USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 120:sc= 0.0778 USER MOD Set 1.2: A 78 ASN : amide:sc= 1.11 K(o=1.2,f=-0.74) USER MOD Set 2.1: A 18 MET CE :methyl -125:sc= -0.569 (180deg=-4.36!) USER MOD Set 2.2: A 21 TYR OH : rot 165:sc= -0.414 USER MOD Set 2.3: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 0.623 (180deg=0.405) USER MOD Single : A 9 SER OG : rot -72:sc= -0.394 USER MOD Single : A 11 HIS : no HD1:sc= 0.183 K(o=0.18,f=-3.5!) USER MOD Single : A 16 SER OG : rot -150:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 61:sc= 0.866 USER MOD Single : A 22 SER OG : rot -154:sc= 1.04 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HE2:sc= 0.322 F(o=-1.1,f=0.32) USER MOD Single : A 33 HIS : no HE2:sc= 0.00548 X(o=0.0055,f=-0.062) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -0.0495 (180deg=-0.339) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.0623 USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00358 F(o=-1.2,f=-0.0036) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -53:sc= 0.309 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 136:sc= -2.98 (180deg=-5.52!) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 1.18 (180deg=0.93) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 150:sc= 0.0374 USER MOD Single : A 69 CYS SG : rot -5:sc= 1.09 USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.059 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.1) USER MOD Single : A 80 SER OG : rot 57:sc= 1.28 USER MOD Single : A 81 THR OG1 : rot -92:sc= 1.02 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -110:sc= -1.18 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0221 (180deg=-0.218) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0396 (180deg=-0.242) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -168:sc= -0.0023 (180deg=-0.19) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0174 F(o=-1.1!,f=-0.017) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 16.190 -2.263 1.406 1.00 0.02 N ATOM 86 CA PHE A 7 15.359 -1.567 0.442 1.00 24.41 C ATOM 87 C PHE A 7 14.940 -0.210 0.984 1.00 34.02 C ATOM 88 O PHE A 7 14.519 -0.087 2.135 1.00 62.45 O ATOM 89 CB PHE A 7 14.137 -2.402 0.051 1.00 20.11 C ATOM 90 CG PHE A 7 13.660 -3.358 1.106 1.00 53.52 C ATOM 91 CD1 PHE A 7 12.872 -2.919 2.155 1.00 21.01 C ATOM 92 CD2 PHE A 7 13.994 -4.700 1.036 1.00 71.35 C ATOM 93 CE1 PHE A 7 12.428 -3.801 3.118 1.00 14.41 C ATOM 94 CE2 PHE A 7 13.550 -5.587 1.994 1.00 53.55 C ATOM 95 CZ PHE A 7 12.767 -5.136 3.036 1.00 65.14 C ATOM 0 HA PHE A 7 15.950 -1.411 -0.461 1.00 24.41 H new ATOM 0 HB2 PHE A 7 13.320 -1.727 -0.203 1.00 20.11 H new ATOM 0 HB3 PHE A 7 14.375 -2.967 -0.850 1.00 20.11 H new ATOM 0 HD1 PHE A 7 12.602 -1.875 2.220 1.00 21.01 H new ATOM 0 HD2 PHE A 7 14.609 -5.056 0.222 1.00 71.35 H new ATOM 0 HE1 PHE A 7 11.816 -3.447 3.935 1.00 14.41 H new ATOM 0 HE2 PHE A 7 13.815 -6.632 1.929 1.00 53.55 H new ATOM 0 HZ PHE A 7 12.419 -5.828 3.788 1.00 65.14 H new ATOM 105 N LYS A 8 15.096 0.809 0.154 1.00 33.43 N ATOM 106 CA LYS A 8 14.797 2.179 0.534 1.00 1.51 C ATOM 107 C LYS A 8 13.440 2.605 0.007 1.00 52.54 C ATOM 108 O LYS A 8 12.913 3.663 0.360 1.00 1.44 O ATOM 109 CB LYS A 8 15.867 3.087 -0.041 1.00 5.42 C ATOM 110 CG LYS A 8 15.980 3.012 -1.554 1.00 70.11 C ATOM 111 CD LYS A 8 17.149 3.831 -2.080 1.00 44.24 C ATOM 112 CE LYS A 8 17.264 3.708 -3.589 1.00 13.01 C ATOM 113 NZ LYS A 8 18.444 4.429 -4.129 1.00 42.01 N ATOM 0 H LYS A 8 15.434 0.709 -0.803 1.00 33.43 H new ATOM 0 HA LYS A 8 14.779 2.249 1.622 1.00 1.51 H new ATOM 0 HB2 LYS A 8 15.653 4.116 0.248 1.00 5.42 H new ATOM 0 HB3 LYS A 8 16.829 2.826 0.400 1.00 5.42 H new ATOM 0 HG2 LYS A 8 16.101 1.972 -1.857 1.00 70.11 H new ATOM 0 HG3 LYS A 8 15.055 3.370 -2.005 1.00 70.11 H new ATOM 0 HD2 LYS A 8 17.017 4.878 -1.806 1.00 44.24 H new ATOM 0 HD3 LYS A 8 18.074 3.493 -1.612 1.00 44.24 H new ATOM 0 HE2 LYS A 8 17.330 2.654 -3.861 1.00 13.01 H new ATOM 0 HE3 LYS A 8 16.359 4.100 -4.052 1.00 13.01 H new ATOM 0 HZ1 LYS A 8 18.299 4.623 -5.140 1.00 42.01 H new ATOM 0 HZ2 LYS A 8 18.566 5.326 -3.618 1.00 42.01 H new ATOM 0 HZ3 LYS A 8 19.294 3.843 -4.008 1.00 42.01 H new ATOM 127 N SER A 9 12.898 1.780 -0.852 1.00 22.01 N ATOM 128 CA SER A 9 11.650 2.083 -1.525 1.00 75.24 C ATOM 129 C SER A 9 10.448 1.716 -0.667 1.00 71.31 C ATOM 130 O SER A 9 10.459 0.708 0.036 1.00 75.45 O ATOM 131 CB SER A 9 11.616 1.328 -2.838 1.00 54.31 C ATOM 132 OG SER A 9 12.579 0.294 -2.814 1.00 71.01 O ATOM 0 H SER A 9 13.304 0.880 -1.108 1.00 22.01 H new ATOM 0 HA SER A 9 11.595 3.156 -1.708 1.00 75.24 H new ATOM 0 HB2 SER A 9 10.623 0.910 -3.004 1.00 54.31 H new ATOM 0 HB3 SER A 9 11.818 2.008 -3.666 1.00 54.31 H new ATOM 0 HG SER A 9 13.477 0.681 -2.881 1.00 71.01 H new ATOM 138 N PHE A 10 9.410 2.538 -0.736 1.00 70.43 N ATOM 139 CA PHE A 10 8.216 2.331 0.071 1.00 53.15 C ATOM 140 C PHE A 10 7.465 1.067 -0.331 1.00 54.15 C ATOM 141 O PHE A 10 7.154 0.243 0.521 1.00 3.30 O ATOM 142 CB PHE A 10 7.303 3.553 -0.009 1.00 21.32 C ATOM 143 CG PHE A 10 7.803 4.707 0.815 1.00 62.15 C ATOM 144 CD1 PHE A 10 8.916 5.430 0.419 1.00 12.11 C ATOM 145 CD2 PHE A 10 7.166 5.057 1.993 1.00 30.00 C ATOM 146 CE1 PHE A 10 9.384 6.481 1.184 1.00 32.31 C ATOM 147 CE2 PHE A 10 7.628 6.109 2.760 1.00 2.10 C ATOM 148 CZ PHE A 10 8.740 6.819 2.355 1.00 51.12 C ATOM 0 H PHE A 10 9.371 3.356 -1.344 1.00 70.43 H new ATOM 0 HA PHE A 10 8.537 2.197 1.104 1.00 53.15 H new ATOM 0 HB2 PHE A 10 7.213 3.867 -1.049 1.00 21.32 H new ATOM 0 HB3 PHE A 10 6.304 3.277 0.328 1.00 21.32 H new ATOM 0 HD1 PHE A 10 9.424 5.169 -0.498 1.00 12.11 H new ATOM 0 HD2 PHE A 10 6.298 4.501 2.316 1.00 30.00 H new ATOM 0 HE1 PHE A 10 10.253 7.037 0.865 1.00 32.31 H new ATOM 0 HE2 PHE A 10 7.120 6.375 3.675 1.00 2.10 H new ATOM 0 HZ PHE A 10 9.105 7.639 2.955 1.00 51.12 H new ATOM 158 N HIS A 11 7.199 0.891 -1.626 1.00 63.41 N ATOM 159 CA HIS A 11 6.433 -0.274 -2.077 1.00 14.43 C ATOM 160 C HIS A 11 7.245 -1.548 -1.874 1.00 72.22 C ATOM 161 O HIS A 11 6.698 -2.645 -1.789 1.00 73.44 O ATOM 162 CB HIS A 11 5.975 -0.124 -3.546 1.00 42.24 C ATOM 163 CG HIS A 11 6.938 -0.605 -4.608 1.00 60.12 C ATOM 164 ND1 HIS A 11 7.770 0.240 -5.314 1.00 72.51 N ATOM 165 CD2 HIS A 11 7.136 -1.844 -5.132 1.00 41.35 C ATOM 166 CE1 HIS A 11 8.432 -0.457 -6.225 1.00 30.40 C ATOM 167 NE2 HIS A 11 8.066 -1.720 -6.134 1.00 13.00 N ATOM 0 H HIS A 11 7.495 1.525 -2.368 1.00 63.41 H new ATOM 0 HA HIS A 11 5.529 -0.341 -1.471 1.00 14.43 H new ATOM 0 HB2 HIS A 11 5.036 -0.665 -3.667 1.00 42.24 H new ATOM 0 HB3 HIS A 11 5.762 0.929 -3.731 1.00 42.24 H new ATOM 0 HD2 HIS A 11 6.651 -2.757 -4.818 1.00 41.35 H new ATOM 0 HE1 HIS A 11 9.151 -0.058 -6.925 1.00 30.40 H new ATOM 0 HE2 HIS A 11 8.417 -2.482 -6.714 1.00 13.00 H new ATOM 176 N ASP A 12 8.552 -1.376 -1.800 1.00 41.33 N ATOM 177 CA ASP A 12 9.473 -2.476 -1.559 1.00 64.32 C ATOM 178 C ASP A 12 9.513 -2.830 -0.078 1.00 62.15 C ATOM 179 O ASP A 12 9.469 -4.004 0.292 1.00 61.25 O ATOM 180 CB ASP A 12 10.863 -2.084 -2.062 1.00 3.33 C ATOM 181 CG ASP A 12 10.969 -2.173 -3.571 1.00 73.31 C ATOM 182 OD1 ASP A 12 10.434 -1.276 -4.261 1.00 1.14 O ATOM 183 OD2 ASP A 12 11.576 -3.135 -4.073 1.00 30.04 O ATOM 0 H ASP A 12 9.007 -0.469 -1.905 1.00 41.33 H new ATOM 0 HA ASP A 12 9.131 -3.359 -2.100 1.00 64.32 H new ATOM 0 HB2 ASP A 12 11.090 -1.067 -1.742 1.00 3.33 H new ATOM 0 HB3 ASP A 12 11.610 -2.735 -1.607 1.00 3.33 H new ATOM 188 N PHE A 13 9.581 -1.805 0.760 1.00 35.44 N ATOM 189 CA PHE A 13 9.613 -1.993 2.204 1.00 15.22 C ATOM 190 C PHE A 13 8.296 -2.593 2.698 1.00 41.45 C ATOM 191 O PHE A 13 8.291 -3.529 3.500 1.00 24.44 O ATOM 192 CB PHE A 13 9.885 -0.657 2.908 1.00 32.42 C ATOM 193 CG PHE A 13 10.206 -0.792 4.374 1.00 75.44 C ATOM 194 CD1 PHE A 13 9.195 -0.857 5.321 1.00 2.22 C ATOM 195 CD2 PHE A 13 11.523 -0.851 4.802 1.00 2.10 C ATOM 196 CE1 PHE A 13 9.495 -0.980 6.666 1.00 73.21 C ATOM 197 CE2 PHE A 13 11.827 -0.974 6.143 1.00 40.43 C ATOM 198 CZ PHE A 13 10.812 -1.039 7.078 1.00 44.13 C ATOM 0 H PHE A 13 9.615 -0.830 0.463 1.00 35.44 H new ATOM 0 HA PHE A 13 10.419 -2.687 2.443 1.00 15.22 H new ATOM 0 HB2 PHE A 13 10.715 -0.157 2.409 1.00 32.42 H new ATOM 0 HB3 PHE A 13 9.012 -0.014 2.795 1.00 32.42 H new ATOM 0 HD1 PHE A 13 8.163 -0.811 5.005 1.00 2.22 H new ATOM 0 HD2 PHE A 13 12.322 -0.800 4.077 1.00 2.10 H new ATOM 0 HE1 PHE A 13 8.699 -1.030 7.394 1.00 73.21 H new ATOM 0 HE2 PHE A 13 12.858 -1.019 6.461 1.00 40.43 H new ATOM 0 HZ PHE A 13 11.048 -1.136 8.128 1.00 44.13 H new ATOM 208 N VAL A 14 7.181 -2.056 2.201 1.00 14.52 N ATOM 209 CA VAL A 14 5.851 -2.521 2.592 1.00 42.10 C ATOM 210 C VAL A 14 5.677 -4.010 2.302 1.00 23.05 C ATOM 211 O VAL A 14 5.060 -4.732 3.085 1.00 62.44 O ATOM 212 CB VAL A 14 4.734 -1.723 1.877 1.00 23.22 C ATOM 213 CG1 VAL A 14 3.361 -2.312 2.169 1.00 50.32 C ATOM 214 CG2 VAL A 14 4.773 -0.260 2.293 1.00 75.24 C ATOM 0 H VAL A 14 7.174 -1.294 1.523 1.00 14.52 H new ATOM 0 HA VAL A 14 5.765 -2.356 3.666 1.00 42.10 H new ATOM 0 HB VAL A 14 4.913 -1.791 0.804 1.00 23.22 H new ATOM 0 HG11 VAL A 14 2.598 -1.730 1.653 1.00 50.32 H new ATOM 0 HG12 VAL A 14 3.327 -3.344 1.821 1.00 50.32 H new ATOM 0 HG13 VAL A 14 3.174 -2.284 3.242 1.00 50.32 H new ATOM 0 HG21 VAL A 14 3.981 0.285 1.780 1.00 75.24 H new ATOM 0 HG22 VAL A 14 4.627 -0.184 3.371 1.00 75.24 H new ATOM 0 HG23 VAL A 14 5.739 0.168 2.027 1.00 75.24 H new ATOM 224 N ALA A 15 6.247 -4.472 1.192 1.00 41.20 N ATOM 225 CA ALA A 15 6.126 -5.873 0.801 1.00 11.31 C ATOM 226 C ALA A 15 6.742 -6.794 1.851 1.00 54.14 C ATOM 227 O ALA A 15 6.248 -7.895 2.096 1.00 60.22 O ATOM 228 CB ALA A 15 6.777 -6.104 -0.556 1.00 63.10 C ATOM 0 H ALA A 15 6.795 -3.899 0.550 1.00 41.20 H new ATOM 0 HA ALA A 15 5.065 -6.111 0.726 1.00 11.31 H new ATOM 0 HB1 ALA A 15 6.678 -7.154 -0.833 1.00 63.10 H new ATOM 0 HB2 ALA A 15 6.286 -5.483 -1.305 1.00 63.10 H new ATOM 0 HB3 ALA A 15 7.833 -5.841 -0.502 1.00 63.10 H new ATOM 234 N SER A 16 7.818 -6.337 2.471 1.00 41.00 N ATOM 235 CA SER A 16 8.467 -7.107 3.519 1.00 1.34 C ATOM 236 C SER A 16 7.764 -6.878 4.855 1.00 3.13 C ATOM 237 O SER A 16 7.635 -7.798 5.665 1.00 42.11 O ATOM 238 CB SER A 16 9.944 -6.725 3.620 1.00 34.21 C ATOM 239 OG SER A 16 10.649 -7.614 4.471 1.00 74.21 O ATOM 0 H SER A 16 8.259 -5.440 2.268 1.00 41.00 H new ATOM 0 HA SER A 16 8.400 -8.166 3.269 1.00 1.34 H new ATOM 0 HB2 SER A 16 10.393 -6.736 2.627 1.00 34.21 H new ATOM 0 HB3 SER A 16 10.033 -5.707 3.999 1.00 34.21 H new ATOM 0 HG SER A 16 11.392 -7.138 4.897 1.00 74.21 H new ATOM 245 N TYR A 17 7.298 -5.651 5.077 1.00 22.25 N ATOM 246 CA TYR A 17 6.590 -5.314 6.309 1.00 13.52 C ATOM 247 C TYR A 17 5.294 -6.111 6.415 1.00 71.24 C ATOM 248 O TYR A 17 4.945 -6.609 7.487 1.00 3.34 O ATOM 249 CB TYR A 17 6.294 -3.811 6.380 1.00 3.52 C ATOM 250 CG TYR A 17 5.593 -3.395 7.658 1.00 61.44 C ATOM 251 CD1 TYR A 17 6.292 -3.299 8.855 1.00 31.11 C ATOM 252 CD2 TYR A 17 4.233 -3.112 7.668 1.00 42.02 C ATOM 253 CE1 TYR A 17 5.654 -2.930 10.025 1.00 2.33 C ATOM 254 CE2 TYR A 17 3.589 -2.745 8.835 1.00 72.13 C ATOM 255 CZ TYR A 17 4.305 -2.656 10.010 1.00 1.31 C ATOM 256 OH TYR A 17 3.667 -2.293 11.177 1.00 72.14 O ATOM 0 H TYR A 17 7.398 -4.876 4.422 1.00 22.25 H new ATOM 0 HA TYR A 17 7.234 -5.576 7.149 1.00 13.52 H new ATOM 0 HB2 TYR A 17 7.230 -3.259 6.292 1.00 3.52 H new ATOM 0 HB3 TYR A 17 5.676 -3.529 5.527 1.00 3.52 H new ATOM 0 HD1 TYR A 17 7.350 -3.516 8.872 1.00 31.11 H new ATOM 0 HD2 TYR A 17 3.670 -3.180 6.749 1.00 42.02 H new ATOM 0 HE1 TYR A 17 6.212 -2.857 10.947 1.00 2.33 H new ATOM 0 