USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 797 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 135:sc= 0.977 USER MOD Single : A 19 CYS SG : rot 18:sc= 0.288 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -52:sc= 0.509 USER MOD Single : A 27 HIS : no HD1:sc= -4.24 X(o=-4.2,f=-3.9) USER MOD Single : A 28 LYS NZ :NH3+ -120:sc= -0.46 (180deg=-2.21!) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.0245 (180deg=-0.268) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 160:sc= -7.55! USER MOD Single : A 37 SER OG : rot -127:sc= -0.97 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 143:sc= -1.64 (180deg=-3.24!) USER MOD Single : A 56 SER OG : rot 85:sc= 0.964 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3.9!) USER MOD Single : A 70 ASN : amide:sc= -6.87! C(o=-6.9!,f=-18!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.131 USER MOD Single : A 83 THR OG1 : rot 101:sc= 0.422 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= -0.0259 (180deg=-0.251) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -110:sc= 0.104 (180deg=-1.65!) USER MOD Single : A 106 MET CE :methyl -175:sc= -6.83! (180deg=-7.1!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 5.346 -2.831 0.000 1.00 13.44 N ATOM 30 CA ALA A 2 6.235 -3.508 0.929 1.00 13.31 C ATOM 31 C ALA A 2 6.465 -4.943 0.453 1.00 70.40 C ATOM 32 O ALA A 2 7.593 -5.326 0.145 1.00 12.30 O ATOM 33 CB ALA A 2 5.642 -3.449 2.338 1.00 1.34 C ATOM 0 HA ALA A 2 7.205 -3.012 0.963 1.00 13.31 H new ATOM 0 HB1 ALA A 2 6.309 -3.957 3.035 1.00 1.34 H new ATOM 0 HB2 ALA A 2 5.525 -2.408 2.640 1.00 1.34 H new ATOM 0 HB3 ALA A 2 4.669 -3.940 2.344 1.00 1.34 H new ATOM 39 N PHE A 3 5.378 -5.699 0.408 1.00 71.44 N ATOM 40 CA PHE A 3 5.447 -7.085 -0.026 1.00 1.42 C ATOM 41 C PHE A 3 6.119 -7.198 -1.396 1.00 1.43 C ATOM 42 O PHE A 3 6.583 -8.271 -1.777 1.00 20.21 O ATOM 43 CB PHE A 3 4.008 -7.592 -0.134 1.00 12.04 C ATOM 44 CG PHE A 3 3.475 -8.230 1.151 1.00 62.41 C ATOM 45 CD1 PHE A 3 2.424 -7.668 1.805 1.00 53.44 C ATOM 46 CD2 PHE A 3 4.053 -9.360 1.639 1.00 64.51 C ATOM 47 CE1 PHE A 3 1.930 -8.260 2.997 1.00 75.13 C ATOM 48 CE2 PHE A 3 3.559 -9.953 2.831 1.00 2.11 C ATOM 49 CZ PHE A 3 2.508 -9.390 3.485 1.00 74.22 C ATOM 0 H PHE A 3 4.444 -5.379 0.665 1.00 71.44 H new ATOM 0 HA PHE A 3 6.032 -7.669 0.685 1.00 1.42 H new ATOM 0 HB2 PHE A 3 3.360 -6.760 -0.410 1.00 12.04 H new ATOM 0 HB3 PHE A 3 3.951 -8.322 -0.941 1.00 12.04 H new ATOM 0 HD1 PHE A 3 1.965 -6.771 1.418 1.00 53.44 H new ATOM 0 HD2 PHE A 3 4.888 -9.807 1.120 1.00 64.51 H new ATOM 0 HE1 PHE A 3 1.095 -7.813 3.516 1.00 75.13 H new ATOM 0 HE2 PHE A 3 4.018 -10.851 3.218 1.00 2.11 H new ATOM 0 HZ PHE A 3 2.132 -9.840 4.392 1.00 74.22 H new ATOM 59 N ALA A 4 6.150 -6.075 -2.098 1.00 41.15 N ATOM 60 CA ALA A 4 6.758 -6.034 -3.418 1.00 34.31 C ATOM 61 C ALA A 4 8.169 -6.621 -3.343 1.00 12.40 C ATOM 62 O ALA A 4 8.712 -7.071 -4.351 1.00 1.35 O ATOM 63 CB ALA A 4 6.751 -4.596 -3.939 1.00 54.02 C ATOM 0 H ALA A 4 5.764 -5.187 -1.778 1.00 41.15 H new ATOM 0 HA ALA A 4 6.187 -6.638 -4.123 1.00 34.31 H new ATOM 0 HB1 ALA A 4 7.207 -4.565 -4.929 1.00 54.02 H new ATOM 0 HB2 ALA A 4 5.724 -4.237 -4.001 1.00 54.02 H new ATOM 0 HB3 ALA A 4 7.317 -3.960 -3.259 1.00 54.02 H new ATOM 69 N SER A 5 8.722 -6.596 -2.139 1.00 61.24 N ATOM 70 CA SER A 5 10.060 -7.120 -1.920 1.00 13.41 C ATOM 71 C SER A 5 9.981 -8.484 -1.231 1.00 43.41 C ATOM 72 O SER A 5 10.761 -9.384 -1.538 1.00 50.05 O ATOM 73 CB SER A 5 10.900 -6.151 -1.085 1.00 61.13 C ATOM 74 OG SER A 5 11.306 -5.011 -1.838 1.00 71.21 O ATOM 0 H SER A 5 8.268 -6.221 -1.306 1.00 61.24 H new ATOM 0 HA SER A 5 10.545 -7.237 -2.889 1.00 13.41 H new ATOM 0 HB2 SER A 5 10.324 -5.827 -0.218 1.00 61.13 H new ATOM 0 HB3 SER A 5 11.782 -6.669 -0.707 1.00 61.13 H new ATOM 0 HG SER A 5 11.838 -4.416 -1.270 1.00 71.21 H new ATOM 80 N VAL A 6 9.033 -8.593 -0.312 1.00 60.24 N ATOM 81 CA VAL A 6 8.843 -9.832 0.423 1.00 75.15 C ATOM 82 C VAL A 6 8.407 -10.933 -0.546 1.00 54.05 C ATOM 83 O VAL A 6 9.110 -11.927 -0.719 1.00 60.13 O ATOM 84 CB VAL A 6 7.850 -9.615 1.566 1.00 13.22 C ATOM 85 CG1 VAL A 6 7.708 -10.879 2.417 1.00 51.33 C ATOM 86 CG2 VAL A 6 8.258 -8.418 2.427 1.00 43.41 C ATOM 0 H VAL A 6 8.388 -7.844 -0.060 1.00 60.24 H new ATOM 0 HA VAL A 6 9.779 -10.153 0.880 1.00 75.15 H new ATOM 0 HB VAL A 6 6.877 -9.396 1.127 1.00 13.22 H new ATOM 0 HG11 VAL A 6 6.996 -10.697 3.222 1.00 51.33 H new ATOM 0 HG12 VAL A 6 7.350 -11.699 1.794 1.00 51.33 H new ATOM 0 HG13 VAL A 6 8.677 -11.143 2.841 1.00 51.33 H new ATOM 0 HG21 VAL A 6 7.535 -8.286 3.232 1.00 43.41 H new ATOM 0 HG22 VAL A 6 9.246 -8.595 2.852 1.00 43.41 H new ATOM 0 HG23 VAL A 6 8.284 -7.519 1.811 1.00 43.41 H new ATOM 96 N LEU A 7 7.249 -10.718 -1.153 1.00 75.43 N ATOM 97 CA LEU A 7 6.710 -11.680 -2.100 1.00 65.04 C ATOM 98 C LEU A 7 6.658 -11.045 -3.491 1.00 54.33 C ATOM 99 O LEU A 7 6.986 -9.871 -3.654 1.00 41.42 O ATOM 100 CB LEU A 7 5.360 -12.212 -1.616 1.00 2.35 C ATOM 101 CG LEU A 7 5.377 -12.974 -0.289 1.00 13.43 C ATOM 102 CD1 LEU A 7 4.035 -12.844 0.435 1.00 50.33 C ATOM 103 CD2 LEU A 7 5.774 -14.436 -0.501 1.00 3.30 C ATOM 0 H LEU A 7 6.669 -9.892 -1.008 1.00 75.43 H new ATOM 0 HA LEU A 7 7.362 -12.551 -2.170 1.00 65.04 H new ATOM 0 HB2 LEU A 7 4.673 -11.371 -1.521 1.00 2.35 H new ATOM 0 HB3 LEU A 7 4.954 -12.869 -2.385 1.00 2.35 H new ATOM 0 HG LEU A 7 6.135 -12.525 0.353 1.00 13.43 H new ATOM 0 HD11 LEU A 7 4.074 -13.395 1.375 1.00 50.33 H new ATOM 0 HD12 LEU A 7 3.832 -11.793 0.638 1.00 50.33 H new ATOM 0 HD13 LEU A 7 3.242 -13.252 -0.192 1.00 50.33 H new ATOM 0 HD21 LEU A 7 5.778 -14.955 0.458 1.00 3.30 H new ATOM 0 HD22 LEU A 7 5.058 -14.914 -1.169 1.00 3.30 H new ATOM 0 HD23 LEU A 7 6.769 -14.482 -0.943 1.00 3.30 H new ATOM 115 N LYS A 8 6.242 -11.849 -4.459 1.00 12.33 N ATOM 116 CA LYS A 8 6.142 -11.380 -5.830 1.00 53.24 C ATOM 117 C LYS A 8 4.860 -10.560 -5.992 1.00 42.22 C ATOM 118 O LYS A 8 3.759 -11.085 -5.838 1.00 31.55 O ATOM 119 CB LYS A 8 6.249 -12.553 -6.807 1.00 13.12 C ATOM 120 CG LYS A 8 7.433 -13.455 -6.453 1.00 12.24 C ATOM 121 CD LYS A 8 8.750 -12.678 -6.508 1.00 54.21 C ATOM 122 CE LYS A 8 8.893 -11.936 -7.839 1.00 21.34 C ATOM 123 NZ LYS A 8 10.219 -11.285 -7.929 1.00 21.13 N ATOM 0 H LYS A 8 5.970 -12.822 -4.320 1.00 12.33 H new ATOM 0 HA LYS A 8 6.976 -10.720 -6.068 1.00 53.24 H new ATOM 0 HB2 LYS A 8 5.326 -13.133 -6.787 1.00 13.12 H new ATOM 0 HB3 LYS A 8 6.366 -12.175 -7.823 1.00 13.12 H new ATOM 0 HG2 LYS A 8 7.293 -13.870 -5.455 1.00 12.24 H new ATOM 0 HG3 LYS A 8 7.474 -14.296 -7.145 1.00 12.24 H new ATOM 0 HD2 LYS A 8 8.791 -11.966 -5.684 1.00 54.21 H new ATOM 0 HD3 LYS A 8 9.587 -13.364 -6.378 1.00 54.21 H new ATOM 0 HE2 LYS A 8 8.767 -12.634 -8.667 1.00 21.34 H new ATOM 0 HE3 LYS A 8 8.106 -11.187 -7.931 1.00 21.34 H new ATOM 0 HZ1 LYS A 8 10.300 -10.786 -8.838 1.00 21.13 H new ATOM 0 HZ2 LYS A 8 10.325 -10.604 -7.150 1.00 21.13 H new ATOM 0 HZ3 LYS A 8 10.965 -12.006 -7.863 1.00 21.13 H new ATOM 136 N ASP A 9 5.046 -9.285 -6.302 1.00 24.14 N ATOM 137 CA ASP A 9 3.919 -8.387 -6.486 1.00 71.21 C ATOM 138 C ASP A 9 3.046 -8.901 -7.632 1.00 75.33 C ATOM 139 O ASP A 9 1.900 -8.479 -7.782 1.00 32.42 O ATOM 140 CB ASP A 9 4.391 -6.977 -6.847 1.00 31.41 C ATOM 141 CG ASP A 9 3.320 -5.890 -6.740 1.00 0.22 C ATOM 142 OD1 ASP A 9 2.659 -5.744 -5.701 1.00 22.33 O ATOM 143 OD2 ASP A 9 3.174 -5.163 -7.796 1.00 13.05 O ATOM 0 H ASP A 9 5.961 -8.853 -6.430 1.00 24.14 H new ATOM 0 HA ASP A 9 3.360 -8.351 -5.551 1.00 71.21 H new ATOM 0 HB2 ASP A 9 5.224 -6.711 -6.196 1.00 31.41 H new ATOM 0 HB3 ASP A 9 4.775 -6.989 -7.867 1.00 31.41 H new ATOM 149 N ALA A 10 3.620 -9.805 -8.412 1.00 42.14 N ATOM 150 CA ALA A 10 2.908 -10.381 -9.541 1.00 5.04 C ATOM 151 C ALA A 10 2.016 -11.521 -9.047 1.00 14.14 C ATOM 152 O ALA A 10 0.999 -11.831 -9.666 1.00 63.31 O ATOM 153 CB ALA A 10 3.914 -10.844 -10.596 1.00 43.15 C ATOM 0 H ALA A 10 4.570 -10.153 -8.285 1.00 42.14 H new ATOM 0 HA ALA A 10 2.264 -9.637 -10.009 1.00 5.04 H new ATOM 0 HB1 ALA A 10 3.380 -11.276 -11.443 1.00 43.15 H new ATOM 0 HB2 ALA A 10 4.504 -9.992 -10.935 1.00 43.15 H new ATOM 0 HB3 ALA A 10 4.576 -11.594 -10.163 1.00 43.15 H new ATOM 159 N GLU A 11 2.427 -12.113 -7.935 1.00 64.44 N ATOM 160 CA GLU A 11 1.678 -13.212 -7.351 1.00 75.30 C ATOM 161 C GLU A 11 0.595 -12.676 -6.412 1.00 22.11 C ATOM 162 O GLU A 11 -0.596 -12.823 -6.683 1.00 65.22 O ATOM 163 CB GLU A 11 2.607 -14.182 -6.619 1.00 60.42 C ATOM 164 CG GLU A 11 3.447 -14.991 -7.611 1.00 13.55 C ATOM 165 CD GLU A 11 2.706 -16.253 -8.055 1.00 32.32 C ATOM 166 OE1 GLU A 11 1.471 -16.313 -7.960 1.00 31.30 O ATOM 167 OE2 GLU A 11 3.459 -17.195 -8.513 1.00 43.34 O ATOM 0 H GLU A 11 3.270 -11.852 -7.423 1.00 64.44 H new ATOM 0 HA GLU A 11 1.193 -13.764 -8.156 1.00 75.30 H new ATOM 0 HB2 GLU A 11 3.264 -13.627 -5.949 1.00 60.42 H new ATOM 0 HB3 GLU A 11 2.018 -14.858 -6.000 1.00 60.42 H new ATOM 0 HG2 GLU A 11 3.680 -14.377 -8.481 1.00 13.55 H new ATOM 0 HG3 GLU A 11 4.396 -15.265 -7.150 1.00 13.55 H new ATOM 175 N VAL A 12 1.048 -12.065 -5.327 1.00 33.53 N ATOM 176 CA VAL A 12 0.133 -11.507 -4.346 1.00 13.31 C ATOM 177 C VAL A 12 -0.969 -10.728 -5.068 1.00 3.01 C ATOM 178 O VAL A 12 -2.123 -10.742 -4.644 1.00 54.42 O ATOM 179 CB VAL A 12 0.904 -10.654 -3.337 1.00 23.14 C ATOM 180 CG1 VAL A 12 2.119 -11.410 -2.795 1.00 60.52 C ATOM 181 CG2 VAL A 12 1.321 -9.317 -3.953 1.00 72.22 C ATOM 0 H VAL A 12 2.036 -11.944 -5.106 1.00 33.53 H new ATOM 0 HA VAL A 12 -0.349 -12.303 -3.778 1.00 13.31 H new ATOM 0 HB VAL A 12 0.239 -10.444 -2.500 1.00 23.14 H new ATOM 0 HG11 VAL A 12 2.649 -10.781 -2.080 1.00 60.52 H new ATOM 0 HG12 VAL A 12 1.788 -12.323 -2.300 1.00 60.52 H new ATOM 0 HG13 VAL A 12 2.786 -11.665 -3.619 1.00 60.52 H new ATOM 0 HG21 VAL A 12 1.867 -8.731 -3.214 1.00 72.22 H new ATOM 0 HG22 VAL A 12 1.960 -9.498 -4.817 1.00 72.22 H new ATOM 0 HG23 VAL A 12 0.433 -8.768 -4.267 1.00 72.22 H new ATOM 191 N THR A 13 -0.573 -10.068 -6.146 1.00 42.41 N ATOM 192 CA THR A 13 -1.512 -9.285 -6.931 1.00 50.51 C ATOM 193 C THR A 13 -2.723 -10.136 -7.318 1.00 50.41 C ATOM 194 O THR A 13 -3.857 -9.799 -6.979 1.00 25.52 O ATOM 195 CB THR A 13 -0.761 -8.713 -8.135 1.00 62.43 C ATOM 196 OG1 THR A 13 -0.270 -7.457 -7.675 1.00 31.44 O ATOM 197 CG2 THR A 13 -1.696 -8.347 -9.289 1.00 75.22 C ATOM 0 H THR A 13 0.386 -10.059 -6.494 1.00 42.41 H new ATOM 0 HA THR A 13 -1.911 -8.451 -6.354 1.00 50.51 H new ATOM 0 HB THR A 13 -0.025 -9.439 -8.480 1.00 62.43 H new ATOM 0 HG1 THR A 13 0.668 -7.356 -7.940 1.00 31.44 H new ATOM 0 HG21 THR A 13 -1.112 -7.946 -10.117 1.00 75.22 H new ATOM 0 HG22 THR A 13 -2.231 -9.237 -9.620 1.00 75.22 H new ATOM 0 HG23 THR A 13 -2.412 -7.597 -8.953 1.00 75.22 H new ATOM 205 N ALA A 14 -2.442 -11.221 -8.023 1.00 62.52 N ATOM 206 CA ALA A 14 -3.494 -12.123 -8.460 1.00 61.42 C ATOM 207 C ALA A 14 -4.259 -12.638 -7.239 1.00 5.21 C ATOM 208 O ALA A 14 -5.448 -12.940 -7.328 1.00 44.23 O ATOM 209 CB ALA A 14 -2.884 -13.257 -9.286 1.00 61.54 C ATOM 0 H ALA A 14 -1.501 -11.496 -8.303 1.00 62.52 H new ATOM 0 HA ALA A 14 -4.206 -11.600 -9.099 1.00 61.42 H new ATOM 0 HB1 ALA A 14 -3.673 -13.934 -9.614 1.00 61.54 H new ATOM 0 HB2 ALA A 14 -2.378 -12.841 -10.157 1.00 61.54 H new ATOM 0 HB3 ALA A 14 -2.166 -13.805 -8.676 1.00 61.54 H new ATOM 215 N ALA A 15 -3.545 -12.722 -6.126 1.00 3.31 N ATOM 216 CA ALA A 15 -4.141 -13.194 -4.888 1.00 71.41 