.912 -6.246 7.089 1.00 0.00 C ATOM 1351 OH TYR A 106 9.752 -7.315 7.024 1.00 0.00 O ATOM 0 H TYR A 106 4.296 -4.023 6.583 1.00 0.00 H new ATOM 0 HA TYR A 106 5.390 -3.482 9.213 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.860 -2.660 6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.823 -1.982 7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 106 8.157 -3.613 9.076 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.422 -4.748 5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.713 -5.605 8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.990 -6.735 5.238 1.00 0.00 H new ATOM 0 HH TYR A 106 9.578 -7.818 6.201 1.00 0.00 H new