HE2 TYR A 17 2.531 -2.529 8.826 1.00 72.13 H new ATOM 0 HH TYR A 17 2.717 -2.133 10.995 1.00 72.14 H new ATOM 266 N MET A 18 4.585 -6.233 5.299 1.00 70.34 N ATOM 267 CA MET A 18 3.375 -7.039 5.253 1.00 2.43 C ATOM 268 C MET A 18 3.714 -8.485 5.568 1.00 52.51 C ATOM 269 O MET A 18 3.063 -9.123 6.396 1.00 0.31 O ATOM 270 CB MET A 18 2.702 -6.939 3.882 1.00 63.10 C ATOM 271 CG MET A 18 1.407 -7.733 3.784 1.00 4.32 C ATOM 272 SD MET A 18 0.415 -7.284 2.349 1.00 2.14 S ATOM 273 CE MET A 18 -0.017 -5.598 2.770 1.00 3.21 C ATOM 0 H MET A 18 4.828 -5.784 4.416 1.00 70.34 H new ATOM 0 HA MET A 18 2.676 -6.661 5.999 1.00 2.43 H new ATOM 0 HB2 MET A 18 2.495 -5.892 3.663 1.00 63.10 H new ATOM 0 HB3 MET A 18 3.395 -7.293 3.119 1.00 63.10 H new ATOM 0 HG2 MET A 18 1.642 -8.796 3.739 1.00 4.32 H new ATOM 0 HG3 MET A 18 0.820 -7.574 4.689 1.00 4.32 H new ATOM 0 HE1 MET A 18 -1.101 -5.483 2.745 1.00 3.21 H new ATOM 0 HE2 MET A 18 0.350 -5.367 3.770 1.00 3.21 H new ATOM 0 HE3 MET A 18 0.437 -4.916 2.051 1.00 3.21 H new ATOM 283 N LYS A 19 4.765 -8.975 4.924 1.00 14.33 N ATOM 284 CA LYS A 19 5.273 -10.324 5.143 1.00 73.22 C ATOM 285 C LYS A 19 5.565 -10.567 6.626 1.00 12.42 C ATOM 286 O LYS A 19 5.324 -11.655 7.145 1.00 63.32 O ATOM 287 CB LYS A 19 6.545 -10.515 4.317 1.00 73.14 C ATOM 288 CG LYS A 19 7.203 -11.870 4.477 1.00 63.20 C ATOM 289 CD LYS A 19 8.526 -11.905 3.737 1.00 5.03 C ATOM 290 CE LYS A 19 9.217 -13.250 3.867 1.00 10.12 C ATOM 291 NZ LYS A 19 10.534 -13.257 3.176 1.00 13.33 N ATOM 0 H LYS A 19 5.293 -8.445 4.231 1.00 14.33 H new ATOM 0 HA LYS A 19 4.516 -11.044 4.831 1.00 73.22 H new ATOM 0 HB2 LYS A 19 6.305 -10.364 3.264 1.00 73.14 H new ATOM 0 HB3 LYS A 19 7.262 -9.742 4.594 1.00 73.14 H new ATOM 0 HG2 LYS A 19 7.365 -12.080 5.534 1.00 63.20 H new ATOM 0 HG3 LYS A 19 6.544 -12.649 4.094 1.00 63.20 H new ATOM 0 HD2 LYS A 19 8.357 -11.685 2.683 1.00 5.03 H new ATOM 0 HD3 LYS A 19 9.179 -11.123 4.125 1.00 5.03 H new ATOM 0 HE2 LYS A 19 9.357 -13.487 4.922 1.00 10.12 H new ATOM 0 HE3 LYS A 19 8.581 -14.029 3.447 1.00 10.12 H new ATOM 0 HZ1 LYS A 19 10.978 -14.191 3.285 1.00 13.33 H new ATOM 0 HZ2 LYS A 19 10.397 -13.055 2.165 1.00 13.33 H new ATOM 0 HZ3 LYS A 19 11.149 -12.530 3.594 1.00 13.33 H new ATOM 305 N THR A 20 6.060 -9.532 7.296 1.00 40.11 N ATOM 306 CA THR A 20 6.403 -9.607 8.712 1.00 43.21 C ATOM 307 C THR A 20 5.213 -10.067 9.564 1.00 15.14 C ATOM 308 O THR A 20 5.342 -10.985 10.374 1.00 51.14 O ATOM 309 CB THR A 20 6.912 -8.245 9.230 1.00 55.30 C ATOM 310 OG1 THR A 20 8.013 -7.792 8.428 1.00 25.35 O ATOM 311 CG2 THR A 20 7.351 -8.343 10.683 1.00 5.22 C ATOM 0 H THR A 20 6.234 -8.620 6.874 1.00 40.11 H new ATOM 0 HA THR A 20 7.198 -10.347 8.805 1.00 43.21 H new ATOM 0 HB THR A 20 6.091 -7.531 9.161 1.00 55.30 H new ATOM 0 HG1 THR A 20 7.719 -7.687 7.499 1.00 25.35 H new ATOM 0 HG21 THR A 20 7.705 -7.370 11.023 1.00 5.22 H new ATOM 0 HG22 THR A 20 6.507 -8.657 11.298 1.00 5.22 H new ATOM 0 HG23 THR A 20 8.156 -9.073 10.772 1.00 5.22 H new ATOM 319 N TYR A 21 4.049 -9.444 9.384 1.00 24.25 N ATOM 320 CA TYR A 21 2.885 -9.819 10.168 1.00 1.11 C ATOM 321 C TYR A 21 2.106 -10.942 9.486 1.00 14.24 C ATOM 322 O TYR A 21 1.254 -11.578 10.099 1.00 30.34 O ATOM 323 CB TYR A 21 1.986 -8.608 10.445 1.00 11.42 C ATOM 324 CG TYR A 21 1.284 -8.018 9.239 1.00 53.53 C ATOM 325 CD1 TYR A 21 0.121 -8.591 8.736 1.00 62.15 C ATOM 326 CD2 TYR A 21 1.764 -6.869 8.628 1.00 63.51 C ATOM 327 CE1 TYR A 21 -0.536 -8.040 7.656 1.00 20.32 C ATOM 328 CE2 TYR A 21 1.114 -6.314 7.545 1.00 73.21 C ATOM 329 CZ TYR A 21 -0.036 -6.902 7.064 1.00 22.12 C ATOM 330 OH TYR A 21 -0.691 -6.349 5.989 1.00 44.24 O ATOM 0 H TYR A 21 3.893 -8.691 8.714 1.00 24.25 H new ATOM 0 HA TYR A 21 3.237 -10.192 11.130 1.00 1.11 H new ATOM 0 HB2 TYR A 21 1.231 -8.899 11.175 1.00 11.42 H new ATOM 0 HB3 TYR A 21 2.591 -7.828 10.907 1.00 11.42 H new ATOM 0 HD1 TYR A 21 -0.274 -9.483 9.199 1.00 62.15 H new ATOM 0 HD2 TYR A 21 2.661 -6.401 9.006 1.00 63.51 H new ATOM 0 HE1 TYR A 21 -1.437 -8.498 7.277 1.00 20.32 H new ATOM 0 HE2 TYR A 21 1.505 -5.423 7.076 1.00 73.21 H new ATOM 0 HH TYR A 21 -0.362 -5.438 5.839 1.00 44.24 H new ATOM 340 N SER A 22 2.421 -11.198 8.223 1.00 61.21 N ATOM 341 CA SER A 22 1.800 -12.290 7.476 1.00 4.43 C ATOM 342 C SER A 22 2.243 -13.649 8.016 1.00 10.13 C ATOM 343 O SER A 22 1.711 -14.685 7.625 1.00 2.40 O ATOM 344 CB SER A 22 2.120 -12.166 5.986 1.00 30.50 C ATOM 345 OG SER A 22 1.515 -11.006 5.446 1.00 72.12 O ATOM 0 H SER A 22 3.106 -10.663 7.690 1.00 61.21 H new ATOM 0 HA SER A 22 0.720 -12.219 7.605 1.00 4.43 H new ATOM 0 HB2 SER A 22 3.200 -12.121 5.842 1.00 30.50 H new ATOM 0 HB3 SER A 22 1.764 -13.050 5.456 1.00 30.50 H new ATOM 0 HG SER A 22 1.364 -11.133 4.486 1.00 72.12 H new ATOM 351 N ARG A 23 3.224 -13.638 8.914 1.00 65.21 N ATOM 352 CA ARG A 23 3.689 -14.856 9.569 1.00 43.22 C ATOM 353 C ARG A 23 2.570 -15.505 10.390 1.00 22.54 C ATOM 354 O ARG A 23 2.610 -16.707 10.666 1.00 61.44 O ATOM 355 CB ARG A 23 4.892 -14.543 10.461 1.00 74.23 C ATOM 356 CG ARG A 23 6.131 -14.128 9.681 1.00 72.23 C ATOM 357 CD ARG A 23 7.278 -13.746 10.603 1.00 41.43 C ATOM 358 NE ARG A 23 7.626 -14.820 11.530 1.00 24.54 N ATOM 359 CZ ARG A 23 8.866 -15.256 11.744 1.00 61.21 C ATOM 360 NH1 ARG A 23 9.891 -14.754 11.064 1.00 74.34 N ATOM 361 NH2 ARG A 23 9.071 -16.209 12.638 1.00 74.31 N ATOM 0 H ARG A 23 3.715 -12.793 9.206 1.00 65.21 H new ATOM 0 HA ARG A 23 3.991 -15.565 8.798 1.00 43.22 H new ATOM 0 HB2 ARG A 23 4.624 -13.745 11.154 1.00 74.23 H new ATOM 0 HB3 ARG A 23 5.127 -15.421 11.062 1.00 74.23 H new ATOM 0 HG2 ARG A 23 6.443 -14.947 9.033 1.00 72.23 H new ATOM 0 HG3 ARG A 23 5.888 -13.285 9.035 1.00 72.23 H new ATOM 0 HD2 ARG A 23 8.152 -13.488 10.005 1.00 41.43 H new ATOM 0 HD3 ARG A 23 7.005 -12.855 11.169 1.00 41.43 H new ATOM 0 HE ARG A 23 6.869 -15.266 12.048 1.00 24.54 H new ATOM 0 HH11 ARG A 23 9.733 -14.025 10.368 1.00 74.34 H new ATOM 0 HH12 ARG A 23 10.836 -15.097 11.238 1.00 74.34 H new ATOM 0 HH21 ARG A 23 8.284 -16.602 13.155 1.00 74.31 H new ATOM 0 HH22 ARG A 23 10.016 -16.551 12.811 1.00 74.31 H new ATOM 375 N ARG A 24 1.568 -14.714 10.768 1.00 10.04 N ATOM 376 CA ARG A 24 0.417 -15.232 11.505 1.00 33.12 C ATOM 377 C ARG A 24 -0.729 -15.551 10.548 1.00 73.51 C ATOM 378 O ARG A 24 -1.831 -15.912 10.969 1.00 62.23 O ATOM 379 CB ARG A 24 -0.048 -14.231 12.568 1.00 25.54 C ATOM 380 CG ARG A 24 -0.560 -12.920 11.994 1.00 64.25 C ATOM 381 CD ARG A 24 -1.018 -11.964 13.083 1.00 45.51 C ATOM 382 NE ARG A 24 -2.180 -12.471 13.811 1.00 5.10 N ATOM 383 CZ ARG A 24 -2.571 -12.010 14.999 1.00 24.12 C ATOM 384 NH1 ARG A 24 -1.915 -11.002 15.565 1.00 54.21 N ATOM 385 NH2 ARG A 24 -3.623 -12.544 15.607 1.00 21.14 N ATOM 0 H ARG A 24 1.530 -13.713 10.576 1.00 10.04 H new ATOM 0 HA ARG A 24 0.723 -16.150 12.007 1.00 33.12 H new ATOM 0 HB2 ARG A 24 -0.837 -14.689 13.164 1.00 25.54 H new ATOM 0 HB3 ARG A 24 0.781 -14.022 13.244 1.00 25.54 H new ATOM 0 HG2 ARG A 24 0.228 -12.449 11.406 1.00 64.25 H new ATOM 0 HG3 ARG A 24 -1.389 -13.120 11.315 1.00 64.25 H new ATOM 0 HD2 ARG A 24 -0.199 -11.794 13.782 1.00 45.51 H new ATOM 0 HD3 ARG A 24 -1.263 -11.000 12.638 1.00 45.51 H new ATOM 0 HE ARG A 24 -2.723 -13.222 13.385 1.00 5.10 H new ATOM 0 HH11 ARG A 24 -1.115 -10.584 15.090 1.00 54.21 H new ATOM 0 HH12 ARG A 24 -2.212 -10.647 16.474 1.00 54.21 H new ATOM 0 HH21 ARG A 24 -4.134 -13.308 15.165 1.00 21.14 H new ATOM 0 HH22 ARG A 24 -3.921 -12.190 16.516 1.00 21.14 H new ATOM 399 N LEU A 25 -0.458 -15.408 9.259 1.00 20.20 N ATOM 400 CA LEU A 25 -1.427 -15.703 8.222 1.00 3.02 C ATOM 401 C LEU A 25 -0.987 -16.922 7.435 1.00 33.54 C ATOM 402 O LEU A 25 0.119 -17.436 7.625 1.00 75.44 O ATOM 403 CB LEU A 25 -1.567 -14.523 7.250 1.00 24.31 C ATOM 404 CG LEU A 25 -2.616 -13.467 7.602 1.00 43.41 C ATOM 405 CD1 LEU A 25 -2.297 -12.802 8.926 1.00 30.23 C ATOM 406 CD2 LEU A 25 -2.705 -12.425 6.497 1.00 62.44 C ATOM 0 H LEU A 25 0.442 -15.084 8.906 1.00 20.20 H new ATOM 0 HA LEU A 25 -2.386 -15.889 8.705 1.00 3.02 H new ATOM 0 HB2 LEU A 25 -0.599 -14.029 7.172 1.00 24.31 H new ATOM 0 HB3 LEU A 25 -1.802 -14.921 6.263 1.00 24.31 H new ATOM 0 HG LEU A 25 -3.580 -13.966 7.697 1.00 43.41 H new ATOM 0 HD11 LEU A 25 -3.059 -12.056 9.151 1.00 30.23 H new ATOM 0 HD12 LEU A 25 -2.280 -13.553 9.716 1.00 30.23 H new ATOM 0 HD13 LEU A 25 -1.322 -12.318 8.865 1.00 30.23 H new ATOM 0 HD21 LEU A 25 -3.455 -11.679 6.760 1.00 62.44 H new ATOM 0 HD22 LEU A 25 -1.737 -11.939 6.376 1.00 62.44 H new ATOM 0 HD23 LEU A 25 -2.987 -12.909 5.562 1.00 62.44 H new ATOM 418 N GLU A 26 -1.860 -17.389 6.571 1.00 42.33 N ATOM 419 CA GLU A 26 -1.502 -18.370 5.579 1.00 72.12 C ATOM 420 C GLU A 26 -0.821 -17.663 4.418 1.00 34.55 C ATOM 421 O GLU A 26 -1.034 -16.467 4.203 1.00 31.23 O ATOM 422 CB GLU A 26 -2.762 -19.067 5.096 1.00 13.02 C ATOM 423 CG GLU A 26 -2.630 -20.564 4.938 1.00 5.23 C ATOM 424 CD GLU A 26 -1.705 -20.964 3.812 1.00 43.04 C ATOM 425 OE1 GLU A 26 -1.930 -20.517 2.669 1.00 75.51 O ATOM 426 OE2 GLU A 26 -0.748 -21.723 4.062 1.00 22.41 O ATOM 0 H GLU A 26 -2.837 -17.098 6.539 1.00 42.33 H new ATOM 0 HA GLU A 26 -0.823 -19.110 6.002 1.00 72.12 H new ATOM 0 HB2 GLU A 26 -3.569 -18.858 5.798 1.00 13.02 H new ATOM 0 HB3 GLU A 26 -3.055 -18.638 4.138 1.00 13.02 H new ATOM 0 HG2 GLU A 26 -2.262 -20.990 5.871 1.00 5.23 H new ATOM 0 HG3 GLU A 26 -3.616 -20.992 4.759 1.00 5.23 H new ATOM 433 N ILE A 27 -0.017 -18.390 3.666 1.00 22.14 N ATOM 434 CA ILE A 27 0.665 -17.806 2.522 1.00 62.12 C ATOM 435 C ILE A 27 -0.354 -17.419 1.455 1.00 73.23 C ATOM 436 O ILE A 27 -0.170 -16.440 0.736 1.00 3.11 O ATOM 437 CB ILE A 27 1.729 -18.760 1.929 1.00 43.51 C ATOM 438 CG1 ILE A 27 2.807 -19.055 2.977 1.00 24.14 C ATOM 439 CG2 ILE A 27 2.358 -18.158 0.679 1.00 62.14 C ATOM 440 CD1 ILE A 27 3.943 -19.917 2.464 1.00 72.11 C ATOM 0 H ILE A 27 0.180 -19.378 3.823 1.00 22.14 H new ATOM 0 HA ILE A 27 1.189 -16.915 2.867 1.00 62.12 H new ATOM 0 HB ILE A 27 1.241 -19.693 1.648 1.00 43.51 H new ATOM 0 HG12 ILE A 27 3.215 -18.112 3.340 1.00 24.14 H new ATOM 0 HG13 ILE A 27 2.344 -19.551 3.830 1.00 24.14 H new ATOM 0 HG21 ILE A 27 3.103 -18.846 0.279 1.00 62.14 H new ATOM 0 HG22 ILE A 27 1.585 -17.985 -0.070 1.00 62.14 H new ATOM 0 HG23 ILE A 27 2.837 -17.212 0.932 1.00 62.14 H new ATOM 0 HD11 ILE A 27 4.665 -20.081 3.264 1.00 72.11 H new ATOM 0 HD12 ILE A 27 3.549 -20.876 2.128 1.00 72.11 H new ATOM 0 HD13 ILE A 27 4.433 -19.414 1.630 1.00 72.11 H new ATOM 452 N GLY A 28 -1.444 -18.176 1.384 1.00 2.11 N ATOM 453 CA GLY A 28 -2.520 -17.857 0.465 1.00 25.24 C ATOM 454 C GLY A 28 -3.137 -16.501 0.749 1.00 61.42 C ATOM 455 O GLY A 28 -3.318 -15.691 -0.160 1.00 42.30 O ATOM 0 H GLY A 28 -1.601 -19.010 1.950 1.00 2.11 H new ATOM 0 HA2 GLY A 28 -2.139 -17.874 -0.556 1.00 25.24 H new ATOM 0 HA3 GLY A 28 -3.291 -18.625 0.531 1.00 25.24 H new ATOM 459 N THR A 29 -3.432 -16.237 2.017 1.00 13.14 N ATOM 460 CA THR A 29 -4.013 -14.963 2.414 1.00 62.14 C ATOM 461 C THR A 29 -3.032 -13.828 2.125 1.00 61.44 C ATOM 462 O THR A 29 -3.421 -12.724 1.727 1.00 22.11 O ATOM 463 CB THR A 29 -4.368 -14.971 3.914 1.00 74.42 C ATOM 464 OG1 THR A 29 -5.013 -16.208 4.251 1.00 74.31 O ATOM 465 CG2 THR A 29 -5.288 -13.810 4.261 1.00 30.05 C ATOM 0 H THR A 29 -3.278 -16.889 2.786 1.00 13.14 H new ATOM 0 HA THR A 29 -4.926 -14.808 1.839 1.00 62.14 H new ATOM 0 HB THR A 29 -3.446 -14.866 4.485 1.00 74.42 H new ATOM 0 HG1 THR A 29 -5.236 -16.211 5.205 1.00 74.31 H new ATOM 0 HG21 THR A 29 -5.524 -13.838 5.325 1.00 30.05 H new ATOM 0 HG22 THR A 29 -4.792 -12.869 4.024 1.00 30.05 H new ATOM 0 HG23 THR A 29 -6.209 -13.890 3.683 1.00 30.05 H new ATOM 473 N PHE A 30 -1.755 -14.124 2.313 1.00 12.30 N ATOM 474 CA PHE A 30 -0.691 -13.173 2.042 1.00 13.31 C ATOM 475 C PHE A 30 -0.561 -12.894 0.544 1.00 24.44 C ATOM 476 O PHE A 30 -0.630 -11.742 0.118 1.00 52.23 O ATOM 477 CB PHE A 30 0.632 -13.707 2.601 1.00 63.23 C ATOM 478 CG PHE A 30 1.825 -12.845 2.300 1.00 62.14 C ATOM 479 CD1 PHE A 30 1.768 -11.470 2.459 1.00 74.44 C ATOM 480 CD2 PHE A 30 3.010 -13.417 1.862 1.00 64.42 C ATOM 481 CE1 PHE A 30 2.868 -10.683 2.187 1.00 54.42 C ATOM 482 CE2 PHE A 30 4.113 -12.634 1.591 1.00 4.54 C ATOM 483 CZ PHE A 30 4.042 -11.266 1.754 1.00 4.40 C ATOM 0 H PHE A 30 -1.429 -15.027 2.657 1.00 12.30 H new ATOM 0 HA PHE A 30 -0.939 -12.232 2.533 1.00 13.31 H new ATOM 0 HB2 PHE A 30 0.539 -13.814 3.682 1.00 63.23 H new ATOM 0 HB3 PHE A 30 0.808 -14.704 2.196 1.00 63.23 H new ATOM 0 HD1 PHE A 30 0.853 -11.009 2.800 1.00 74.44 H new ATOM 0 HD2 PHE A 30 3.070 -14.487 1.732 1.00 64.42 H new ATOM 0 HE1 PHE A 30 2.811 -9.612 2.313 1.00 54.42 H new ATOM 0 HE2 PHE A 30 5.031 -13.091 1.252 1.00 4.54 H new ATOM 0 HZ PHE A 30 4.905 -10.651 1.543 1.00 4.40 H new ATOM 493 N ARG A 31 -0.413 -13.949 -0.255 1.00 4.04 N ATOM 494 CA ARG A 31 -0.163 -13.801 -1.689 1.00 40.43 C ATOM 495 C ARG A 31 -1.333 -13.128 -2.407 1.00 3.24 C ATOM 496 O ARG A 31 -1.161 -12.606 -3.499 1.00 1.04 O ATOM 497 CB ARG A 31 0.154 -15.144 -2.355 1.00 41.32 C ATOM 498 CG ARG A 31 -0.956 -16.171 -2.250 1.00 35.20 C ATOM 499 CD ARG A 31 -0.708 -17.337 -3.186 1.00 64.33 C ATOM 500 NE ARG A 31 -0.946 -16.969 -4.580 1.00 50.21 N ATOM 501 CZ ARG A 31 -0.001 -16.904 -5.518 1.00 64.35 C ATOM 502 NH1 ARG A 31 1.266 -17.179 -5.227 1.00 44.53 N ATOM 503 NH2 ARG A 31 -0.333 -16.553 -6.753 1.00 54.41 N ATOM 0 H ARG A 31 -0.462 -14.916 0.066 1.00 4.04 H new ATOM 0 HA ARG A 31 0.711 -13.157 -1.780 1.00 40.43 H new ATOM 0 HB2 ARG A 31 0.374 -14.971 -3.408 1.00 41.32 H new ATOM 0 HB3 ARG A 31 1.057 -15.555 -1.904 1.00 41.32 H new ATOM 0 HG2 ARG A 31 -1.026 -16.532 -1.224 1.00 35.20 H new ATOM 0 HG3 ARG A 31 -1.912 -15.705 -2.490 1.00 35.20 H new ATOM 0 HD2 ARG A 31 0.319 -17.684 -3.071 1.00 64.33 H new ATOM 0 HD3 ARG A 31 -1.358 -18.168 -2.913 1.00 64.33 H new ATOM 0 HE ARG A 31 -1.903 -16.746 -4.855 1.00 50.21 H new ATOM 0 HH11 ARG A 31 1.525 -17.444 -4.277 1.00 44.53 H new ATOM 0 HH12 ARG A 31 1.979 -17.126 -5.954 1.00 44.53 H new ATOM 0 HH21 ARG A 31 -1.304 -16.336 -6.978 1.00 54.41 H new ATOM 0 HH22 ARG A 31 0.383 -16.500 -7.478 1.00 54.41 H new ATOM 517 N HIS A 32 -2.522 -13.136 -1.807 1.00 41.03 N ATOM 518 CA HIS A 32 -3.667 -12.440 -2.402 1.00 24.00 C ATOM 519 C HIS A 32 -3.482 -10.923 -2.337 1.00 72.44 C ATOM 520 O HIS A 32 -4.095 -10.177 -3.100 1.00 62.12 O ATOM 521 CB HIS A 32 -4.980 -12.846 -1.732 1.00 23.44 C ATOM 522 CG HIS A 32 -5.643 -14.018 -2.392 1.00 51.42 C ATOM 523 ND1 HIS A 32 -5.399 -15.345 -2.303 1.00 11.15 N flip ATOM 524 CD2 HIS A 32 -6.699 -13.885 -3.268 1.00 35.25 C flip ATOM 525 CE1 HIS A 32 -6.302 -15.981 -3.116 1.00 21.32 C flip ATOM 526 NE2 HIS A 32 -7.073 -15.079 -3.687 1.00 34.44 N flip ATOM 0 H HIS A 32 -2.719 -13.607 -0.924 1.00 41.03 H new ATOM 0 HA HIS A 32 -3.718 -12.737 -3.449 1.00 24.00 H new ATOM 0 HB2 HIS A 32 -4.787 -13.087 -0.687 1.00 23.44 H new ATOM 0 HB3 HIS A 32 -5.663 -11.997 -1.743 1.00 23.44 H new ATOM 0 HD1 HIS A 32 -4.677 -15.790 -1.736 1.00 11.15 H new ATOM 0 HD2 HIS A 32 -7.150 -12.950 -3.565 1.00 35.25 H new ATOM 0 HE1 HIS A 32 -6.370 -17.049 -3.264 1.00 21.32 H new ATOM 535 N HIS A 33 -2.640 -10.474 -1.417 1.00 2.04 N ATOM 536 CA HIS A 33 -2.246 -9.070 -1.348 1.00 14.00 C ATOM 537 C HIS A 33 -0.898 -8.902 -2.032 1.00 3.43 C ATOM 538 O HIS A 33 -0.558 -7.843 -2.557 1.00 25.34 O ATOM 539 CB HIS A 33 -2.136 -8.605 0.110 1.00 30.42 C ATOM 540 CG HIS A 33 -3.440 -8.534 0.844 1.00 61.35 C ATOM 541 ND1 HIS A 33 -3.873 -9.508 1.719 1.00 3.44 N ATOM 542 CD2 HIS A 33 -4.392 -7.573 0.854 1.00 41.25 C ATOM 543 CE1 HIS A 33 -5.035 -9.146 2.235 1.00 54.14 C ATOM 544 NE2 HIS A 33 -5.373 -7.974 1.727 1.00 3.44 N ATOM 0 H HIS A 33 -2.213 -11.064 -0.703 1.00 2.04 H new ATOM 0 HA HIS A 33 -3.004 -8.466 -1.847 1.00 14.00 H new ATOM 0 HB2 HIS A 33 -1.470 -9.283 0.644 1.00 30.42 H new ATOM 0 HB3 HIS A 33 -1.670 -7.620 0.129 1.00 30.42 H new ATOM 0 HD1 HIS A 33 -3.375 -10.372 1.934 1.00 3.44 H new ATOM 0 HD2 HIS A 33 -4.382 -6.658 0.280 1.00 41.25 H new ATOM 0 HE1 HIS A 33 -5.611 -9.713 2.951 1.00 54.14 H new ATOM 553 N LYS A 34 -0.154 -9.993 -2.030 1.00 64.34 N ATOM 554 CA LYS A 34 1.217 -10.028 -2.506 1.00 50.31 C ATOM 555 C LYS A 34 1.265 -10.128 -4.034 1.00 54.22 C ATOM 556 O LYS A 34 2.264 -9.772 -4.659 1.00 14.32 O ATOM 557 CB LYS A 34 1.897 -11.229 -1.839 1.00 71.13 C ATOM 558 CG LYS A 34 3.411 -11.224 -1.857 1.00 53.53 C ATOM 559 CD LYS A 34 3.958 -11.824 -3.134 1.00 70.02 C ATOM 560 CE LYS A 34 5.427 -12.156 -2.993 1.00 23.12 C ATOM 561 NZ LYS A 34 5.653 -13.305 -2.075 1.00 12.44 N ATOM 0 H LYS A 34 -0.491 -10.894 -1.692 1.00 64.34 H new ATOM 0 HA LYS A 34 1.741 -9.108 -2.245 1.00 50.31 H new ATOM 0 HB2 LYS A 34 1.565 -11.280 -0.802 1.00 71.13 H new ATOM 0 HB3 LYS A 34 1.550 -12.138 -2.330 1.00 71.13 H new ATOM 0 HG2 LYS A 34 3.773 -10.201 -1.752 1.00 53.53 H new ATOM 0 HG3 LYS A 34 3.787 -11.785 -1.001 1.00 53.53 H new ATOM 0 HD2 LYS A 34 3.400 -12.727 -3.384 1.00 70.02 H new ATOM 0 HD3 LYS A 34 3.817 -11.124 -3.958 1.00 70.02 H new ATOM 0 HE2 LYS A 34 5.842 -12.388 -3.974 1.00 23.12 H new ATOM 0 HE3 LYS A 34 5.962 -11.283 -2.619 1.00 23.12 H new ATOM 0 HZ1 LYS A 34 6.591 -13.715 -2.257 1.00 12.44 H new ATOM 0 HZ2 LYS A 34 5.604 -12.977 -1.089 1.00 12.44 H new ATOM 0 HZ3 LYS A 34 4.922 -14.027 -2.236 1.00 12.44 H new ATOM 575 N SER A 35 0.175 -10.592 -4.627 1.00 61.01 N ATOM 576 CA SER A 35 0.078 -10.725 -6.075 1.00 31.21 C ATOM 577 C SER A 35 0.154 -9.361 -6.751 1.00 71.01 C ATOM 578 O SER A 35 0.779 -9.211 -7.804 1.00 2.40 O ATOM 579 CB SER A 35 -1.224 -11.440 -6.445 1.00 0.50 C ATOM 580 OG SER A 35 -2.312 -10.937 -5.684 1.00 62.34 O ATOM 0 H SER A 35 -0.662 -10.885 -4.123 1.00 61.01 H new ATOM 0 HA SER A 35 0.920 -11.320 -6.429 1.00 31.21 H new ATOM 0 HB2 SER A 35 -1.427 -11.308 -7.508 1.00 0.50 H new ATOM 0 HB3 SER A 35 -1.118 -12.511 -6.271 1.00 0.50 H new ATOM 0 HG SER A 35 -3.134 -11.407 -5.938 1.00 62.34 H new ATOM 586 N CYS A 36 -0.474 -8.370 -6.132 1.00 64.51 N ATOM 587 CA CYS A 36 -0.407 -6.997 -6.610 1.00 54.02 C ATOM 588 C CYS A 36 1.032 -6.502 -6.579 1.00 62.13 C ATOM 589 O CYS A 36 1.542 -5.956 -7.560 1.00 54.14 O ATOM 590 CB CYS A 36 -1.285 -6.102 -5.737 1.00 41.24 C ATOM 591 SG CYS A 36 -3.051 -6.484 -5.840 1.00 43.23 S ATOM 0 H CYS A 36 -1.039 -8.494 -5.292 1.00 64.51 H new ATOM 0 HA CYS A 36 -0.769 -6.961 -7.637 1.00 54.02 H new ATOM 0 HB2 CYS A 36 -0.963 -6.194 -4.700 1.00 41.24 H new ATOM 0 HB3 CYS A 36 -1.130 -5.063 -6.028 1.00 41.24 H new ATOM 0 HG CYS A 36 -3.715 -5.678 -5.066 1.00 43.23 H new ATOM 597 N MET A 37 1.678 -6.717 -5.443 1.00 55.53 N ATOM 598 CA MET A 37 3.079 -6.354 -5.259 1.00 44.13 C ATOM 599 C MET A 37 3.975 -7.071 -6.267 1.00 0.54 C ATOM 600 O MET A 37 4.908 -6.479 -6.803 1.00 44.54 O ATOM 601 CB MET A 37 3.529 -6.693 -3.837 1.00 41.51 C ATOM 602 CG MET A 37 2.775 -5.932 -2.761 1.00 21.05 C ATOM 603 SD MET A 37 3.250 -6.440 -1.100 1.00 65.31 S ATOM 604 CE MET A 37 2.281 -5.306 -0.113 1.00 13.42 C ATOM 0 H MET A 37 1.249 -7.147 -4.623 1.00 55.53 H new ATOM 0 HA MET A 37 3.170 -5.280 -5.423 1.00 44.13 H new ATOM 0 HB2 MET A 37 3.402 -7.763 -3.670 1.00 41.51 H new ATOM 0 HB3 MET A 37 4.594 -6.480 -3.742 1.00 41.51 H new ATOM 0 HG2 MET A 37 2.960 -4.864 -2.878 1.00 21.05 H new ATOM 0 HG3 MET A 37 1.704 -6.087 -2.893 1.00 21.05 H new ATOM 0 HE1 MET A 37 2.466 -5.495 0.945 1.00 13.42 H new ATOM 0 HE2 MET A 37 2.564 -4.281 -0.354 1.00 13.42 H new ATOM 0 HE3 MET A 37 1.222 -5.450 -0.328 1.00 13.42 H new ATOM 614 N ARG A 38 3.690 -8.346 -6.514 1.00 53.53 N ATOM 615 CA ARG A 38 4.444 -9.128 -7.484 1.00 53.33 C ATOM 616 C ARG A 38 4.291 -8.566 -8.892 1.00 74.32 C ATOM 617 O ARG A 38 5.256 -8.503 -9.649 1.00 32.32 O ATOM 618 CB ARG A 38 3.988 -10.583 -7.470 1.00 31.15 C ATOM 619 CG ARG A 38 4.796 -11.483 -6.550 1.00 30.52 C ATOM 620 CD ARG A 38 6.277 -11.450 -6.894 1.00 34.51 C ATOM 621 NE ARG A 38 6.980 -12.630 -6.388 1.00 55.14 N ATOM 622 CZ ARG A 38 8.153 -12.596 -5.756 1.00 25.04 C ATOM 623 NH1 ARG A 38 8.693 -11.435 -5.408 1.00 25.41 N ATOM 624 NH2 ARG A 38 8.766 -13.730 -5.445 1.00 13.34 N ATOM 0 H ARG A 38 2.939 -8.860 -6.053 1.00 53.53 H new ATOM 0 HA ARG A 38 5.495 -9.073 -7.199 1.00 53.33 H new ATOM 0 HB2 ARG A 38 2.941 -10.621 -7.168 1.00 31.15 H new ATOM 0 HB3 ARG A 38 4.042 -10.978 -8.484 1.00 31.15 H new ATOM 0 HG2 ARG A 38 4.655 -11.168 -5.516 1.00 30.52 H new ATOM 0 HG3 ARG A 38 4.427 -12.506 -6.625 1.00 30.52 H new ATOM 0 HD2 ARG A 38 6.397 -11.391 -7.976 1.00 34.51 H new ATOM 0 HD3 ARG A 38 6.728 -10.551 -6.474 1.00 34.51 H new ATOM 0 HE ARG A 38 6.542 -13.541 -6.529 1.00 55.14 H new ATOM 0 HH11 ARG A 38 8.210 -10.563 -5.624 1.00 25.41 H new ATOM 0 HH12 ARG A 38 9.591 -11.415 -4.924 1.00 25.41 H new ATOM 0 HH21 ARG A 38 8.340 -14.624 -5.689 1.00 13.34 H new ATOM 0 HH22 ARG A 38 9.664 -13.708 -4.961 1.00 13.34 H new ATOM 638 N LYS A 39 3.073 -8.169 -9.234 1.00 10.51 N ATOM 639 CA LYS A 39 2.779 -7.642 -10.547 1.00 71.03 C ATOM 640 C LYS A 39 3.455 -6.292 -10.765 1.00 43.21 C ATOM 641 O LYS A 39 4.067 -6.058 -11.805 1.00 73.24 O ATOM 642 CB LYS A 39 1.274 -7.508 -10.684 1.00 3.21 C ATOM 643 CG LYS A 39 0.829 -6.963 -12.016 1.00 25.43 C ATOM 644 CD LYS A 39 -0.669 -6.803 -12.048 1.00 11.23 C ATOM 645 CE LYS A 39 -1.155 -5.773 -11.043 1.00 32.01 C ATOM 646 NZ LYS A 39 -2.631 -5.632 -11.080 1.00 53.33 N ATOM 0 H LYS A 39 2.269 -8.205 -8.608 1.00 10.51 H new ATOM 0 HA LYS A 39 3.166 -8.324 -11.304 1.00 71.03 H new ATOM 0 HB2 LYS A 39 0.817 -8.485 -10.531 1.00 3.21 H new ATOM 0 HB3 LYS A 39 0.904 -6.856 -9.893 1.00 3.21 H new ATOM 0 HG2 LYS A 39 1.307 -6.001 -12.200 1.00 25.43 H new ATOM 0 HG3 LYS A 39 1.146 -7.634 -12.814 1.00 25.43 H new ATOM 0 HD2 LYS A 39 -0.980 -6.506 -13.050 1.00 11.23 H new ATOM 0 HD3 LYS A 39 -1.140 -7.763 -11.839 1.00 11.23 H new ATOM 0 HE2 LYS A 39 -0.841 -6.065 -10.041 1.00 32.01 H new ATOM 0 HE3 LYS A 39 -0.691 -4.810 -11.254 1.00 32.01 H new ATOM 0 HZ1 LYS A 39 -2.929 -4.921 -10.382 1.00 53.33 H new ATOM 0 HZ2 LYS A 39 -2.927 -5.330 -12.030 1.00 53.33 H new ATOM 0 HZ3 LYS A 39 -3.073 -6.546 -10.854 1.00 53.33 H new ATOM 660 N PHE A 40 3.331 -5.407 -9.781 1.00 43.50 N ATOM 661 CA PHE A 40 3.974 -4.097 -9.842 1.00 53.33 C ATOM 662 C PHE A 40 5.493 -4.252 -9.754 1.00 62.22 C ATOM 663 O PHE A 40 6.243 -3.403 -10.237 1.00 2.23 O ATOM 664 CB PHE A 40 3.456 -3.198 -8.714 1.00 44.11 C ATOM 665 CG PHE A 40 3.888 -1.761 -8.832 1.00 53.41 C ATOM 666 CD1 PHE A 40 3.270 -0.915 -9.739 1.00 32.13 C ATOM 667 CD2 PHE A 40 4.905 -1.260 -8.037 1.00 74.40 C ATOM 668 CE1 PHE A 40 3.658 0.407 -9.848 1.00 44.10 C ATOM 669 CE2 PHE A 40 5.298 0.061 -8.142 1.00 5.10 C ATOM 670 CZ PHE A 40 4.674 0.895 -9.050 1.00 51.13 C ATOM 0 H PHE A 40 2.791 -5.572 -8.931 1.00 43.50 H new ATOM 0 HA PHE A 40 3.729 -3.627 -10.795 1.00 53.33 H new ATOM 0 HB2 PHE A 40 2.367 -3.240 -8.701 1.00 44.11 H new ATOM 0 HB3 PHE A 40 3.802 -3.594 -7.759 1.00 44.11 H new ATOM 0 HD1 PHE A 40 2.477 -1.293 -10.367 1.00 32.13 H new ATOM 0 HD2 PHE A 40 5.397 -1.909 -7.327 1.00 74.40 H new ATOM 0 HE1 PHE A 40 3.167 1.058 -10.557 1.00 44.10 H new ATOM 0 HE2 PHE A 40 6.091 0.441 -7.515 