USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 990 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 92 SER OG : rot 108:sc= 2.36 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 172:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 101 SER OG : rot -37:sc= 0.887 USER MOD Set 2.2: A 103 LYS NZ :NH3+ -137:sc= 0.798 (180deg=-0.0108) USER MOD Set 3.1: A 17 SER OG : rot 130:sc= 1.33 USER MOD Set 3.2: A 79 TYR OH : rot 30:sc= 1.04 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.143 K(o=-0.14,f=-4.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0049) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 159:sc= -3.43! (180deg=-4.32!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -177:sc= 0 (180deg=-0.012) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.21 USER MOD Single : A 42 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.6) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc=-0.00601 (180deg=-0.117) USER MOD Single : A 51 TYR OH : rot 49:sc= 1.13 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 1.08 K(o=1.1,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= -0.373 K(o=-0.37,f=-3.8!) USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00828 USER MOD Single : A 69 ASN : amide:sc= -0.552 K(o=-0.55,f=-5.9!) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= -0.0621 (180deg=-0.346) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.0894 (180deg=-0.482) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00419 X(o=-0.0042,f=-0.063) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 107 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.71) USER MOD Single : A 108 LYS NZ :NH3+ 147:sc= -0.313 (180deg=-0.417) USER MOD Single : A 112 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.11) USER MOD Single : A 116 LYS NZ :NH3+ 160:sc= -0.104 (180deg=-0.583) USER MOD Single : A 118 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.14) USER MOD Single : A 120 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.62) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -174:sc= -1.32 (180deg=-1.5) USER MOD Single : A 126 LYS NZ :NH3+ -165:sc= -0.0939 (180deg=-0.485) USER MOD Single : A 128 THR OG1 : rot -110:sc= -0.869 USER MOD Single : A 131 GLN : amide:sc= -3.5! X(o=-3.5!,f=-3.3) USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -17.418 6.264 2.229 1.00 0.00 N ATOM 2 CA GLY A 15 -16.960 5.484 1.053 1.00 0.00 C ATOM 3 C GLY A 15 -17.760 4.212 0.868 1.00 0.00 C ATOM 4 O GLY A 15 -18.446 3.770 1.791 1.00 0.00 O ATOM 0 HA2 GLY A 15 -17.043 6.098 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.906 5.235 1.172 1.00 0.00 H new ATOM 10 N SER A 16 -17.677 3.616 -0.315 1.00 0.00 N ATOM 11 CA SER A 16 -18.427 2.404 -0.607 1.00 0.00 C ATOM 12 C SER A 16 -17.723 1.187 -0.009 1.00 0.00 C ATOM 13 O SER A 16 -18.366 0.207 0.379 1.00 0.00 O ATOM 14 CB SER A 16 -18.602 2.232 -2.120 1.00 0.00 C ATOM 15 OG SER A 16 -19.549 1.218 -2.417 1.00 0.00 O ATOM 0 H SER A 16 -17.099 3.952 -1.085 1.00 0.00 H new ATOM 0 HA SER A 16 -19.415 2.491 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 16 -18.926 3.175 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.643 1.981 -2.573 1.00 0.00 H new ATOM 0 HG SER A 16 -19.641 1.131 -3.389 1.00 0.00 H new ATOM 21 N SER A 17 -16.403 1.262 0.072 1.00 0.00 N ATOM 22 CA SER A 17 -15.607 0.190 0.642 1.00 0.00 C ATOM 23 C SER A 17 -15.797 0.127 2.156 1.00 0.00 C ATOM 24 O SER A 17 -15.928 1.160 2.817 1.00 0.00 O ATOM 25 CB SER A 17 -14.133 0.403 0.293 1.00 0.00 C ATOM 26 OG SER A 17 -13.739 1.743 0.538 1.00 0.00 O ATOM 0 H SER A 17 -15.859 2.061 -0.253 1.00 0.00 H new ATOM 0 HA SER A 17 -15.937 -0.760 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.515 -0.275 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.965 0.157 -0.756 1.00 0.00 H new ATOM 0 HG SER A 17 -12.915 1.750 1.068 1.00 0.00 H new ATOM 32 N GLY A 18 -15.836 -1.092 2.687 1.00 0.00 N ATOM 33 CA GLY A 18 -16.013 -1.292 4.114 1.00 0.00 C ATOM 34 C GLY A 18 -14.908 -0.663 4.937 1.00 0.00 C ATOM 35 O GLY A 18 -13.827 -0.374 4.412 1.00 0.00 O ATOM 0 H GLY A 18 -15.747 -1.953 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.971 -0.871 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.053 -2.361 4.324 1.00 0.00 H new ATOM 39 N ASN A 19 -15.184 -0.461 6.224 1.00 0.00 N ATOM 40 CA ASN A 19 -14.254 0.203 7.129 1.00 0.00 C ATOM 41 C ASN A 19 -12.881 -0.442 7.087 1.00 0.00 C ATOM 42 O ASN A 19 -12.727 -1.657 7.218 1.00 0.00 O ATOM 43 CB ASN A 19 -14.773 0.183 8.571 1.00 0.00 C ATOM 44 CG ASN A 19 -16.147 0.810 8.735 1.00 0.00 C ATOM 45 OD1 ASN A 19 -17.008 0.729 7.856 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.364 1.445 9.870 1.00 0.00 N ATOM 0 H ASN A 19 -16.056 -0.753 6.666 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.171 1.236 6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.810 -0.849 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.064 0.710 9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.266 1.888 10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.629 1.493 10.576 1.00 0.00 H new ATOM 53 N PRO A 20 -11.870 0.407 6.932 1.00 0.00 N ATOM 54 CA PRO A 20 -10.470 -0.002 6.814 1.00 0.00 C ATOM 55 C PRO A 20 -9.922 -0.553 8.125 1.00 0.00 C ATOM 56 O PRO A 20 -8.892 -1.224 8.150 1.00 0.00 O ATOM 57 CB PRO A 20 -9.757 1.298 6.431 1.00 0.00 C ATOM 58 CG PRO A 20 -10.647 2.392 6.916 1.00 0.00 C ATOM 59 CD PRO A 20 -12.042 1.862 6.868 1.00 0.00 C ATOM 0 HA PRO A 20 -10.332 -0.805 6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.772 1.358 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.607 1.362 5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.380 2.687 7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.548 3.278 6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.638 2.231 7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.553 2.164 5.954 1.00 0.00 H new ATOM 67 N GLU A 21 -10.641 -0.280 9.204 1.00 0.00 N ATOM 68 CA GLU A 21 -10.223 -0.678 10.541 1.00 0.00 C ATOM 69 C GLU A 21 -10.437 -2.169 10.744 1.00 0.00 C ATOM 70 O GLU A 21 -9.727 -2.812 11.514 1.00 0.00 O ATOM 71 CB GLU A 21 -11.028 0.089 11.585 1.00 0.00 C ATOM 72 CG GLU A 21 -11.275 1.537 11.212 1.00 0.00 C ATOM 73 CD GLU A 21 -12.192 2.232 12.191 1.00 0.00 C ATOM 74 OE1 GLU A 21 -13.412 1.973 12.150 1.00 0.00 O ATOM 75 OE2 GLU A 21 -11.697 3.027 13.021 1.00 0.00 O ATOM 0 H GLU A 21 -11.528 0.222 9.178 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.163 -0.451 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.986 -0.409 11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.501 0.052 12.538 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.323 2.067 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.710 1.584 10.214 1.00 0.00 H new ATOM 82 N ASP A 22 -11.426 -2.711 10.045 1.00 0.00 N ATOM 83 CA ASP A 22 -11.786 -4.120 10.191 1.00 0.00 C ATOM 84 C ASP A 22 -10.878 -5.008 9.338 1.00 0.00 C ATOM 85 O ASP A 22 -10.917 -6.235 9.431 1.00 0.00 O ATOM 86 CB ASP A 22 -13.258 -4.339 9.823 1.00 0.00 C ATOM 87 CG ASP A 22 -13.737 -5.749 10.122 1.00 0.00 C ATOM 88 OD1 ASP A 22 -13.609 -6.195 11.284 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.265 -6.413 9.206 1.00 0.00 O ATOM 0 H ASP A 22 -11.995 -2.198 9.371 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.646 -4.400 11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.875 -3.627 10.372 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.397 -4.130 8.762 1.00 0.00 H new ATOM 94 N PHE A 23 -10.051 -4.377 8.514 1.00 0.00 N ATOM 95 CA PHE A 23 -9.060 -5.098 7.736 1.00 0.00 C ATOM 96 C PHE A 23 -7.938 -5.564 8.651 1.00 0.00 C ATOM 97 O PHE A 23 -7.589 -4.889 9.617 1.00 0.00 O ATOM 98 CB PHE A 23 -8.482 -4.209 6.628 1.00 0.00 C ATOM 99 CG PHE A 23 -9.382 -4.038 5.437 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.481 -3.198 5.489 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.116 -4.713 4.256 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.298 -3.034 4.388 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.929 -4.553 3.151 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.022 -3.712 3.217 1.00 0.00 C ATOM 0 H PHE A 23 -10.049 -3.367 8.369 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.543 -5.958 7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.261 -3.227 7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.535 -4.634 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.702 -2.665 6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.262 -5.372 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.152 -2.376 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.710 -5.085 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.660 -3.585 2.355 1.00 0.00 H new ATOM 114 N LYS A 24 -7.374 -6.713 8.338 1.00 0.00 N ATOM 115 CA LYS A 24 -6.298 -7.277 9.133 1.00 0.00 C ATOM 116 C LYS A 24 -5.001 -6.565 8.788 1.00 0.00 C ATOM 117 O LYS A 24 -4.054 -6.540 9.573 1.00 0.00 O ATOM 118 CB LYS A 24 -6.180 -8.779 8.882 1.00 0.00 C ATOM 119 CG LYS A 24 -5.383 -9.494 9.947 1.00 0.00 C ATOM 120 CD LYS A 24 -5.443 -10.999 9.768 1.00 0.00 C ATOM 121 CE LYS A 24 -4.534 -11.709 10.754 1.00 0.00 C ATOM 122 NZ LYS A 24 -4.596 -13.185 10.603 1.00 0.00 N ATOM 0 H LYS A 24 -7.644 -7.279 7.534 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.512 -7.135 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.179 -9.213 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.710 -8.944 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.345 -9.163 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.768 -9.228 10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.469 -11.343 9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.152 -11.258 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.508 -11.372 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.818 -11.436 11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.961 -13.632 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.570 -13.510 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.301 -13.448 9.641 1.00 0.00 H new ATOM 136 N VAL A 25 -4.987 -5.962 7.607 1.00 0.00 N ATOM 137 CA VAL A 25 -3.864 -5.158 7.166 1.00 0.00 C ATOM 138 C VAL A 25 -3.806 -3.846 7.939 1.00 0.00 C ATOM 139 O VAL A 25 -2.805 -3.152 7.895 1.00 0.00 O ATOM 140 CB VAL A 25 -3.951 -4.853 5.656 