C ATOM 217 C ALA A 15 -4.955 -12.064 -4.255 1.00 4.12 C ATOM 218 O ALA A 15 -5.800 -12.309 -3.396 1.00 11.24 O ATOM 219 CB ALA A 15 -3.043 -13.714 -3.958 1.00 71.31 C ATOM 0 H ALA A 15 -2.559 -12.471 -6.056 1.00 3.31 H new ATOM 0 HA ALA A 15 -4.823 -14.022 -5.082 1.00 71.41 H new ATOM 0 HB1 ALA A 15 -3.490 -14.068 -3.029 1.00 71.31 H new ATOM 0 HB2 ALA A 15 -2.515 -14.535 -4.442 1.00 71.31 H new ATOM 0 HB3 ALA A 15 -2.341 -12.910 -3.739 1.00 71.31 H new ATOM 225 N LEU A 16 -4.671 -10.850 -4.704 1.00 25.23 N ATOM 226 CA LEU A 16 -5.365 -9.681 -4.192 1.00 33.33 C ATOM 227 C LEU A 16 -6.707 -9.535 -4.912 1.00 51.41 C ATOM 228 O LEU A 16 -7.699 -9.131 -4.308 1.00 14.03 O ATOM 229 CB LEU A 16 -4.474 -8.442 -4.293 1.00 13.54 C ATOM 230 CG LEU A 16 -3.618 -8.129 -3.064 1.00 14.25 C ATOM 231 CD1 LEU A 16 -2.323 -7.419 -3.463 1.00 73.34 C ATOM 232 CD2 LEU A 16 -4.414 -7.329 -2.030 1.00 74.31 C ATOM 0 H LEU A 16 -3.969 -10.651 -5.417 1.00 25.23 H new ATOM 0 HA LEU A 16 -5.584 -9.801 -3.131 1.00 33.33 H new ATOM 0 HB2 LEU A 16 -3.812 -8.564 -5.151 1.00 13.54 H new ATOM 0 HB3 LEU A 16 -5.107 -7.579 -4.499 1.00 13.54 H new ATOM 0 HG LEU A 16 -3.337 -9.072 -2.596 1.00 14.25 H new ATOM 0 HD11 LEU A 16 -1.734 -7.208 -2.571 1.00 73.34 H new ATOM 0 HD12 LEU A 16 -1.749 -8.058 -4.134 1.00 73.34 H new ATOM 0 HD13 LEU A 16 -2.562 -6.484 -3.969 1.00 73.34 H new ATOM 0 HD21 LEU A 16 -3.782 -7.120 -1.167 1.00 74.31 H new ATOM 0 HD22 LEU A 16 -4.745 -6.390 -2.473 1.00 74.31 H new ATOM 0 HD23 LEU A 16 -5.282 -7.907 -1.713 1.00 74.31 H new ATOM 244 N ASP A 17 -6.694 -9.870 -6.194 1.00 31.53 N ATOM 245 CA ASP A 17 -7.898 -9.781 -7.003 1.00 24.21 C ATOM 246 C ASP A 17 -8.807 -10.972 -6.690 1.00 45.34 C ATOM 247 O ASP A 17 -9.988 -10.962 -7.033 1.00 1.13 O ATOM 248 CB ASP A 17 -7.562 -9.821 -8.495 1.00 72.41 C ATOM 249 CG ASP A 17 -8.619 -9.203 -9.412 1.00 73.24 C ATOM 250 OD1 ASP A 17 -9.370 -9.917 -10.094 1.00 31.14 O ATOM 251 OD2 ASP A 17 -8.655 -7.914 -9.411 1.00 53.30 O ATOM 0 H ASP A 17 -5.869 -10.203 -6.692 1.00 31.53 H new ATOM 0 HA ASP A 17 -8.393 -8.838 -6.770 1.00 24.21 H new ATOM 0 HB2 ASP A 17 -6.617 -9.302 -8.653 1.00 72.41 H new ATOM 0 HB3 ASP A 17 -7.409 -10.859 -8.790 1.00 72.41 H new ATOM 257 N GLY A 18 -8.221 -11.969 -6.044 1.00 2.32 N ATOM 258 CA GLY A 18 -8.963 -13.164 -5.681 1.00 70.23 C ATOM 259 C GLY A 18 -9.957 -12.872 -4.556 1.00 13.04 C ATOM 260 O GLY A 18 -10.767 -13.727 -4.201 1.00 13.14 O ATOM 0 H GLY A 18 -7.241 -11.974 -5.763 1.00 2.32 H new ATOM 0 HA2 GLY A 18 -9.496 -13.544 -6.552 1.00 70.23 H new ATOM 0 HA3 GLY A 18 -8.271 -13.944 -5.366 1.00 70.23 H new ATOM 264 N CYS A 19 -9.863 -11.661 -4.026 1.00 30.45 N ATOM 265 CA CYS A 19 -10.744 -11.246 -2.947 1.00 51.24 C ATOM 266 C CYS A 19 -11.226 -9.824 -3.242 1.00 72.00 C ATOM 267 O CYS A 19 -11.500 -9.054 -2.322 1.00 61.53 O ATOM 268 CB CYS A 19 -10.056 -11.344 -1.585 1.00 23.14 C ATOM 269 SG CYS A 19 -8.309 -10.817 -1.726 1.00 60.14 S ATOM 0 H CYS A 19 -9.191 -10.954 -4.324 1.00 30.45 H new ATOM 0 HA CYS A 19 -11.602 -11.917 -2.896 1.00 51.24 H new ATOM 0 HB2 CYS A 19 -10.576 -10.718 -0.860 1.00 23.14 H new ATOM 0 HB3 CYS A 19 -10.107 -12.368 -1.216 1.00 23.14 H new ATOM 0 HG CYS A 19 -8.150 -10.131 -2.818 1.00 60.14 H new ATOM 275 N LYS A 20 -11.315 -9.518 -4.528 1.00 75.21 N ATOM 276 CA LYS A 20 -11.760 -8.202 -4.955 1.00 62.44 C ATOM 277 C LYS A 20 -13.209 -7.990 -4.514 1.00 74.32 C ATOM 278 O LYS A 20 -13.548 -6.942 -3.966 1.00 72.44 O ATOM 279 CB LYS A 20 -11.543 -8.026 -6.460 1.00 3.14 C ATOM 280 CG LYS A 20 -12.437 -8.977 -7.258 1.00 2.21 C ATOM 281 CD LYS A 20 -12.037 -8.996 -8.735 1.00 4.44 C ATOM 282 CE LYS A 20 -12.687 -10.173 -9.464 1.00 52.40 C ATOM 283 NZ LYS A 20 -14.109 -9.881 -9.752 1.00 74.53 N ATOM 0 H LYS A 20 -11.087 -10.159 -5.288 1.00 75.21 H new ATOM 0 HA LYS A 20 -11.164 -7.425 -4.477 1.00 62.44 H new ATOM 0 HB2 LYS A 20 -11.757 -6.996 -6.744 1.00 3.14 H new ATOM 0 HB3 LYS A 20 -10.497 -8.213 -6.705 1.00 3.14 H new ATOM 0 HG2 LYS A 20 -12.364 -9.983 -6.845 1.00 2.21 H new ATOM 0 HG3 LYS A 20 -13.478 -8.668 -7.163 1.00 2.21 H new ATOM 0 HD2 LYS A 20 -12.336 -8.061 -9.208 1.00 4.44 H new ATOM 0 HD3 LYS A 20 -10.953 -9.065 -8.821 1.00 4.44 H new ATOM 0 HE2 LYS A 20 -12.155 -10.372 -10.394 1.00 52.40 H new ATOM 0 HE3 LYS A 20 -12.610 -11.073 -8.854 1.00 52.40 H new ATOM 0 HZ1 LYS A 20 -14.536 -10.690 -10.247 1.00 74.53 H new ATOM 0 HZ2 LYS A 20 -14.617 -9.714 -8.860 1.00 74.53 H new ATOM 0 HZ3 LYS A 20 -14.175 -9.034 -10.352 1.00 74.53 H new ATOM 296 N ALA A 21 -14.026 -9.002 -4.769 1.00 51.25 N ATOM 297 CA ALA A 21 -15.431 -8.939 -4.406 1.00 34.25 C ATOM 298 C ALA A 21 -15.564 -9.026 -2.884 1.00 30.12 C ATOM 299 O ALA A 21 -14.895 -9.836 -2.244 1.00 70.10 O ATOM 300 CB ALA A 21 -16.195 -10.055 -5.122 1.00 3.01 C ATOM 0 H ALA A 21 -13.741 -9.870 -5.223 1.00 51.25 H new ATOM 0 HA ALA A 21 -15.867 -7.991 -4.722 1.00 34.25 H new ATOM 0 HB1 ALA A 21 -17.249 -10.007 -4.849 1.00 3.01 H new ATOM 0 HB2 ALA A 21 -16.093 -9.932 -6.200 1.00 3.01 H new ATOM 0 HB3 ALA A 21 -15.787 -11.022 -4.827 1.00 3.01 H new ATOM 306 N ALA A 22 -16.432 -8.180 -2.348 1.00 61.31 N ATOM 307 CA ALA A 22 -16.661 -8.151 -0.914 1.00 22.35 C ATOM 308 C ALA A 22 -17.378 -9.435 -0.490 1.00 13.51 C ATOM 309 O ALA A 22 -18.020 -10.090 -1.309 1.00 32.31 O ATOM 310 CB ALA A 22 -17.451 -6.893 -0.548 1.00 33.42 C ATOM 0 H ALA A 22 -16.985 -7.509 -2.882 1.00 61.31 H new ATOM 0 HA ALA A 22 -15.715 -8.109 -0.375 1.00 22.35 H new ATOM 0 HB1 ALA A 22 -17.623 -6.871 0.528 1.00 33.42 H new ATOM 0 HB2 ALA A 22 -16.885 -6.009 -0.843 1.00 33.42 H new ATOM 0 HB3 ALA A 22 -18.409 -6.901 -1.068 1.00 33.42 H new ATOM 316 N GLY A 23 -17.245 -9.754 0.789 1.00 72.41 N ATOM 317 CA GLY A 23 -17.873 -10.947 1.331 1.00 22.42 C ATOM 318 C GLY A 23 -17.477 -12.188 0.528 1.00 31.33 C ATOM 319 O GLY A 23 -18.175 -13.201 0.559 1.00 12.42 O ATOM 0 H GLY A 23 -16.712 -9.207 1.465 1.00 72.41 H new ATOM 0 HA2 GLY A 23 -17.580 -11.075 2.373 1.00 22.42 H new ATOM 0 HA3 GLY A 23 -18.957 -10.830 1.316 1.00 22.42 H new ATOM 323 N SER A 24 -16.359 -12.069 -0.172 1.00 25.24 N ATOM 324 CA SER A 24 -15.862 -13.169 -0.981 1.00 44.32 C ATOM 325 C SER A 24 -14.369 -13.380 -0.717 1.00 53.05 C ATOM 326 O SER A 24 -13.698 -14.091 -1.464 1.00 1.23 O ATOM 327 CB SER A 24 -16.106 -12.911 -2.469 1.00 73.34 C ATOM 328 OG SER A 24 -14.999 -12.263 -3.088 1.00 45.32 O ATOM 0 H SER A 24 -15.783 -11.228 -0.196 1.00 25.24 H new ATOM 0 HA SER A 24 -16.405 -14.072 -0.702 1.00 44.32 H new ATOM 0 HB2 SER A 24 -16.300 -13.857 -2.974 1.00 73.34 H new ATOM 0 HB3 SER A 24 -16.999 -12.297 -2.589 1.00 73.34 H new ATOM 0 HG SER A 24 -14.759 -11.464 -2.574 1.00 45.32 H new ATOM 334 N PHE A 25 -13.894 -12.750 0.346 1.00 11.55 N ATOM 335 CA PHE A 25 -12.494 -12.859 0.718 1.00 23.50 C ATOM 336 C PHE A 25 -12.277 -14.008 1.706 1.00 41.23 C ATOM 337 O PHE A 25 -13.052 -14.177 2.646 1.00 62.32 O ATOM 338 CB PHE A 25 -12.105 -11.542 1.392 1.00 32.35 C ATOM 339 CG PHE A 25 -10.876 -11.646 2.298 1.00 50.31 C ATOM 340 CD1 PHE A 25 -10.938 -11.201 3.582 1.00 43.24 C ATOM 341 CD2 PHE A 25 -9.722 -12.182 1.819 1.00 61.41 C ATOM 342 CE1 PHE A 25 -9.797 -11.297 4.422 1.00 51.32 C ATOM 343 CE2 PHE A 25 -8.581 -12.278 2.659 1.00 31.21 C ATOM 344 CZ PHE A 25 -8.643 -11.833 3.943 1.00 62.32 C ATOM 0 H PHE A 25 -14.454 -12.161 0.963 1.00 11.55 H new ATOM 0 HA PHE A 25 -11.889 -13.057 -0.167 1.00 23.50 H new ATOM 0 HB2 PHE A 25 -11.914 -10.794 0.622 1.00 32.35 H new ATOM 0 HB3 PHE A 25 -12.949 -11.184 1.982 1.00 32.35 H new ATOM 0 HD1 PHE A 25 -11.855 -10.775 3.962 1.00 43.24 H new ATOM 0 HD2 PHE A 25 -9.673 -12.535 0.799 1.00 61.41 H new ATOM 0 HE1 PHE A 25 -9.846 -10.944 5.442 1.00 51.32 H new ATOM 0 HE2 PHE A 25 -7.664 -12.704 2.279 1.00 31.21 H new ATOM 0 HZ PHE A 25 -7.775 -11.905 4.582 1.00 62.32 H new ATOM 354 N ASP A 26 -11.219 -14.767 1.459 1.00 55.25 N ATOM 355 CA ASP A 26 -10.891 -15.894 2.314 1.00 30.33 C ATOM 356 C ASP A 26 -9.393 -15.875 2.623 1.00 64.20 C ATOM 357 O ASP A 26 -8.592 -16.417 1.862 1.00 4.45 O ATOM 358 CB ASP A 26 -11.215 -17.221 1.625 1.00 20.35 C ATOM 359 CG ASP A 26 -12.691 -17.622 1.656 1.00 32.40 C ATOM 360 OD1 ASP A 26 -13.558 -16.910 1.128 1.00 3.52 O ATOM 361 OD2 ASP A 26 -12.942 -18.734 2.262 1.00 42.54 O ATOM 0 H ASP A 26 -10.578 -14.623 0.679 1.00 55.25 H new ATOM 0 HA ASP A 26 -11.481 -15.808 3.226 1.00 30.33 H new ATOM 0 HB2 ASP A 26 -10.892 -17.162 0.586 1.00 20.35 H new ATOM 0 HB3 ASP A 26 -10.630 -18.010 2.096 1.00 20.35 H new ATOM 367 N HIS A 27 -9.059 -15.246 3.740 1.00 10.02 N ATOM 368 CA HIS A 27 -7.671 -15.149 4.159 1.00 61.32 C ATOM 369 C HIS A 27 -6.958 -16.474 3.881 1.00 22.24 C ATOM 370 O HIS A 27 -5.996 -16.517 3.116 1.00 71.42 O ATOM 371 CB HIS A 27 -7.574 -14.719 5.624 1.00 71.02 C ATOM 372 CG HIS A 27 -8.335 -15.610 6.577 1.00 40.41 C ATOM 373 ND1 HIS A 27 -7.726 -16.605 7.321 1.00 41.00 N ATOM 374 CD2 HIS A 27 -9.660 -15.643 6.900 1.00 62.32 C ATOM 375 CE1 HIS A 27 -8.652 -17.205 8.054 1.00 21.02 C ATOM 376 NE2 HIS A 27 -9.850 -16.608 7.791 1.00 1.04 N ATOM 0 H HIS A 27 -9.726 -14.798 4.368 1.00 10.02 H new ATOM 0 HA HIS A 27 -7.166 -14.376 3.580 1.00 61.32 H new ATOM 0 HB2 HIS A 27 -6.525 -14.702 5.918 1.00 71.02 H new ATOM 0 HB3 HIS A 27 -7.948 -13.700 5.718 1.00 71.02 H new ATOM 0 HD2 HIS A 27 -10.424 -14.994 6.499 1.00 62.32 H new ATOM 0 HE1 HIS A 27 -8.487 -18.023 8.739 1.00 21.02 H new ATOM 0 HE2 HIS A 27 -10.745 -16.862 8.210 1.00 1.04 H new ATOM 384 N LYS A 28 -7.457 -17.523 4.519 1.00 2.34 N ATOM 385 CA LYS A 28 -6.880 -18.845 4.351 1.00 25.51 C ATOM 386 C LYS A 28 -6.513 -19.054 2.880 1.00 34.13 C ATOM 387 O LYS A 28 -5.430 -19.547 2.570 1.00 1.14 O ATOM 388 CB LYS A 28 -7.820 -19.916 4.908 1.00 14.54 C ATOM 389 CG LYS A 28 -8.943 -20.228 3.917 1.00 35.24 C ATOM 390 CD LYS A 28 -9.878 -21.306 4.470 1.00 62.41 C ATOM 391 CE LYS A 28 -10.746 -20.752 5.602 1.00 63.45 C ATOM 392 NZ LYS A 28 -10.069 -20.926 6.906 1.00 20.13 N ATOM 0 H LYS A 28 -8.255 -17.483 5.153 1.00 2.34 H new ATOM 0 HA LYS A 28 -5.958 -18.933 4.926 1.00 25.51 H new ATOM 0 HB2 LYS A 28 -7.256 -20.824 5.122 1.00 14.54 H new ATOM 0 HB3 LYS A 28 -8.247 -19.576 5.851 1.00 14.54 H new ATOM 0 HG2 LYS A 28 -9.511 -19.321 3.708 1.00 35.24 H new ATOM 0 HG3 LYS A 28 -8.516 -20.562 2.971 1.00 35.24 H new ATOM 0 HD2 LYS A 28 -10.515 -21.685 3.671 1.00 62.41 H new ATOM 0 HD3 LYS A 28 -9.291 -22.148 4.836 1.00 62.41 H new ATOM 0 HE2 LYS A 28 -10.949 -19.695 5.429 1.00 63.45 H new ATOM 0 HE3 LYS A 28 -11.708 -21.263 5.614 1.00 63.45 H new ATOM 0 HZ1 LYS A 28 -10.659 -21.516 7.527 1.00 20.13 H new ATOM 0 HZ2 LYS A 28 -9.149 -21.389 6.761 1.00 20.13 H new ATOM 0 HZ3 LYS A 28 -9.923 -19.996 7.348 1.00 20.13 H new ATOM 405 N LYS A 29 -7.438 -18.668 2.013 1.00 21.51 N ATOM 406 CA LYS A 29 -7.226 -18.807 0.582 1.00 30.12 C ATOM 407 C LYS A 29 -6.097 -17.872 0.145 1.00 4.13 C ATOM 408 O LYS A 29 -5.085 -18.322 -0.390 1.00 21.42 O ATOM 409 CB LYS A 29 -8.536 -18.586 -0.177 1.00 62.32 C ATOM 410 CG LYS A 29 -9.584 -19.627 0.223 1.00 64.02 C ATOM 411 CD LYS A 29 -9.307 -20.971 -0.454 1.00 32.34 C ATOM 412 CE LYS A 29 -10.590 -21.796 -0.579 1.00 41.11 C ATOM 413 NZ LYS A 29 -11.479 -21.217 -1.611 1.00 61.43 N ATOM 0 H LYS A 29 -8.335 -18.259 2.274 1.00 21.51 H new ATOM 0 HA LYS A 29 -6.911 -19.822 0.340 1.00 30.12 H new ATOM 0 HB2 LYS A 29 -8.915 -17.585 0.029 1.00 62.32 H new ATOM 0 HB3 LYS A 29 -8.353 -18.643 -1.250 