1.00 5.10 H new ATOM 0 HZ PHE A 40 4.980 1.927 -9.136 1.00 51.13 H new ATOM 680 N LYS A 41 5.915 -5.346 -9.116 1.00 0.22 N ATOM 681 CA LYS A 41 7.315 -5.755 -9.043 1.00 35.22 C ATOM 682 C LYS A 41 8.122 -4.904 -8.070 1.00 44.54 C ATOM 683 O LYS A 41 8.123 -3.673 -8.126 1.00 54.32 O ATOM 684 CB LYS A 41 7.980 -5.761 -10.424 1.00 33.33 C ATOM 685 CG LYS A 41 7.384 -6.777 -11.385 1.00 4.54 C ATOM 686 CD LYS A 41 8.182 -6.864 -12.675 1.00 21.22 C ATOM 687 CE LYS A 41 8.252 -5.522 -13.385 1.00 44.54 C ATOM 688 NZ LYS A 41 9.065 -5.591 -14.627 1.00 22.22 N ATOM 0 H LYS A 41 5.282 -5.981 -8.629 1.00 0.22 H new ATOM 0 HA LYS A 41 7.309 -6.776 -8.661 1.00 35.22 H new ATOM 0 HB2 LYS A 41 7.896 -4.767 -10.862 1.00 33.33 H new ATOM 0 HB3 LYS A 41 9.044 -5.968 -10.304 1.00 33.33 H new ATOM 0 HG2 LYS A 41 7.355 -7.757 -10.908 1.00 4.54 H new ATOM 0 HG3 LYS A 41 6.354 -6.503 -11.612 1.00 4.54 H new ATOM 0 HD2 LYS A 41 9.191 -7.213 -12.456 1.00 21.22 H new ATOM 0 HD3 LYS A 41 7.726 -7.602 -13.336 1.00 21.22 H new ATOM 0 HE2 LYS A 41 7.244 -5.188 -13.630 1.00 44.54 H new ATOM 0 HE3 LYS A 41 8.679 -4.778 -12.713 1.00 44.54 H new ATOM 0 HZ1 LYS A 41 9.087 -4.655 -15.080 1.00 22.22 H new ATOM 0 HZ2 LYS A 41 10.035 -5.884 -14.391 1.00 22.22 H new ATOM 0 HZ3 LYS A 41 8.643 -6.282 -15.280 1.00 22.22 H new ATOM 702 N GLU A 42 8.774 -5.580 -7.144 1.00 1.24 N ATOM 703 CA GLU A 42 9.745 -4.944 -6.273 1.00 30.41 C ATOM 704 C GLU A 42 10.993 -4.599 -7.082 1.00 21.32 C ATOM 705 O GLU A 42 11.403 -5.367 -7.958 1.00 33.21 O ATOM 706 CB GLU A 42 10.081 -5.869 -5.100 1.00 33.13 C ATOM 707 CG GLU A 42 10.494 -7.269 -5.526 1.00 23.01 C ATOM 708 CD GLU A 42 10.714 -8.202 -4.351 1.00 75.33 C ATOM 709 OE1 GLU A 42 11.828 -8.202 -3.783 1.00 41.33 O ATOM 710 OE2 GLU A 42 9.783 -8.960 -4.006 1.00 40.15 O ATOM 0 H GLU A 42 8.648 -6.578 -6.974 1.00 1.24 H new ATOM 0 HA GLU A 42 9.330 -4.023 -5.863 1.00 30.41 H new ATOM 0 HB2 GLU A 42 10.887 -5.424 -4.517 1.00 33.13 H new ATOM 0 HB3 GLU A 42 9.213 -5.939 -4.444 1.00 33.13 H new ATOM 0 HG2 GLU A 42 9.726 -7.687 -6.177 1.00 23.01 H new ATOM 0 HG3 GLU A 42 11.411 -7.209 -6.113 1.00 23.01 H new ATOM 717 N TYR A 43 11.587 -3.448 -6.806 1.00 72.15 N ATOM 718 CA TYR A 43 12.708 -2.967 -7.599 1.00 61.23 C ATOM 719 C TYR A 43 13.885 -2.592 -6.712 1.00 12.24 C ATOM 720 O TYR A 43 14.798 -3.390 -6.495 1.00 53.05 O ATOM 721 CB TYR A 43 12.316 -1.743 -8.441 1.00 54.55 C ATOM 722 CG TYR A 43 11.294 -2.002 -9.525 1.00 23.04 C ATOM 723 CD1 TYR A 43 11.601 -2.792 -10.625 1.00 1.24 C ATOM 724 CD2 TYR A 43 10.032 -1.427 -9.459 1.00 61.11 C ATOM 725 CE1 TYR A 43 10.677 -3.002 -11.630 1.00 53.54 C ATOM 726 CE2 TYR A 43 9.102 -1.636 -10.456 1.00 34.40 C ATOM 727 CZ TYR A 43 9.428 -2.422 -11.538 1.00 42.15 C ATOM 728 OH TYR A 43 8.505 -2.620 -12.538 1.00 5.11 O ATOM 0 H TYR A 43 11.313 -2.831 -6.041 1.00 72.15 H new ATOM 0 HA TYR A 43 12.996 -3.782 -8.263 1.00 61.23 H new ATOM 0 HB2 TYR A 43 11.926 -0.974 -7.774 1.00 54.55 H new ATOM 0 HB3 TYR A 43 13.216 -1.338 -8.903 1.00 54.55 H new ATOM 0 HD1 TYR A 43 12.577 -3.249 -10.696 1.00 1.24 H new ATOM 0 HD2 TYR A 43 9.774 -0.806 -8.614 1.00 61.11 H new ATOM 0 HE1 TYR A 43 10.930 -3.616 -12.482 1.00 53.54 H new ATOM 0 HE2 TYR A 43 8.123 -1.185 -10.388 1.00 34.40 H new ATOM 0 HH TYR A 43 7.677 -2.144 -12.318 1.00 5.11 H new ATOM 738 N CYS A 44 13.837 -1.370 -6.198 1.00 44.13 N ATOM 739 CA CYS A 44 14.934 -0.796 -5.431 1.00 21.20 C ATOM 740 C CYS A 44 14.565 0.601 -4.948 1.00 15.23 C ATOM 741 O CYS A 44 14.948 1.011 -3.852 1.00 34.32 O ATOM 742 CB CYS A 44 16.211 -0.742 -6.278 1.00 52.21 C ATOM 743 SG CYS A 44 15.991 0.031 -7.899 1.00 34.31 S ATOM 0 H CYS A 44 13.035 -0.748 -6.301 1.00 44.13 H new ATOM 0 HA CYS A 44 15.119 -1.431 -4.564 1.00 21.20 H new ATOM 0 HB2 CYS A 44 16.976 -0.195 -5.727 1.00 52.21 H new ATOM 0 HB3 CYS A 44 16.584 -1.757 -6.419 1.00 52.21 H new ATOM 0 HG CYS A 44 17.124 0.031 -8.537 1.00 34.31 H new ATOM 749 N GLU A 45 13.802 1.328 -5.761 1.00 63.14 N ATOM 750 CA GLU A 45 13.335 2.657 -5.386 1.00 43.51 C ATOM 751 C GLU A 45 12.115 3.059 -6.210 1.00 1.32 C ATOM 752 O GLU A 45 11.547 2.242 -6.936 1.00 25.12 O ATOM 753 CB GLU A 45 14.451 3.688 -5.551 1.00 65.32 C ATOM 754 CG GLU A 45 15.026 3.765 -6.953 1.00 23.13 C ATOM 755 CD GLU A 45 16.099 4.823 -7.067 1.00 10.43 C ATOM 756 OE1 GLU A 45 17.280 4.504 -6.814 1.00 24.55 O ATOM 757 OE2 GLU A 45 15.765 5.981 -7.388 1.00 25.42 O ATOM 0 H GLU A 45 13.495 1.018 -6.683 1.00 63.14 H new ATOM 0 HA GLU A 45 13.044 2.626 -4.336 1.00 43.51 H new ATOM 0 HB2 GLU A 45 14.067 4.670 -5.274 1.00 65.32 H new ATOM 0 HB3 GLU A 45 15.255 3.451 -4.854 1.00 65.32 H new ATOM 0 HG2 GLU A 45 15.442 2.796 -7.228 1.00 23.13 H new ATOM 0 HG3 GLU A 45 14.226 3.982 -7.661 1.00 23.13 H new ATOM 764 N GLY A 46 11.718 4.320 -6.083 1.00 3.32 N ATOM 765 CA GLY A 46 10.560 4.821 -6.790 1.00 61.25 C ATOM 766 C GLY A 46 10.121 6.163 -6.245 1.00 44.15 C ATOM 767 O GLY A 46 10.871 7.135 -6.300 1.00 3.02 O ATOM 0 H GLY A 46 12.186 5.010 -5.495 1.00 3.32 H new ATOM 0 HA2 GLY A 46 10.792 4.915 -7.851 1.00 61.25 H new ATOM 0 HA3 GLY A 46 9.742 4.106 -6.705 1.00 61.25 H new ATOM 771 N LEU A 47 8.915 6.213 -5.699 1.00 14.04 N ATOM 772 CA LEU A 47 8.410 7.435 -5.094 1.00 24.44 C ATOM 773 C LEU A 47 8.586 7.383 -3.583 1.00 40.03 C ATOM 774 O LEU A 47 8.734 6.305 -2.999 1.00 22.11 O ATOM 775 CB LEU A 47 6.939 7.707 -5.497 1.00 42.11 C ATOM 776 CG LEU A 47 5.819 6.838 -4.873 1.00 5.33 C ATOM 777 CD1 LEU A 47 6.121 5.349 -4.966 1.00 71.21 C ATOM 778 CD2 LEU A 47 5.519 7.243 -3.434 1.00 31.30 C ATOM 0 H LEU A 47 8.270 5.424 -5.663 1.00 14.04 H new ATOM 0 HA LEU A 47 8.994 8.274 -5.474 1.00 24.44 H new ATOM 0 HB2 LEU A 47 6.719 8.748 -5.260 1.00 42.11 H new ATOM 0 HB3 LEU A 47 6.870 7.606 -6.580 1.00 42.11 H new ATOM 0 HG LEU A 47 4.924 7.025 -5.466 1.00 5.33 H new ATOM 0 HD11 LEU A 47 5.306 4.784 -4.515 1.00 71.21 H new ATOM 0 HD12 LEU A 47 6.225 5.063 -6.013 1.00 71.21 H new ATOM 0 HD13 LEU A 47 7.049 5.132 -4.437 1.00 71.21 H new ATOM 0 HD21 LEU A 47 4.728 6.608 -3.035 1.00 31.30 H new ATOM 0 HD22 LEU A 47 6.418 7.127 -2.828 1.00 31.30 H new ATOM 0 HD23 LEU A 47 5.197 8.284 -3.409 1.00 31.30 H new ATOM 790 N GLN A 48 8.570 8.548 -2.959 1.00 13.32 N ATOM 791 CA GLN A 48 8.841 8.655 -1.537 1.00 14.51 C ATOM 792 C GLN A 48 7.656 9.259 -0.796 1.00 20.30 C ATOM 793 O GLN A 48 6.624 9.565 -1.391 1.00 21.03 O ATOM 794 CB GLN A 48 10.094 9.499 -1.279 1.00 32.14 C ATOM 795 CG GLN A 48 11.374 8.686 -1.126 1.00 75.12 C ATOM 796 CD GLN A 48 11.758 7.915 -2.375 1.00 42.11 C ATOM 797 OE1 GLN A 48 11.469 8.475 -3.537 1.00 43.24 O flip ATOM 798 NE2 GLN A 48 12.334 6.830 -2.290 1.00 34.21 N flip ATOM 0 H GLN A 48 8.371 9.437 -3.418 1.00 13.32 H new ATOM 0 HA GLN A 48 9.011 7.646 -1.162 1.00 14.51 H new ATOM 0 HB2 GLN A 48 10.220 10.203 -2.102 1.00 32.14 H new ATOM 0 HB3 GLN A 48 9.941 10.089 -0.375 1.00 32.14 H new ATOM 0 HG2 GLN A 48 12.190 9.357 -0.858 1.00 75.12 H new ATOM 0 HG3 GLN A 48 11.253 7.985 -0.300 1.00 75.12 H new ATOM 0 HE21 GLN A 48 12.539 6.432 -1.374 1.00 34.21 H new ATOM 0 HE22 GLN A 48 12.606 6.329 -3.136 1.00 34.21 H new ATOM 807 N PHE A 49 7.840 9.457 0.503 1.00 12.22 N ATOM 808 CA PHE A 49 6.797 9.995 1.377 1.00 53.51 C ATOM 809 C PHE A 49 6.372 11.383 0.929 1.00 22.44 C ATOM 810 O PHE A 49 5.226 11.786 1.099 1.00 54.14 O ATOM 811 CB PHE A 49 7.305 10.042 2.821 1.00 25.10 C ATOM 812 CG PHE A 49 8.547 10.877 3.014 1.00 54.10 C ATOM 813 CD1 PHE A 49 9.804 10.329 2.809 1.00 23.25 C ATOM 814 CD2 PHE A 49 8.458 12.206 3.403 1.00 41.52 C ATOM 815 CE1 PHE A 49 10.946 11.090 2.984 1.00 12.34 C ATOM 816 CE2 PHE A 49 9.598 12.970 3.579 1.00 60.41 C ATOM 817 CZ PHE A 49 10.842 12.412 3.369 1.00 22.44 C ATOM 0 H PHE A 49 8.716 9.250 0.984 1.00 12.22 H new ATOM 0 HA PHE A 49 5.928 9.340 1.319 1.00 53.51 H new ATOM 0 HB2 PHE A 49 6.514 10.435 3.460 1.00 25.10 H new ATOM 0 HB3 PHE A 49 7.509 9.025 3.156 1.00 25.10 H new ATOM 0 HD1 PHE A 49 9.893 9.295 2.509 1.00 23.25 H new ATOM 0 HD2 PHE A 49 7.487 12.649 3.570 1.00 41.52 H new ATOM 0 HE1 PHE A 49 11.919 10.650 2.820 1.00 12.34 H new ATOM 0 HE2 PHE A 49 9.514 14.004 3.881 1.00 60.41 H new ATOM 0 HZ PHE A 49 11.732 13.008 3.505 1.00 22.44 H new ATOM 827 N HIS A 50 7.317 12.094 0.338 1.00 23.34 N ATOM 828 CA HIS A 50 7.088 13.449 -0.151 1.00 43.54 C ATOM 829 C HIS A 50 5.961 13.478 -1.186 1.00 13.52 C ATOM 830 O HIS A 50 5.266 14.484 -1.331 1.00 1.35 O ATOM 831 CB HIS A 50 8.380 14.005 -0.759 1.00 30.11 C ATOM 832 CG HIS A 50 8.312 15.458 -1.127 1.00 73.24 C ATOM 833 ND1 HIS A 50 8.642 16.471 -0.253 1.00 33.44 N ATOM 834 CD2 HIS A 50 7.955 16.066 -2.284 1.00 41.12 C ATOM 835 CE1 HIS A 50 8.490 17.636 -0.853 1.00 23.35 C ATOM 836 NE2 HIS A 50 8.076 17.417 -2.086 1.00 24.14 N ATOM 0 H HIS A 50 8.265 11.751 0.182 1.00 23.34 H new ATOM 0 HA HIS A 50 6.787 14.073 0.691 1.00 43.54 H new ATOM 0 HB2 HIS A 50 9.194 13.859 -0.049 1.00 30.11 H new ATOM 0 HB3 HIS A 50 8.627 13.427 -1.650 1.00 30.11 H new ATOM 0 HD2 HIS A 50 7.635 15.578 -3.192 1.00 41.12 H new ATOM 0 HE1 HIS A 50 8.673 18.604 -0.410 1.00 23.35 H new ATOM 0 HE2 HIS A 50 7.878 18.137 -2.781 1.00 24.14 H new ATOM 845 N GLU A 51 5.782 12.374 -1.899 1.00 41.24 N ATOM 846 CA GLU A 51 4.764 12.299 -2.937 1.00 53.52 C ATOM 847 C GLU A 51 3.563 11.488 -2.470 1.00 12.13 C ATOM 848 O GLU A 51 2.513 11.494 -3.113 1.00 72.34 O ATOM 849 CB GLU A 51 5.348 11.693 -4.209 1.00 52.12 C ATOM 850 CG GLU A 51 6.459 12.531 -4.815 1.00 15.41 C ATOM 851 CD GLU A 51 6.982 11.957 -6.110 1.00 40.43 C ATOM 852 OE1 GLU A 51 6.234 11.967 -7.107 1.00 74.03 O ATOM 853 OE2 GLU A 51 8.151 11.519 -6.141 1.00 73.04 O ATOM 0 H GLU A 51 6.327 11.520 -1.778 1.00 41.24 H new ATOM 0 HA GLU A 51 4.425 13.313 -3.151 1.00 53.52 H new ATOM 0 HB2 GLU A 51 5.733 10.698 -3.986 1.00 52.12 H new ATOM 0 HB3 GLU A 51 4.552 11.570 -4.944 1.00 52.12 H new ATOM 0 HG2 GLU A 51 6.091 13.541 -4.993 1.00 15.41 H new ATOM 0 HG3 GLU A 51 7.279 12.612 -4.101 1.00 15.41 H new ATOM 860 N LEU A 52 3.713 10.808 -1.339 1.00 40.45 N ATOM 861 CA LEU A 52 2.638 9.992 -0.788 1.00 2.43 C ATOM 862 C LEU A 52 1.548 10.902 -0.230 1.00 53.43 C ATOM 863 O LEU A 52 1.550 11.252 0.951 1.00 42.33 O ATOM 864 CB LEU A 52 3.176 9.056 0.304 1.00 42.22 C ATOM 865 CG LEU A 52 2.467 7.701 0.435 1.00 20.22 C ATOM 866 CD1 LEU A 52 1.006 7.873 0.819 1.00 35.40 C ATOM 867 CD2 LEU A 52 2.587 6.913 -0.862 1.00 60.13 C ATOM 0 H LEU A 52 4.570 10.806 -0.785 1.00 40.45 H new ATOM 0 HA LEU A 52 2.215 9.373 -1.579 1.00 2.43 H new ATOM 0 HB2 LEU A 52 4.233 8.874 0.111 1.00 42.22 H new ATOM 0 HB3 LEU A 52 3.111 9.572 1.262 1.00 42.22 H new ATOM 0 HG LEU A 52 2.957 7.143 1.233 1.00 20.22 H new ATOM 0 HD11 LEU A 52 0.534 6.894 0.903 1.00 35.40 H new ATOM 0 HD12 LEU A 52 0.940 8.391 1.776 1.00 35.40 H new ATOM 0 HD13 LEU A 52 0.495 8.457 0.054 1.00 35.40 H new ATOM 0 HD21 LEU A 52 2.079 5.954 -0.754 1.00 60.13 H new ATOM 0 HD22 LEU A 52 2.128 7.477 -1.674 1.00 60.13 H new ATOM 0 HD23 LEU A 52 3.640 6.743 -1.088 1.00 60.13 H new ATOM 879 N THR A 53 0.632 11.298 -1.097 1.00 12.11 N ATOM 880 CA THR A 53 -0.382 12.273 -0.748 1.00 52.34 C ATOM 881 C THR A 53 -1.724 11.919 -1.380 1.00 33.00 C ATOM 882 O THR A 53 -1.846 10.895 -2.056 1.00 14.24 O ATOM 883 CB THR A 53 0.045 13.678 -1.216 1.00 31.13 C ATOM 884 OG1 THR A 53 0.612 13.596 -2.532 1.00 12.30 O ATOM 885 CG2 THR A 53 1.050 14.302 -0.257 1.00 32.12 C ATOM 0 H THR A 53 0.572 10.955 -2.056 1.00 12.11 H new ATOM 0 HA THR A 53 -0.491 12.265 0.336 1.00 52.34 H new ATOM 0 HB THR A 53 -0.840 14.314 -1.235 1.00 31.13 H new ATOM 0 HG1 