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.512 -6.042 4.905 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.777 -3.606 5.381 1.00 0.00 C ATOM 0 H VAL A 25 -5.751 -6.018 6.934 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.958 -5.734 7.357 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.939 -4.661 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.566 -5.808 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.864 -6.905 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.511 -6.269 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.815 -3.424 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.789 -3.749 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.320 -2.750 5.878 1.00 0.00 H new ATOM 152 N PHE A 26 -4.881 -3.510 8.648 1.00 0.00 N ATOM 153 CA PHE A 26 -4.924 -2.271 9.412 1.00 0.00 C ATOM 154 C PHE A 26 -3.760 -2.220 10.395 1.00 0.00 C ATOM 155 O PHE A 26 -2.926 -1.325 10.331 1.00 0.00 O ATOM 156 CB PHE A 26 -6.255 -2.142 10.155 1.00 0.00 C ATOM 157 CG PHE A 26 -6.418 -0.837 10.880 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.782 0.311 10.193 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.213 -0.760 12.247 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.937 1.512 10.857 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.367 0.440 12.916 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.729 1.577 12.219 1.00 0.00 C ATOM 0 H PHE A 26 -5.728 -4.076 8.708 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.836 -1.434 8.720 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.071 -2.256 9.442 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.342 -2.959 10.872 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.946 0.266 9.127 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.930 -1.646 12.796 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.221 2.399 10.310 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.205 0.489 13.983 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.849 2.515 12.740 1.00 0.00 H new ATOM 172 N LYS A 27 -3.688 -3.213 11.272 1.00 0.00 N ATOM 173 CA LYS A 27 -2.610 -3.305 12.249 1.00 0.00 C ATOM 174 C LYS A 27 -1.273 -3.504 11.550 1.00 0.00 C ATOM 175 O LYS A 27 -0.272 -2.882 11.902 1.00 0.00 O ATOM 176 CB LYS A 27 -2.875 -4.485 13.183 1.00 0.00 C ATOM 177 CG LYS A 27 -3.138 -4.130 14.636 1.00 0.00 C ATOM 178 CD LYS A 27 -1.860 -3.841 15.403 1.00 0.00 C ATOM 179 CE LYS A 27 -1.279 -2.503 15.021 1.00 0.00 C ATOM 180 NZ LYS A 27 -0.250 -2.051 15.992 1.00 0.00 N ATOM 0 H LYS A 27 -4.368 -3.971 11.327 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.572 -2.378 12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.733 -5.040 12.803 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.017 -5.157 13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.791 -3.258 14.682 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.669 -4.951 15.117 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.065 -3.858 16.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.130 -4.626 15.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.837 -2.569 14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.077 -1.763 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.138 -1.136 15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.682 -1.947 16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.516 -2.753 16.038 1.00 0.00 H new ATOM 194 N TYR A 28 -1.281 -4.363 10.544 1.00 0.00 N ATOM 195 CA TYR A 28 -0.067 -4.737 9.838 1.00 0.00 C ATOM 196 C TYR A 28 0.549 -3.569 9.069 1.00 0.00 C ATOM 197 O TYR A 28 1.762 -3.389 9.077 1.00 0.00 O ATOM 198 CB TYR A 28 -0.355 -5.904 8.899 1.00 0.00 C ATOM 199 CG TYR A 28 -0.261 -7.254 9.570 1.00 0.00 C ATOM 200 CD1 TYR A 28 0.947 -7.707 10.076 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.368 -8.079 9.682 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.054 -8.940 10.675 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.272 -9.317 10.285 1.00 0.00 C ATOM 204 CZ TYR A 28 -0.059 -9.745 10.779 1.00 0.00 C ATOM 205 OH TYR A 28 0.041 -10.983 11.374 1.00 0.00 O ATOM 0 H TYR A 28 -2.124 -4.818 10.195 1.00 0.00 H new ATOM 0 HA TYR A 28 0.666 -5.040 10.585 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.354 -5.784 8.479 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.347 -5.871 8.066 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.822 -7.079 9.998 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.320 -7.749 9.292 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.005 -9.275 11.062 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.145 -9.948 10.369 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.836 -11.421 11.367 1.00 0.00 H new ATOM 215 N MET A 29 -0.275 -2.775 8.407 1.00 0.00 N ATOM 216 CA MET A 29 0.225 -1.627 7.665 1.00 0.00 C ATOM 217 C MET A 29 0.489 -0.461 8.608 1.00 0.00 C ATOM 218 O MET A 29 1.307 0.410 8.317 1.00 0.00 O ATOM 219 CB MET A 29 -0.742 -1.217 6.552 1.00 0.00 C ATOM 220 CG MET A 29 -1.028 -2.340 5.565 1.00 0.00 C ATOM 221 SD MET A 29 -1.895 -1.781 4.091 1.00 0.00 S ATOM 222 CE MET A 29 -0.640 -0.743 3.353 1.00 0.00 C ATOM 0 H MET A 29 -1.286 -2.901 