1.00 62.32 H new ATOM 0 HG2 LYS A 29 -9.581 -19.754 1.306 1.00 64.02 H new ATOM 0 HG3 LYS A 29 -10.577 -19.274 -0.054 1.00 64.02 H new ATOM 0 HD2 LYS A 29 -8.880 -20.803 -1.443 1.00 32.34 H new ATOM 0 HD3 LYS A 29 -8.567 -21.527 0.122 1.00 32.34 H new ATOM 0 HE2 LYS A 29 -10.344 -22.826 -0.839 1.00 41.11 H new ATOM 0 HE3 LYS A 29 -11.106 -21.824 0.380 1.00 41.11 H new ATOM 0 HZ1 LYS A 29 -12.137 -21.947 -1.951 1.00 61.43 H new ATOM 0 HZ2 LYS A 29 -12.019 -20.428 -1.201 1.00 61.43 H new ATOM 0 HZ3 LYS A 29 -10.907 -20.869 -2.407 1.00 61.43 H new ATOM 426 N PHE A 30 -6.308 -16.587 0.390 1.00 44.12 N ATOM 427 CA PHE A 30 -5.320 -15.584 0.028 1.00 22.43 C ATOM 428 C PHE A 30 -3.900 -16.097 0.280 1.00 75.43 C ATOM 429 O PHE A 30 -3.099 -16.195 -0.648 1.00 25.22 O ATOM 430 CB PHE A 30 -5.574 -14.365 0.917 1.00 22.43 C ATOM 431 CG PHE A 30 -4.766 -13.128 0.522 1.00 4.21 C ATOM 432 CD1 PHE A 30 -3.443 -13.053 0.830 1.00 42.24 C ATOM 433 CD2 PHE A 30 -5.370 -12.103 -0.136 1.00 42.25 C ATOM 434 CE1 PHE A 30 -2.693 -11.904 0.463 1.00 62.31 C ATOM 435 CE2 PHE A 30 -4.620 -10.954 -0.503 1.00 63.21 C ATOM 436 CZ PHE A 30 -3.297 -10.879 -0.196 1.00 20.23 C ATOM 0 H PHE A 30 -7.148 -16.217 0.835 1.00 44.12 H new ATOM 0 HA PHE A 30 -5.407 -15.341 -1.031 1.00 22.43 H new ATOM 0 HB2 PHE A 30 -6.635 -14.119 0.884 1.00 22.43 H new ATOM 0 HB3 PHE A 30 -5.339 -14.625 1.949 1.00 22.43 H new ATOM 0 HD1 PHE A 30 -2.963 -13.867 1.353 1.00 42.24 H new ATOM 0 HD2 PHE A 30 -6.420 -12.162 -0.380 1.00 42.25 H new ATOM 0 HE1 PHE A 30 -1.643 -11.844 0.707 1.00 62.31 H new ATOM 0 HE2 PHE A 30 -5.100 -10.140 -1.026 1.00 63.21 H new ATOM 0 HZ PHE A 30 -2.726 -10.006 -0.475 1.00 20.23 H new ATOM 446 N PHE A 31 -3.633 -16.411 1.539 1.00 75.41 N ATOM 447 CA PHE A 31 -2.325 -16.912 1.924 1.00 2.11 C ATOM 448 C PHE A 31 -1.884 -18.056 1.009 1.00 50.24 C ATOM 449 O PHE A 31 -0.715 -18.143 0.638 1.00 65.34 O ATOM 450 CB PHE A 31 -2.451 -17.439 3.355 1.00 60.13 C ATOM 451 CG PHE A 31 -2.678 -16.347 4.403 1.00 64.45 C ATOM 452 CD1 PHE A 31 -3.557 -16.553 5.420 1.00 64.12 C ATOM 453 CD2 PHE A 31 -2.000 -15.171 4.317 1.00 72.25 C ATOM 454 CE1 PHE A 31 -3.767 -15.540 6.392 1.00 1.11 C ATOM 455 CE2 PHE A 31 -2.211 -14.158 5.289 1.00 43.01 C ATOM 456 CZ PHE A 31 -3.090 -14.364 6.306 1.00 4.32 C ATOM 0 H PHE A 31 -4.301 -16.328 2.306 1.00 75.41 H new ATOM 0 HA PHE A 31 -1.585 -16.116 1.847 1.00 2.11 H new ATOM 0 HB2 PHE A 31 -3.278 -18.148 3.399 1.00 60.13 H new ATOM 0 HB3 PHE A 31 -1.545 -17.990 3.609 1.00 60.13 H new ATOM 0 HD1 PHE A 31 -4.095 -17.487 5.488 1.00 64.12 H new ATOM 0 HD2 PHE A 31 -1.301 -15.008 3.510 1.00 72.25 H new ATOM 0 HE1 PHE A 31 -4.465 -15.703 7.200 1.00 1.11 H new ATOM 0 HE2 PHE A 31 -1.673 -13.224 5.221 1.00 43.01 H new ATOM 0 HZ PHE A 31 -3.250 -13.593 7.045 1.00 4.32 H new ATOM 466 N LYS A 32 -2.844 -18.904 0.671 1.00 61.22 N ATOM 467 CA LYS A 32 -2.569 -20.039 -0.194 1.00 75.02 C ATOM 468 C LYS A 32 -2.444 -19.554 -1.640 1.00 73.30 C ATOM 469 O LYS A 32 -1.820 -20.215 -2.468 1.00 72.54 O ATOM 470 CB LYS A 32 -3.626 -21.129 0.000 1.00 40.52 C ATOM 471 CG LYS A 32 -3.192 -22.128 1.074 1.00 12.11 C ATOM 472 CD LYS A 32 -2.086 -23.048 0.553 1.00 54.23 C ATOM 473 CE LYS A 32 -2.630 -24.017 -0.499 1.00 41.55 C ATOM 474 NZ LYS A 32 -1.819 -25.254 -0.532 1.00 70.24 N ATOM 0 H LYS A 32 -3.813 -18.828 0.980 1.00 61.22 H new ATOM 0 HA LYS A 32 -1.617 -20.499 0.072 1.00 75.02 H new ATOM 0 HB2 LYS A 32 -4.575 -20.674 0.284 1.00 40.52 H new ATOM 0 HB3 LYS A 32 -3.792 -21.652 -0.942 1.00 40.52 H new ATOM 0 HG2 LYS A 32 -2.838 -21.591 1.954 1.00 12.11 H new ATOM 0 HG3 LYS A 32 -4.048 -22.725 1.388 1.00 12.11 H new ATOM 0 HD2 LYS A 32 -1.284 -22.450 0.121 1.00 54.23 H new ATOM 0 HD3 LYS A 32 -1.655 -23.610 1.382 1.00 54.23 H new ATOM 0 HE2 LYS A 32 -3.668 -24.262 -0.274 1.00 41.55 H new ATOM 0 HE3 LYS A 32 -2.619 -23.542 -1.480 1.00 41.55 H new ATOM 0 HZ1 LYS A 32 -2.201 -25.901 -1.251 1.00 70.24 H new ATOM 0 HZ2 LYS A 32 -0.834 -25.017 -0.768 1.00 70.24 H new ATOM 0 HZ3 LYS A 32 -1.850 -25.715 0.400 1.00 70.24 H new ATOM 487 N ALA A 33 -3.048 -18.404 -1.899 1.00 2.51 N ATOM 488 CA ALA A 33 -3.012 -17.822 -3.230 1.00 62.52 C ATOM 489 C ALA A 33 -1.686 -17.085 -3.424 1.00 45.33 C ATOM 490 O ALA A 33 -1.195 -16.967 -4.546 1.00 41.01 O ATOM 491 CB ALA A 33 -4.222 -16.906 -3.420 1.00 51.03 C ATOM 0 H ALA A 33 -3.566 -17.859 -1.209 1.00 2.51 H new ATOM 0 HA ALA A 33 -3.070 -18.600 -3.991 1.00 62.52 H new ATOM 0 HB1 ALA A 33 -4.195 -16.470 -4.418 1.00 51.03 H new ATOM 0 HB2 ALA A 33 -5.138 -17.484 -3.302 1.00 51.03 H new ATOM 0 HB3 ALA A 33 -4.196 -16.110 -2.675 1.00 51.03 H new ATOM 497 N CYS A 34 -1.143 -16.607 -2.314 1.00 21.10 N ATOM 498 CA CYS A 34 0.117 -15.884 -2.348 1.00 0.02 C ATOM 499 C CYS A 34 1.245 -16.869 -2.034 1.00 72.12 C ATOM 500 O CYS A 34 2.393 -16.645 -2.415 1.00 31.41 O ATOM 501 CB CYS A 34 0.113 -14.695 -1.384 1.00 61.43 C ATOM 502 SG CYS A 34 -1.537 -13.904 -1.374 1.00 2.20 S ATOM 0 H CYS A 34 -1.553 -16.706 -1.385 1.00 21.10 H new ATOM 0 HA CYS A 34 0.270 -15.462 -3.341 1.00 0.02 H new ATOM 0 HB2 CYS A 34 0.371 -15.030 -0.379 1.00 61.43 H new ATOM 0 HB3 CYS A 34 0.871 -13.971 -1.683 1.00 61.43 H new ATOM 0 HG CYS A 34 -1.671 -13.193 -0.294 1.00 2.20 H new ATOM 508 N GLY A 35 0.878 -17.938 -1.343 1.00 63.52 N ATOM 509 CA GLY A 35 1.845 -18.959 -0.974 1.00 50.41 C ATOM 510 C GLY A 35 2.304 -18.781 0.475 1.00 52.24 C ATOM 511 O GLY A 35 2.916 -19.679 1.050 1.00 34.15 O ATOM 0 H GLY A 35 -0.075 -18.120 -1.029 1.00 63.52 H new ATOM 0 HA2 GLY A 35 1.402 -19.947 -1.100 1.00 50.41 H new ATOM 0 HA3 GLY A 35 2.706 -18.908 -1.641 1.00 50.41 H new ATOM 515 N LEU A 36 1.990 -17.616 1.022 1.00 5.32 N ATOM 516 CA LEU A 36 2.363 -17.309 2.393 1.00 51.53 C ATOM 517 C LEU A 36 2.064 -18.518 3.281 1.00 64.01 C ATOM 518 O LEU A 36 2.711 -18.713 4.309 1.00 44.52 O ATOM 519 CB LEU A 36 1.680 -16.021 2.858 1.00 42.44 C ATOM 520 CG LEU A 36 2.476 -14.729 2.656 1.00 72.30 C ATOM 521 CD1 LEU A 36 1.544 -13.519 2.567 1.00 73.54 C ATOM 522 CD2 LEU A 36 3.532 -14.560 3.750 1.00 50.42 C ATOM 0 H LEU A 36 1.482 -16.874 0.541 1.00 5.32 H new ATOM 0 HA LEU A 36 3.434 -17.118 2.463 1.00 51.53 H new ATOM 0 HB2 LEU A 36 0.731 -15.926 2.331 1.00 42.44 H new ATOM 0 HB3 LEU A 36 1.447 -16.119 3.918 1.00 42.44 H new ATOM 0 HG LEU A 36 3.005 -14.798 1.705 1.00 72.30 H new ATOM 0 HD11 LEU A 36 2.135 -12.614 2.424 1.00 73.54 H new ATOM 0 HD12 LEU A 36 0.863 -13.645 1.725 1.00 73.54 H new ATOM 0 HD13 LEU A 36 0.969 -13.434 3.489 1.00 73.54 H new ATOM 0 HD21 LEU A 36 4.084 -13.635 3.583 1.00 50.42 H new ATOM 0 HD22 LEU A 36 3.044 -14.521 4.724 1.00 50.42 H new ATOM 0 HD23 LEU A 36 4.222 -15.403 3.723 1.00 50.42 H new ATOM 534 N SER A 37 1.084 -19.299 2.852 1.00 22.40 N ATOM 535 CA SER A 37 0.692 -20.485 3.596 1.00 41.44 C ATOM 536 C SER A 37 1.845 -21.490 3.624 1.00 4.44 C ATOM 537 O SER A 37 2.159 -22.050 4.674 1.00 43.25 O ATOM 538 CB SER A 37 -0.557 -21.127 2.989 1.00 61.10 C ATOM 539 OG SER A 37 -1.749 -20.699 3.643 1.00 64.13 O ATOM 0 H SER A 37 0.549 -19.134 1.999 1.00 22.40 H new ATOM 0 HA SER A 37 0.455 -20.186 4.617 1.00 41.44 H new ATOM 0 HB2 SER A 37 -0.615 -20.877 1.930 1.00 61.10 H new ATOM 0 HB3 SER A 37 -0.476 -22.212 3.056 1.00 61.10 H new ATOM 0 HG SER A 37 -2.267 -21.482 3.925 1.00 64.13 H new ATOM 545 N GLY A 38 2.445 -21.687 2.460 1.00 71.34 N ATOM 546 CA GLY A 38 3.557 -22.615 2.338 1.00 54.00 C ATOM 547 C GLY A 38 4.894 -21.897 2.534 1.00 34.32 C ATOM 548 O GLY A 38 5.954 -22.481 2.315 1.00 73.32 O ATOM 0 H GLY A 38 2.182 -21.220 1.592 1.00 71.34 H new ATOM 0 HA2 GLY A 38 3.455 -23.410 3.077 1.00 54.00 H new ATOM 0 HA3 GLY A 38 3.535 -23.088 1.356 1.00 54.00 H new ATOM 552 N LYS A 39 4.800 -20.641 2.945 1.00 31.33 N ATOM 553 CA LYS A 39 5.989 -19.838 3.174 1.00 52.25 C ATOM 554 C LYS A 39 6.613 -20.229 4.514 1.00 5.55 C ATOM 555 O LYS A 39 6.105 -21.108 5.207 1.00 32.43 O ATOM 556 CB LYS A 39 5.659 -18.348 3.060 1.00 72.23 C ATOM 557 CG LYS A 39 5.560 -17.919 1.594 1.00 1.14 C ATOM 558 CD LYS A 39 6.851 -18.244 0.840 1.00 73.13 C ATOM 559 CE LYS A 39 7.108 -17.224 -0.271 1.00 71.13 C ATOM 560 NZ LYS A 39 7.898 -17.835 -1.363 1.00 62.43 N ATOM 0 H LYS A 39 3.919 -20.160 3.125 1.00 31.33 H new ATOM 0 HA LYS A 39 6.736 -20.035 2.405 1.00 52.25 H new ATOM 0 HB2 LYS A 39 4.717 -18.141 3.568 1.00 72.23 H new ATOM 0 HB3 LYS A 39 6.428 -17.762 3.563 1.00 72.23 H new ATOM 0 HG2 LYS A 39 4.720 -18.425 1.119 1.00 1.14 H new ATOM 0 HG3 LYS A 39 5.361 -16.849 1.537 1.00 1.14 H new ATOM 0 HD2 LYS A 39 7.691 -18.250 1.535 1.00 73.13 H new ATOM 0 HD3 LYS A 39 6.785 -19.244 0.412 1.00 73.13 H new ATOM 0 HE2 LYS A 39 6.159 -16.857 -0.662 1.00 71.13 H new ATOM 0 HE3 LYS A 39 7.641 -16.363 0.134 1.00 71.13 H new ATOM 0 HZ1 LYS A 39 8.063 -17.129 -2.109 1.00 62.43 H new ATOM 0 HZ2 LYS A 39 8.811 -18.164 -0.989 1.00 62.43 H new ATOM 0 HZ3 LYS A 39 7.376 -18.642 -1.760 1.00 62.43 H new ATOM 573 N SER A 40 7.707 -19.555 4.840 1.00 21.31 N ATOM 574 CA SER A 40 8.407 -19.821 6.086 1.00 75.13 C ATOM 575 C SER A 40 7.979 -18.810 7.152 1.00 62.23 C ATOM 576 O SER A 40 7.851 -17.620 6.868 1.00 20.21 O ATOM 577 CB SER A 40 9.923 -19.774 5.887 1.00 52.32 C ATOM 578 OG SER A 40 10.358 -20.685 4.882 1.00 61.51 O ATOM 0 H SER A 40 8.126 -18.825 4.263 1.00 21.31 H new ATOM 0 HA SER A 40 8.143 -20.825 6.420 1.00 75.13 H new ATOM 0 HB2 SER A 40 10.221 -18.762 5.613 1.00 52.32 H new ATOM 0 HB3 SER A 40 10.420 -20.009 6.828 1.00 52.32 H new ATOM 0 HG SER A 40 11.331 -20.624 4.784 1.00 61.51 H new ATOM 584 N THR A 41 7.770 -19.321 8.356 1.00 24.31 N ATOM 585 CA THR A 41 7.360 -18.478 9.466 1.00 21.11 C ATOM 586 C THR A 41 8.268 -17.251 9.568 1.00 62.04 C ATOM 587 O THR A 41 7.855 -16.209 10.075 1.00 65.21 O ATOM 588 CB THR A 41 7.353 -19.335 10.733 1.00 31.24 C ATOM 589 OG1 THR A 41 6.229 -18.859 11.468 1.00 33.02 O ATOM 590 CG2 THR A 41 8.546 -19.042 11.646 1.00 53.23 C ATOM 0 H THR A 41 7.877 -20.309 8.587 1.00 24.31 H new ATOM 0 HA THR A 41 6.354 -18.087 9.315 1.00 21.11 H new ATOM 0 HB THR A 41 7.358 -20.390 10.457 1.00 31.24 H new ATOM 0 HG1 THR A 41 6.149 -19.362 12.305 1.00 33.02 H new ATOM 0 HG21 THR A 41 8.492 -19.677 12.530 1.00 53.23 H new ATOM 0 HG22 THR A 41 9.473 -19.244 11.110 1.00 53.23 H new ATOM 0 HG23 THR A 41 8.524 -17.995 11.949 1.00 53.23 H new ATOM 598 N ASP A 42 9.488 -17.415 9.077 1.00 51.00 N ATOM 599 CA ASP A 42 10.458 -16.334 9.106 1.00 11.51 C ATOM 600 C ASP A 42 9.877 -15.114 8.387 1.00 3.04 C ATOM 601 O ASP A 42 9.666 -14.069 9.002 1.00 62.45 O ATOM 602 CB ASP A 42 11.750 -16.733 8.391 1.00 72.14 C ATOM 603 CG ASP A 42 12.997 -15.962 8.828 1.00 15.41 C ATOM 604 OD1 ASP A 42 13.499 -15.093 8.099 1.00 34.13 O ATOM 605 OD2 ASP A 42 13.461 -16.288 9.987 1.00 51.24 O ATOM 0 H ASP A 42 9.827 -18.281 8.657 1.00 51.00 H new ATOM 0 HA ASP A 42 10.679 -16.107 10.149 1.00 11.51 H new ATOM 0 HB2 ASP A 42 11.924 -17.797 8.554 1.00 72.14 H new ATOM 0 HB3 ASP A 42 11.612 -16.593 7.319 1.00 72.14 H new ATOM 611 N GLU A 43 9.636 -15.287 7.096 1.00 35.43 N ATOM 612 CA GLU A 43 9.083 -14.214 6.287 1.00 4.05 C ATOM 613 C GLU A 43 7.706 -13.806 6.815 1.00 63.41 C ATOM 614 O GLU A 43 7.359 -12.626 6.807 1.00 72.55 O ATOM 615 CB GLU A 43 9.008 -14.621 4.814 1.00 0.55 C ATOM 616 CG GLU A 43 7.718 -15.389 4.523 1.00 35.11 C ATOM 617 CD GLU A 43 7.619 -15.752 3.040 1.00 35.00 C ATOM 618 OE1 GLU A 43 6.692 -15.299 2.352 1.00 72.44 O ATOM 619 OE2 GLU A 43 