THR A 53 1.325 12.924 -2.540 1.00 12.30 H new ATOM 0 HG21 THR A 53 1.330 15.292 -0.617 1.00 32.12 H new ATOM 0 HG22 THR A 53 0.603 14.389 0.733 1.00 32.12 H new ATOM 0 HG23 THR A 53 1.938 13.672 -0.200 1.00 32.12 H new ATOM 893 N GLU A 54 -2.717 12.775 -1.154 1.00 34.01 N ATOM 894 CA GLU A 54 -4.049 12.611 -1.727 1.00 72.11 C ATOM 895 C GLU A 54 -3.974 12.368 -3.231 1.00 35.24 C ATOM 896 O GLU A 54 -4.565 11.419 -3.748 1.00 3.15 O ATOM 897 CB GLU A 54 -4.876 13.871 -1.454 1.00 33.33 C ATOM 898 CG GLU A 54 -6.205 13.913 -2.190 1.00 32.22 C ATOM 899 CD GLU A 54 -6.438 15.248 -2.870 1.00 64.40 C ATOM 900 OE1 GLU A 54 -6.015 15.405 -4.038 1.00 31.02 O ATOM 901 OE2 GLU A 54 -7.031 16.147 -2.240 1.00 65.13 O ATOM 0 H GLU A 54 -2.620 13.604 -0.567 1.00 34.01 H new ATOM 0 HA GLU A 54 -4.520 11.744 -1.263 1.00 72.11 H new ATOM 0 HB2 GLU A 54 -5.064 13.944 -0.383 1.00 33.33 H new ATOM 0 HB3 GLU A 54 -4.289 14.746 -1.735 1.00 33.33 H new ATOM 0 HG2 GLU A 54 -6.232 13.118 -2.935 1.00 32.22 H new ATOM 0 HG3 GLU A 54 -7.015 13.719 -1.487 1.00 32.22 H new ATOM 908 N ASP A 55 -3.214 13.215 -3.916 1.00 32.02 N ATOM 909 CA ASP A 55 -3.105 13.149 -5.369 1.00 42.33 C ATOM 910 C ASP A 55 -2.502 11.822 -5.819 1.00 75.12 C ATOM 911 O ASP A 55 -2.868 11.294 -6.868 1.00 2.24 O ATOM 912 CB ASP A 55 -2.264 14.312 -5.894 1.00 3.44 C ATOM 913 CG ASP A 55 -2.228 14.356 -7.408 1.00 34.14 C ATOM 914 OD1 ASP A 55 -3.252 14.725 -8.018 1.00 10.11 O ATOM 915 OD2 ASP A 55 -1.177 14.032 -7.996 1.00 30.32 O ATOM 0 H ASP A 55 -2.662 13.958 -3.487 1.00 32.02 H new ATOM 0 HA ASP A 55 -4.111 13.223 -5.782 1.00 42.33 H new ATOM 0 HB2 ASP A 55 -2.668 15.250 -5.515 1.00 3.44 H new ATOM 0 HB3 ASP A 55 -1.247 14.225 -5.511 1.00 3.44 H new ATOM 920 N PHE A 56 -1.590 11.277 -5.020 1.00 61.41 N ATOM 921 CA PHE A 56 -0.981 9.992 -5.339 1.00 60.11 C ATOM 922 C PHE A 56 -2.016 8.881 -5.238 1.00 10.55 C ATOM 923 O PHE A 56 -2.187 8.097 -6.171 1.00 3.41 O ATOM 924 CB PHE A 56 0.194 9.693 -4.403 1.00 73.32 C ATOM 925 CG PHE A 56 0.870 8.379 -4.693 1.00 30.51 C ATOM 926 CD1 PHE A 56 1.864 8.297 -5.652 1.00 44.15 C ATOM 927 CD2 PHE A 56 0.502 7.225 -4.011 1.00 2.14 C ATOM 928 CE1 PHE A 56 2.481 7.093 -5.929 1.00 1.42 C ATOM 929 CE2 PHE A 56 1.118 6.019 -4.282 1.00 31.32 C ATOM 930 CZ PHE A 56 2.108 5.952 -5.243 1.00 73.52 C ATOM 0 H PHE A 56 -1.259 11.702 -4.154 1.00 61.41 H new ATOM 0 HA PHE A 56 -0.604 10.042 -6.360 1.00 60.11 H new ATOM 0 HB2 PHE A 56 0.927 10.496 -4.484 1.00 73.32 H new ATOM 0 HB3 PHE A 56 -0.163 9.690 -3.373 1.00 73.32 H new ATOM 0 HD1 PHE A 56 2.161 9.185 -6.190 1.00 44.15 H new ATOM 0 HD2 PHE A 56 -0.274 7.272 -3.261 1.00 2.14 H new ATOM 0 HE1 PHE A 56 3.254 7.043 -6.681 1.00 1.42 H new ATOM 0 HE2 PHE A 56 0.826 5.130 -3.743 1.00 31.32 H new ATOM 0 HZ PHE A 56 2.590 5.010 -5.458 1.00 73.52 H new ATOM 940 N LEU A 57 -2.711 8.832 -4.106 1.00 52.22 N ATOM 941 CA LEU A 57 -3.747 7.832 -3.874 1.00 64.12 C ATOM 942 C LEU A 57 -4.839 7.941 -4.932 1.00 65.23 C ATOM 943 O LEU A 57 -5.299 6.936 -5.473 1.00 1.33 O ATOM 944 CB LEU A 57 -4.346 8.010 -2.472 1.00 25.31 C ATOM 945 CG LEU A 57 -3.557 7.376 -1.316 1.00 51.13 C ATOM 946 CD1 LEU A 57 -3.541 5.860 -1.445 1.00 2.11 C ATOM 947 CD2 LEU A 57 -2.134 7.912 -1.250 1.00 22.23 C ATOM 0 H LEU A 57 -2.574 9.479 -3.329 1.00 52.22 H new ATOM 0 HA LEU A 57 -3.297 6.841 -3.942 1.00 64.12 H new ATOM 0 HB2 LEU A 57 -4.446 9.077 -2.274 1.00 25.31 H new ATOM 0 HB3 LEU A 57 -5.352 7.590 -2.472 1.00 25.31 H new ATOM 0 HG LEU A 57 -4.062 7.647 -0.389 1.00 51.13 H new ATOM 0 HD11 LEU A 57 -2.977 5.430 -0.617 1.00 2.11 H new ATOM 0 HD12 LEU A 57 -4.563 5.482 -1.423 1.00 2.11 H new ATOM 0 HD13 LEU A 57 -3.071 5.580 -2.388 1.00 2.11 H new ATOM 0 HD21 LEU A 57 -1.606 7.441 -0.421 1.00 22.23 H new ATOM 0 HD22 LEU A 57 -1.617 7.688 -2.183 1.00 22.23 H new ATOM 0 HD23 LEU A 57 -2.158 8.991 -1.099 1.00 22.23 H new ATOM 959 N ARG A 58 -5.232 9.173 -5.228 1.00 10.14 N ATOM 960 CA ARG A 58 -6.243 9.452 -6.240 1.00 45.43 C ATOM 961 C ARG A 58 -5.791 8.969 -7.619 1.00 23.33 C ATOM 962 O ARG A 58 -6.552 8.317 -8.334 1.00 32.22 O ATOM 963 CB ARG A 58 -6.545 10.960 -6.246 1.00 75.52 C ATOM 964 CG ARG A 58 -7.407 11.452 -7.401 1.00 51.23 C ATOM 965 CD ARG A 58 -6.554 12.082 -8.491 1.00 52.12 C ATOM 966 NE ARG A 58 -7.347 12.900 -9.407 1.00 43.23 N ATOM 967 CZ ARG A 58 -6.966 14.104 -9.841 1.00 24.53 C ATOM 968 NH1 ARG A 58 -5.797 14.616 -9.468 1.00 74.20 N ATOM 969 NH2 ARG A 58 -7.751 14.801 -10.649 1.00 75.54 N ATOM 0 H ARG A 58 -4.859 10.007 -4.774 1.00 10.14 H new ATOM 0 HA ARG A 58 -7.155 8.907 -5.997 1.00 45.43 H new ATOM 0 HB2 ARG A 58 -7.041 11.217 -5.310 1.00 75.52 H new ATOM 0 HB3 ARG A 58 -5.599 11.502 -6.265 1.00 75.52 H new ATOM 0 HG2 ARG A 58 -7.975 10.619 -7.815 1.00 51.23 H new ATOM 0 HG3 ARG A 58 -8.130 12.180 -7.034 1.00 51.23 H new ATOM 0 HD2 ARG A 58 -5.780 12.698 -8.034 1.00 52.12 H new ATOM 0 HD3 ARG A 58 -6.047 11.297 -9.053 1.00 52.12 H new ATOM 0 HE ARG A 58 -8.240 12.531 -9.732 1.00 43.23 H new ATOM 0 HH11 ARG A 58 -5.184 14.088 -8.846 1.00 74.20 H new ATOM 0 HH12 ARG A 58 -5.513 15.536 -9.804 1.00 74.20 H new ATOM 0 HH21 ARG A 58 -8.650 14.418 -10.942 1.00 75.54 H new ATOM 0 HH22 ARG A 58 -7.456 15.720 -10.978 1.00 75.54 H new ATOM 983 N ASP A 59 -4.548 9.274 -7.977 1.00 50.33 N ATOM 984 CA ASP A 59 -4.019 8.904 -9.287 1.00 34.31 C ATOM 985 C ASP A 59 -3.830 7.397 -9.404 1.00 50.33 C ATOM 986 O ASP A 59 -4.153 6.798 -10.430 1.00 11.12 O ATOM 987 CB ASP A 59 -2.688 9.613 -9.549 1.00 21.25 C ATOM 988 CG ASP A 59 -2.135 9.307 -10.926 1.00 4.44 C ATOM 989 OD1 ASP A 59 -2.612 9.913 -11.907 1.00 10.01 O ATOM 990 OD2 ASP A 59 -1.222 8.463 -11.035 1.00 11.01 O ATOM 0 H ASP A 59 -3.889 9.775 -7.381 1.00 50.33 H new ATOM 0 HA ASP A 59 -4.747 9.218 -10.035 1.00 34.31 H new ATOM 0 HB2 ASP A 59 -2.826 10.689 -9.446 1.00 21.25 H new ATOM 0 HB3 ASP A 59 -1.963 9.311 -8.793 1.00 21.25 H new ATOM 995 N TYR A 60 -3.319 6.786 -8.343 1.00 22.14 N ATOM 996 CA TYR A 60 -3.043 5.359 -8.351 1.00 60.31 C ATOM 997 C TYR A 60 -4.345 4.570 -8.360 1.00 64.02 C ATOM 998 O TYR A 60 -4.411 3.476 -8.921 1.00 35.22 O ATOM 999 CB TYR A 60 -2.181 4.962 -7.149 1.00 42.50 C ATOM 1000 CG TYR A 60 -1.632 3.554 -7.246 1.00 43.23 C ATOM 1001 CD1 TYR A 60 -0.769 3.196 -8.274 1.00 14.21 C ATOM 1002 CD2 TYR A 60 -1.981 2.583 -6.316 1.00 53.31 C ATOM 1003 CE1 TYR A 60 -0.269 1.911 -8.374 1.00 41.00 C ATOM 1004 CE2 TYR A 60 -1.486 1.297 -6.409 1.00 32.31 C ATOM 1005 CZ TYR A 60 -0.631 0.965 -7.438 1.00 64.43 C ATOM 1006 OH TYR A 60 -0.137 -0.318 -7.533 1.00 52.40 O ATOM 0 H TYR A 60 -3.088 7.257 -7.468 1.00 22.14 H new ATOM 0 HA TYR A 60 -2.486 5.123 -9.258 1.00 60.31 H new ATOM 0 HB2 TYR A 60 -1.351 5.663 -7.058 1.00 42.50 H new ATOM 0 HB3 TYR A 60 -2.775 5.051 -6.239 1.00 42.50 H new ATOM 0 HD1 TYR A 60 -0.484 3.935 -9.008 1.00 14.21 H new ATOM 0 HD2 TYR A 60 -2.650 2.838 -5.507 1.00 53.31 H new ATOM 0 HE1 TYR A 60 0.401 1.650 -9.180 1.00 41.00 H new ATOM 0 HE2 TYR A 60 -1.768 0.554 -5.678 1.00 32.31 H new ATOM 0 HH TYR A 60 0.373 -0.533 -6.724 1.00 52.40 H new ATOM 1016 N LEU A 61 -5.378 5.136 -7.742 1.00 11.44 N ATOM 1017 CA LEU A 61 -6.714 4.556 -7.787 1.00 11.25 C ATOM 1018 C LEU A 61 -7.173 4.429 -9.234 1.00 53.14 C ATOM 1019 O LEU A 61 -7.557 3.351 -9.686 1.00 4.12 O ATOM 1020 CB LEU A 61 -7.697 5.428 -6.999 1.00 60.50 C ATOM 1021 CG LEU A 61 -9.163 4.995 -7.072 1.00 34.11 C ATOM 1022 CD1 LEU A 61 -9.351 3.621 -6.450 1.00 3.31 C ATOM 1023 CD2 LEU A 61 -10.052 6.019 -6.384 1.00 35.44 C ATOM 0 H LEU A 61 -5.313 5.999 -7.202 1.00 11.44 H new ATOM 0 HA LEU A 61 -6.685 3.565 -7.333 1.00 11.25 H new ATOM 0 HB2 LEU A 61 -7.390 5.437 -5.953 1.00 60.50 H new ATOM 0 HB3 LEU A 61 -7.620 6.453 -7.363 1.00 60.50 H new ATOM 0 HG LEU A 61 -9.451 4.935 -8.122 1.00 34.11 H new ATOM 0 HD11 LEU A 61 -10.401 3.334 -6.513 1.00 3.31 H new ATOM 0 HD12 LEU A 61 -8.742 2.893 -6.986 1.00 3.31 H new ATOM 0 HD13 LEU A 61 -9.045 3.650 -5.404 1.00 3.31 H new ATOM 0 HD21 LEU A 61 -11.092 5.697 -6.444 1.00 35.44 H new ATOM 0 HD22 LEU A 61 -9.760 6.110 -5.338 1.00 35.44 H new ATOM 0 HD23 LEU A 61 -9.942 6.985 -6.876 1.00 35.44 H new ATOM 1035 N ILE A 62 -7.093 5.540 -9.957 1.00 75.32 N ATOM 1036 CA ILE A 62 -7.479 5.581 -11.364 1.00 22.42 C ATOM 1037 C ILE A 62 -6.630 4.618 -12.192 1.00 22.05 C ATOM 1038 O ILE A 62 -7.160 3.817 -12.960 1.00 1.22 O ATOM 1039 CB ILE A 62 -7.345 7.008 -11.943 1.00 11.05 C ATOM 1040 CG1 ILE A 62 -8.210 7.988 -11.145 1.00 45.24 C ATOM 1041 CG2 ILE A 62 -7.738 7.029 -13.415 1.00 13.13 C ATOM 1042 CD1 ILE A 62 -8.067 9.428 -11.589 1.00 65.33 C ATOM 0 H ILE A 62 -6.762 6.432 -9.589 1.00 75.32 H new ATOM 0 HA ILE A 62 -8.524 5.276 -11.419 1.00 22.42 H new ATOM 0 HB ILE A 62 -6.303 7.317 -11.862 1.00 11.05 H new ATOM 0 HG12 ILE A 62 -9.255 7.692 -11.234 1.00 45.24 H new ATOM 0 HG13 ILE A 62 -7.947 7.915 -10.090 1.00 45.24 H new ATOM 0 HG21 ILE A 62 -7.637 8.042 -13.804 1.00 13.13 H new ATOM 0 HG22 ILE A 62 -7.086 6.358 -13.975 1.00 13.13 H new ATOM 0 HG23 ILE A 62 -8.772 6.701 -13.520 1.00 13.13 H new ATOM 0 HD11 ILE A 62 -8.709 10.063 -10.978 1.00 65.33 H new ATOM 0 HD12 ILE A 62 -7.030 9.743 -11.473 1.00 65.33 H new ATOM 0 HD13 ILE A 62 -8.359 9.517 -12.636 1.00 65.33 H new ATOM 1054 N TYR A 63 -5.316 4.693 -12.012 1.00 72.32 N ATOM 1055 CA TYR A 63 -4.376 3.836 -12.733 1.00 32.22 C ATOM 1056 C TYR A 63 -4.704 2.360 -12.511 1.00 44.12 C ATOM 1057 O TYR A 63 -4.688 1.557 -13.444 1.00 14.01 O ATOM 1058 CB TYR A 63 -2.947 4.138 -12.266 1.00 15.22 C ATOM 1059 CG TYR A 63 -1.865 3.418 -13.044 1.00 22.51 C ATOM 1060 CD1 TYR A 63 -1.426 3.906 -14.268 1.00 32.15 C ATOM 1061 CD2 TYR A 63 -1.271 2.263 -12.547 1.00 15.04 C ATOM 1062 CE1 TYR A 63 -0.430 3.261 -14.976 1.00 30.44 C ATOM 1063 CE2 TYR A 63 -0.272 1.615 -13.249 1.00 12.41 C ATOM 1064 CZ TYR A 63 0.144 2.118 -14.462 1.00 52.31 C ATOM 1065 OH TYR A 63 1.138 1.474 -15.163 1.00 63.22 O ATOM 0 H TYR A 63 -4.872 5.346 -11.366 1.00 72.32 H new ATOM 0 HA TYR A 63 -4.460 4.043 -13.800 1.00 32.22 H new ATOM 0 HB2 TYR A 63 -2.775 5.212 -12.338 1.00 15.22 H new ATOM 0 HB3 TYR A 63 -2.859 3.870 -11.213 1.00 15.22 H new ATOM 0 HD1 TYR A 63 -1.870 4.804 -14.673 1.00 32.15 H new ATOM 0 HD2 TYR A 63 -1.596 1.866 -11.597 1.00 15.04 H new ATOM 0 HE1 TYR A 63 -0.103 3.651 -15.928 1.00 30.44 H new ATOM 0 HE2 TYR A 63 0.180 0.719 -12.849 1.00 12.41 H new ATOM 0 HH TYR A 63 1.435 0.687 -14.661 1.00 63.22 H new ATOM 1075 N MET A 64 -5.011 2.010 -11.275 1.00 11.53 N ATOM 1076 CA MET A 64 -5.317 0.633 -10.917 1.00 5.12 C ATOM 1077 C MET A 64 -6.676 0.203 -11.459 1.00 33.33 C ATOM 1078 O MET A 64 -6.835 -0.908 -11.965 1.00 23.11 O ATOM 1079 CB MET A 64 -5.271 0.480 -9.401 1.00 74.31 C ATOM 1080 CG MET A 64 -5.565 -0.923 -8.905 1.00 13.23 C ATOM 1081 SD MET A 64 -4.764 -1.272 -7.328 1.00 5.35 S ATOM 1082 CE MET A 64 -5.084 0.249 -6.436 1.00 13.42 C ATOM 0 H MET A 64 -5.056 2.665 -10.495 1.00 11.53 H new ATOM 0 HA MET A 64 -4.568 -0.016 -11.370 1.00 5.12 H new ATOM 0 HB2 MET A 64 -4.284 0.778 -9.047 1.00 74.31 H new ATOM 0 HB3 MET A 64 -5.990 1.168 -8.956 1.00 74.31 H new ATOM 0 HG2 MET A 64 -6.642 -1.050 -8.799 1.00 13.23 H new ATOM 0 HG3 MET A 64 -5.230 -1.647 -9.648 1.00 13.23 H new ATOM 0 HE1 MET A 64 -5.399 0.015 -5.419 1.00 13.42 H new ATOM 0 HE2 MET A 64 -4.176 0.851 -6.406 1.00 13.42 H new ATOM 0 HE3 MET A 64 -5.873 0.807 -6.940 1.00 13.42 H new ATOM 1092 N LYS A 65 -7.648 1.086 -11.352 1.00 21.23 N ATOM 1093 CA LYS A 65 -9.002 0.793 -11.806 1.00 54.11 C ATOM 1094 C LYS A 65 -9.051 0.708 -13.336 1.00 63.03 C ATOM 1095 O LYS A 65 -9.672 -0.194 -13.899 1.00 43.55 O ATOM 1096 CB LYS A 65 -9.967 1.870 -11.286 1.00 61.21 C ATOM 1097 CG LYS A 65 -11.411 1.404 -11.123 1.00 31.11 C ATOM 1098 CD LYS A 65 -12.137 1.279 -12.452 1.00 11.33 C ATOM 1099 CE LYS A 65 -13.547 0.726 -12.272 1.00 2.01 C ATOM 1100 NZ LYS A 65 -14.393 1.597 -11.413 1.00 12.22 N ATOM 0 H LYS A 65 -7.530 2.017 -10.954 1.00 21.23 H new ATOM 0 HA LYS A 65 -9.309 -0.174 -11.408 1.00 54.11 H new ATOM 0 HB2 LYS A 65 -9.604 2.230 -10.323 1.00 61.21 H new ATOM 0 HB3 LYS A 65 -9.948 2.718 -11.971 1.00 61.21 H new ATOM 0 HG2 LYS A 65 -11.423 0.440 -10.614 1.00 31.11 H new ATOM 0 HG3 LYS A 65 -11.946 2.107 -10.485 1.00 31.11 H new ATOM 0 HD2 LYS A 65 -12.187 2.256 -12.933 1.00 11.33 H new ATOM 0 HD3 LYS A 65 -11.571 0.626 -13.116 1.00 11.33 H new ATOM 0 HE2 LYS A 65 -14.018 0.616 -13.249 1.00 2.01 H new ATOM 0 HE3 LYS A 65 -13.490 -0.269 -11.831 1.00 2.01 H new ATOM 0 HZ1 LYS A 65 -15.386 1.295 -11.484 1.00 12.22 H new ATOM 0 HZ2 LYS A 65 -14.078 1.522 -10.425 1.00 12.22 H new ATOM 0 HZ3 LYS A 65 -14.308 2.584 -11.729 1.00 12.22 H new ATOM 1114 N LYS A 66 -8.372 1.635 -14.000 1.00 5.41 N ATOM 1115 CA LYS A 66 -8.420 1.729 -15.454 1.00 73.24 C ATOM 1116 C LYS A 66 -7.317 0.903 -16.119 1.00 50.34 C ATOM 1117 O LYS A 66 -7.599 -0.077 -16.808 1.00 12.10 O ATOM 1118 CB LYS A 66 -8.295 3.197 -15.875 1.00 71.14 C ATOM 1119 CG LYS A 66 -8.290 3.416 -17.379 1.00 23.42 C ATOM 1120 CD LYS A 66 -8.081 4.883 -17.714 1.00 23.33 C ATOM 1121 CE LYS A 66 -8.023 5.112 -19.212 1.00 3.53 C ATOM 1122 NZ LYS A 66 -7.853 6.551 -19.539 1.00 3.54 N ATOM 0 H LYS A 66 -7.780 2.335 -13.553 1.00 5.41 H new ATOM 0 HA LYS A 66 -9.377 1.324 -15.784 1.00 73.24 H new ATOM 0 HB2 LYS A 66 -9.121 3.760 -15.440 1.00 71.14 H new ATOM 0 HB3 LYS A 66 -7.375 3.606 -15.457 1.00 71.14 H new ATOM 0 HG2 LYS A 66 -7.500 2.819 -17.835 1.00 23.42 H new ATOM 0 HG3 LYS A 66 -9.234 3.073 -17.803 1.00 23.42 H new ATOM 0 HD2 LYS A 66 -8.892 5.473 -17.286 1.00 23.33 H new ATOM 0 HD3 LYS A 66 -7.156 5.233 -17.256 1.00 23.33 H new ATOM 0 HE2 LYS A 66 -7.196 4.542 -19.636 1.00 3.53 H new ATOM 0 HE3 LYS A 66 -8.937 4.739 -19.673 1.00 3.53 H new ATOM 0 HZ1 LYS A 66 -7.817 6.671 -20.571 1.00 3.54 H new ATOM 0 HZ2 LYS A 66 -8.655 7.091 -19.155 1.00 3.54 H new ATOM 0 HZ3 LYS A 66 -6.968 6.900 -19.119 1.00 3.54 H new ATOM 1136 N THR A 67 -6.068 1.282 -15.884 1.00 44.20 N ATOM 1137 CA THR A 67 -4.935 0.670 -16.571 1.00 62.21 C ATOM 1138 C THR A 67 -4.705 -0.766 -16.107 1.00 33.42 C ATOM 1139 O THR A 67 -4.437 -1.659 -16.916 1.00 0.24 O ATOM 1140 CB THR A 67 -3.656 1.497 -16.346 1.00 3.01 C ATOM 1141 OG1 THR A 67 -3.939 2.882 -16.580 1.00 72.22 O ATOM 1142 CG2 THR A 67 -2.541 1.042 -17.275 1.00 10.24 C ATOM 0 H THR A 67 -5.812 2.013 -15.221 1.00 44.20 H new ATOM 0 HA THR A 67 -5.172 0.652 -17.635 1.00 62.21 H new ATOM 0 HB THR A 67 -3.326 1.351 -15.317 1.00 3.01 H new ATOM 0 HG1 THR A 67 -3.358 3.434 -16.016 1.00 72.22 H new ATOM 0 HG21 THR A 67 -1.650 1.643 -17.095 1.00 10.24 H new ATOM 0 HG22 THR A 67 -2.316 -0.008 -17.086 1.00 10.24 H new ATOM 0 HG23 THR A 67 -2.858 1.164 -18.311 1.00 10.24 H new ATOM 1150 N LEU A 68 -4.814 -0.990 -14.805 1.00 41.13 N ATOM 1151 CA LEU A 68 -4.650 -2.329 -14.256 1.00 71.51 C ATOM 1152 C LEU A 68 -5.963 -3.100 -14.355 1.00 53.04 C ATOM 1153 O LEU A 68 -6.000 -4.310 -14.144 1.00 74.31 O ATOM 1154 CB LEU A 68 -4.167 -2.269 -12.802 1.00 44.42 C ATOM 1155 CG LEU A 68 -2.849 -1.518 -12.581 1.00 14.04 C ATOM 1156 CD1 LEU A 68 -2.457 -1.552 -11.113 1.00 13.32 C ATOM 1157 CD2 LEU A 68 -1.738 -2.106 -13.439 1.00 42.41 C ATOM 0 H LEU A 68 -5.014 -0.268 -14.113 1.00 41.13 H new ATOM 0 HA LEU A 68 -3.892 -2.851 -14.840 1.00 71.51 H new ATOM 0 HB2 LEU A 68 -4.941 -1.796 -12.198 1.00 44.42 H new ATOM 0 HB3 LEU A 68 -4.052 -3.288 -12.432 1.00 44.42 H new ATOM 0 HG LEU A 68 -2.997 -0.480 -12.879 1.00 14.04 H new ATOM 0 HD11 LEU A 68 -1.519 -1.014 -10.974 1.00 13.32 H new ATOM 0 HD12 LEU A 68 -3.238 -1.080 -10.517 1.00 13.32 H new ATOM 0 HD13 LEU A 68 -2.333 -2.587 -10.793 1.00 13.32 H new ATOM 0 HD21 LEU A 68 -0.813 -1.556 -13.264 1.00 42.41 H new ATOM 0 HD22 LEU A 68 -1.592 -3.154 -13.177 1.00 42.41 H new ATOM 0 HD23 LEU A 68 -2.012 -2.030 -14.491 1.00 42.41 H new ATOM 1169 N CYS A 69 -7.034 -2.378 -14.678 1.00 71.35 N ATOM 1170 CA CYS A 69 -8.355 -2.971 -14.887 1.00 31.01 C ATOM 1171 C CYS A 69 -8.838 -3.732 -13.649 1.00 13.24 C ATOM 1172 O CYS A 69 -9.448 -4.795 -13.758 1.00 21.43 O ATOM 1173 CB CYS A 69 -8.331 -3.893 -16.112 1.00 5.40 C ATOM 1174 SG CYS A 69 -7.846 -3.063 -17.645 1.00 52.32 S ATOM 0 H CYS A 69 -7.012 -1.366 -14.802 1.00 71.35 H new ATOM 0 HA CYS A 69 -9.061 -2.160 -15.065 1.00 31.01 H new ATOM 0 HB2 CYS A 69 -7.642 -4.716 -15.922 1.00 5.40 H new ATOM 0 HB3 CYS A 69 -9.320 -4.331 -16.245 1.00 5.40 H new ATOM 0 HG CYS A 69 -7.710 -1.789 -17.425 1.00 52.32 H new ATOM 1180 N ASN A 70 -8.561 -3.183 -12.473 1.00 32.12 N ATOM 1181 CA ASN A 70 -9.054 -3.763 -11.227 1.00 3.00 C ATOM 1182 C ASN A 70 -10.275 -2.993 -10.748 1.00 21.24 C ATOM 1183 O ASN A 70 -10.502 -1.859 -11.168 1.00 41.41 O ATOM 1184 CB ASN A 70 -7.974 -3.750 -10.137 1.00 12.21 C ATOM 1185 CG ASN A 70 -6.933 -4.847 -10.301 1.00 74.25 C ATOM 1186 OD1 ASN A 70 -6.607 -5.193 -11.535 1.00 1.34 O flip ATOM 1187 ND2 ASN A 70 -6.419 -5.377 -9.314 1.00 10.30 N flip ATOM 0 H ASN A 70 -8.000 -2.340 -12.354 1.00 32.12 H new ATOM 0 HA ASN A 70 -9.325 -4.800 -11.423 1.00 3.00 H new ATOM 0 HB2 ASN A 70 -7.474 -2.782 -10.144 1.00 12.21 H new ATOM 0 HB3 ASN A 70 -8.451 -3.856 -9.163 1.00 12.21 H new ATOM 0 HD21 ASN A 70 -6.695 -5.085 -8.377 1.00 10.30 H new ATOM 0 HD22 ASN A 70 -5.718 -6.108 -9.435 1.00 10.30 H new ATOM 1194 N ALA A 71 -11.066 -3.611 -9.887 1.00 0.32 N ATOM 1195 CA ALA A 71 -12.239 -2.954 -9.329 1.00 14.31 C ATOM 1196 C ALA A 71 -11.840 -2.090 -8.143 1.00 23.44 C ATOM 1197 O ALA A 71 -10.765 -2.275 -7.573 1.00 61.42 O ATOM 1198 CB ALA A 71 -13.277 -3.988 -8.917 1.00 22.13 C ATOM 0 H ALA A 71 -10.919 -4.565 -9.559 1.00 0.32 H new ATOM 0 HA ALA A 71 -12.680 -2.312 -10.091 1.00 14.31 H new ATOM 0 HB1 ALA A 71 -14.149 -3.483 -8.501 1.00 22.13 H new ATOM 0 HB2 ALA A 71 -13.576 -4.570 -9.788 1.00 22.13 H new ATOM 0 HB3 ALA A 71 -12.850 -4.652 -8.166 1.00 22.13 H new ATOM 1204 N ASP A 72 -12.703 -1.154 -7.770 1.00 73.04 N ATOM 1205 CA ASP A 72 -12.434 -0.262 -6.644 1.00 13.13 C ATOM 1206 C ASP A 72 -12.352 -1.061 -5.354 1.00 44.13 C ATOM 1207 O ASP A 72 -11.561 -0.752 -4.463 1.00 3.21 O ATOM 1208 CB ASP A 72 -13.521 0.806 -6.525 1.00 12.50 C ATOM 1209 CG ASP A 72 -13.619 1.677 -7.759 1.00 51.52 C ATOM 1210 OD1 ASP A 72 -14.275 1.258 -8.738 1.00 31.35 O ATOM 1211 OD2 ASP A 72 -13.054 2.787 -7.760 1.00 52.54 O ATOM 0 H ASP A 72 -13.598 -0.991 -8.231 1.00 73.04 H new ATOM 0 HA ASP A 72 -11.480 0.234 -6.821 1.00 13.13 H new ATOM 0 HB2 ASP A 72 -14.482 0.323 -6.349 1.00 12.50 H new ATOM 0 HB3 ASP A 72 -13.316 1.433 -5.658 1.00 12.50 H new ATOM 1216 N SER A 73 -13.165 -2.107 -5.280 1.00 4.44 N ATOM 1217 CA SER A 73 -13.162 -3.017 -4.146 1.00 13.53 C ATOM 1218 C SER A 73 -11.783 -3.663 -3.994 1.00 31.31 C ATOM 1219 O SER A 73 -11.315 -3.919 -2.884 1.00 73.35 O ATOM 1220 CB SER A 73 -14.227 -4.091 -4.367 1.00 41.10 C ATOM 1221 OG SER A 73 -15.367 -3.541 -5.011 1.00 14.41 O ATOM 0 H SER A 73 -13.843 -2.347 -6.003 1.00 4.44 H new ATOM 0 HA SER A 73 -13.386 -2.465 -3.233 1.00 13.53 H new ATOM 0 HB2 SER A 73 -13.816 -4.899 -4.972 1.00 41.10 H new ATOM 0 HB3 SER A 73 -14.517 -4.525 -3.410 1.00 41.10 H new ATOM 0 HG SER A 73 -16.037 -4.243 -5.146 1.00 14.41 H new ATOM 1227 N THR A 74 -11.136 -3.910 -5.128 1.00 4.01 N ATOM 1228 CA THR A 74 -9.805 -4.493 -5.150 1.00 11.21 C ATOM 1229 C THR A 74 -8.750 -3.415 -4.914 1.00 63.43 C ATOM 1230 O THR A 74 -7.771 -3.624 -4.197 1.00 15.31 O ATOM 1231 CB THR A 74 -9.542 -5.171 -6.507 1.00 23.34 C ATOM 1232 OG1 THR A 74 -10.738 -5.834 -6.946 1.00 23.21 O ATOM 1233 CG2 THR A 74 -8.410 -6.183 -6.402 1.00 25.14 C ATOM 0 H THR A 74 -11.520 -3.712 -6.052 1.00 4.01 H new ATOM 0 HA THR A 74 -9.745 -5.237 -4.356 1.00 11.21 H new ATOM 0 HB THR A 74 -9.252 -4.405 -7.227 1.00 23.34 H new ATOM 0 HG1 THR A 74 -10.574 -6.265 -7.811 1.00 23.21 H new ATOM 0 HG21 THR A 74 -8.245 -6.647 -7.374 1.00 25.14 H new ATOM 0 HG22 THR A 74 -7.499 -5.678 -6.082 1.00 25.14 H new ATOM 0 HG23 THR A 74 -8.674 -6.950 -5.674 1.00 25.14 H new ATOM 1241 N ALA A 75 -8.978 -2.255 -5.512 1.00 22.20 N ATOM 1242 CA ALA A 75 -8.058 -1.133 -5.418 1.00 52.52 C ATOM 1243 C ALA A 75 -7.867 -0.684 -3.976 1.00 34.30 C ATOM 1244 O ALA A 75 -6.750 -0.399 -3.554 1.00 54.24 O ATOM 1245 CB ALA A 75 -8.559 0.022 -6.269 1.00 52.04 C ATOM 0 H ALA A 75 -9.807 -2.066 -6.076 1.00 22.20 H new ATOM 0 HA ALA A 75 -7.088 -1.461 -5.792 1.00 52.52 H new ATOM 0 HB1 ALA A 75 -7.864 0.858 -6.193 1.00 52.04 H new ATOM 0 HB2 ALA A 75 -8.631 -0.297 -7.309 1.00 52.04 H new ATOM 0 HB3 ALA A 75 -9.542 0.334 -5.916 1.00 52.04 H new ATOM 1251 N GLN A 76 -8.962 -0.627 -3.228 1.00 14.01 N ATOM 1252 CA GLN A 76 -8.923 -0.247 -1.830 1.00 1.14 C ATOM 1253 C GLN A 76 -7.977 -1.140 -1.036 1.00 62.21 C ATOM 1254 O GLN A 76 -7.272 -0.668 -0.147 1.00 63.33 O ATOM 1255 CB GLN A 76 -10.329 -0.316 -1.253 1.00 1.23 C ATOM 1256 CG GLN A 76 -11.200 0.877 -1.617 1.00 2.13 C ATOM 1257 CD GLN A 76 -10.766 2.149 -0.915 1.00 41.25 C ATOM 1258 OE1 GLN A 76 -10.211 2.108 0.181 1.00 74.31 O ATOM 1259 NE2 GLN A 76 -11.036 3.290 -1.529 1.00 75.15 N ATOM 0 H GLN A 76 -9.896 -0.843 -3.576 1.00 14.01 H new ATOM 0 HA GLN A 76 -8.546 0.773 -1.756 1.00 1.14 H new ATOM 0 HB2 GLN A 76 -10.812 -1.228 -1.605 1.00 1.23 H new ATOM 0 HB3 GLN A 76 -10.263 -0.389 -0.167 1.00 1.23 H new ATOM 0 HG2 GLN A 76 -11.166 1.032 -2.695 1.00 2.13 H new ATOM 0 HG3 GLN A 76 -12.236 0.659 -1.358 1.00 2.13 H new ATOM 0 HE21 GLN A 76 -11.498 3.283 -2.438 1.00 75.15 H new ATOM 0 HE22 GLN A 76 -10.782 4.176 -1.093 1.00 75.15 H new ATOM 1268 N ARG A 77 -7.947 -2.424 -1.373 1.00 5.03 N ATOM 1269 CA ARG A 77 -7.046 -3.362 -0.710 1.00 23.34 C ATOM 1270 C ARG A 77 -5.591 -2.991 -0.970 1.00 12.50 C ATOM 1271 O ARG A 77 -4.779 -2.950 -0.047 1.00 4.13 O ATOM 1272 CB ARG A 77 -7.301 -4.798 -1.180 1.00 15.30 C ATOM 1273 CG ARG A 77 -8.263 -5.585 -0.300 1.00 51.22 C ATOM 1274 CD ARG A 77 -9.668 -5.006 -0.312 1.00 71.53 C ATOM 1275 NE ARG A 77 -10.587 -5.820 0.478 1.00 42.25 N ATOM 1276 CZ ARG A 77 -11.773 -6.240 0.049 1.00 12.41 C ATOM 1277 NH1 ARG A 77 -12.211 -5.898 -1.158 1.00 63.44 N ATOM 1278 NH2 ARG A 77 -12.524 -6.994 0.839 1.00 72.44 N ATOM 0 H ARG A 77 -8.533 -2.839 -2.098 1.00 5.03 H new ATOM 0 HA ARG A 77 -7.243 -3.303 0.360 1.00 23.34 H new ATOM 0 HB2 ARG A 77 -7.696 -4.771 -2.196 1.00 15.30 H new ATOM 0 HB3 ARG A 77 -6.350 -5.328 -1.222 1.00 15.30 H new ATOM 0 HG2 ARG A 77 -8.297 -6.620 -0.640 1.00 51.22 H new ATOM 0 HG3 ARG A 77 -7.887 -5.597 0.723 1.00 51.22 H new ATOM 0 HD2 ARG A 77 -9.648 -3.990 0.083 1.00 71.53 H new ATOM 0 HD3 ARG A 77 -10.028 -4.941 -1.339 1.00 71.53 H new ATOM 0 HE ARG A 77 -10.300 -6.084 1.421 1.00 42.25 H new ATOM 0 HH11 ARG A 77 -11.636 -5.310 -1.761 1.00 63.44 H new ATOM 0 HH12 ARG A 77 -13.122 -6.224 -1.481 1.00 63.44 H new ATOM 0 HH21 ARG A 77 -12.191 -7.248 1.769 1.00 72.44 H new ATOM 0 HH22 ARG A 77 -13.435 -7.320 0.517 1.00 72.44 H new ATOM 1292 N ASN A 78 -5.275 -2.701 -2.226 1.00 63.25 N ATOM 1293 CA ASN A 78 -3.916 -2.398 -2.620 1.00 34.42 C ATOM 1294 C ASN A 78 -3.485 -1.032 -2.097 1.00 74.04 C ATOM 1295 O ASN A 78 -2.350 -0.849 -1.674 1.00 42.14 O ATOM 1296 CB ASN A 78 -3.806 -2.444 -4.136 1.00 25.25 C ATOM 1297 CG ASN A 78 -2.378 -2.349 -4.610 1.00 60.43 C ATOM 1298 OD1 ASN A 78 -1.449 -2.763 -3.920 1.00 71.12 O ATOM 1299 ND2 ASN A 78 -2.198 -1.804 -5.792 1.00 72.52 N ATOM 0 H ASN A 78 -5.951 -2.671 -2.990 1.00 63.25 H new ATOM 0 HA ASN A 78 -3.251 -3.145 -2.186 1.00 34.42 H new ATOM 0 HB2 ASN A 78 -4.247 -3.371 -4.502 1.00 25.25 H new ATOM 0 HB3 ASN A 78 -4.384 -1.625 -4.565 1.00 25.25 H new ATOM 0 HD21 ASN A 78 -1.256 -1.711 -6.172 1.00 72.52 H new ATOM 0 HD22 ASN A 78 -3.000 -1.474 -6.329 1.00 72.52 H new ATOM 1306 N LEU A 79 -4.403 -0.079 -2.109 1.00 70.11 N ATOM 1307 CA LEU A 79 -4.122 1.257 -1.589 1.00 72.00 C ATOM 1308 C LEU A 79 -3.823 1.201 -0.094 1.00 72.03 C ATOM 1309 O LEU A 79 -3.001 1.961 0.417 1.00 23.25 O ATOM 1310 CB LEU A 79 -5.304 2.200 -1.844 1.00 21.34 C ATOM 1311 CG LEU A 79 -5.562 2.555 -3.311 1.00 44.14 C ATOM 1312 CD1 LEU A 79 -6.839 3.369 -3.446 1.00 51.32 C ATOM 1313 CD2 LEU A 79 -4.382 3.317 -3.893 1.00 32.25 C ATOM 0 H LEU A 79 -5.348 -0.201 -2.472 1.00 70.11 H new ATOM 0 HA LEU A 79 -3.246 1.641 -2.112 1.00 72.00 H new ATOM 0 HB2 LEU A 79 -6.205 1.743 -1.435 1.00 21.34 H new ATOM 0 HB3 LEU A 79 -5.135 3.123 -1.290 1.00 21.34 H new ATOM 0 HG LEU A 79 -5.683 1.628 -3.871 1.00 44.14 H new ATOM 0 HD11 LEU A 79 -7.006 3.612 -4.495 1.00 51.32 H new ATOM 0 HD12 LEU A 79 -7.682 2.789 -3.069 1.00 51.32 H new ATOM 0 HD13 LEU A 79 -6.746 4.290 -2.871 1.00 51.32 H new ATOM 0 HD21 LEU A 79 -4.585 3.560 -4.936 1.00 32.25 H new ATOM 0 HD22 LEU A 79 -4.229 4.237 -3.329 1.00 32.25 H new ATOM 0 HD23 LEU A 79 -3.485 2.701 -3.832 1.00 32.25 H new ATOM 1325 N SER A 80 -4.484 0.283 0.596 1.00 62.23 N ATOM 1326 CA SER A 80 -4.316 0.143 2.034 1.00 34.25 C ATOM 1327 C SER A 80 -2.946 -0.430 2.405 1.00 4.13 C ATOM 1328 O SER A 80 -2.501 -0.266 3.537 1.00 13.21 O ATOM 1329 CB SER A 80 -5.421 -0.740 2.612 1.00 4.13 C ATOM 1330 OG SER A 80 -6.702 -0.175 2.380 1.00 4.30 O ATOM 0 H SER A 80 -5.143 -0.377 0.182 1.00 62.23 H new ATOM 0 HA SER A 80 -4.382 1.143 2.464 1.00 34.25 H new ATOM 0 HB2 SER A 80 -5.371 -1.732 2.162 1.00 4.13 H new ATOM 0 HB3 SER A 80 -5.265 -0.868 3.683 1.00 4.13 H new ATOM 0 HG SER A 80 -6.830 -0.039 1.418 1.00 4.30 H new ATOM 1336 N THR A 81 -2.273 -1.085 1.458 1.00 21.13 N ATOM 1337 CA THR A 81 -0.983 -1.707 1.748 1.00 70.30 C ATOM 1338 C THR A 81 0.048 -0.652 2.152 1.00 15.35 C ATOM 1339 O THR A 81 0.632 -0.719 3.235 1.00 74.31 O ATOM 1340 CB THR A 81 -0.446 -2.521 0.546 1.00 62.31 C ATOM 1341 OG1 THR A 81 -0.186 -1.658 -0.569 1.00 64.13 O ATOM 1342 CG2 THR A 81 -1.436 -3.602 0.132 1.00 30.33 C ATOM 0 H THR A 81 -2.595 -1.197 0.497 1.00 21.13 H new ATOM 0 HA THR A 81 -1.144 -2.395 2.578 1.00 70.30 H new ATOM 0 HB THR A 81 0.484 -2.998 0.857 1.00 62.31 H new ATOM 0 HG1 THR A 81 -0.981 -1.614 -1.141 1.00 64.13 H new ATOM 0 HG21 THR A 81 -1.034 -4.159 -0.714 1.00 30.33 H new ATOM 0 HG22 THR A 81 -1.603 -4.282 0.967 1.00 30.33 H new ATOM 0 HG23 THR A 81 -2.381 -3.140 -0.154 1.00 30.33 H new ATOM 1350 N ILE A 82 0.245 0.329 1.281 1.00 32.32 N ATOM 1351 CA ILE A 82 1.152 1.437 1.552 1.00 74.31 C ATOM 1352 C ILE A 82 0.634 2.262 2.726 1.00 11.23 C ATOM 1353 O ILE A 82 1.406 2.768 3.542 1.00 25.53 O ATOM 1354 CB ILE A 82 1.298 2.343 0.309 1.00 31.42 C ATOM 1355 CG1 ILE A 82 1.753 1.517 -0.898 1.00 71.51 C ATOM 1356 CG2 ILE A 82 2.276 3.480 0.577 1.00 4.41 C ATOM 1357 CD1 ILE A 82 1.864 2.319 -2.178 1.00 31.42 C ATOM 0 H ILE A 82 -0.216 0.380 0.372 1.00 32.32 H new ATOM 0 HA ILE A 82 2.129 1.024 1.801 1.00 74.31 H new ATOM 0 HB ILE A 82 0.325 2.780 0.087 1.00 31.42 H new ATOM 0 HG12 ILE A 82 2.721 1.068 -0.676 1.00 71.51 H new ATOM 0 HG13 ILE A 82 1.050 0.698 -1.052 1.00 71.51 H new ATOM 0 HG21 ILE A 82 2.362 4.104 -0.313 1.00 4.41 H new ATOM 0 HG22 ILE A 82 1.913 4.083 1.409 1.00 4.41 H new ATOM 0 HG23 ILE A 82 3.254 3.068 0.827 1.00 4.41 H new ATOM 0 HD11 ILE A 82 2.191 1.667 -2.988 1.00 31.42 H new ATOM 0 HD12 ILE A 82 0.892 2.746 -2.425 1.00 31.42 H new ATOM 0 HD13 ILE A 82 2.589 3.122 -2.043 1.00 31.42 H new ATOM 1369 N LYS A 83 -0.685 2.361 2.813 1.00 2.33 N ATOM 1370 CA LYS A 83 -1.343 3.109 3.877 1.00 33.44 C ATOM 1371 C LYS A 83 -0.984 2.547 5.246 1.00 63.23 C ATOM 1372 O LYS A 83 -0.848 3.304 6.195 1.00 30.31 O ATOM 1373 CB LYS A 83 -2.859 3.102 3.654 1.00 25.13 C ATOM 1374 CG LYS A 83 -3.646 3.946 4.643 1.00 41.43 C ATOM 1375 CD LYS A 83 -4.320 3.083 5.695 1.00 25.22 C ATOM 1376 CE LYS A 83 -5.082 3.927 6.702 1.00 25.14 C ATOM 1377 NZ LYS A 83 -5.758 3.093 7.729 1.00 22.32 N ATOM 0 H LYS A 83 -1.328 1.927 2.151 1.00 2.33 H new ATOM 0 HA LYS A 83 -0.992 4.140 3.850 1.00 33.44 H new ATOM 0 HB2 LYS A 83 -3.067 3.459 2.645 1.00 25.13 H new ATOM 0 HB3 LYS A 83 -3.217 2.074 3.708 1.00 25.13 H new ATOM 0 HG2 LYS A 83 -2.978 4.658 5.128 1.00 41.43 H new ATOM 0 HG3 LYS A 83 -4.399 4.527 4.110 1.00 41.43 H new ATOM 0 HD2 LYS A 83 -5.004 2.386 5.211 1.00 25.22 H new ATOM 0 HD3 LYS A 83 -3.569 2.486 6.213 1.00 25.22 H new ATOM 0 HE2 LYS A 83 -4.394 4.617 7.191 1.00 25.14 H new ATOM 0 HE3 LYS A 83 -5.824 4.532 6.181 1.00 25.14 H new ATOM 0 HZ1 LYS A 83 -6.266 3.708 8.396 1.00 22.32 H new ATOM 0 HZ2 LYS A 83 -6.433 2.452 7.266 1.00 22.32 H new ATOM 0 HZ3 LYS A 83 -5.048 2.535 8.245 1.00 22.32 H new ATOM 1391 N ILE A 84 -0.804 1.235 5.344 1.00 11.55 N ATOM 1392 CA ILE A 84 -0.408 0.623 6.609 1.00 2.54 C ATOM 1393 C ILE A 84 0.931 1.185 7.084 1.00 34.43 C ATOM 1394 O ILE A 84 1.084 1.544 8.251 1.00 12.54 O ATOM 1395 CB ILE A 84 -0.303 -0.918 6.499 1.00 14.12 C ATOM 1396 CG1 ILE A 84 -1.659 -1.530 6.141 1.00 35.12 C ATOM 1397 CG2 ILE A 84 0.224 -1.523 7.795 1.00 22.12 C ATOM 1398 CD1 ILE A 84 -2.748 -1.217 7.141 1.00 11.35 C ATOM 0 H ILE A 84 -0.924 0.579 4.572 1.00 11.55 H new ATOM 0 HA ILE A 84 -1.186 0.864 7.333 1.00 2.54 H new ATOM 0 HB ILE A 84 0.403 -1.148 5.701 1.00 14.12 H new ATOM 0 HG12 ILE A 84 -1.964 -1.167 5.159 1.00 35.12 H new ATOM 0 HG13 ILE A 84 -1.550 -2.612 6.062 1.00 35.12 H new ATOM 0 HG21 ILE A 84 0.288 -2.606 7.691 1.00 22.12 H new ATOM 0 HG22 ILE A 84 1.214 -1.120 8.009 1.00 22.12 H new ATOM 0 HG23 ILE A 84 -0.453 -1.276 8.613 1.00 22.12 H new ATOM 0 HD11 ILE A 84 -3.680 -1.683 6.822 1.00 11.35 H new ATOM 0 HD12 ILE A 84 -2.465 -1.604 8.120 1.00 11.35 H new ATOM 0 HD13 ILE A 84 -2.885 -0.137 7.204 1.00 11.35 H new ATOM 1410 N TYR A 85 1.889 1.292 6.171 1.00 51.33 N ATOM 1411 CA TYR A 85 3.211 1.791 6.523 1.00 54.03 C ATOM 1412 C TYR A 85 3.171 3.292 6.779 1.00 72.21 C ATOM 1413 O TYR A 85 3.786 3.785 7.725 1.00 41.23 O ATOM 1414 CB TYR A 85 4.228 1.473 5.426 1.00 15.03 C ATOM 1415 CG TYR A 85 5.617 1.991 5.729 1.00 24.43 C ATOM 1416 CD1 TYR A 85 6.357 1.473 6.782 1.00 33.11 C ATOM 1417 CD2 TYR A 85 6.184 3.003 4.965 1.00 30.43 C ATOM 1418 CE1 TYR A 85 7.622 1.948 7.068 1.00 13.40 C ATOM 1419 CE2 TYR A 85 7.449 3.482 5.243 1.00 5.41 C ATOM 1420 CZ TYR A 85 8.163 2.952 6.295 1.00 42.25 C ATOM 1421 OH TYR A 85 9.423 3.430 6.577 1.00 13.21 O ATOM 0 H TYR A 85 1.776 1.042 5.189 1.00 51.33 H new ATOM 0 HA TYR A 85 3.522 1.288 7.438 1.00 54.03 H new ATOM 0 HB2 TYR A 85 4.273 0.393 5.284 1.00 15.03 H new ATOM 0 HB3 TYR A 85 3.884 1.904 4.486 1.00 15.03 H new ATOM 0 HD1 TYR A 85 5.937 0.685 7.389 1.00 33.11 H new ATOM 0 HD2 TYR A 85 5.627 3.422 4.140 1.00 30.43 H new ATOM 0 HE1 TYR A 85 8.184 1.535 7.893 1.00 13.40 H new ATOM 0 HE2 TYR A 85 7.876 4.268 4.639 1.00 5.41 H new ATOM 0 HH TYR A 85 9.656 4.135 5.937 1.00 13.21 H new ATOM 1431 N VAL A 86 2.447 4.015 5.936 1.00 70.30 N ATOM 1432 CA VAL A 86 2.300 5.458 6.093 1.00 32.11 C ATOM 1433 C VAL A 86 1.593 5.779 7.408 1.00 23.44 C ATOM 1434 O VAL A 86 2.000 6.678 8.142 1.00 11.41 O ATOM 1435 CB VAL A 86 1.516 6.073 4.914 1.00 25.32 C ATOM 1436 CG1 VAL A 86 1.268 7.559 5.133 1.00 43.22 C ATOM 1437 CG2 VAL A 86 2.261 5.851 3.608 1.00 11.42 C ATOM 0 H VAL A 86 1.951 3.626 5.134 1.00 70.30 H new ATOM 0 HA VAL A 86 3.299 5.895 6.105 1.00 32.11 H new ATOM 0 HB VAL A 86 0.549 5.573 4.858 1.00 25.32 H new ATOM 0 HG11 VAL A 86 0.714 7.964 4.286 1.00 43.22 H new ATOM 0 HG12 VAL A 86 0.690 7.701 6.046 1.00 43.22 H new ATOM 0 HG13 VAL A 86 2.222 8.078 5.224 1.00 43.22 H new ATOM 0 HG21 VAL A 86 1.695 6.291 2.787 1.00 11.42 H new ATOM 0 HG22 VAL A 86 3.243 6.321 3.665 1.00 11.42 H new ATOM 0 HG23 VAL A 86 2.381 4.782 3.435 1.00 11.42 H new ATOM 1447 N SER A 87 0.548 5.021 7.699 1.00 44.53 N ATOM 1448 CA SER A 87 -0.193 5.156 8.939 1.00 53.32 C ATOM 1449 C SER A 87 0.687 4.835 10.150 1.00 43.51 C ATOM 1450 O SER A 87 0.613 5.512 11.174 1.00 0.23 O ATOM 1451 CB SER A 87 -1.429 4.256 8.886 1.00 4.21 C ATOM 1452 OG SER A 87 -2.517 4.941 8.292 1.00 53.22 O ATOM 0 H SER A 87 0.190 4.294 7.080 1.00 44.53 H new ATOM 0 HA SER A 87 -0.515 6.191 9.053 1.00 53.32 H new ATOM 0 HB2 SER A 87 -1.205 3.354 8.316 1.00 4.21 H new ATOM 0 HB3 SER A 87 -1.698 3.938 9.893 1.00 4.21 H new ATOM 0 HG SER A 87 -3.195 5.131 8.973 1.00 53.22 H new ATOM 1458 N ALA A 88 1.539 3.823 10.022 1.00 53.54 N ATOM 1459 CA ALA A 88 2.485 3.489 11.084 1.00 21.55 C ATOM 1460 C ALA A 88 3.532 4.591 11.236 1.00 23.10 C ATOM 1461 O ALA A 88 4.028 4.855 12.336 1.00 43.02 O ATOM 1462 CB ALA A 88 3.159 2.153 10.802 1.00 13.04 C ATOM 0 H ALA A 88 1.595 3.222 9.199 1.00 53.54 H new ATOM 0 HA ALA A 88 1.932 3.405 12.020 1.00 21.55 H new ATOM 0 HB1 ALA A 88 3.860 1.922 11.604 1.00 13.04 H new ATOM 0 HB2 ALA A 88 2.403 1.369 10.744 1.00 13.04 H new ATOM 0 HB3 ALA A 88 3.697 2.209 9.856 1.00 13.04 H new ATOM 1468 N ALA A 89 3.853 5.230 10.118 1.00 63.55 N ATOM 1469 CA ALA A 89 4.797 6.339 10.089 1.00 23.41 C ATOM 1470 C ALA A 89 4.234 7.562 10.792 1.00 62.53 C ATOM 1471 O ALA A 89 4.979 8.447 11.200 1.00 3.44 O ATOM 1472 CB ALA A 89 5.182 6.678 8.657 1.00 12.21 C ATOM 0 H ALA A 89 3.465 4.993 9.205 1.00 63.55 H new ATOM 0 HA ALA A 89 5.693 6.027 10.626 1.00 23.41 H new ATOM 0 HB1 ALA A 89 5.888 7.509 8.657 1.00 12.21 H new ATOM 0 HB2 ALA A 89 5.645 5.809 8.189 1.00 12.21 H new ATOM 0 HB3 ALA A 89 4.290 6.960 8.097 1.00 12.21 H new ATOM 1478 N ILE A 90 2.921 7.630 10.899 1.00 71.32 N ATOM 1479 CA ILE A 90 2.287 8.738 11.587 1.00 42.53 C ATOM 1480 C ILE A 90 2.494 8.622 13.093 1.00 23.34 C ATOM 1481 O ILE A 90 2.699 9.616 13.788 1.00 1.40 O ATOM 1482 CB ILE A 90 0.771 8.797 11.290 1.00 41.43 C ATOM 1483 CG1 ILE A 90 0.524 8.858 9.784 1.00 21.40 C ATOM 1484 CG2 ILE A 90 0.130 9.994 11.984 1.00 22.01 C ATOM 1485 CD1 ILE A 90 -0.935 8.734 9.411 1.00 33.43 C ATOM 0 H ILE A 90 2.276 6.936 10.521 1.00 71.32 H new ATOM 0 HA ILE A 90 2.752 9.653 11.220 1.00 42.53 H new ATOM 0 HB ILE A 90 0.311 7.889 11.681 1.00 41.43 H new ATOM 0 HG12 ILE A 90 0.912 9.801 9.397 1.00 21.40 H new ATOM 0 HG13 ILE A 90 1.085 8.059 9.298 1.00 21.40 H new ATOM 0 HG21 ILE A 90 -0.937 10.016 11.761 1.00 22.01 H new ATOM 0 HG22 ILE A 90 0.274 9.910 13.061 1.00 22.01 H new ATOM 0 HG23 ILE A 90 0.594 10.913 11.627 1.00 22.01 H new ATOM 0 HD11 ILE A 90 -1.039 8.785 8.327 1.00 33.43 H new ATOM 0 HD12 ILE A 90 -1.322 7.780 9.768 1.00 33.43 H new ATOM 0 HD13 ILE A 90 -1.498 9.548 9.868 1.00 33.43 H new ATOM 1497 N LYS A 91 2.460 7.389 13.585 1.00 20.24 N ATOM 1498 CA LYS A 91 2.544 7.132 15.018 1.00 73.42 C ATOM 1499 C LYS A 91 3.976 7.257 15.511 1.00 31.33 C ATOM 1500 O LYS A 91 4.230 7.835 16.565 1.00 62.22 O ATOM 1501 CB LYS A 91 1.994 5.740 15.364 1.00 72.12 C ATOM 1502 CG LYS A 91 0.474 5.666 15.461 1.00 20.43 C ATOM 1503 CD LYS A 91 -0.205 6.004 14.145 1.00 1.31 C ATOM 1504 CE LYS A 91 -1.717 5.895 14.249 1.00 70.23 C ATOM 1505 NZ LYS A 91 -2.274 6.817 15.272 1.00 55.24 N ATOM 0 H LYS A 91 2.375 6.550 13.011 1.00 20.24 H new ATOM 0 HA LYS A 91 1.934 7.883 15.520 