8.367 1.00 0.00 H new ATOM 0 HA MET A 29 1.165 -1.914 7.194 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.680 -0.886 6.998 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.326 -0.365 6.014 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.087 -2.806 5.271 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.623 -3.108 6.060 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.848 -0.621 2.290 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.644 0.233 3.838 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.338 -1.208 3.480 1.00 0.00 H new ATOM 232 N LYS A 30 -0.194 -0.455 9.746 1.00 0.00 N ATOM 233 CA LYS A 30 0.076 0.528 10.786 1.00 0.00 C ATOM 234 C LYS A 30 1.461 0.311 11.378 1.00 0.00 C ATOM 235 O LYS A 30 2.194 1.268 11.629 1.00 0.00 O ATOM 236 CB LYS A 30 -0.988 0.470 11.885 1.00 0.00 C ATOM 237 CG LYS A 30 -2.206 1.329 11.592 1.00 0.00 C ATOM 238 CD LYS A 30 -1.853 2.807 11.576 1.00 0.00 C ATOM 239 CE LYS A 30 -3.032 3.653 11.136 1.00 0.00 C ATOM 240 NZ LYS A 30 -2.705 5.103 11.124 1.00 0.00 N ATOM 0 H LYS A 30 -0.936 -1.117 9.971 1.00 0.00 H new ATOM 0 HA LYS A 30 0.042 1.518 10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.306 -0.564 12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.544 0.791 12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.630 1.045 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.972 1.145 12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.532 3.117 12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.012 2.974 10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.347 3.344 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.874 3.477 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.538 5.644 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.429 5.405 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.919 5.276 10.466 1.00 0.00 H new ATOM 254 N ILE A 31 1.824 -0.946 11.600 1.00 0.00 N ATOM 255 CA ILE A 31 3.153 -1.254 12.102 1.00 0.00 C ATOM 256 C ILE A 31 4.170 -1.194 10.969 1.00 0.00 C ATOM 257 O ILE A 31 5.338 -0.941 11.206 1.00 0.00 O ATOM 258 CB ILE A 31 3.222 -2.626 12.812 1.00 0.00 C ATOM 259 CG1 ILE A 31 2.990 -3.769 11.820 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.214 -2.679 13.950 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.684 -5.098 12.478 1.00 0.00 C ATOM 0 H ILE A 31 1.225 -1.757 11.443 1.00 0.00 H new ATOM 0 HA ILE A 31 3.393 -0.499 12.850 1.00 0.00 H new ATOM 0 HB ILE A 31 4.221 -2.749 13.230 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.164 -3.503 11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.876 -3.880 11.194 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.272 -3.650 14.442 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.437 -1.893 14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.209 -2.533 13.553 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.532 -5.857 11.711 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.518 -5.389 13.116 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.781 -5.006 13.081 1.00 0.00 H new ATOM 273 N LEU A 32 3.713 -1.421 9.737 1.00 0.00 N ATOM 274 CA LEU A 32 4.541 -1.200 8.553 1.00 0.00 C ATOM 275 C LEU A 32 5.053 0.232 8.577 1.00 0.00 C ATOM 276 O LEU A 32 6.254 0.482 8.456 1.00 0.00 O ATOM 277 CB LEU A 32 3.712 -1.455 7.281 1.00 0.00 C ATOM 278 CG LEU A 32 4.474 -1.513 5.944 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.560 -2.043 4.853 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.006 -0.143 5.537 1.00 0.00 C ATOM 0 H LEU A 32 2.772 -1.758 9.534 1.00 0.00 H new ATOM 0 HA LEU A 32 5.387 -1.888 8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.180 -2.398 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.958 -0.671 7.206 1.00 0.00 H new ATOM 0 HG LEU A 32 5.325 -2.181 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.104 -2.082 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.220 -3.044 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.698 -1.384 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.537 -0.226 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.174 0.552 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.688 0.225 6.304 1.00 0.00 H new ATOM 292 N GLU A 33 4.112 1.155 8.750 1.00 0.00 N ATOM 293 CA GLU A 33 4.393 2.576 8.850 1.00 0.00 C ATOM 294 C GLU A 33 5.542 2.838 9.817 1.00 0.00 C ATOM 295 O GLU A 33 6.538 3.462 9.462 1.00 0.00 O ATOM 296 CB GLU A 33 3.127 3.280 9.333 1.00 0.00 C ATOM 297 CG GLU A 33 2.915 4.653 8.737 1.00 0.00 C ATOM 298 CD GLU A 33 3.813 5.715 9.341 1.00 0.00 C ATOM 299 OE1 GLU A 33 3.432 6.294 10.384 1.00 0.00 O ATOM 300 OE2 GLU A 33 4.893 5.984 8.784 1.00 0.00 O ATOM 0 H GLU A 33 3.120 0.930 8.825 1.00 0.00 H new ATOM 0 HA GLU A 33 4.691 2.959 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.265 2.656 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.166 3.370 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.092 4.606 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.874 4.945 8.876 1.00 0.00 H new ATOM 307 N GLU A 34 5.409 2.322 11.029 1.00 0.00 N ATOM 308 CA GLU A 34 6.382 2.580 12.076 1.00 0.00 C ATOM 309 C GLU A 34 7.671 1.801 11.838 