8.549 -16.533 2.607 1.00 60.34 O ATOM 0 H GLU A 43 9.814 -16.155 6.590 1.00 35.43 H new ATOM 0 HA GLU A 43 9.747 -13.352 6.358 1.00 4.05 H new ATOM 0 HB2 GLU A 43 9.056 -13.732 4.185 1.00 0.55 H new ATOM 0 HB3 GLU A 43 9.869 -15.239 4.559 1.00 0.55 H new ATOM 0 HG2 GLU A 43 7.687 -16.296 5.126 1.00 35.11 H new ATOM 0 HG3 GLU A 43 6.858 -14.785 4.811 1.00 35.11 H new ATOM 627 N VAL A 44 6.959 -14.805 7.261 1.00 24.53 N ATOM 628 CA VAL A 44 5.628 -14.566 7.791 1.00 11.35 C ATOM 629 C VAL A 44 5.669 -13.363 8.737 1.00 70.24 C ATOM 630 O VAL A 44 4.793 -12.501 8.688 1.00 43.31 O ATOM 631 CB VAL A 44 5.095 -15.834 8.461 1.00 71.12 C ATOM 632 CG1 VAL A 44 3.800 -15.548 9.224 1.00 23.54 C ATOM 633 CG2 VAL A 44 4.892 -16.951 7.435 1.00 33.22 C ATOM 0 H VAL A 44 7.251 -15.782 7.266 1.00 24.53 H new ATOM 0 HA VAL A 44 4.935 -14.324 6.986 1.00 11.35 H new ATOM 0 HB VAL A 44 5.840 -16.172 9.181 1.00 71.12 H new ATOM 0 HG11 VAL A 44 3.442 -16.466 9.691 1.00 23.54 H new ATOM 0 HG12 VAL A 44 3.989 -14.799 9.993 1.00 23.54 H new ATOM 0 HG13 VAL A 44 3.045 -15.175 8.532 1.00 23.54 H new ATOM 0 HG21 VAL A 44 4.513 -17.841 7.937 1.00 33.22 H new ATOM 0 HG22 VAL A 44 4.175 -16.626 6.681 1.00 33.22 H new ATOM 0 HG23 VAL A 44 5.843 -17.182 6.956 1.00 33.22 H new ATOM 643 N LYS A 45 6.695 -13.344 9.574 1.00 21.35 N ATOM 644 CA LYS A 45 6.862 -12.262 10.529 1.00 12.23 C ATOM 645 C LYS A 45 7.204 -10.973 9.778 1.00 20.45 C ATOM 646 O LYS A 45 6.757 -9.892 10.158 1.00 21.10 O ATOM 647 CB LYS A 45 7.889 -12.643 11.597 1.00 2.21 C ATOM 648 CG LYS A 45 7.471 -13.919 12.330 1.00 32.00 C ATOM 649 CD LYS A 45 8.694 -14.683 12.842 1.00 75.32 C ATOM 650 CE LYS A 45 8.273 -15.893 13.679 1.00 1.21 C ATOM 651 NZ LYS A 45 7.951 -15.478 15.063 1.00 24.41 N ATOM 0 H LYS A 45 7.420 -14.061 9.611 1.00 21.35 H new ATOM 0 HA LYS A 45 5.931 -12.081 11.066 1.00 12.23 H new ATOM 0 HB2 LYS A 45 8.864 -12.789 11.133 1.00 2.21 H new ATOM 0 HB3 LYS A 45 7.995 -11.827 12.312 1.00 2.21 H new ATOM 0 HG2 LYS A 45 6.820 -13.665 13.166 1.00 32.00 H new ATOM 0 HG3 LYS A 45 6.895 -14.556 11.659 1.00 32.00 H new ATOM 0 HD2 LYS A 45 9.301 -15.013 11.999 1.00 75.32 H new ATOM 0 HD3 LYS A 45 9.317 -14.020 13.442 1.00 75.32 H new ATOM 0 HE2 LYS A 45 7.406 -16.372 13.225 1.00 1.21 H new ATOM 0 HE3 LYS A 45 9.075 -16.631 13.691 1.00 1.21 H new ATOM 0 HZ1 LYS A 45 7.667 -16.311 15.618 1.00 24.41 H new ATOM 0 HZ2 LYS A 45 8.788 -15.041 15.498 1.00 24.41 H new ATOM 0 HZ3 LYS A 45 7.171 -14.791 15.047 1.00 24.41 H new ATOM 664 N LYS A 46 7.994 -11.131 8.727 1.00 71.44 N ATOM 665 CA LYS A 46 8.401 -9.994 7.919 1.00 22.11 C ATOM 666 C LYS A 46 7.205 -9.498 7.104 1.00 30.13 C ATOM 667 O LYS A 46 7.191 -8.356 6.648 1.00 11.11 O ATOM 668 CB LYS A 46 9.620 -10.352 7.066 1.00 3.44 C ATOM 669 CG LYS A 46 10.609 -11.212 7.856 1.00 35.23 C ATOM 670 CD LYS A 46 10.853 -10.628 9.249 1.00 0.10 C ATOM 671 CE LYS A 46 11.281 -9.161 9.161 1.00 35.51 C ATOM 672 NZ LYS A 46 11.251 -8.532 10.500 1.00 12.21 N ATOM 0 H LYS A 46 8.363 -12.029 8.416 1.00 71.44 H new ATOM 0 HA LYS A 46 8.717 -9.168 8.556 1.00 22.11 H new ATOM 0 HB2 LYS A 46 9.299 -10.888 6.173 1.00 3.44 H new ATOM 0 HB3 LYS A 46 10.113 -9.440 6.730 1.00 3.44 H new ATOM 0 HG2 LYS A 46 10.222 -12.227 7.946 1.00 35.23 H new ATOM 0 HG3 LYS A 46 11.553 -11.277 7.315 1.00 35.23 H new ATOM 0 HD2 LYS A 46 9.945 -10.710 9.846 1.00 0.10 H new ATOM 0 HD3 LYS A 46 11.624 -11.205 9.760 1.00 0.10 H new ATOM 0 HE2 LYS A 46 12.285 -9.093 8.743 1.00 35.51 H new ATOM 0 HE3 LYS A 46 10.618 -8.622 8.485 1.00 35.51 H new ATOM 0 HZ1 LYS A 46 11.544 -7.537 10.423 1.00 12.21 H new ATOM 0 HZ2 LYS A 46 10.286 -8.580 10.885 1.00 12.21 H new ATOM 0 HZ3 LYS A 46 11.902 -9.036 11.135 1.00 12.21 H new ATOM 685 N ALA A 47 6.230 -10.381 6.946 1.00 22.43 N ATOM 686 CA ALA A 47 5.032 -10.048 6.195 1.00 44.45 C ATOM 687 C ALA A 47 4.033 -9.350 7.119 1.00 1.52 C ATOM 688 O ALA A 47 3.298 -8.462 6.688 1.00 24.13 O ATOM 689 CB ALA A 47 4.455 -11.316 5.564 1.00 62.41 C ATOM 0 H ALA A 47 6.246 -11.328 7.326 1.00 22.43 H new ATOM 0 HA ALA A 47 5.268 -9.359 5.384 1.00 44.45 H new ATOM 0 HB1 ALA A 47 3.556 -11.065 5.001 1.00 62.41 H new ATOM 0 HB2 ALA A 47 5.193 -11.757 4.893 1.00 62.41 H new ATOM 0 HB3 ALA A 47 4.204 -12.031 6.348 1.00 62.41 H new ATOM 695 N PHE A 48 4.038 -9.777 8.373 1.00 12.23 N ATOM 696 CA PHE A 48 3.141 -9.204 9.363 1.00 52.15 C ATOM 697 C PHE A 48 3.447 -7.722 9.587 1.00 52.30 C ATOM 698 O PHE A 48 2.597 -6.975 10.069 1.00 12.22 O ATOM 699 CB PHE A 48 3.373 -9.964 10.670 1.00 53.01 C ATOM 700 CG PHE A 48 2.855 -9.237 11.913 1.00 43.33 C ATOM 701 CD1 PHE A 48 3.530 -8.162 12.402 1.00 24.32 C ATOM 702 CD2 PHE A 48 1.720 -9.665 12.528 1.00 44.32 C ATOM 703 CE1 PHE A 48 3.050 -7.487 13.556 1.00 62.45 C ATOM 704 CE2 PHE A 48 1.240 -8.990 13.681 1.00 2.22 C ATOM 705 CZ PHE A 48 1.915 -7.915 14.171 1.00 63.42 C ATOM 0 H PHE A 48 4.649 -10.513 8.727 1.00 12.23 H new ATOM 0 HA PHE A 48 2.109 -9.287 9.022 1.00 52.15 H new ATOM 0 HB2 PHE A 48 2.888 -10.938 10.603 1.00 53.01 H new ATOM 0 HB3 PHE A 48 4.441 -10.147 10.787 1.00 53.01 H new ATOM 0 HD1 PHE A 48 4.431 -7.822 11.913 1.00 24.32 H new ATOM 0 HD2 PHE A 48 1.184 -10.518 12.139 1.00 44.32 H new ATOM 0 HE1 PHE A 48 3.586 -6.634 13.945 1.00 62.45 H new ATOM 0 HE2 PHE A 48 0.339 -9.330 14.169 1.00 2.22 H new ATOM 0 HZ PHE A 48 1.550 -7.402 15.048 1.00 63.42 H new ATOM 715 N ALA A 49 4.663 -7.340 9.227 1.00 63.35 N ATOM 716 CA ALA A 49 5.092 -5.961 9.383 1.00 41.35 C ATOM 717 C ALA A 49 4.674 -5.159 8.148 1.00 2.34 C ATOM 718 O ALA A 49 4.814 -3.937 8.121 1.00 1.10 O ATOM 719 CB ALA A 49 6.603 -5.919 9.621 1.00 71.33 C ATOM 0 H ALA A 49 5.365 -7.962 8.827 1.00 63.35 H new ATOM 0 HA ALA A 49 4.613 -5.506 10.250 1.00 41.35 H new ATOM 0 HB1 ALA A 49 6.924 -4.884 9.738 1.00 71.33 H new ATOM 0 HB2 ALA A 49 6.845 -6.478 10.525 1.00 71.33 H new ATOM 0 HB3 ALA A 49 7.118 -6.365 8.770 1.00 71.33 H new ATOM 725 N ILE A 50 4.170 -5.879 7.157 1.00 14.42 N ATOM 726 CA ILE A 50 3.730 -5.249 5.923 1.00 25.43 C ATOM 727 C ILE A 50 2.391 -4.550 6.161 1.00 34.13 C ATOM 728 O ILE A 50 2.233 -3.375 5.834 1.00 72.03 O ATOM 729 CB ILE A 50 3.698 -6.270 4.784 1.00 53.33 C ATOM 730 CG1 ILE A 50 5.057 -6.952 4.620 1.00 62.43 C ATOM 731 CG2 ILE A 50 3.221 -5.623 3.482 1.00 54.41 C ATOM 732 CD1 ILE A 50 6.030 -6.058 3.849 1.00 63.22 C ATOM 0 H ILE A 50 4.056 -6.892 7.183 1.00 14.42 H new ATOM 0 HA ILE A 50 4.439 -4.481 5.613 1.00 25.43 H new ATOM 0 HB ILE A 50 2.978 -7.046 5.042 1.00 53.33 H new ATOM 0 HG12 ILE A 50 5.471 -7.185 5.601 1.00 62.43 H new ATOM 0 HG13 ILE A 50 4.932 -7.898 4.093 1.00 62.43 H new ATOM 0 HG21 ILE A 50 3.207 -6.370 2.688 1.00 54.41 H new ATOM 0 HG22 ILE A 50 2.217 -5.223 3.621 1.00 54.41 H new ATOM 0 HG23 ILE A 50 3.899 -4.815 3.208 1.00 54.41 H new ATOM 0 HD11 ILE A 50 6.988 -6.567 3.747 1.00 63.22 H new ATOM 0 HD12 ILE A 50 5.624 -5.846 2.860 1.00 63.22 H new ATOM 0 HD13 ILE A 50 6.172 -5.123 4.391 1.00 63.22 H new ATOM 744 N ILE A 51 1.460 -5.302 6.730 1.00 73.23 N ATOM 745 CA ILE A 51 0.138 -4.769 7.015 1.00 24.24 C ATOM 746 C ILE A 51 0.256 -3.664 8.067 1.00 35.00 C ATOM 747 O ILE A 51 -0.056 -2.506 7.793 1.00 22.00 O ATOM 748 CB ILE A 51 -0.819 -5.895 7.410 1.00 15.14 C ATOM 749 CG1 ILE A 51 -0.529 -7.167 6.612 1.00 74.34 C ATOM 750 CG2 ILE A 51 -2.276 -5.450 7.270 1.00 55.42 C ATOM 751 CD1 ILE A 51 0.220 -8.192 7.466 1.00 74.12 C ATOM 0 H ILE A 51 1.595 -6.276 7.001 1.00 73.23 H new ATOM 0 HA ILE A 51 -0.292 -4.315 6.122 1.00 24.24 H new ATOM 0 HB ILE A 51 -0.654 -6.131 8.461 1.00 15.14 H new ATOM 0 HG12 ILE A 51 -1.465 -7.599 6.257 1.00 74.34 H new ATOM 0 HG13 ILE A 51 0.063 -6.920 5.731 1.00 74.34 H new ATOM 0 HG21 ILE A 51 -2.936 -6.269 7.557 1.00 55.42 H new ATOM 0 HG22 ILE A 51 -2.459 -4.593 7.918 1.00 55.42 H new ATOM 0 HG23 ILE A 51 -2.473 -5.171 6.235 1.00 55.42 H new ATOM 0 HD11 ILE A 51 0.413 -9.087 6.874 1.00 74.12 H new ATOM 0 HD12 ILE A 51 1.166 -7.766 7.799 1.00 74.12 H new ATOM 0 HD13 ILE A 51 -0.385 -8.455 8.334 1.00 74.12 H new ATOM 763 N ASP A 52 0.705 -4.061 9.248 1.00 3.34 N ATOM 764 CA ASP A 52 0.867 -3.118 10.342 1.00 23.25 C ATOM 765 C ASP A 52 1.995 -2.141 10.005 1.00 51.31 C ATOM 766 O ASP A 52 3.162 -2.416 10.278 1.00 63.15 O ATOM 767 CB ASP A 52 1.239 -3.839 11.640 1.00 40.12 C ATOM 768 CG ASP A 52 0.871 -3.091 12.923 1.00 21.51 C ATOM 769 OD1 ASP A 52 -0.313 -2.959 13.268 1.00 24.10 O ATOM 770 OD2 ASP A 52 1.873 -2.627 13.590 1.00 21.40 O ATOM 0 H ASP A 52 0.962 -5.022 9.472 1.00 3.34 H new ATOM 0 HA ASP A 52 -0.079 -2.594 10.478 1.00 23.25 H new ATOM 0 HB2 ASP A 52 0.748 -4.812 11.651 1.00 40.12 H new ATOM 0 HB3 ASP A 52 2.313 -4.024 11.640 1.00 40.12 H new ATOM 776 N GLN A 53 1.606 -1.019 9.417 1.00 62.14 N ATOM 777 CA GLN A 53 2.570 0.001 9.039 1.00 72.10 C ATOM 778 C GLN A 53 2.905 0.885 10.242 1.00 44.24 C ATOM 779 O GLN A 53 3.943 1.509 10.349 1.00 15.42 O ATOM 780 CB GLN A 53 2.050 0.840 7.870 1.00 64.34 C ATOM 781 CG GLN A 53 1.618 -0.052 6.704 1.00 31.53 C ATOM 782 CD GLN A 53 0.356 0.495 6.034 1.00 44.05 C ATOM 783 OE1 GLN A 53 0.392 1.442 5.265 1.00 70.43 O ATOM 784 NE2 GLN A 53 -0.757 -0.151 6.366 1.00 33.44 N ATOM 0 H GLN A 53 0.637 -0.794 9.193 1.00 62.14 H new ATOM 0 HA GLN A 53 3.484 -0.494 8.710 1.00 72.10 H new ATOM 0 HB2 GLN A 53 1.207 1.447 8.200 1.00 64.34 H new ATOM 0 HB3 GLN A 53 2.827 1.528 7.538 1.00 64.34 H new ATOM 0 HG2 GLN A 53 2.424 -0.116 5.973 1.00 31.53 H new ATOM 0 HG3 GLN A 53 1.433 -1.064 7.065 1.00 31.53 H new ATOM 0 HE21 GLN A 53 -0.716 -0.936 7.016 1.00 33.44 H new ATOM 0 HE22 GLN A 53 -1.652 0.138 5.971 1.00 33.44 H new ATOM 793 N ASP A 54 1.987 0.929 11.167 1.00 23.00 N ATOM 794 CA ASP A 54 2.198 1.751 12.392 1.00 33.21 C ATOM 795 C ASP A 54 3.268 1.105 13.279 1.00 75.24 C ATOM 796 O ASP A 54 4.076 1.845 13.836 1.00 24.45 O ATOM 797 CB ASP A 54 0.844 1.756 13.102 1.00 15.52 C ATOM 798 CG ASP A 54 0.337 0.321 13.249 1.00 32.11 C ATOM 799 OD1 ASP A 54 0.859 -0.388 14.095 1.00 54.32 O ATOM 800 OD2 ASP A 54 -0.564 -0.048 12.513 1.00 64.31 O ATOM 0 H ASP A 54 1.098 0.430 11.128 1.00 23.00 H new ATOM 0 HA ASP A 54 2.540 2.760 12.162 1.00 33.21 H new ATOM 0 HB2 ASP A 54 0.938 2.221 14.083 1.00 15.52 H new ATOM 0 HB3 ASP A 54 0.127 2.350 12.535 1.00 15.52 H new ATOM 805 N LYS A 55 3.254 -0.215 13.394 1.00 14.04 N ATOM 806 CA LYS A 55 4.231 -0.904 14.220 1.00 34.12 C ATOM 807 C LYS A 55 3.887 -0.689 15.696 1.00 63.04 C ATOM 808 O LYS A 55 4.740 -0.279 16.482 1.00 51.45 O ATOM 809 CB LYS A 55 5.649 -0.468 13.849 1.00 42.41 C ATOM 810 CG LYS A 55 5.805 -0.343 12.332 1.00 50.31 C ATOM 811 CD LYS A 55 5.445 -1.656 11.634 1.00 52.43 C ATOM 812 CE LYS A 55 6.551 -2.696 11.819 1.00 71.31 C ATOM 813 NZ LYS A 55 6.413 -3.372 13.129 1.00 41.52 N ATOM 0 H LYS A 55 2.582 -0.825 12.929 1.00 14.04 H new ATOM 0 HA LYS A 55 4.195 -1.978 14.037 1.00 34.12 H new ATOM 0 HB2 LYS A 55 5.875 0.488 14.321 1.00 42.41 H new ATOM 0 HB3 LYS A 55 6.368 -1.191 14.234 1.00 42.41 H new ATOM 0 HG2 LYS A 55 5.164 0.457 11.962 1.00 50.31 H new ATOM 0 HG3 LYS A 55 6.831 -0.068 12.090 1.00 50.31 H new ATOM 0 HD2 LYS A 55 4.508 -2.041 12.036 1.00 52.43 H new ATOM 0 HD3 LYS A 55 5.285 -1.475 10.571 1.00 52.43 H new ATOM 0 HE2 LYS A 55 6.504 -3.432 11.017 1.00 71.31 H new ATOM 0 HE3 LYS A 55 7.526 -2.214 11.753 1.00 71.31 H new ATOM 0 HZ1 LYS A 55 6.668 -4.375 13.030 1.00 41.52 H new ATOM 0 HZ2 LYS A 55 7.045 -2.920 13.821 1.00 41.52 H new ATOM 0 HZ3 