1.00 73.42 H new ATOM 0 HB2 LYS A 91 2.332 5.032 14.608 1.00 72.12 H new ATOM 0 HB3 LYS A 91 2.422 5.420 16.314 1.00 72.12 H new ATOM 0 HG2 LYS A 91 0.180 4.663 15.772 1.00 20.43 H new ATOM 0 HG3 LYS A 91 0.128 6.353 16.233 1.00 20.43 H new ATOM 0 HD2 LYS A 91 0.067 7.016 13.844 1.00 1.31 H new ATOM 0 HD3 LYS A 91 0.156 5.332 13.366 1.00 1.31 H new ATOM 0 HE2 LYS A 91 -2.164 6.117 13.280 1.00 70.23 H new ATOM 0 HE3 LYS A 91 -1.990 4.870 14.498 1.00 70.23 H new ATOM 0 HZ1 LYS A 91 -3.306 6.875 15.162 1.00 55.24 H new ATOM 0 HZ2 LYS A 91 -2.047 6.460 16.222 1.00 55.24 H new ATOM 0 HZ3 LYS A 91 -1.859 7.763 15.150 1.00 55.24 H new ATOM 1519 N LYS A 92 4.907 6.706 14.747 1.00 14.11 N ATOM 1520 CA LYS A 92 6.316 6.773 15.098 1.00 12.41 C ATOM 1521 C LYS A 92 7.170 6.852 13.835 1.00 24.11 C ATOM 1522 O LYS A 92 7.904 5.919 13.500 1.00 4.32 O ATOM 1523 CB LYS A 92 6.710 5.558 15.942 1.00 44.45 C ATOM 1524 CG LYS A 92 8.110 5.641 16.521 1.00 72.41 C ATOM 1525 CD LYS A 92 8.408 4.445 17.406 1.00 60.51 C ATOM 1526 CE LYS A 92 9.806 4.521 18.003 1.00 1.24 C ATOM 1527 NZ LYS A 92 10.006 5.752 18.813 1.00 30.22 N ATOM 0 H LYS A 92 4.711 6.207 13.879 1.00 14.11 H new ATOM 0 HA LYS A 92 6.490 7.672 15.689 1.00 12.41 H new ATOM 0 HB2 LYS A 92 5.996 5.447 16.758 1.00 44.45 H new ATOM 0 HB3 LYS A 92 6.634 4.661 15.328 1.00 44.45 H new ATOM 0 HG2 LYS A 92 8.839 5.689 15.712 1.00 72.41 H new ATOM 0 HG3 LYS A 92 8.214 6.559 17.099 1.00 72.41 H new ATOM 0 HD2 LYS A 92 7.672 4.394 18.208 1.00 60.51 H new ATOM 0 HD3 LYS A 92 8.310 3.528 16.824 1.00 60.51 H new ATOM 0 HE2 LYS A 92 9.980 3.645 18.628 1.00 1.24 H new ATOM 0 HE3 LYS A 92 10.544 4.492 17.201 1.00 1.24 H new ATOM 0 HZ1 LYS A 92 10.877 5.661 19.374 1.00 30.22 H new ATOM 0 HZ2 LYS A 92 10.085 6.574 18.181 1.00 30.22 H new ATOM 0 HZ3 LYS A 92 9.196 5.883 19.451 1.00 30.22 H new ATOM 1541 N GLY A 93 7.026 7.947 13.106 1.00 3.22 N ATOM 1542 CA GLY A 93 7.838 8.158 11.924 1.00 1.03 C ATOM 1543 C GLY A 93 8.004 9.623 11.569 1.00 11.22 C ATOM 1544 O GLY A 93 8.779 10.337 12.204 1.00 23.34 O ATOM 0 H GLY A 93 6.362 8.694 13.310 1.00 3.22 H new ATOM 0 HA2 GLY A 93 8.821 7.715 12.082 1.00 1.03 H new ATOM 0 HA3 GLY A 93 7.385 7.635 11.081 1.00 1.03 H new ATOM 1548 N TYR A 94 7.257 10.073 10.569 1.00 62.12 N ATOM 1549 CA TYR A 94 7.426 11.414 10.026 1.00 74.20 C ATOM 1550 C TYR A 94 6.088 12.021 9.626 1.00 74.31 C ATOM 1551 O TYR A 94 5.824 13.194 9.893 1.00 73.23 O ATOM 1552 CB TYR A 94 8.347 11.359 8.806 1.00 14.33 C ATOM 1553 CG TYR A 94 8.573 12.700 8.139 1.00 4.42 C ATOM 1554 CD1 TYR A 94 9.542 13.582 8.604 1.00 43.52 C ATOM 1555 CD2 TYR A 94 7.810 13.084 7.042 1.00 11.44 C ATOM 1556 CE1 TYR A 94 9.743 14.806 7.994 1.00 64.33 C ATOM 1557 CE2 TYR A 94 8.007 14.303 6.428 1.00 60.00 C ATOM 1558 CZ TYR A 94 8.971 15.161 6.906 1.00 3.25 C ATOM 1559 OH TYR A 94 9.159 16.381 6.296 1.00 71.24 O ATOM 0 H TYR A 94 6.525 9.526 10.116 1.00 62.12 H new ATOM 0 HA TYR A 94 7.868 12.042 10.800 1.00 74.20 H new ATOM 0 HB2 TYR A 94 9.310 10.950 9.110 1.00 14.33 H new ATOM 0 HB3 TYR A 94 7.924 10.669 8.076 1.00 14.33 H new ATOM 0 HD1 TYR A 94 10.147 13.306 9.455 1.00 43.52 H new ATOM 0 HD2 TYR A 94 7.050 12.416 6.664 1.00 11.44 H new ATOM 0 HE1 TYR A 94 10.500 15.481 8.366 1.00 64.33 H new ATOM 0 HE2 TYR A 94 7.407 14.583 5.575 1.00 60.00 H new ATOM 0 HH TYR A 94 8.535 16.471 5.546 1.00 71.24 H new ATOM 1569 N MET A 95 5.256 11.213 8.978 1.00 41.31 N ATOM 1570 CA MET A 95 3.991 11.681 8.443 1.00 34.11 C ATOM 1571 C MET A 95 3.083 12.147 9.562 1.00 72.25 C ATOM 1572 O MET A 95 2.598 11.350 10.352 1.00 54.51 O ATOM 1573 CB MET A 95 3.312 10.575 7.639 1.00 62.11 C ATOM 1574 CG MET A 95 4.106 10.135 6.421 1.00 43.05 C ATOM 1575 SD MET A 95 4.315 11.450 5.200 1.00 65.31 S ATOM 1576 CE MET A 95 2.650 11.586 4.559 1.00 71.13 C ATOM 0 H MET A 95 5.441 10.224 8.812 1.00 41.31 H new ATOM 0 HA MET A 95 4.188 12.524 7.781 1.00 34.11 H new ATOM 0 HB2 MET A 95 3.149 9.714 8.287 1.00 62.11 H new ATOM 0 HB3 MET A 95 2.330 10.922 7.317 1.00 62.11 H new ATOM 0 HG2 MET A 95 5.087 9.785 6.741 1.00 43.05 H new ATOM 0 HG3 MET A 95 3.603 9.289 5.953 1.00 43.05 H new ATOM 0 HE1 MET A 95 2.656 12.198 3.657 1.00 71.13 H new ATOM 0 HE2 MET A 95 2.270 10.593 4.321 1.00 71.13 H new ATOM 0 HE3 MET A 95 2.009 12.050 5.308 1.00 71.13 H new ATOM 1586 N GLU A 96 2.868 13.444 9.625 1.00 43.33 N ATOM 1587 CA GLU A 96 2.066 14.029 10.682 1.00 14.21 C ATOM 1588 C GLU A 96 0.625 14.150 10.219 1.00 62.35 C ATOM 1589 O GLU A 96 -0.314 13.914 10.981 1.00 31.32 O ATOM 1590 CB GLU A 96 2.617 15.404 11.053 1.00 62.21 C ATOM 1591 CG GLU A 96 2.058 15.963 12.348 1.00 14.21 C ATOM 1592 CD GLU A 96 2.539 17.369 12.610 1.00 74.31 C ATOM 1593 OE1 GLU A 96 3.771 17.573 12.705 1.00 14.23 O ATOM 1594 OE2 GLU A 96 1.693 18.281 12.691 1.00 21.22 O ATOM 0 H GLU A 96 3.239 14.117 8.954 1.00 43.33 H new ATOM 0 HA GLU A 96 2.105 13.387 11.562 1.00 14.21 H new ATOM 0 HB2 GLU A 96 3.702 15.339 11.135 1.00 62.21 H new ATOM 0 HB3 GLU A 96 2.400 16.102 10.244 1.00 62.21 H new ATOM 0 HG2 GLU A 96 0.969 15.954 12.307 1.00 14.21 H new ATOM 0 HG3 GLU A 96 2.351 15.319 13.177 1.00 14.21 H new ATOM 1601 N ASN A 97 0.461 14.526 8.962 1.00 62.04 N ATOM 1602 CA ASN A 97 -0.858 14.652 8.368 1.00 34.34 C ATOM 1603 C ASN A 97 -1.025 13.629 7.260 1.00 21.23 C ATOM 1604 O ASN A 97 -0.369 13.705 6.218 1.00 63.05 O ATOM 1605 CB ASN A 97 -1.087 16.069 7.839 1.00 32.52 C ATOM 1606 CG ASN A 97 -1.146 17.099 8.954 1.00 55.14 C ATOM 1607 OD1 ASN A 97 -1.724 16.726 10.088 1.00 24.32 O flip ATOM 1608 ND2 ASN A 97 -0.688 18.230 8.792 1.00 64.12 N flip ATOM 0 H ASN A 97 1.230 14.750 8.330 1.00 62.04 H new ATOM 0 HA ASN A 97 -1.606 14.461 9.137 1.00 34.34 H new ATOM 0 HB2 ASN A 97 -0.285 16.330 7.148 1.00 32.52 H new ATOM 0 HB3 ASN A 97 -2.018 16.097 7.272 1.00 32.52 H new ATOM 0 HD21 ASN A 97 -0.250 18.481 7.905 1.00 64.12 H new ATOM 0 HD22 ASN A 97 -0.746 18.916 9.544 1.00 64.12 H new ATOM 1615 N ASP A 98 -1.893 12.663 7.509 1.00 31.34 N ATOM 1616 CA ASP A 98 -2.100 11.545 6.614 1.00 42.35 C ATOM 1617 C ASP A 98 -2.825 11.973 5.343 1.00 44.35 C ATOM 1618 O ASP A 98 -3.559 12.962 5.333 1.00 51.35 O ATOM 1619 CB ASP A 98 -2.900 10.464 7.334 1.00 13.02 C ATOM 1620 CG ASP A 98 -4.102 11.022 8.058 1.00 54.03 C ATOM 1621 OD1 ASP A 98 -3.947 11.488 9.211 1.00 13.45 O ATOM 1622 OD2 ASP A 98 -5.197 11.005 7.472 1.00 43.40 O ATOM 0 H ASP A 98 -2.477 12.635 8.345 1.00 31.34 H new ATOM 0 HA ASP A 98 -1.126 11.153 6.322 1.00 42.35 H new ATOM 0 HB2 ASP A 98 -3.229 9.718 6.611 1.00 13.02 H new ATOM 0 HB3 ASP A 98 -2.254 9.953 8.048 1.00 13.02 H new ATOM 1627 N PRO A 99 -2.625 11.219 4.253 1.00 31.44 N ATOM 1628 CA PRO A 99 -3.189 11.547 2.942 1.00 2.30 C ATOM 1629 C PRO A 99 -4.712 11.409 2.882 1.00 62.30 C ATOM 1630 O PRO A 99 -5.343 11.916 1.957 1.00 64.23 O ATOM 1631 CB PRO A 99 -2.527 10.534 1.994 1.00 32.02 C ATOM 1632 CG PRO A 99 -1.400 9.932 2.767 1.00 33.12 C ATOM 1633 CD PRO A 99 -1.813 9.993 4.203 1.00 0.30 C ATOM 0 HA PRO A 99 -2.997 12.589 2.686 1.00 2.30 H new ATOM 0 HB2 PRO A 99 -3.238 9.770 1.680 1.00 32.02 H new ATOM 0 HB3 PRO A 99 -2.164 11.023 1.090 1.00 32.02 H new ATOM 0 HG2 PRO A 99 -1.218 8.903 2.456 1.00 33.12 H new ATOM 0 HG3 PRO A 99 -0.474 10.484 2.602 1.00 33.12 H new ATOM 0 HD2 PRO A 99 -2.387 9.114 4.497 1.00 0.30 H new ATOM 0 HD3 PRO A 99 -0.953 10.049 4.870 1.00 0.30 H new ATOM 1641 N PHE A 100 -5.307 10.727 3.857 1.00 51.23 N ATOM 1642 CA PHE A 100 -6.755 10.523 3.844 1.00 41.14 C ATOM 1643 C PHE A 100 -7.478 11.583 4.666 1.00 74.20 C ATOM 1644 O PHE A 100 -8.686 11.777 4.529 1.00 1.31 O ATOM 1645 CB PHE A 100 -7.131 9.106 4.293 1.00 35.45 C ATOM 1646 CG PHE A 100 -6.654 8.688 5.656 1.00 35.32 C ATOM 1647 CD1 PHE A 100 -5.415 8.088 5.814 1.00 0.13 C ATOM 1648 CD2 PHE A 100 -7.457 8.863 6.771 1.00 4.14 C ATOM 1649 CE1 PHE A 100 -4.984 7.676 7.060 1.00 31.34 C ATOM 1650 CE2 PHE A 100 -7.033 8.450 8.019 1.00 14.35 C ATOM 1651 CZ PHE A 100 -5.795 7.857 8.164 1.00 15.14 C ATOM 0 H PHE A 100 -4.821 10.313 4.653 1.00 51.23 H new ATOM 0 HA PHE A 100 -7.087 10.632 2.812 1.00 41.14 H new ATOM 0 HB2 PHE A 100 -8.217 9.017 4.269 1.00 35.45 H new ATOM 0 HB3 PHE A 100 -6.737 8.400 3.562 1.00 35.45 H new ATOM 0 HD1 PHE A 100 -4.779 7.941 4.953 1.00 0.13 H new ATOM 0 HD2 PHE A 100 -8.426 9.328 6.663 1.00 4.14 H new ATOM 0 HE1 PHE A 100 -4.015 7.213 7.171 1.00 31.34 H new ATOM 0 HE2 PHE A 100 -7.669 8.591 8.880 1.00 14.35 H new ATOM 0 HZ PHE A 100 -5.461 7.535 9.139 1.00 15.14 H new ATOM 1661 N LYS A 101 -6.732 12.271 5.508 1.00 43.21 N ATOM 1662 CA LYS A 101 -7.241 13.426 6.220 1.00 64.14 C ATOM 1663 C LYS A 101 -7.414 14.611 5.272 1.00 42.22 C ATOM 1664 O LYS A 101 -8.154 15.548 5.561 1.00 70.11 O ATOM 1665 CB LYS A 101 -6.280 13.800 7.345 1.00 22.12 C ATOM 1666 CG LYS A 101 -6.829 13.520 8.736 1.00 5.53 C ATOM 1667 CD LYS A 101 -8.101 14.306 9.002 1.00 34.41 C ATOM 1668 CE LYS A 101 -7.905 15.783 8.710 1.00 65.32 C ATOM 1669 NZ LYS A 101 -9.097 16.592 9.073 1.00 60.21 N ATOM 0 H LYS A 101 -5.759 12.046 5.717 1.00 43.21 H new ATOM 0 HA LYS A 101 -8.215 13.175 6.641 1.00 64.14 H new ATOM 0 HB2 LYS A 101 -5.349 13.249 7.214 1.00 22.12 H new ATOM 0 HB3 LYS A 101 -6.037 14.860 7.266 1.00 22.12 H new ATOM 0 HG2 LYS A 101 -7.030 12.454 8.841 1.00 5.53 H new ATOM 0 HG3 LYS A 101 -6.078 13.777 9.483 1.00 5.53 H new ATOM 0 HD2 LYS A 101 -8.909 13.915 8.384 1.00 34.41 H new ATOM 0 HD3 LYS A 101 -8.402 14.175 10.041 1.00 34.41 H new ATOM 0 HE2 LYS A 101 -7.039 16.148 9.262 1.00 65.32 H new ATOM 0 HE3 LYS A 101 -7.687 15.916 7.650 1.00 65.32 H new ATOM 0 HZ1 LYS A 101 -8.916 17.593 8.856 1.00 60.21 H new ATOM 0 HZ2 LYS A 101 -9.919 16.262 8.528 1.00 60.21 H new ATOM 0 HZ3 LYS A 101 -9.291 16.488 10.089 1.00 60.21 H new ATOM 1683 N ASP A 102 -6.717 14.561 4.145 1.00 25.01 N ATOM 1684 CA ASP A 102 -6.789 15.623 3.146 1.00 54.30 C ATOM 1685 C ASP A 102 -7.245 15.037 1.816 1.00 73.02 C ATOM 1686 O ASP A 102 -7.103 15.649 0.760 1.00 63.12 O ATOM 1687 CB ASP A 102 -5.416 16.284 3.001 1.00 33.31 C ATOM 1688 CG ASP A 102 -5.478 17.674 2.386 1.00 44.52 C ATOM 1689 OD1 ASP A 102 -6.020 18.594 3.039 1.00 64.45 O ATOM 1690 OD2 ASP A 102 -4.941 17.868 1.277 1.00 14.55 O ATOM 0 H ASP A 102 -6.092 13.794 3.897 1.00 25.01 H new ATOM 0 HA ASP A 102 -7.508 16.379 3.461 1.00 54.30 H new ATOM 0 HB2 ASP A 102 -4.947 16.349 3.983 1.00 33.31 H new ATOM 0 HB3 ASP A 102 -4.779 15.650 2.385 1.00 33.31 H new ATOM 1695 N PHE A 103 -7.826 13.849 1.895 1.00 4.15 N ATOM 1696 CA PHE A 103 -8.220 13.092 0.716 1.00 3.15 C ATOM 1697 C PHE A 103 -9.504 13.656 0.126 1.00 43.11 C ATOM 1698 O PHE A 103 -10.608 13.235 0.474 1.00 11.11 O ATOM 1699 CB PHE A 103 -8.405 11.609 1.070 1.00 71.03 C ATOM 1700 CG PHE A 103 -8.541 10.701 -0.125 1.00 21.24 C ATOM 1701 CD1 PHE A 103 -7.419 10.139 -0.713 1.00 2.12 C ATOM 1702 CD2 PHE A 103 -9.787 10.408 -0.659 1.00 21.22 C ATOM 1703 CE1 PHE A 103 -7.535 9.306 -1.808 1.00 70.22 C ATOM 1704 CE2 PHE A 103 -9.911 9.577 -1.755 1.00 43.32 C ATOM 1705 CZ PHE A 103 -8.783 9.026 -2.331 1.00 32.52 C ATOM 0 H PHE A 103 -8.037 13.383 2.777 1.00 4.15 H new ATOM 0 HA PHE A 103 -7.429 13.177 -0.029 1.00 3.15 H new ATOM 0 HB2 PHE A 103 -7.554 11.281 1.667 1.00 71.03 H new ATOM 0 HB3 PHE A 103 -9.292 11.504 1.695 1.00 71.03 H new ATOM 0 HD1 PHE A 103 -6.441 10.355 -0.309 1.00 2.12 H new ATOM 0 HD2 PHE A 103 -10.672 10.835 -0.212 1.00 21.22 H new ATOM 0 HE1 PHE A 103 -6.652 8.874 -2.255 1.00 70.22 H new ATOM 0 HE2 PHE A 103 -10.888 9.358 -2.161 1.00 43.32 H new ATOM 0 HZ PHE A 103 -8.876 8.377 -3.189 1.00 32.52 H new