1.00 0.00 C ATOM 310 O GLU A 34 8.765 2.315 12.051 1.00 0.00 O ATOM 311 CB GLU A 34 5.780 2.235 13.436 1.00 0.00 C ATOM 312 CG GLU A 34 5.844 0.769 13.787 1.00 0.00 C ATOM 313 CD GLU A 34 5.092 0.437 15.058 1.00 0.00 C ATOM 314 OE1 GLU A 34 3.880 0.161 14.984 1.00 0.00 O ATOM 315 OE2 GLU A 34 5.710 0.466 16.141 1.00 0.00 O ATOM 0 H GLU A 34 4.635 1.721 11.311 1.00 0.00 H new ATOM 0 HA GLU A 34 6.636 3.640 12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.300 2.804 14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.738 2.556 13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.433 0.185 12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.887 0.472 13.899 1.00 0.00 H new ATOM 322 N ALA A 35 7.517 0.568 11.379 1.00 0.00 N ATOM 323 CA ALA A 35 8.635 -0.358 11.196 1.00 0.00 C ATOM 324 C ALA A 35 9.604 0.098 10.110 1.00 0.00 C ATOM 325 O ALA A 35 10.815 -0.080 10.245 1.00 0.00 O ATOM 326 CB ALA A 35 8.124 -1.757 10.882 1.00 0.00 C ATOM 0 H ALA A 35 6.611 0.176 11.121 1.00 0.00 H new ATOM 0 HA ALA A 35 9.186 -0.373 12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.970 -2.432 10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.503 -2.111 11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.533 -1.731 9.967 1.00 0.00 H new ATOM 332 N MET A 36 9.077 0.676 9.040 1.00 0.00 N ATOM 333 CA MET A 36 9.907 1.148 7.941 1.00 0.00 C ATOM 334 C MET A 36 10.929 2.178 8.413 1.00 0.00 C ATOM 335 O MET A 36 12.102 2.115 8.041 1.00 0.00 O ATOM 336 CB MET A 36 9.023 1.723 6.842 1.00 0.00 C ATOM 337 CG MET A 36 8.305 0.656 6.043 1.00 0.00 C ATOM 338 SD MET A 36 9.424 -0.275 4.975 1.00 0.00 S ATOM 339 CE MET A 36 8.277 -1.378 4.153 1.00 0.00 C ATOM 0 H MET A 36 8.077 0.830 8.910 1.00 0.00 H new ATOM 0 HA MET A 36 10.466 0.301 7.543 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.287 2.392 7.288 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.634 2.324 6.169 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.804 -0.030 6.726 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.530 1.122 5.434 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.828 -2.054 3.499 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.732 -1.958 4.898 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.572 -0.794 3.561 1.00 0.00 H new ATOM 349 N GLU A 37 10.491 3.115 9.241 1.00 0.00 N ATOM 350 CA GLU A 37 11.396 4.118 9.789 1.00 0.00 C ATOM 351 C GLU A 37 11.981 3.644 11.122 1.00 0.00 C ATOM 352 O GLU A 37 12.881 4.273 11.677 1.00 0.00 O ATOM 353 CB GLU A 37 10.675 5.457 9.967 1.00 0.00 C ATOM 354 CG GLU A 37 11.614 6.618 10.250 1.00 0.00 C ATOM 355 CD GLU A 37 10.884 7.931 10.429 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.483 8.244 11.571 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.715 8.665 9.435 1.00 0.00 O ATOM 0 H GLU A 37 9.522 3.203 9.547 1.00 0.00 H new ATOM 0 HA GLU A 37 12.215 4.260 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.102 5.675 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.961 5.370 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.191 6.402 11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.326 6.712 9.430 1.00 0.00 H new ATOM 364 N ASN A 38 11.468 2.526 11.627 1.00 0.00 N ATOM 365 CA ASN A 38 11.915 1.981 12.909 1.00 0.00 C ATOM 366 C ASN A 38 13.370 1.552 12.821 1.00 0.00 C ATOM 367 O ASN A 38 14.124 1.676 13.789 1.00 0.00 O ATOM 368 CB ASN A 38 11.051 0.785 13.328 1.00 0.00 C ATOM 369 CG ASN A 38 11.350 0.311 14.739 1.00 0.00 C ATOM 370 OD1 ASN A 38 12.209 -0.545 14.951 1.00 0.00 O ATOM 371 ND2 ASN A 38 10.635 0.854 15.714 1.00 0.00 N ATOM 0 H ASN A 38 10.741 1.977 11.168 1.00 0.00 H new ATOM 0 HA ASN A 38 11.814 2.765 13.660 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.999 1.060 13.257 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.213 -0.037 12.631 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.788 0.565 16.680 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.932 1.561 15.498 1.00 0.00 H new ATOM 378 N ASP A 39 13.759 1.057 11.651 1.00 0.00 N ATOM 379 CA ASP A 39 15.129 0.632 11.420 1.00 0.00 C ATOM 380 C ASP A 39 16.067 1.814 11.595 1.00 0.00 C ATOM 381 O ASP A 39 15.823 2.901 11.068 1.00 0.00 O ATOM 382 CB ASP A 39 15.292 0.047 10.015 1.00 0.00 C ATOM 383 CG ASP A 39 16.661 -0.573 9.813 1.00 0.00 C ATOM 384 OD1 ASP A 39 17.630 0.170 9.558 1.00 0.00 O ATOM 385 OD2 ASP A 39 16.778 -1.811 9.931 1.00 0.00 O ATOM 0 H ASP A 39 13.141 0.941 10.848 1.00 0.00 H new ATOM 0 HA ASP A 39 15.376 -0.144 12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.524 -0.707 9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.137 0.832 9.275 1.00 0.00 H new ATOM 390 N THR A 40 17.128 1.589 12.349 1.00 0.00 N ATOM 391 CA THR A 40 18.075 2.632 12.707 1.00 0.00 C ATOM 392 C THR A 40 18.743 3.257 11.486 1.00 0.00 C ATOM 393 O THR A 40 19.213 4.392 11.543 1.00 0.00 O ATOM 394 CB THR A 40 19.150 2.059 13.638 1.00 0.00 C ATOM 395 OG1 THR A 40 18.839 0.689 13.945 1.00 0.00 O ATOM 396 CG2 THR A 40 19.229 2.860 14.922 1.00 0.00 C ATOM 0 H THR A 40 17.359 0.673 12.733 1.00 0.00 H new ATOM 0 HA THR A 40 17.513 3.417 13.213 1.00 0.00 H new ATOM 0 HB THR A 40 20.114 2.115 13.133 