LYS A 55 5.429 -3.296 13.457 1.00 41.52 H new ATOM 826 N SER A 56 2.637 -0.976 16.027 1.00 1.22 N ATOM 827 CA SER A 56 2.171 -0.819 17.394 1.00 14.14 C ATOM 828 C SER A 56 2.592 -2.027 18.233 1.00 22.11 C ATOM 829 O SER A 56 2.824 -1.903 19.435 1.00 45.35 O ATOM 830 CB SER A 56 0.651 -0.644 17.441 1.00 24.43 C ATOM 831 OG SER A 56 0.176 0.184 16.384 1.00 43.23 O ATOM 0 H SER A 56 1.933 -1.316 15.372 1.00 1.22 H new ATOM 0 HA SER A 56 2.627 0.080 17.809 1.00 14.14 H new ATOM 0 HB2 SER A 56 0.172 -1.621 17.380 1.00 24.43 H new ATOM 0 HB3 SER A 56 0.366 -0.209 18.399 1.00 24.43 H new ATOM 0 HG SER A 56 0.041 -0.358 15.579 1.00 43.23 H new ATOM 837 N GLY A 57 2.678 -3.169 17.566 1.00 3.24 N ATOM 838 CA GLY A 57 3.068 -4.399 18.235 1.00 11.52 C ATOM 839 C GLY A 57 2.138 -5.551 17.850 1.00 41.24 C ATOM 840 O GLY A 57 2.576 -6.694 17.732 1.00 64.03 O ATOM 0 H GLY A 57 2.484 -3.268 16.569 1.00 3.24 H new ATOM 0 HA2 GLY A 57 4.095 -4.652 17.970 1.00 11.52 H new ATOM 0 HA3 GLY A 57 3.044 -4.253 19.315 1.00 11.52 H new ATOM 844 N PHE A 58 0.871 -5.210 17.664 1.00 44.12 N ATOM 845 CA PHE A 58 -0.124 -6.202 17.294 1.00 51.30 C ATOM 846 C PHE A 58 -1.044 -5.671 16.193 1.00 15.31 C ATOM 847 O PHE A 58 -1.409 -4.496 16.197 1.00 43.14 O ATOM 848 CB PHE A 58 -0.957 -6.487 18.545 1.00 31.40 C ATOM 849 CG PHE A 58 -0.159 -7.101 19.697 1.00 1.44 C ATOM 850 CD1 PHE A 58 -0.241 -6.562 20.944 1.00 71.23 C ATOM 851 CD2 PHE A 58 0.633 -8.184 19.476 1.00 53.15 C ATOM 852 CE1 PHE A 58 0.500 -7.131 22.013 1.00 33.21 C ATOM 853 CE2 PHE A 58 1.374 -8.753 20.545 1.00 14.10 C ATOM 854 CZ PHE A 58 1.291 -8.214 21.791 1.00 24.53 C ATOM 0 H PHE A 58 0.511 -4.261 17.763 1.00 44.12 H new ATOM 0 HA PHE A 58 0.367 -7.100 16.918 1.00 51.30 H new ATOM 0 HB2 PHE A 58 -1.411 -5.557 18.886 1.00 31.40 H new ATOM 0 HB3 PHE A 58 -1.772 -7.161 18.281 1.00 31.40 H new ATOM 0 HD1 PHE A 58 -0.870 -5.702 21.120 1.00 71.23 H new ATOM 0 HD2 PHE A 58 0.698 -8.612 18.486 1.00 53.15 H new ATOM 0 HE1 PHE A 58 0.435 -6.703 23.003 1.00 33.21 H new ATOM 0 HE2 PHE A 58 2.003 -9.613 20.369 1.00 14.10 H new ATOM 0 HZ PHE A 58 1.854 -8.647 22.605 1.00 24.53 H new ATOM 864 N ILE A 59 -1.394 -6.562 15.277 1.00 31.13 N ATOM 865 CA ILE A 59 -2.265 -6.198 14.173 1.00 51.03 C ATOM 866 C ILE A 59 -3.689 -5.998 14.696 1.00 42.20 C ATOM 867 O ILE A 59 -4.527 -6.891 14.583 1.00 23.23 O ATOM 868 CB ILE A 59 -2.163 -7.229 13.047 1.00 22.53 C ATOM 869 CG1 ILE A 59 -0.946 -6.956 12.162 1.00 44.24 C ATOM 870 CG2 ILE A 59 -3.460 -7.288 12.237 1.00 4.54 C ATOM 871 CD1 ILE A 59 -0.888 -7.938 10.990 1.00 70.10 C ATOM 0 H ILE A 59 -1.090 -7.536 15.277 1.00 31.13 H new ATOM 0 HA ILE A 59 -1.949 -5.251 13.736 1.00 51.03 H new ATOM 0 HB ILE A 59 -2.020 -8.212 13.496 1.00 22.53 H new ATOM 0 HG12 ILE A 59 -0.989 -5.935 11.783 1.00 44.24 H new ATOM 0 HG13 ILE A 59 -0.035 -7.038 12.755 1.00 44.24 H new ATOM 0 HG21 ILE A 59 -3.360 -8.029 11.443 1.00 4.54 H new ATOM 0 HG22 ILE A 59 -4.286 -7.567 12.892 1.00 4.54 H new ATOM 0 HG23 ILE A 59 -3.660 -6.310 11.798 1.00 4.54 H new ATOM 0 HD11 ILE A 59 -0.013 -7.721 10.377 1.00 70.10 H new ATOM 0 HD12 ILE A 59 -0.820 -8.957 11.372 1.00 70.10 H new ATOM 0 HD13 ILE A 59 -1.789 -7.836 10.385 1.00 70.10 H new ATOM 883 N GLU A 60 -3.919 -4.820 15.257 1.00 4.21 N ATOM 884 CA GLU A 60 -5.226 -4.491 15.798 1.00 14.12 C ATOM 885 C GLU A 60 -6.312 -4.731 14.747 1.00 45.25 C ATOM 886 O GLU A 60 -6.047 -4.655 13.548 1.00 43.13 O ATOM 887 CB GLU A 60 -5.263 -3.048 16.305 1.00 52.34 C ATOM 888 CG GLU A 60 -4.392 -2.882 17.551 1.00 10.24 C ATOM 889 CD GLU A 60 -3.823 -1.464 17.638 1.00 13.02 C ATOM 890 OE1 GLU A 60 -4.290 -0.564 16.924 1.00 14.04 O ATOM 891 OE2 GLU A 60 -2.862 -1.313 18.485 1.00 11.01 O ATOM 0 H GLU A 60 -3.221 -4.081 15.348 1.00 4.21 H new ATOM 0 HA GLU A 60 -5.420 -5.145 16.648 1.00 14.12 H new ATOM 0 HB2 GLU A 60 -4.915 -2.375 15.522 1.00 52.34 H new ATOM 0 HB3 GLU A 60 -6.290 -2.766 16.535 1.00 52.34 H new ATOM 0 HG2 GLU A 60 -4.982 -3.096 18.442 1.00 10.24 H new ATOM 0 HG3 GLU A 60 -3.576 -3.604 17.527 1.00 10.24 H new ATOM 899 N GLU A 61 -7.510 -5.015 15.234 1.00 73.34 N ATOM 900 CA GLU A 61 -8.637 -5.267 14.351 1.00 44.34 C ATOM 901 C GLU A 61 -8.666 -4.235 13.221 1.00 62.42 C ATOM 902 O GLU A 61 -9.186 -4.508 12.140 1.00 13.11 O ATOM 903 CB GLU A 61 -9.954 -5.265 15.128 1.00 31.24 C ATOM 904 CG GLU A 61 -11.137 -5.563 14.204 1.00 3.33 C ATOM 905 CD GLU A 61 -11.248 -7.062 13.922 1.00 61.34 C ATOM 906 OE1 GLU A 61 -12.345 -7.632 14.019 1.00 1.14 O ATOM 907 OE2 GLU A 61 -10.142 -7.638 13.589 1.00 54.34 O ATOM 0 H GLU A 61 -7.726 -5.076 16.229 1.00 73.34 H new ATOM 0 HA GLU A 61 -8.515 -6.257 13.911 1.00 44.34 H new ATOM 0 HB2 GLU A 61 -9.912 -6.010 15.923 1.00 31.24 H new ATOM 0 HB3 GLU A 61 -10.097 -4.296 15.606 1.00 31.24 H new ATOM 0 HG2 GLU A 61 -12.060 -5.206 14.662 1.00 3.33 H new ATOM 0 HG3 GLU A 61 -11.016 -5.021 13.266 1.00 3.33 H new ATOM 915 N GLU A 62 -8.100 -3.073 13.509 1.00 13.53 N ATOM 916 CA GLU A 62 -8.055 -1.999 12.531 1.00 60.10 C ATOM 917 C GLU A 62 -7.245 -2.431 11.307 1.00 41.52 C ATOM 918 O GLU A 62 -7.723 -2.336 10.177 1.00 24.33 O ATOM 919 CB GLU A 62 -7.481 -0.721 13.146 1.00 51.05 C ATOM 920 CG GLU A 62 -8.406 -0.173 14.235 1.00 64.23 C ATOM 921 CD GLU A 62 -8.222 1.337 14.402 1.00 61.55 C ATOM 922 OE1 GLU A 62 -8.240 2.077 13.407 1.00 61.11 O ATOM 923 OE2 GLU A 62 -8.057 1.735 15.617 1.00 31.34 O ATOM 0 H GLU A 62 -7.668 -2.851 14.406 1.00 13.53 H new ATOM 0 HA GLU A 62 -9.074 -1.782 12.210 1.00 60.10 H new ATOM 0 HB2 GLU A 62 -6.498 -0.927 13.569 1.00 51.05 H new ATOM 0 HB3 GLU A 62 -7.343 0.031 12.369 1.00 51.05 H new ATOM 0 HG2 GLU A 62 -9.443 -0.391 13.980 1.00 64.23 H new ATOM 0 HG3 GLU A 62 -8.198 -0.675 15.180 1.00 64.23 H new ATOM 931 N GLU A 63 -6.033 -2.895 11.573 1.00 43.43 N ATOM 932 CA GLU A 63 -5.152 -3.341 10.507 1.00 43.33 C ATOM 933 C GLU A 63 -5.689 -4.628 9.878 1.00 25.45 C ATOM 934 O GLU A 63 -5.415 -4.916 8.714 1.00 13.02 O ATOM 935 CB GLU A 63 -3.724 -3.535 11.021 1.00 61.32 C ATOM 936 CG GLU A 63 -3.070 -2.191 11.344 1.00 4.33 C ATOM 937 CD GLU A 63 -3.227 -1.847 12.827 1.00 55.32 C ATOM 938 OE1 GLU A 63 -2.985 -0.668 13.165 1.00 42.12 O ATOM 939 OE2 GLU A 63 -3.587 -2.770 13.589 1.00 74.25 O ATOM 0 H GLU A 63 -5.640 -2.972 12.511 1.00 43.43 H new ATOM 0 HA GLU A 63 -5.124 -2.569 9.738 1.00 43.33 H new ATOM 0 HB2 GLU A 63 -3.737 -4.161 11.913 1.00 61.32 H new ATOM 0 HB3 GLU A 63 -3.132 -4.061 10.272 1.00 61.32 H new ATOM 0 HG2 GLU A 63 -2.012 -2.226 11.085 1.00 4.33 H new ATOM 0 HG3 GLU A 63 -3.521 -1.407 10.735 1.00 4.33 H new ATOM 946 N LEU A 64 -6.443 -5.369 10.677 1.00 23.12 N ATOM 947 CA LEU A 64 -7.020 -6.619 10.214 1.00 72.40 C ATOM 948 C LEU A 64 -7.855 -6.356 8.959 1.00 35.44 C ATOM 949 O LEU A 64 -7.656 -7.000 7.930 1.00 2.32 O ATOM 950 CB LEU A 64 -7.800 -7.299 11.341 1.00 74.21 C ATOM 951 CG LEU A 64 -6.999 -8.250 12.233 1.00 52.22 C ATOM 952 CD1 LEU A 64 -7.920 -9.012 13.188 1.00 43.10 C ATOM 953 CD2 LEU A 64 -6.137 -9.194 11.392 1.00 1.15 C ATOM 0 H LEU A 64 -6.667 -5.127 11.642 1.00 23.12 H new ATOM 0 HA LEU A 64 -6.235 -7.321 9.933 1.00 72.40 H new ATOM 0 HB2 LEU A 64 -8.238 -6.525 11.971 1.00 74.21 H new ATOM 0 HB3 LEU A 64 -8.626 -7.856 10.899 1.00 74.21 H new ATOM 0 HG LEU A 64 -6.322 -7.655 12.846 1.00 52.22 H new ATOM 0 HD11 LEU A 64 -7.326 -9.681 13.810 1.00 43.10 H new ATOM 0 HD12 LEU A 64 -8.453 -8.304 13.822 1.00 43.10 H new ATOM 0 HD13 LEU A 64 -8.639 -9.595 12.612 1.00 43.10 H new ATOM 0 HD21 LEU A 64 -5.578 -9.859 12.050 1.00 1.15 H new ATOM 0 HD22 LEU A 64 -6.777 -9.785 10.737 1.00 1.15 H new ATOM 0 HD23 LEU A 64 -5.441 -8.611 10.789 1.00 1.15 H new ATOM 965 N LYS A 65 -8.774 -5.410 9.086 1.00 4.43 N ATOM 966 CA LYS A 65 -9.640 -5.054 7.976 1.00 50.55 C ATOM 967 C LYS A 65 -8.796 -4.458 6.847 1.00 52.32 C ATOM 968 O LYS A 65 -9.277 -4.295 5.727 1.00 74.34 O ATOM 969 CB LYS A 65 -10.769 -4.136 8.449 1.00 31.14 C ATOM 970 CG LYS A 65 -10.384 -2.664 8.287 1.00 74.24 C ATOM 971 CD LYS A 65 -11.543 -1.747 8.685 1.00 24.53 C ATOM 972 CE LYS A 65 -12.146 -2.177 10.024 1.00 74.43 C ATOM 973 NZ LYS A 65 -12.847 -1.042 10.665 1.00 62.02 N ATOM 0 H LYS A 65 -8.937 -4.879 9.941 1.00 4.43 H new ATOM 0 HA LYS A 65 -10.129 -5.942 7.575 1.00 50.55 H new ATOM 0 HB2 LYS A 65 -11.674 -4.344 7.878 1.00 31.14 H new ATOM 0 HB3 LYS A 65 -10.997 -4.343 9.495 1.00 31.14 H new ATOM 0 HG2 LYS A 65 -9.512 -2.442 8.903 1.00 74.24 H new ATOM 0 HG3 LYS A 65 -10.101 -2.470 7.252 1.00 74.24 H new ATOM 0 HD2 LYS A 65 -11.190 -0.718 8.754 1.00 24.53 H new ATOM 0 HD3 LYS A 65 -12.311 -1.769 7.912 1.00 24.53 H new ATOM 0 HE2 LYS A 65 -12.842 -3.001 9.868 1.00 74.43 H new ATOM 0 HE3 LYS A 65 -11.359 -2.545 10.683 1.00 74.43 H new ATOM 0 HZ1 LYS A 65 -13.250 -1.351 11.572 1.00 62.02 H new ATOM 0 HZ2 LYS A 65 -12.173 -0.267 10.831 1.00 62.02 H new ATOM 0 HZ3 LYS A 65 -13.611 -0.709 10.042 1.00 62.02 H new ATOM 986 N LEU A 66 -7.552 -4.148 7.181 1.00 31.43 N ATOM 987 CA LEU A 66 -6.637 -3.574 6.210 1.00 62.12 C ATOM 988 C LEU A 66 -5.682 -4.660 5.711 1.00 23.41 C ATOM 989 O LEU A 66 -4.558 -4.366 5.306 1.00 31.05 O ATOM 990 CB LEU A 66 -5.926 -2.354 6.799 1.00 14.21 C ATOM 991 CG LEU A 66 -6.833 -1.238 7.322 1.00 41.52 C ATOM 992 CD1 LEU A 66 -6.010 -0.114 7.955 1.00 63.02 C ATOM 993 CD2 LEU A 66 -7.757 -0.719 6.218 1.00 64.22 C ATOM 0 H LEU A 66 -7.156 -4.284 8.111 1.00 31.43 H new ATOM 0 HA LEU A 66 -7.185 -3.207 5.342 1.00 62.12 H new ATOM 0 HB2 LEU A 66 -5.288 -2.690 7.616 1.00 14.21 H new ATOM 0 HB3 LEU A 66 -5.272 -1.935 6.035 1.00 14.21 H new ATOM 0 HG LEU A 66 -7.468 -1.653 8.105 1.00 41.52 H new ATOM 0 HD11 LEU A 66 -6.679 0.666 8.319 1.00 63.02 H new ATOM 0 HD12 LEU A 66 -5.430 -0.512 8.788 1.00 63.02 H new ATOM 0 HD13 LEU A 66 -5.334 0.306 7.210 1.00 63.02 H new ATOM 0 HD21 LEU A 66 -8.391 0.073 6.617 1.00 64.22 H new ATOM 0 HD22 LEU A 66 -7.158 -0.326 5.397 1.00 64.22 H new ATOM 0 HD23 LEU A 66 -8.382 -1.534 5.853 1.00 64.22 H new ATOM 1005 N PHE A 67 -6.164 -5.894 5.757 1.00 42.44 N ATOM 1006 CA PHE A 67 -5.367 -7.025 5.314 1.00 21.44 C ATOM 1007 C PHE A 67 -5.137 -6.977 3.803 1.00 44.44 C ATOM 1008 O PHE A 67 -4.370 -7.772 3.262 1.00 43.11 O ATOM 1009 CB PHE A 67 -6.157 -8.290 5.657 1.00 10.23 C ATOM 1010 CG PHE A 67 -5.484 -9.587 5.202 1.00 11.45 C ATOM 1011 CD1 PHE A 67 -4.319 -9.987 5.779 1.00 12.32 C ATOM 1012 CD2 PHE A 67 -6.051 -10.339 4.222 1.00 42.15 C ATOM 1013 CE1 PHE A 67 -3.695 -11.190 5.357 1.00 22.10 C ATOM 1014 CE2 PHE A 67 -5.426 -11.542 3.799 1.00 33.33 C ATOM 1015 CZ PHE A 67 -4.261 -11.942 4.376 1.00 34.50 C ATOM 0 H PHE A 67 -7.096 -6.135 6.094 1.00 42.44 H new ATOM 0 HA PHE A 67 -4.393 -7.007 5.803 1.00 21.44 H new ATOM 0 HB2 PHE A 67 -6.308 -8.330 6.736 1.00 10.23 H new ATOM 0 HB3 PHE A 67 -7.144 -8.225 5.199 1.00 10.23 H new ATOM 0 HD1 PHE A 67 -3.869 -9.389 6.558 1.00 12.32 H new ATOM 0 HD2 PHE A 67 -6.977 -10.022 3.765 1.00 42.15 H new ATOM 0 HE1 PHE A 67 -2.770 -11.508 5.815 1.00 22.10 H new ATOM 0 HE2 PHE A 67 -5.876 -12.139 3.019 1.00 33.33 H new ATOM 0 HZ PHE A 67 -3.786 -12.857 4.055 1.00 34.50 H new ATOM 1025 N LEU A 68 -5.815 -6.035 3.163 1.00 63.10 N ATOM 1026 CA LEU A 68 -5.694 -5.872 1.724 1.00 24.12 C ATOM 1027 C LEU A 68 -4.833 -4.643 1.425 1.00 14.32 C ATOM 1028 O LEU A 68 -4.188 -4.572 0.381 1.00 44.43 O ATOM 1029 CB LEU A 68 -7.077 -5.828 1.072 1.00 62.34 C ATOM 1030 CG LEU A 68 -7.769 -7.179 0.876 1.00 13.44 C ATOM 1031 