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.527 0.322 14.539 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.998 2.437 15.568 1.00 0.00 H new ATOM 0 HG22 THR A 40 19.480 3.895 14.690 1.00 0.00 H new ATOM 0 HG23 THR A 40 18.266 2.825 15.432 1.00 0.00 H new ATOM 404 N GLU A 41 18.804 2.511 10.395 1.00 0.00 N ATOM 405 CA GLU A 41 19.411 3.003 9.167 1.00 0.00 C ATOM 406 C GLU A 41 18.357 3.426 8.152 1.00 0.00 C ATOM 407 O GLU A 41 18.695 3.669 6.994 1.00 0.00 O ATOM 408 CB GLU A 41 20.313 1.934 8.559 1.00 0.00 C ATOM 409 CG GLU A 41 21.510 1.588 9.422 1.00 0.00 C ATOM 410 CD GLU A 41 22.349 0.489 8.817 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.064 -0.699 9.080 1.00 0.00 O ATOM 412 OE2 GLU A 41 23.296 0.805 8.069 1.00 0.00 O ATOM 0 H GLU A 41 18.440 1.560 10.334 1.00 0.00 H new ATOM 0 HA GLU A 41 20.007 3.879 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.727 1.031 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.664 2.277 7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 41 22.125 2.477 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.167 1.279 10.410 1.00 0.00 H new ATOM 419 N ASN A 42 17.091 3.500 8.607 1.00 0.00 N ATOM 420 CA ASN A 42 15.940 3.929 7.796 1.00 0.00 C ATOM 421 C ASN A 42 16.107 3.572 6.321 1.00 0.00 C ATOM 422 O ASN A 42 16.282 4.433 5.457 1.00 0.00 O ATOM 423 CB ASN A 42 15.609 5.426 8.013 1.00 0.00 C ATOM 424 CG ASN A 42 16.774 6.391 7.800 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.662 6.170 6.982 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.771 7.484 8.548 1.00 0.00 N ATOM 0 H ASN A 42 16.838 3.259 9.565 1.00 0.00 H new ATOM 0 HA ASN A 42 15.075 3.366 8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.801 5.704 7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.234 5.554 9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.520 8.169 8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.019 7.640 9.219 1.00 0.00 H new ATOM 433 N LEU A 43 16.015 2.271 6.051 1.00 0.00 N ATOM 434 CA LEU A 43 16.267 1.707 4.724 1.00 0.00 C ATOM 435 C LEU A 43 15.280 2.227 3.681 1.00 0.00 C ATOM 436 O LEU A 43 15.390 1.898 2.496 1.00 0.00 O ATOM 437 CB LEU A 43 16.182 0.180 4.789 1.00 0.00 C ATOM 438 CG LEU A 43 17.078 -0.481 5.839 1.00 0.00 C ATOM 439 CD1 LEU A 43 16.822 -1.978 5.886 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.546 -0.198 5.553 1.00 0.00 C ATOM 0 H LEU A 43 15.762 1.573 6.751 1.00 0.00 H new ATOM 0 HA LEU A 43 17.266 2.018 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.148 -0.102 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.439 -0.224 3.810 1.00 0.00 H new ATOM 0 HG LEU A 43 16.835 -0.057 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.467 -2.434 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.779 -2.161 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.037 -2.415 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.164 -0.678 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.808 -0.591 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.719 0.878 5.571 1.00 0.00 H new ATOM 452 N ILE A 44 14.331 3.041 4.122 1.00 0.00 N ATOM 453 CA ILE A 44 13.334 3.619 3.228 1.00 0.00 C ATOM 454 C ILE A 44 14.006 4.542 2.210 1.00 0.00 C ATOM 455 O ILE A 44 13.522 4.721 1.093 1.00 0.00 O ATOM 456 CB ILE A 44 12.268 4.414 4.014 1.00 0.00 C ATOM 457 CG1 ILE A 44 11.013 4.587 3.161 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.809 5.774 4.449 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.172 3.334 3.053 1.00 0.00 C ATOM 0 H ILE A 44 14.229 3.318 5.098 1.00 0.00 H new ATOM 0 HA ILE A 44 12.841 2.797 2.708 1.00 0.00 H new ATOM 0 HB ILE A 44 12.012 3.852 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.405 5.387 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.306 4.904 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.038 6.313 5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.680 5.631 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.095 6.350 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.299 3.534 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.763 2.537 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.848 3.027 4.047 1.00 0.00 H new ATOM 471 N GLU A 45 15.143 5.102 2.608 1.00 0.00 N ATOM 472 CA GLU A 45 15.887 6.046 1.784 1.00 0.00 C ATOM 473 C GLU A 45 16.388 5.390 0.500 1.00 0.00 C ATOM 474 O GLU A 45 16.594 6.057 -0.515 1.00 0.00 O ATOM 475 CB GLU A 45 17.066 6.587 2.587 1.00 0.00 C ATOM 476 CG GLU A 45 16.656 7.390 3.810 1.00 0.00 C ATOM 477 CD GLU A 45 16.028 8.717 3.456 1.00 0.00 C ATOM 478 OE1 GLU A 45 14.795 8.773 3.271 1.00 0.00 O ATOM 479 OE2 GLU A 45 16.769 9.723 3.365 1.00 0.00 O ATOM 0 H GLU A 45 15.575 4.913 3.513 1.00 0.00 H new ATOM 0 HA GLU A 45 15.221 6.861 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.691 5.752 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.677 7.215 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.951 6.806 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.532 7.563 4.436 1.00 0.00 H new ATOM 486 N LYS A 46 16.564 4.077 0.548 1.00 0.00 N ATOM 487 CA LYS A 46 17.097 3.332 -0.584 1.00 0.00 C ATOM 488 C LYS A 46 16.006 3.029 -1.607 1.00 0.00 C ATOM 489 O LYS A 46 16.289 2.750 -2.772 1.00 0.00 O ATOM 490 CB LYS A 46 17.729 2.033 -0.094 1.00 0.00 C ATOM 491 CG LYS A 46 18.912 2.262 0.822 1.00 0.00 C ATOM 492 CD LYS A 46 19.282 1.004 1.590 1.00 0.00 C ATOM 493 CE LYS A 46 20.431 1.254 2.553 1.00 0.00 C ATOM 494 NZ LYS A 46 21.675 1.659 1.847 1.00 0.00 N ATOM 0 H LYS A 46 16.344 3.504 1.362 1.00 0.00 H new ATOM 0 HA LYS A 46 17.856 3.945 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.977 1.445 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.050 1.444 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.768 2.594 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.678 3.062 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.414 0.646 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.559 0.217 0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.147 2.032 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.621 0.350 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.471 1.655 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.869 0.991 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.557 2.615 1.456 1.00 0.00 H new ATOM 508 N VAL A 47 14.760 3.097 -1.163 1.00 0.00 N ATOM 509 CA VAL A 47 13.624 2.747 -2.005 1.00 0.00 C ATOM 510 C VAL A 47 12.560 3.828 -1.993 1.00 0.00 C ATOM 511 O VAL A 47 11.368 3.525 -2.082 1.00 0.00 O ATOM 512 CB VAL A 47 12.984 1.408 -1.590 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.746 0.250 -2.193 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.928 1.266 -0.076 1.00 0.00 C ATOM 0 H VAL A 47 14.508 3.393 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 47 14.022 2.648 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 47 11.962 1.397 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 47 13.281 -0.688 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.729 0.330 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 47 14.778 0.273 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.471 0.311 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 47 13.938 1.307 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.334 2.078 0.344 1.00 0.00 H new ATOM 524 N ARG A 48 12.988 5.081 -1.855 1.00 0.00 N ATOM 525 CA ARG A 48 12.061 6.204 -1.860 1.00 0.00 C ATOM 526 C ARG A 48 11.115 6.124 -3.043 1.00 0.00 C ATOM 527 O ARG A 48 11.513 6.258 -4.203 1.00 0.00 O ATOM 528 CB ARG A 48 12.795 7.541 -1.861 1.00 0.00 C ATOM 529 CG ARG A 48 13.270 7.957 -0.484 1.00 0.00 C ATOM 530 CD ARG A 48 13.687 9.420 -0.463 1.00 0.00 C ATOM 531 NE ARG A 48 14.064 9.867 0.877 1.00 0.00 N ATOM 532 CZ ARG A 48 14.133 11.145 1.246 1.00 0.00 C ATOM 533 NH1 ARG A 48 13.871 12.108 0.376 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.467 11.454 2.490 1.00 0.00 N ATOM 0 H ARG A 48 13.967 5.341 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 48 11.477 6.142 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.652 7.478 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.135 8.311 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.474 7.793 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.111 7.332 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.526 9.567 -1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.867 10.035 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 48 14.288 9.156 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.615 11.873 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.926 13.085 0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.670 10.714 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.521 12.432 2.776 1.00 0.00 H new ATOM 548 N GLY A 49 9.863 5.888 -2.724 1.00 0.00 N ATOM 549 CA GLY A 49 8.849 5.678 -3.728 1.00 0.00 C ATOM 550 C GLY A 49 7.498 5.471 -3.087 1.00 0.00 C ATOM 551 O GLY A 49 7.417 5.179 -1.899 1.00 0.00 O ATOM 0 H GLY A 49 9.521 5.837 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.811 6.536 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.106 4.810 -4.335 1.00 0.00 H new ATOM 555 N ILE A 50 6.439 5.637 -3.847 1.00 0.00 N ATOM 556 CA ILE A 50 5.102 5.479 -3.305 1.00 0.00 C ATOM 557 C ILE A 50 4.566 4.084 -3.584 1.00 0.00 C ATOM 558 O ILE A 50 4.567 3.621 -4.723 1.00 0.00 O ATOM 559 CB ILE A 50 4.145 6.542 -3.876 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.658 7.936 -3.518 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.728 6.332 -3.356 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.801 9.064 -4.044 1.00 0.00 C ATOM 0 H ILE A 50 6.473 5.880 -4.837 1.00 0.00 H new ATOM 0 HA ILE A 50 5.163 5.617 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 50 4.114 6.445 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.724 8.020 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.669 8.050 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.071 7.095 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.374 5.345 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.725 6.406 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.234 10.019 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.755 9.009 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.795 8.978 -3.634 1.00 0.00 H new ATOM 574 N TYR A 