CD1 LEU A 68 -9.002 -7.038 -0.018 1.00 75.11 C ATOM 1032 CD2 LEU A 68 -6.790 -8.225 0.342 1.00 64.14 C ATOM 0 H LEU A 68 -6.450 -5.377 3.615 1.00 63.10 H new ATOM 0 HA LEU A 68 -5.187 -6.731 1.284 1.00 24.12 H new ATOM 0 HB2 LEU A 68 -7.724 -5.196 1.680 1.00 62.34 H new ATOM 0 HB3 LEU A 68 -6.983 -5.346 0.099 1.00 62.34 H new ATOM 0 HG LEU A 68 -8.115 -7.530 1.848 1.00 13.44 H new ATOM 0 HD11 LEU A 68 -9.475 -8.012 -0.141 1.00 75.11 H new ATOM 0 HD12 LEU A 68 -9.708 -6.347 0.442 1.00 75.11 H new ATOM 0 HD13 LEU A 68 -8.702 -6.654 -0.993 1.00 75.11 H new ATOM 0 HD21 LEU A 68 -7.308 -9.175 0.212 1.00 64.14 H new ATOM 0 HD22 LEU A 68 -6.392 -7.894 -0.617 1.00 64.14 H new ATOM 0 HD23 LEU A 68 -5.971 -8.352 1.050 1.00 64.14 H new ATOM 1044 N GLN A 69 -4.853 -3.705 2.361 1.00 44.22 N ATOM 1045 CA GLN A 69 -4.082 -2.482 2.211 1.00 54.14 C ATOM 1046 C GLN A 69 -2.609 -2.740 2.531 1.00 63.01 C ATOM 1047 O GLN A 69 -1.792 -1.821 2.494 1.00 64.44 O ATOM 1048 CB GLN A 69 -4.648 -1.366 3.092 1.00 64.22 C ATOM 1049 CG GLN A 69 -5.934 -0.794 2.494 1.00 53.23 C ATOM 1050 CD GLN A 69 -6.452 0.380 3.328 1.00 43.03 C ATOM 1051 OE1 GLN A 69 -5.727 1.005 4.084 1.00 25.23 O ATOM 1052 NE2 GLN A 69 -7.743 0.644 3.148 1.00 63.02 N ATOM 0 H GLN A 69 -5.391 -3.767 3.226 1.00 44.22 H new ATOM 0 HA GLN A 69 -4.155 -2.154 1.174 1.00 54.14 H new ATOM 0 HB2 GLN A 69 -4.848 -1.753 4.091 1.00 64.22 H new ATOM 0 HB3 GLN A 69 -3.909 -0.572 3.200 1.00 64.22 H new ATOM 0 HG2 GLN A 69 -5.749 -0.465 1.472 1.00 53.23 H new ATOM 0 HG3 GLN A 69 -6.694 -1.573 2.445 1.00 53.23 H new ATOM 0 HE21 GLN A 69 -8.293 0.081 2.499 1.00 63.02 H new ATOM 0 HE22 GLN A 69 -8.183 1.409 3.659 1.00 63.02 H new ATOM 1061 N ASN A 70 -2.314 -3.995 2.838 1.00 1.42 N ATOM 1062 CA ASN A 70 -0.953 -4.385 3.165 1.00 61.13 C ATOM 1063 C ASN A 70 -0.146 -4.536 1.873 1.00 14.33 C ATOM 1064 O ASN A 70 0.954 -3.998 1.758 1.00 31.21 O ATOM 1065 CB ASN A 70 -0.926 -5.728 3.898 1.00 10.52 C ATOM 1066 CG ASN A 70 -1.858 -6.738 3.226 1.00 21.14 C ATOM 1067 OD1 ASN A 70 -2.624 -6.417 2.333 1.00 11.30 O ATOM 1068 ND2 ASN A 70 -1.750 -7.974 3.705 1.00 72.32 N ATOM 0 H ASN A 70 -2.994 -4.755 2.867 1.00 1.42 H new ATOM 0 HA ASN A 70 -0.526 -3.614 3.807 1.00 61.13 H new ATOM 0 HB2 ASN A 70 0.091 -6.119 3.911 1.00 10.52 H new ATOM 0 HB3 ASN A 70 -1.226 -5.586 4.936 1.00 10.52 H new ATOM 0 HD21 ASN A 70 -2.330 -8.721 3.323 1.00 72.32 H new ATOM 0 HD22 ASN A 70 -1.088 -8.174 4.454 1.00 72.32 H new ATOM 1075 N PHE A 71 -0.725 -5.270 0.934 1.00 11.51 N ATOM 1076 CA PHE A 71 -0.074 -5.498 -0.345 1.00 0.43 C ATOM 1077 C PHE A 71 -0.375 -4.361 -1.324 1.00 1.03 C ATOM 1078 O PHE A 71 -0.153 -4.497 -2.526 1.00 33.41 O ATOM 1079 CB PHE A 71 -0.639 -6.803 -0.908 1.00 13.01 C ATOM 1080 CG PHE A 71 -0.278 -8.043 -0.087 1.00 53.21 C ATOM 1081 CD1 PHE A 71 0.942 -8.625 -0.235 1.00 50.33 C ATOM 1082 CD2 PHE A 71 -1.178 -8.563 0.791 1.00 44.15 C ATOM 1083 CE1 PHE A 71 1.277 -9.775 0.526 1.00 20.33 C ATOM 1084 CE2 PHE A 71 -0.843 -9.714 1.552 1.00 4.42 C ATOM 1085 CZ PHE A 71 0.378 -10.295 1.404 1.00 73.50 C ATOM 0 H PHE A 71 -1.638 -5.714 1.033 1.00 11.51 H new ATOM 0 HA PHE A 71 1.006 -5.548 -0.209 1.00 0.43 H new ATOM 0 HB2 PHE A 71 -1.724 -6.722 -0.966 1.00 13.01 H new ATOM 0 HB3 PHE A 71 -0.274 -6.935 -1.927 1.00 13.01 H new ATOM 0 HD1 PHE A 71 1.656 -8.212 -0.932 1.00 50.33 H new ATOM 0 HD2 PHE A 71 -2.147 -8.100 0.909 1.00 44.15 H new ATOM 0 HE1 PHE A 71 2.246 -10.237 0.408 1.00 20.33 H new ATOM 0 HE2 PHE A 71 -1.557 -10.128 2.248 1.00 4.42 H new ATOM 0 HZ PHE A 71 0.634 -11.170 1.984 1.00 73.50 H new ATOM 1095 N LYS A 72 -0.875 -3.265 -0.773 1.00 12.05 N ATOM 1096 CA LYS A 72 -1.209 -2.105 -1.582 1.00 63.41 C ATOM 1097 C LYS A 72 -1.700 -0.978 -0.672 1.00 43.41 C ATOM 1098 O LYS A 72 -2.446 -1.220 0.275 1.00 4.14 O ATOM 1099 CB LYS A 72 -2.204 -2.487 -2.680 1.00 44.21 C ATOM 1100 CG LYS A 72 -1.988 -1.638 -3.935 1.00 4.03 C ATOM 1101 CD LYS A 72 -2.660 -2.277 -5.151 1.00 55.34 C ATOM 1102 CE LYS A 72 -2.221 -1.588 -6.445 1.00 62.52 C ATOM 1103 NZ LYS A 72 -3.268 -1.719 -7.483 1.00 42.21 N ATOM 0 H LYS A 72 -1.057 -3.156 0.225 1.00 12.05 H new ATOM 0 HA LYS A 72 -0.325 -1.734 -2.100 1.00 63.41 H new ATOM 0 HB2 LYS A 72 -2.091 -3.543 -2.927 1.00 44.21 H new ATOM 0 HB3 LYS A 72 -3.222 -2.352 -2.316 1.00 44.21 H new ATOM 0 HG2 LYS A 72 -2.391 -0.638 -3.776 1.00 4.03 H new ATOM 0 HG3 LYS A 72 -0.920 -1.525 -4.123 1.00 4.03 H new ATOM 0 HD2 LYS A 72 -2.408 -3.337 -5.195 1.00 55.34 H new ATOM 0 HD3 LYS A 72 -3.743 -2.211 -5.049 1.00 55.34 H new ATOM 0 HE2 LYS A 72 -2.021 -0.534 -6.253 1.00 62.52 H new ATOM 0 HE3 LYS A 72 -1.290 -2.029 -6.801 1.00 62.52 H new ATOM 0 HZ1 LYS A 72 -2.954 -1.246 -8.354 1.00 42.21 H new ATOM 0 HZ2 LYS A 72 -3.439 -2.726 -7.678 1.00 42.21 H new ATOM 0 HZ3 LYS A 72 -4.147 -1.277 -7.147 1.00 42.21 H new ATOM 1116 N ALA A 73 -1.261 0.231 -0.992 1.00 71.00 N ATOM 1117 CA ALA A 73 -1.647 1.397 -0.215 1.00 64.11 C ATOM 1118 C ALA A 73 -2.898 2.024 -0.832 1.00 14.21 C ATOM 1119 O ALA A 73 -2.827 3.090 -1.443 1.00 22.55 O ATOM 1120 CB ALA A 73 -0.474 2.378 -0.151 1.00 32.25 C ATOM 0 H ALA A 73 -0.642 0.428 -1.778 1.00 71.00 H new ATOM 0 HA ALA A 73 -1.891 1.113 0.809 1.00 64.11 H new ATOM 0 HB1 ALA A 73 -0.763 3.253 0.432 1.00 32.25 H new ATOM 0 HB2 ALA A 73 0.380 1.893 0.321 1.00 32.25 H new ATOM 0 HB3 ALA A 73 -0.203 2.688 -1.160 1.00 32.25 H new ATOM 1126 N GLY A 74 -4.016 1.337 -0.651 1.00 34.32 N ATOM 1127 CA GLY A 74 -5.282 1.813 -1.182 1.00 13.22 C ATOM 1128 C GLY A 74 -6.297 0.673 -1.286 1.00 70.24 C ATOM 1129 O GLY A 74 -7.504 0.906 -1.250 1.00 52.14 O ATOM 0 H GLY A 74 -4.072 0.454 -0.144 1.00 34.32 H new ATOM 0 HA2 GLY A 74 -5.678 2.599 -0.539 1.00 13.22 H new ATOM 0 HA3 GLY A 74 -5.124 2.255 -2.166 1.00 13.22 H new ATOM 1133 N ALA A 75 -5.770 -0.536 -1.414 1.00 2.12 N ATOM 1134 CA ALA A 75 -6.615 -1.713 -1.524 1.00 25.11 C ATOM 1135 C ALA A 75 -7.798 -1.578 -0.564 1.00 53.41 C ATOM 1136 O ALA A 75 -7.652 -1.048 0.537 1.00 72.15 O ATOM 1137 CB ALA A 75 -5.782 -2.967 -1.249 1.00 43.21 C ATOM 0 H ALA A 75 -4.768 -0.726 -1.444 1.00 2.12 H new ATOM 0 HA ALA A 75 -7.018 -1.803 -2.533 1.00 25.11 H new ATOM 0 HB1 ALA A 75 -6.416 -3.850 -1.331 1.00 43.21 H new ATOM 0 HB2 ALA A 75 -4.972 -3.032 -1.976 1.00 43.21 H new ATOM 0 HB3 ALA A 75 -5.364 -2.913 -0.244 1.00 43.21 H new ATOM 1143 N ARG A 76 -8.944 -2.065 -1.016 1.00 73.20 N ATOM 1144 CA ARG A 76 -10.153 -2.005 -0.211 1.00 65.21 C ATOM 1145 C ARG A 76 -9.928 -2.696 1.135 1.00 32.24 C ATOM 1146 O ARG A 76 -8.932 -3.393 1.321 1.00 62.20 O ATOM 1147 CB ARG A 76 -11.327 -2.673 -0.930 1.00 3.32 C ATOM 1148 CG ARG A 76 -11.149 -4.192 -0.976 1.00 52.43 C ATOM 1149 CD ARG A 76 -11.896 -4.867 0.176 1.00 51.41 C ATOM 1150 NE ARG A 76 -12.180 -6.279 -0.163 1.00 42.13 N ATOM 1151 CZ ARG A 76 -13.176 -7.004 0.388 1.00 72.21 C ATOM 1152 NH1 ARG A 76 -13.339 -8.259 0.011 1.00 41.44 N ATOM 1153 NH2 ARG A 76 -13.994 -6.455 1.311 1.00 3.11 N ATOM 0 H ARG A 76 -9.061 -2.503 -1.930 1.00 73.20 H new ATOM 0 HA ARG A 76 -10.392 -0.954 -0.049 1.00 65.21 H new ATOM 0 HB2 ARG A 76 -12.258 -2.428 -0.419 1.00 3.32 H new ATOM 0 HB3 ARG A 76 -11.407 -2.282 -1.944 1.00 3.32 H new ATOM 0 HG2 ARG A 76 -11.517 -4.576 -1.927 1.00 52.43 H new ATOM 0 HG3 ARG A 76 -10.089 -4.439 -0.921 1.00 52.43 H new ATOM 0 HD2 ARG A 76 -11.299 -4.816 1.087 1.00 51.41 H new ATOM 0 HD3 ARG A 76 -12.828 -4.338 0.376 1.00 51.41 H new ATOM 0 HE ARG A 76 -11.586 -6.733 -0.857 1.00 42.13 H new ATOM 0 HH11 ARG A 76 -12.717 -8.667 -0.687 1.00 41.44 H new ATOM 0 HH12 ARG A 76 -14.087 -8.821 0.418 1.00 41.44 H new ATOM 0 HH21 ARG A 76 -13.862 -5.485 1.597 1.00 3.11 H new ATOM 0 HH22 ARG A 76 -14.744 -7.010 1.722 1.00 3.11 H new ATOM 1166 N ALA A 77 -10.871 -2.479 2.040 1.00 12.13 N ATOM 1167 CA ALA A 77 -10.789 -3.072 3.364 1.00 21.12 C ATOM 1168 C ALA A 77 -11.927 -4.079 3.539 1.00 72.55 C ATOM 1169 O ALA A 77 -13.078 -3.781 3.225 1.00 75.13 O ATOM 1170 CB ALA A 77 -10.821 -1.967 4.422 1.00 72.01 C ATOM 0 H ALA A 77 -11.696 -1.900 1.882 1.00 12.13 H new ATOM 0 HA ALA A 77 -9.850 -3.612 3.484 1.00 21.12 H new ATOM 0 HB1 ALA A 77 -10.759 -2.412 5.415 1.00 72.01 H new ATOM 0 HB2 ALA A 77 -9.976 -1.295 4.272 1.00 72.01 H new ATOM 0 HB3 ALA A 77 -11.751 -1.405 4.333 1.00 72.01 H new ATOM 1176 N LEU A 78 -11.566 -5.252 4.039 1.00 44.15 N ATOM 1177 CA LEU A 78 -12.542 -6.305 4.258 1.00 32.13 C ATOM 1178 C LEU A 78 -13.797 -5.706 4.897 1.00 24.15 C ATOM 1179 O LEU A 78 -13.772 -4.575 5.380 1.00 10.02 O ATOM 1180 CB LEU A 78 -11.925 -7.448 5.068 1.00 52.52 C ATOM 1181 CG LEU A 78 -10.615 -8.022 4.526 1.00 43.01 C ATOM 1182 CD1 LEU A 78 -10.547 -7.891 3.003 1.00 31.31 C ATOM 1183 CD2 LEU A 78 -9.408 -7.376 5.211 1.00 74.53 C ATOM 0 H LEU A 78 -10.610 -5.496 4.299 1.00 44.15 H new ATOM 0 HA LEU A 78 -12.846 -6.746 3.309 1.00 32.13 H new ATOM 0 HB2 LEU A 78 -11.751 -7.094 6.084 1.00 52.52 H new ATOM 0 HB3 LEU A 78 -12.654 -8.256 5.132 1.00 52.52 H new ATOM 0 HG LEU A 78 -10.587 -9.086 4.759 1.00 43.01 H new ATOM 0 HD11 LEU A 78 -9.606 -8.307 2.644 1.00 31.31 H new ATOM 0 HD12 LEU A 78 -11.378 -8.434 2.554 1.00 31.31 H new ATOM 0 HD13 LEU A 78 -10.608 -6.839 2.725 1.00 31.31 H new ATOM 0 HD21 LEU A 78 -8.489 -7.802 4.807 1.00 74.53 H new ATOM 0 HD22 LEU A 78 -9.419 -6.301 5.031 1.00 74.53 H new ATOM 0 HD23 LEU A 78 -9.454 -7.564 6.284 1.00 74.53 H new ATOM 1195 N SER A 79 -14.864 -6.491 4.880 1.00 65.50 N ATOM 1196 CA SER A 79 -16.125 -6.053 5.452 1.00 52.22 C ATOM 1197 C SER A 79 -16.069 -6.148 6.978 1.00 53.11 C ATOM 1198 O SER A 79 -15.017 -6.432 7.548 1.00 43.14 O ATOM 1199 CB SER A 79 -17.292 -6.881 4.911 1.00 55.21 C ATOM 1200 OG SER A 79 -18.536 -6.197 5.037 1.00 11.43 O ATOM 0 H SER A 79 -14.881 -7.429 4.479 1.00 65.50 H new ATOM 0 HA SER A 79 -16.288 -5.014 5.165 1.00 52.22 H new ATOM 0 HB2 SER A 79 -17.113 -7.118 3.862 1.00 55.21 H new ATOM 0 HB3 SER A 79 -17.343 -7.829 5.447 1.00 55.21 H new ATOM 0 HG SER A 79 -19.255 -6.758 4.679 1.00 11.43 H new ATOM 1206 N ASP A 80 -17.215 -5.905 7.596 1.00 15.14 N ATOM 1207 CA ASP A 80 -17.310 -5.960 9.045 1.00 13.43 C ATOM 1208 C ASP A 80 -17.299 -7.421 9.498 1.00 24.00 C ATOM 1209 O ASP A 80 -16.917 -7.721 10.628 1.00 33.43 O ATOM 1210 CB ASP A 80 -18.612 -5.323 9.536 1.00 1.14 C ATOM 1211 CG ASP A 80 -18.724 -3.816 9.299 1.00 54.33 C ATOM 1212 OD1 ASP A 80 -19.402 -3.366 8.363 1.00 43.44 O ATOM 1213 OD2 ASP A 80 -18.071 -3.082 10.135 1.00 51.34 O ATOM 0 H ASP A 80 -18.086 -5.670 7.120 1.00 15.14 H new ATOM 0 HA ASP A 80 -16.462 -5.414 9.459 1.00 13.43 H new ATOM 0 HB2 ASP A 80 -19.449 -5.816 9.042 1.00 1.14 H new ATOM 0 HB3 ASP A 80 -18.713 -5.516 10.604 1.00 1.14 H new ATOM 1219 N ALA A 81 -17.721 -8.291 8.593 1.00 62.15 N ATOM 1220 CA ALA A 81 -17.764 -9.714 8.885 1.00 42.14 C ATOM 1221 C ALA A 81 -16.410 -10.341 8.545 1.00 51.11 C ATOM 1222 O ALA A 81 -15.776 -10.958 9.399 1.00 2.34 O ATOM 1223 CB ALA A 81 -18.916 -10.359 8.112 1.00 63.32 C ATOM 0 H ALA A 81 -18.036 -8.038 7.657 1.00 62.15 H new ATOM 0 HA ALA A 81 -17.948 -9.883 9.946 1.00 42.14 H new ATOM 0 HB1 ALA A 81 -18.948 -11.426 8.331 1.00 63.32 H new ATOM 0 HB2 ALA A 81 -19.858 -9.898 8.411 1.00 63.32 H new ATOM 0 HB3 ALA A 81 -18.764 -10.212 7.043 1.00 63.32 H new ATOM 1229 N GLU A 82 -16.008 -10.161 7.295 1.00 24.35 N ATOM 1230 CA GLU A 82 -14.741 -10.702 6.832 1.00 1.23 C ATOM 1231 C GLU A 82 -13.646 -10.454 7.872 1.00 50.21 C ATOM 1232 O GLU A 82 -12.910 -11.370 8.235 1.00 74.44 O ATOM 1233 CB GLU A 82 -14.354 -10.108 5.476 1.00 12.45 C ATOM 1234 CG GLU A 82 -15.217 -10.691 4.356 1.00 61.52 C ATOM 1235 CD GLU A 82 -14.899 -10.025 3.016 1.00 54.03 C ATOM 1236 OE1 GLU A 82 -15.112 -10.632 1.956 1.00 71.14 O ATOM 1237 OE2 GLU A 82 -14.416 -8.832 3.101 1.00 23.10 O ATOM 0 H GLU A 82 -16.537 -9.649 6.589 1.00 24.35 H new ATOM 0 HA GLU A 82 -14.854 -11.778 6.701 1.00 1.23 H new ATOM 0 HB2 GLU A 82 -14.470 -9.025 5.503 1.00 12.45 H new ATOM 0 HB3 GLU A 82 -13.302 -10.311 5.273 1.00 12.45 H new ATOM 0 HG2 GLU A 82 -15.046 -11.765 4.282 1.00 61.52 H new ATOM 0 HG3 GLU A 82 -16.271 -10.552 4.594 1.00 61.52 H new ATOM 1245 N THR A 83 -13.573 -9.210 8.322 1.00 3.20 N ATOM 1246 CA THR A 83 -12.580 -8.830 9.313 1.00 50.23 C ATOM 1247 C THR A 83 -12.775 -9.635 10.599 1.00 41.01 C ATOM 1248 O THR A 83 -11.806 -9.969 11.279 1.00 30.21 O ATOM 1249 CB THR A 83 -12.676 -7.317 9.522 1.00 32.32 C ATOM 1250 OG1 THR A 83 -12.423 -6.771 8.231 1.00 64.12 O ATOM 1251 CG2 THR A 83 -11.538 -6.772 10.387 1.00 21.43 C ATOM 0 H THR A 83 -14.185 -8.452 8.019 1.00 3.20 H new ATOM 0 HA THR A 83 -11.571 -9.062 8.972 1.00 50.23 H new ATOM 0 HB THR A 83 -13.632 -7.075 9.986 1.00 32.32 H new ATOM 0 HG1 THR A 83 -13.271 -6.510 7.815 1.00 64.12 H new ATOM 0 HG21 THR A 83 -11.654 -5.694 10.504 1.00 21.43 H new ATOM 0 HG22 THR A 83 -11.566 -7.248 11.367 1.00 21.43 H new ATOM 0 HG23 THR A 83 -10.583 -6.984 9.907 1.00 21.43 H new ATOM 1259 N LYS A 84 -14.034 -9.923 10.894 1.00 60.23 N ATOM 1260 CA LYS A 84 -14.368 -10.683 12.086 1.00 14.03 C ATOM 1261 C LYS A 84 -13.853 -12.116 11.934 1.00 0.53 C ATOM 1262 O LYS A 84 -13.315 -12.689 12.880 1.00 20.11 O ATOM 1263 CB LYS A 84 -15.869 -10.596 12.374 1.00 63.44 C ATOM 1264 CG LYS A 84 -16.177 -9.448 13.337 1.00 31.40 C ATOM 1265 CD LYS A 84 -17.588 -9.581 13.913 1.00 11.55 C ATOM 1266 CE LYS A 84 -17.908 -8.415 14.852 1.00 73.32 C ATOM 1267 NZ LYS A 84 -19.169 -8.670 15.583 1.00 33.54 N ATOM 0 H LYS A 84 -14.835 -9.644 10.328 1.00 60.23 H new ATOM 0 HA LYS A 84 -13.874 -10.258 12.959 1.00 14.03 H new ATOM 0 HB2 LYS A 84 -16.414 -10.449 11.441 1.00 63.44 H new ATOM 0 HB3 LYS A 84 -16.216 -11.537 12.801 1.00 63.44 H new ATOM 0 HG2 LYS A 84 -15.448 -9.443 14.148 1.00 31.40 H new ATOM 0 HG3 LYS A 84 -16.081 -8.495 12.816 1.00 31.40 H new ATOM 0 HD2 LYS A 84 -18.315 -9.609 13.101 1.00 11.55 H new ATOM 0 HD3 LYS A 84 -17.677 -10.523 14.454 1.00 11.55 H new ATOM 0 HE2 LYS A 84 -17.092 -8.276 15.561 1.00 73.32 H new ATOM 0 HE3 LYS A 84 -17.993 -7.492 14.279 1.00 73.32 H new ATOM 0 HZ1 LYS A 84 -19.372 -7.870 16.215 1.00 33.54 H new ATOM 0 HZ2 LYS A 84 -19.948 -8.780 14.903 1.00 33.54 H new ATOM 0 HZ3 LYS A 84 -19.075 -9.540 16.145 1.00 33.54 H new ATOM 1280 N ALA A 85 -14.036 -12.652 10.737 1.00 63.22 N ATOM 1281 CA ALA A 85 -13.596 -14.007 10.449 1.00 41.22 C ATOM 1282 C ALA A 85 -12.069 -14.069 10.522 1.00 20.24 C ATOM 1283 O ALA A 85 -11.511 -14.950 11.174 1.00 21.43 O ATOM 1284 CB ALA A 85 -14.132 -14.438 9.082 1.00 1.01 C ATOM 0 H ALA A 85 -14.483 -12.173 9.955 1.00 63.22 H new ATOM 0 HA ALA A 85 -13.990 -14.704 11.189 1.00 41.22 H new ATOM 0 HB1 ALA A 85 -13.802 -15.454 8.866 1.00 1.01 H new ATOM 0 HB2 ALA A 85 -15.221 -14.404 9.091 1.00 1.01 H new ATOM 0 HB3 ALA A 85 -13.755 -13.763 8.314 1.00 1.01 H new ATOM 1290 N PHE A 86 -11.437 -13.122 9.845 1.00 64.42 N ATOM 1291 CA PHE A 86 -9.985 -13.059 9.825 1.00 11.42 C ATOM 1292 C PHE A 86 -9.436 -12.651 11.194 1.00 64.12 C ATOM 1293 O PHE A 86 -8.237 -12.767 11.445 1.00 31.01 O ATOM 1294 CB PHE A 86 -9.598 -11.995 8.796 1.00 11.21 C ATOM 1295 CG PHE A 86 -8.111 -11.990 8.435 1.00 73.53 C ATOM 1296 CD1 PHE A 86 -7.442 -13.166 8.293 1.00 35.22 C ATOM 1297 CD2 PHE A 86 -7.459 -10.811 8.255 1.00 44.00 C ATOM 1298 CE1 PHE A 86 -6.063 -13.162 7.958 1.00 63.21 C ATOM 1299 CE2 PHE A 86 -6.079 -10.807 7.920 1.00 63.04 C ATOM 1300 CZ PHE A 86 -5.410 -11.983 7.778 1.00 1.22 C ATOM 0 H PHE A 86 -11.903 -12.392 9.306 1.00 64.42 H new ATOM 0 HA PHE A 86 -9.573 -14.036 9.574 1.00 11.42 H new ATOM 0 HB2 PHE A 86 -10.181 -12.153 7.889 1.00 11.21 H new ATOM 0 HB3 PHE A 86 -9.871 -11.013 9.184 1.00 11.21 H new ATOM 0 HD1 PHE A 86 -7.960 -14.103 8.435 1.00 35.22 H new ATOM 0 HD2 PHE A 86 -7.990 -9.877 8.367 1.00 44.00 H new ATOM 0 HE1 PHE A 86 -5.532 -14.096 7.846 1.00 63.21 H new ATOM 0 HE2 PHE A 86 -5.561 -9.870 7.778 1.00 63.04 H new ATOM 0 HZ PHE A 86 -4.361 -11.980 7.522 1.00 1.22 H new ATOM 1310 N LEU A 87 -10.338 -12.182 12.043 1.00 74.24 N ATOM 1311 CA LEU A 87 -9.959 -11.757 13.379 1.00 11.13 C ATOM 1312 C LEU A 87 -9.894 -12.978 14.299 1.00 44.20 C ATOM 1313 O LEU A 87 -8.848 -13.268 14.878 1.00 0.22 O ATOM 1314 CB LEU A 87 -10.901 -10.660 13.880 1.00 42.32 C ATOM 1315 CG LEU A 87 -10.819 -10.335 15.373 1.00 44.13 C ATOM 1316 CD1 LEU A 87 -9.482 -9.674 15.717 1.00 35.23 C ATOM 1317 CD2 LEU A 87 -12.010 -9.483 15.815 1.00 72.11 C ATOM 0 H LEU A 87 -11.331 -12.087 11.831 1.00 74.24 H new ATOM 0 HA LEU A 87 -8.964 -11.311 13.369 1.00 11.13 H new ATOM 0 HB2 LEU A 87 -10.696 -9.749 13.318 1.00 42.32 H new ATOM 0 HB3 LEU A 87 -11.925 -10.954 13.648 1.00 42.32 H new ATOM 0 HG LEU A 87 -10.869 -11.271 15.930 1.00 44.13 H new ATOM 0 HD11 LEU A 87 -9.449 -9.453 16.784 1.00 35.23 H new ATOM 0 HD12 LEU A 87 -8.666 -10.349 15.461 1.00 35.23 H new ATOM 0 HD13 LEU A 87 -9.378 -8.748 15.151 1.00 35.23 H new ATOM 0 HD21 LEU A 87 -11.927 -9.266 16.880 1.00 72.11 H new ATOM 0 HD22 LEU A 87 -12.017 -8.548 15.254 1.00 72.11 H new ATOM 0 HD23 LEU A 87 -12.936 -10.026 15.626 1.00 72.11 H new ATOM 1329 N LYS A 88 -11.024 -13.661 14.404 1.00 11.34 N ATOM 1330 CA LYS A 88 -11.108 -14.844 15.244 1.00 54.32 C ATOM 1331 C LYS A 88 -10.257 -15.959 14.633 1.00 11.21 C ATOM 1332 O LYS A 88 -9.713 -16.795 15.353 1.00 12.41 O ATOM 1333 CB LYS A 88 -12.569 -15.238 15.469 1.00 74.34 C ATOM 1334 CG LYS A 88 -13.153 -14.513 16.683 1.00 41.54 C ATOM 1335 CD LYS A 88 -14.668 -14.350 16.548 1.00 12.20 C ATOM 1336 CE LYS A 88 -15.358 -15.711 16.432 1.00 45.25 C ATOM 1337 NZ LYS A 88 -15.125 -16.516 17.652 1.00 41.34 N ATOM 0 H LYS A 88 -11.889 -13.418 13.921 1.00 11.34 H new ATOM 0 HA LYS A 88 -10.701 -14.638 16.234 1.00 54.32 H new ATOM 0 HB2 LYS A 88 -13.155 -14.998 14.582 1.00 74.34 H new ATOM 0 HB3 LYS A 88 -12.640 -16.316 15.616 1.00 74.34 H new ATOM 0 HG2 LYS A 88 -12.923 -15.072 17.590 1.00 41.54 H new ATOM 0 HG3 LYS A 88 -12.686 -13.533 16.785 1.00 41.54 H new ATOM 0 HD2 LYS A 88 -15.058 -13.813 17.413 1.00 12.20 H new ATOM 0 HD3 LYS A 88 -14.896 -13.747 15.669 1.00 12.20 H new ATOM 0 HE2 LYS A 88 -16.428 -15.571 16.281 1.00 45.25 H new ATOM 0 HE3 LYS A 88 -14.980 -16.244 15.560 1.00 45.25 H new ATOM 0 HZ1 LYS A 88 -15.780 -17.323 17.666 1.00 41.34 H new ATOM 0 HZ2 LYS A 88 -14.145 -16.865 17.656 1.00 41.34 H new ATOM 0 HZ3 LYS A 88 -15.285 -15.926 18.493 1.00 41.34 H new ATOM 1350 N ALA A 89 -10.168 -15.935 13.311 1.00 34.33 N ATOM 1351 CA ALA A 89 -9.393 -16.934 12.596 1.00 44.25 C ATOM 1352 C ALA A 89 -8.015 -17.067 13.247 1.00 2.54 C ATOM 1353 O ALA A 89 -7.686 -18.112 13.805 1.00 32.42 O ATOM 1354 CB ALA A 89 -9.304 -16.548 11.118 1.00 64.34 C ATOM 0 H ALA A 89 -10.620 -15.240 12.717 1.00 34.33 H new ATOM 0 HA ALA A 89 -9.879 -17.908 12.651 1.00 44.25 H new ATOM 0 HB1 ALA A 89 -8.723 -17.297 10.581 1.00 64.34 H new ATOM 0 HB2 ALA A 89 -10.307 -16.495 10.695 1.00 64.34 H new ATOM 0 HB3 ALA A 89 -8.819 -15.576 11.024 1.00 64.34 H new ATOM 1360 N GLY A 90 -7.246 -15.991 13.155 1.00 21.54 N ATOM 1361 CA GLY A 90 -5.911 -15.975 13.729 1.00 11.33 C ATOM 1362 C GLY A 90 -5.967 -15.740 15.240 1.00 23.22 C ATOM 1363 O GLY A 90 -5.350 -16.476 16.009 1.00 33.03 O ATOM 0 H GLY A 90 -7.522 -15.125 12.692 1.00 21.54 H new ATOM 0 HA2 GLY A 90 -5.411 -16.921 13.523 1.00 11.33 H new ATOM 0 HA3 GLY A 90 -5.318 -15.192 13.257 1.00 11.33 H new ATOM 1367 N ASP A 91 -6.711 -14.712 15.620 1.00 33.33 N ATOM 1368 CA ASP A 91 -6.855 -14.372 17.025 1.00 15.44 C ATOM 1369 C ASP A 91 -7.686 -15.450 17.725 1.00 41.15 C ATOM 1370 O ASP A 91 -8.864 -15.627 17.419 1.00 51.34 O ATOM 1371 CB ASP A 91 -7.578 -13.034 17.197 1.00 44.35 C ATOM 1372 CG ASP A 91 -7.161 -12.227 18.428 1.00 33.12 C ATOM 1373 OD1 ASP A 91 -5.996 -12.263 18.852 1.00 74.44 O ATOM 1374 OD2 ASP A 91 -8.103 -11.529 18.967 1.00 73.42 O ATOM 0 H ASP A 91 -7.221 -14.103 14.979 1.00 33.33 H new ATOM 0 HA ASP A 91 -5.857 -14.302 17.458 1.00 15.44 H new ATOM 0 HB2 ASP A 91 -7.405 -12.428 16.308 1.00 44.35 H new ATOM 0 HB3 ASP A 91 -8.650 -13.222 17.251 1.00 44.35 H new ATOM 1380 N SER A 92 -7.039 -16.143 18.650 1.00 2.42 N ATOM 1381 CA SER A 92 -7.703 -17.199 19.395 1.00 2.32 C ATOM 1382 C SER A 92 -8.119 -16.684 20.775 1.00 40.14 C ATOM 1383 O SER A 92 -8.879 -17.278 21.514 1.00 62.13 O ATOM 1384 CB SER A 92 -6.799 -18.425 19.537 1.00 42.22 C ATOM 1385 OG SER A 92 -7.524 -19.577 19.956 1.00 34.43 O ATOM 0 H SER A 92 -6.062 -15.994 18.901 1.00 2.42 H new ATOM 0 HA SER A 92 -8.593 -17.499 18.842 1.00 2.32 H new ATOM 0 HB2 SER A 92 -6.313 -18.630 18.583 1.00 42.22 H new ATOM 0 HB3 SER A 92 -6.009 -18.212 20.258 1.00 42.22 H new ATOM 0 HG SER A 92 -6.912 -20.338 20.033 1.00 34.43 H new ATOM 1391 N ASP A 93 -7.595 -15.539 21.117 1.00 61.50 N ATOM 1392 CA ASP A 93 -7.927 -14.928 22.435 1.00 61.42 C ATOM 1393 C ASP A 93 -8.983 -13.833 22.253 1.00 44.10 C ATOM 1394 O ASP A 93 -9.515 -13.374 23.262 1.00 13.41 O ATOM 1395 CB ASP A 93 -6.612 -14.329 22.936 1.00 72.43 C ATOM 1396 CG ASP A 93 -6.293 -13.061 22.143 1.00 61.12 C ATOM 1397 OD1 ASP A 93 -5.545 -12.240 22.650 1.00 35.42 O ATOM 1398 OD2 ASP A 93 -6.802 -12.929 21.042 1.00 62.14 O ATOM 0 H ASP A 93 -6.950 -14.999 20.540 1.00 61.50 H new ATOM 0 HA ASP A 93 -8.337 -15.653 23.138 1.00 61.42 H new ATOM 0 HB2 ASP A 93 -6.687 -14.097 23.998 1.00 72.43 H new ATOM 0 HB3 ASP A 93 -5.805 -15.053 22.825 1.00 72.43 H new ATOM 1403 N GLY A 94 -9.255 -13.442 21.017 1.00 71.34 N ATOM 1404 CA GLY A 94 -10.240 -12.405 20.759 1.00 23.13 C ATOM 1405 C GLY A 94 -10.076 -11.239 21.737 1.00 75.51 C ATOM 1406 O GLY A 94 -10.924 -11.027 22.602 1.00 34.13 O ATOM 0 H GLY A 94 -8.810 -13.825 20.183 1.00 71.34 H new ATOM 0 HA2 GLY A 94 -10.134 -12.044 19.736 1.00 23.13 H new ATOM 0 HA3 GLY A 94 -11.244 -12.821 20.848 1.00 23.13 H new ATOM 1410 N ASP A 95 -8.981 -10.515 21.566 1.00 4.31 N ATOM 1411 CA ASP A 95 -8.695 -9.376 22.423 1.00 74.05 C ATOM 1412 C ASP A 95 -8.882 -8.084 21.625 1.00 51.13 C ATOM 1413 O ASP A 95 -9.083 -7.017 22.203 1.00 53.14 O ATOM 1414 CB ASP A 95 -7.252 -9.415 22.928 1.00 20.11 C ATOM 1415 CG ASP A 95 -6.183 -9.404 21.834 1.00 41.33 C ATOM 1416 OD1 ASP A 95 -6.066 -10.354 21.045 1.00 2.34 O ATOM 1417 OD2 ASP A 95 -5.440 -8.349 21.808 1.00 21.53 O ATOM 0 H ASP A 95 -8.280 -10.694 20.847 1.00 4.31 H new ATOM 0 HA ASP A 95 -9.375 -9.415 23.274 1.00 74.05 H new ATOM 0 HB2 ASP A 95 -7.089 -8.559 23.583 1.00 20.11 H new ATOM 0 HB3 ASP A 95 -7.120 -10.310 23.535 1.00 20.11 H new ATOM 1423 N GLY A 96 -8.809 -8.223 20.309 1.00 3.41 N ATOM 1424 CA GLY A 96 -8.967 -7.080 19.426 1.00 11.41 C ATOM 1425 C GLY A 96 -7.692 -6.831 18.617 1.00 13.33 C ATOM 1426 O GLY A 96 -7.608 -5.858 17.869 1.00 61.44 O ATOM 0 H GLY A 96 -8.643 -9.110 19.833 1.00 3.41 H new ATOM 0 HA2 GLY A 96 -9.804 -7.252 18.749 1.00 11.41 H new ATOM 0 HA3 GLY A 96 -9.209 -6.194 20.013 1.00 11.41 H new ATOM 1430 N LYS A 97 -6.732 -7.726 18.796 1.00 72.02 N ATOM 1431 CA LYS A 97 -5.466 -7.616 18.092 1.00 2.30 C ATOM 1432 C LYS A 97 -4.946 -9.017 17.763 1.00 12.24 C ATOM 1433 O LYS A 97 -5.246 -9.976 18.473 1.00 43.02 O ATOM 1434 CB LYS A 97 -4.479 -6.766 18.895 1.00 23.42 C ATOM 1435 CG LYS A 97 -5.208 -5.679 19.687 1.00 74.14 C ATOM 1436 CD LYS A 97 -4.242 -4.926 20.603 1.00 42.33 C ATOM 1437 CE LYS A 97 -3.922 -5.745 21.855 1.00 62.04 C ATOM 1438 NZ LYS A 97 -2.739 -5.189 22.550 1.00 53.04 N ATOM 0 H LYS A 97 -6.805 -8.531 19.418 1.00 72.02 H new ATOM 0 HA LYS A 97 -5.601 -7.096 17.144 1.00 2.30 H new ATOM 0 HB2 LYS A 97 -3.917 -7.403 19.578 1.00 23.42 H new ATOM 0 HB3 LYS A 97 -3.757 -6.307 18.220 1.00 23.42 H new ATOM 0 HG2 LYS A 97 -5.682 -4.979 18.999 1.00 74.14 H new ATOM 0 HG3 LYS A 97 -6.003 -6.129 20.282 1.00 74.14 H new ATOM 0 HD2 LYS A 97 -3.321 -4.705 20.063 1.00 42.33 H new ATOM 0 HD3 LYS A 97 -4.679 -3.970 20.891 1.00 42.33 H new ATOM 0 HE2 LYS A 97 -4.780 -5.743 22.527 1.00 62.04 H new ATOM 0 HE3 LYS A 97 -3.735 -6.783 21.580 1.00 62.04 H new ATOM 0 HZ1 LYS A 97 -1.937 -5.844 22.449 1.00 53.04 H new ATOM 0 HZ2 LYS A 97 -2.490 -4.270 22.131 1.00 53.04 H new ATOM 0 HZ3 LYS A 97 -2.957 -5.062 23.559 1.00 53.04 H new ATOM 1451 N ILE A 98 -4.176 -9.090 16.688 1.00 75.54 N ATOM 1452 CA ILE A 98 -3.612 -10.358 16.256 1.00 34.23 C ATOM 1453 C ILE A 98 -2.085 -10.261 16.265 1.00 35.41 C ATOM 1454 O ILE A 98 -1.509 -9.431 15.564 1.00 25.24 O ATOM 1455 CB ILE A 98 -4.195 -10.771 14.903 1.00 23.10 C ATOM 1456 CG1 ILE A 98 -5.515 -11.524 15.081 1.00 64.31 C ATOM 1457 CG2 ILE A 98 -3.179 -11.578 14.092 1.00 23.33 C ATOM 1458 CD1 ILE A 98 -5.844 -12.354 13.839 1.00 62.45 C ATOM 0 H ILE A 98 -3.929 -8.292 16.103 1.00 75.54 H new ATOM 0 HA ILE A 98 -3.885 -11.153 16.950 1.00 34.23 H new ATOM 0 HB ILE A 98 -4.415 -9.867 14.335 1.00 23.10 H new ATOM 0 HG12 ILE A 98 -5.451 -12.176 15.952 1.00 64.31 H new ATOM 0 HG13 ILE A 98 -6.320 -10.814 15.272 1.00 64.31 H new ATOM 0 HG21 ILE A 98 -3.618 -11.859 13.135 1.00 23.33 H new ATOM 0 HG22 ILE A 98 -2.289 -10.973 13.919 1.00 23.33 H new ATOM 0 HG23 ILE A 98 -2.905 -12.477 14.644 1.00 23.33 H new ATOM 0 HD11 ILE A 98 -6.787 -12.879 13.992 1.00 62.45 H new ATOM 0 HD12 ILE A 98 -5.931 -11.696 12.974 1.00 62.45 H new ATOM 0 HD13 ILE A 98 -5.049 -13.079 13.665 1.00 62.45 H new ATOM 1470 N GLY A 99 -1.474 -11.122 17.066 1.00 14.32 N ATOM 1471 CA GLY A 99 -0.026 -11.144 17.175 1.00 3.45 C ATOM 1472 C GLY A 99 0.601 -11.908 16.007 1.00 12.14 C ATOM 1473 O GLY A 99 -0.099 -12.320 15.084 1.00 73.30 O ATOM 0 H GLY A 99 -1.956 -11.809 17.645 1.00 14.32 H new ATOM 0 HA2 GLY A 99 0.356 -10.123 17.193 1.00 3.45 H new ATOM 0 HA3 GLY A 99 0.264 -11.610 18.117 1.00 3.45 H new ATOM 1477 N ILE A 100 1.913 -12.074 16.086 1.00 11.32 N ATOM 1478 CA ILE A 100 2.642 -12.781 15.047 1.00 34.20 C ATOM 1479 C ILE A 100 2.439 -14.287 15.224 1.00 65.43 C ATOM 1480 O ILE A 100 2.338 -15.023 14.243 1.00 12.10 O ATOM 1481 CB ILE A 100 4.111 -12.355 15.038 1.00 40.31 C ATOM 1482 CG1 ILE A 100 4.645 -12.260 13.607 1.00 4.54 C ATOM 1483 CG2 ILE A 100 4.958 -13.288 15.905 1.00 1.04 C ATOM 1484 CD1 ILE A 100 4.372 -13.550 12.833 1.00 61.50 C ATOM 0 H ILE A 100 2.490 -11.731 16.854 1.00 11.32 H new ATOM 0 HA ILE A 100 2.253 -12.519 14.063 1.00 34.20 H new ATOM 0 HB ILE A 100 4.181 -11.359 15.475 1.00 40.31 H new ATOM 0 HG12 ILE A 100 4.177 -11.419 13.096 1.00 4.54 H new ATOM 0 HG13 ILE A 100 5.717 -12.064 13.627 1.00 4.54 H new ATOM 0 HG21 ILE A 100 5.998 -12.963 15.881 1.00 1.04 H new ATOM 0 HG22 ILE A 100 4.593 -13.262 16.932 1.00 1.04 H new ATOM 0 HG23 ILE A 100 4.887 -14.306 15.521 1.00 1.04 H new ATOM 0 HD11 ILE A 100 4.762 -13.456 11.819 1.00 61.50 H new ATOM 0 HD12 ILE A 100 4.862 -14.385 13.334 1.00 61.50 H new ATOM 0 HD13 ILE A 100 3.298 -13.730 12.793 1.00 61.50 H new ATOM 1496 N ASP A 101 2.387 -14.702 16.481 1.00 2.31 N ATOM 1497 CA ASP A 101 2.199 -16.107 16.799 1.00 61.02 C ATOM 1498 C ASP A 101 0.764 -16.514 16.459 1.00 30.52 C ATOM 1499 O ASP A 101 0.455 -17.702 16.379 1.00 74.32 O ATOM 1500 CB ASP A 101 2.425 -16.370 18.289 1.00 40.21 C ATOM 1501 CG ASP A 101 3.394 -15.405 18.976 1.00 32.31 C ATOM 1502 OD1 ASP A 101 2.991 -14.586 19.815 1.00 43.51 O ATOM 1503 OD2 ASP A 101 4.626 -15.520 18.614 1.00 65.43 O ATOM 0 H ASP A 101 2.472 -14.089 17.292 1.00 2.31 H new ATOM 0 HA ASP A 101 2.919 -16.684 16.218 1.00 61.02 H new ATOM 0 HB2 ASP A 101 1.464 -16.322 18.801 1.00 40.21 H new ATOM 0 HB3 ASP A 101 2.800 -17.386 18.410 1.00 40.21 H new ATOM 1509 N GLU A 102 -0.074 -15.506 16.269 1.00 72.21 N ATOM 1510 CA GLU A 102 -1.469 -15.745 15.940 1.00 53.42 C ATOM 1511 C GLU A 102 -1.706 -15.530 14.443 1.00 22.24 C ATOM 1512 O GLU A 102 -2.503 -16.238 13.830 1.00 42.03 O ATOM 1513 CB GLU A 102 -2.390 -14.851 16.774 1.00 62.42 C ATOM 1514 CG GLU A 102 -2.671 -15.478 18.141 1.00 63.30 C ATOM 1515 CD GLU A 102 -2.932 -14.401 19.195 1.00 1.41 C ATOM 1516 OE1 GLU A 102 -4.114 -14.252 19.574 1.00 42.01 O ATOM 1517 OE2 GLU A 102 -1.944 -13.750 19.598 1.00 3.33 O ATOM 0 H GLU A 102 0.186 -14.522 16.337 1.00 72.21 H new ATOM 0 HA GLU A 102 -1.706 -16.781 16.181 1.00 53.42 H new ATOM 0 HB2 GLU A 102 -1.930 -13.872 16.907 1.00 62.42 H new ATOM 0 HB3 GLU A 102 -3.328 -14.693 16.242 1.00 62.42 H new ATOM 0 HG2 GLU A 102 -3.534 -16.140 18.071 1.00 63.30 H new ATOM 0 HG3 GLU A 102 -1.823 -16.091 18.445 1.00 63.30 H new ATOM 1524 N PHE A 103 -0.999 -14.551 13.899 1.00 3.35 N ATOM 1525 CA PHE A 103 -1.122 -14.234 12.487 1.00 63.23 C ATOM 1526 C PHE A 103 -0.301 -15.204 11.634 1.00 73.20 C ATOM 1527 O PHE A 103 -0.610 -15.420 10.463 1.00 23.40 O ATOM 1528 CB PHE A 103 -0.574 -12.818 12.296 1.00 33.22 C ATOM 1529 CG PHE A 103 -0.159 -12.500 10.859 1.00 44.15 C ATOM 1530 CD1 PHE A 103 -1.103 -12.185 9.932 1.00 44.34 C ATOM 1531 CD2 PHE A 103 1.155 -12.532 10.508 1.00 71.35 C ATOM 1532 CE1 PHE A 103 -0.717 -11.889 8.597 1.00 22.44 C ATOM 1533 CE2 PHE A 103 1.541 -12.237 9.173 1.00 32.12 C ATOM 1534 CZ PHE A 103 0.597 -11.922 8.246 1.00 13.23 C ATOM 0 H PHE A 103 -0.338 -13.966 14.411 1.00 3.35 H new ATOM 0 HA PHE A 103 -2.164 -14.312 12.178 1.00 63.23 H new ATOM 0 HB2 PHE A 103 -1.332 -12.101 12.612 1.00 33.22 H new ATOM 0 HB3 PHE A 103 0.287 -12.681 12.951 1.00 33.22 H new ATOM 0 HD1 PHE A 103 -2.146 -12.160 10.211 1.00 44.34 H new ATOM 0 HD2 PHE A 103 1.905 -12.782 11.244 1.00 71.35 H new ATOM 0 HE1 PHE A 103 -1.467 -11.638 7.861 1.00 22.44 H new ATOM 0 HE2 PHE A 103 2.584 -12.263 8.894 1.00 32.12 H new ATOM 0 HZ PHE A 103 0.891 -11.698 7.231 1.00 13.23 H new ATOM 1544 N ALA A 104 0.727 -15.763 12.254 1.00 4.25 N ATOM 1545 CA ALA A 104 1.594 -16.705 11.567 1.00 4.21 C ATOM 1546 C ALA A 104 1.022 -18.116 11.710 1.00 32.33 C ATOM 1547 O ALA A 104 1.464 -19.041 11.031 1.00 61.41 O ATOM 1548 CB ALA A 104 3.015 -16.592 12.125 1.00 74.31 C ATOM 0 H ALA A 104 0.979 -15.582 13.225 1.00 4.25 H new ATOM 0 HA ALA A 104 1.643 -16.476 10.503 1.00 4.21 H new ATOM 0 HB1 ALA A 104 3.666 -17.299 11.610 1.00 74.31 H new ATOM 0 HB2 ALA A 104 3.386 -15.579 11.972 1.00 74.31 H new ATOM 0 HB3 ALA A 104 3.006 -16.818 13.191 1.00 74.31 H new ATOM 1554 N ALA A 105 0.046 -18.237 12.599 1.00 63.43 N ATOM 1555 CA ALA A 105 -0.591 -19.521 12.840 1.00 54.42 C ATOM 1556 C ALA A 105 -1.612 -19.794 11.733 1.00 11.22 C ATOM 1557 O ALA A 105 -1.568 -20.840 11.088 1.00 72.11 O ATOM 1558 CB ALA A 105 -1.226 -19.522 14.232 1.00 53.22 C ATOM 0 H ALA A 105 -0.319 -17.468 13.161 1.00 63.43 H new ATOM 0 HA ALA A 105 0.144 -20.325 12.816 1.00 54.42 H new ATOM 0 HB1 ALA A 105 -1.704 -20.485 14.413 1.00 53.22 H new ATOM 0 HB2 ALA A 105 -0.455 -19.352 14.984 1.00 53.22 H new ATOM 0 HB3 ALA A 105 -1.972 -18.730 14.292 1.00 53.22 H new ATOM 1564 N MET A 106 -2.507 -18.835 11.548 1.00 51.33 N ATOM 1565 CA MET A 106 -3.537 -18.959 10.530 1.00 11.33 C ATOM 1566 C MET A 106 -2.933 -19.371 9.186 1.00 13.12 C ATOM 1567 O MET A 106 -3.636 -19.886 8.318 1.00 61.21 O ATOM 1568 CB MET A 106 -4.265 -17.622 10.375 1.00 42.02 C ATOM 1569 CG MET A 106 -3.274 -16.486 10.114 1.00 52.53 C ATOM 1570 SD MET A 106 -4.029 -14.916 10.504 1.00 51.22 S ATOM 1571 CE MET A 106 -5.713 -15.252 10.015 1.00 2.22 C ATOM 0 H MET A 106 -2.541 -17.969 12.086 1.00 51.33 H new ATOM 0 HA MET A 106 -4.240 -19.731 10.843 1.00 11.33 H new ATOM 0 HB2 MET A 106 -4.977 -17.685 9.552 1.00 42.02 H new ATOM 0 HB3 MET A 106 -4.838 -17.409 11.277 1.00 42.02 H new ATOM 0 HG2 MET A 106 -2.378 -16.628 10.718 1.00 52.53 H new ATOM 0 HG3 MET A 106 -2.960 -16.499 9.070 1.00 52.53 H new ATOM 0 HE1 MET A 106 -6.307 -14.343 10.109 1.00 2.22 H new ATOM 0 HE2 MET A 106 -5.730 -15.591 8.979 1.00 2.22 H new ATOM 0 HE3 MET A 106 -6.131 -16.027 10.658 1.00 2.22 H new ATOM 1581 N ILE A 107 -1.637 -19.129 9.057 1.00 52.53 N ATOM 1582 CA ILE A 107 -0.931 -19.468 7.833 1.00 21.11 C ATOM 1583 C ILE A 107 -0.072 -20.711 8.073 1.00 32.42 C ATOM 1584 O ILE A 107 0.021 -21.582 7.209 1.00 20.14 O ATOM 1585 CB ILE A 107 -0.139 -18.264 7.320 1.00 52.34 C ATOM 1586 CG1 ILE A 107 0.364 -17.403 8.480 1.00 14.23 C ATOM 1587 CG2 ILE A 107 -0.964 -17.452 6.319 1.00 40.31 C ATOM 1588 CD1 ILE A 107 1.199 -16.227 7.969 1.00 21.43 C ATOM 0 H ILE A 107 -1.057 -18.702 9.780 1.00 52.53 H new ATOM 0 HA ILE A 107 -1.638 -19.716 7.042 1.00 21.11 H new ATOM 0 HB ILE A 107 0.739 -18.633 6.790 1.00 52.34 H new ATOM 0 HG12 ILE A 107 -0.484 -17.029 9.054 1.00 14.23 H new ATOM 0 HG13 ILE A 107 0.963 -18.012 9.156 1.00 14.23 H new ATOM 0 HG21 ILE A 107 -0.378 -16.602 5.970 1.00 40.31 H new ATOM 0 HG22 ILE A 107 -1.230 -18.083 5.471 1.00 40.31 H new ATOM 0 HG23 ILE A 107 -1.872 -17.093 6.803 1.00 40.31 H new ATOM 0 HD11 ILE A 107 1.544 -15.631 8.814 1.00 21.43 H new ATOM 0 HD12 ILE A 107 2.059 -16.605 7.416 1.00 21.43 H new ATOM 0 HD13 ILE A 107 0.590 -15.606 7.312 1.00 21.43 H new ATOM 1600 N LYS A 108 0.533 -20.755 9.251 1.00 43.21 N ATOM 1601 CA LYS A 108 1.381 -21.877 9.616 1.00 62.04 C ATOM 1602 C LYS A 108 0.522 -23.135 9.759 1.00 54.35 C ATOM 1603 O LYS A 108 1.045 -24.246 9.809 1.00 25.41 O ATOM 1604 CB LYS A 108 2.200 -21.546 10.865 1.00 33.22 C ATOM 1605 CG LYS A 108 2.943 -22.782 11.377 1.00 40.13 C ATOM 1606 CD LYS A 108 4.254 -22.389 12.060 1.00 22.04 C ATOM 1607 CE LYS A 108 5.092 -23.626 12.390 1.00 4.34 C ATOM 1608 NZ LYS A 108 6.003 -23.949 11.269 1.00 2.35 N ATOM 0 H LYS A 108 0.453 -20.031 9.965 1.00 43.21 H new ATOM 0 HA LYS A 108 2.109 -22.076 8.829 1.00 62.04 H new ATOM 0 HB2 LYS A 108 2.915 -20.756 10.636 1.00 33.22 H new ATOM 0 HB3 LYS A 108 1.542 -21.164 11.645 1.00 33.22 H new ATOM 0 HG2 LYS A 108 2.311 -23.325 12.080 1.00 40.13 H new ATOM 0 HG3 LYS A 108 3.149 -23.457 10.546 1.00 40.13 H new ATOM 0 HD2 LYS A 108 4.822 -21.723 11.410 1.00 22.04 H new ATOM 0 HD3 LYS A 108 4.040 -21.835 12.974 1.00 22.04 H new ATOM 0 HE2 LYS A 108 5.670 -23.449 13.297 1.00 4.34 H new ATOM 0 HE3 LYS A 108 4.437 -24.474 12.590 1.00 4.34 H new ATOM 0 HZ1 LYS A 108 6.564 -24.791 11.509 1.00 2.35 H new ATOM 0 HZ2 LYS A 108 5.445 -24.138 10.412 1.00 2.35 H new ATOM 0 HZ3 LYS A 108 6.640 -23.145 11.097 1.00 2.35 H new ATOM 1621 N GLY A 109 -0.784 -22.917 9.820 1.00 42.33 N ATOM 1622 CA GLY A 109 -1.721 -24.019 9.956 1.00 40.22 C ATOM 1623 C GLY A 109 -2.420 -24.312 8.626 1.00 3.25 C ATOM 1624 O GLY A 109 -2.700 -25.467 8.310 1.00 13.21 O ATOM 0 H GLY A 109 -1.215 -21.993 9.778 1.00 42.33 H new ATOM 0 HA2 GLY A 109 -1.193 -24.910 10.298 1.00 40.22 H new ATOM 0 HA3 GLY A 109 -2.464 -23.778 10.716 1.00 40.22 H new