51 4.125 3.417 -2.533 1.00 0.00 N ATOM 575 CA TYR A 51 3.602 2.068 -2.649 1.00 0.00 C ATOM 576 C TYR A 51 2.086 2.091 -2.507 1.00 0.00 C ATOM 577 O TYR A 51 1.561 2.514 -1.480 1.00 0.00 O ATOM 578 CB TYR A 51 4.201 1.154 -1.573 1.00 0.00 C ATOM 579 CG TYR A 51 5.681 1.363 -1.316 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.617 1.234 -2.330 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.139 1.690 -0.046 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.964 1.424 -2.087 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.483 1.880 0.205 1.00 0.00 C ATOM 584 CZ TYR A 51 8.390 1.745 -0.818 1.00 0.00 C ATOM 585 OH TYR A 51 9.729 1.930 -0.569 1.00 0.00 O ATOM 0 H TYR A 51 4.119 3.790 -1.584 1.00 0.00 H new ATOM 0 HA TYR A 51 3.876 1.678 -3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.659 1.310 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.040 0.117 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.288 0.981 -3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.429 1.798 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.680 1.321 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.819 2.133 1.200 1.00 0.00 H new ATOM 0 HH TYR A 51 10.105 2.538 -1.239 1.00 0.00 H new ATOM 595 N GLY A 52 1.385 1.660 -3.536 1.00 0.00 N ATOM 596 CA GLY A 52 -0.058 1.603 -3.469 1.00 0.00 C ATOM 597 C GLY A 52 -0.540 0.199 -3.187 1.00 0.00 C ATOM 598 O GLY A 52 -0.351 -0.701 -4.000 1.00 0.00 O ATOM 0 H GLY A 52 1.787 1.347 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.415 2.276 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.482 1.953 -4.410 1.00 0.00 H new ATOM 602 N PHE A 53 -1.140 -0.002 -2.031 1.00 0.00 N ATOM 603 CA PHE A 53 -1.617 -1.325 -1.655 1.00 0.00 C ATOM 604 C PHE A 53 -3.117 -1.460 -1.858 1.00 0.00 C ATOM 605 O PHE A 53 -3.913 -0.843 -1.150 1.00 0.00 O ATOM 606 CB PHE A 53 -1.249 -1.646 -0.208 1.00 0.00 C ATOM 607 CG PHE A 53 0.025 -2.433 -0.075 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.255 -1.837 -0.300 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.011 -3.773 0.278 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.426 -2.561 -0.175 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.155 -4.504 0.404 1.00 0.00 C ATOM 612 CZ PHE A 53 2.375 -3.896 0.178 1.00 0.00 C ATOM 0 H PHE A 53 -1.310 0.726 -1.337 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.124 -2.044 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.151 -0.714 0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.063 -2.207 0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.300 -0.794 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.962 -4.252 0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.379 -2.084 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.113 -5.548 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.288 -4.464 0.277 1.00 0.00 H new ATOM 622 N LYS A 54 -3.484 -2.265 -2.842 1.00 0.00 N ATOM 623 CA LYS A 54 -4.875 -2.596 -3.099 1.00 0.00 C ATOM 624 C LYS A 54 -5.222 -3.897 -2.390 1.00 0.00 C ATOM 625 O LYS A 54 -4.906 -4.985 -2.878 1.00 0.00 O ATOM 626 CB LYS A 54 -5.125 -2.739 -4.603 1.00 0.00 C ATOM 627 CG LYS A 54 -5.181 -1.427 -5.362 1.00 0.00 C ATOM 628 CD LYS A 54 -5.464 -1.674 -6.834 1.00 0.00 C ATOM 629 CE LYS A 54 -5.575 -0.376 -7.612 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.848 -0.619 -9.051 1.00 0.00 N ATOM 0 H LYS A 54 -2.826 -2.707 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.507 -1.792 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.337 -3.358 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.065 -3.271 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.956 -0.788 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.236 -0.896 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.669 -2.286 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.390 -2.239 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.372 0.235 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.650 0.191 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.917 0.291 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.075 -1.181 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.744 -1.138 -9.152 1.00 0.00 H new ATOM 644 N VAL A 55 -5.861 -3.783 -1.240 1.00 0.00 N ATOM 645 CA VAL A 55 -6.146 -4.941 -0.411 1.00 0.00 C ATOM 646 C VAL A 55 -7.590 -5.388 -0.582 1.00 0.00 C ATOM 647 O VAL A 55 -8.521 -4.692 -0.181 1.00 0.00 O ATOM 648 CB VAL A 55 -5.885 -4.648 1.076 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.979 -5.924 1.889 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.528 -3.988 1.268 1.00 0.00 C ATOM 0 H VAL A 55 -6.193 -2.898 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.477 -5.737 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.649 -3.955 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.792 -5.701 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.976 -6.352 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.237 -6.638 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.366 -3.791 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.745 -4.651 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.499 -3.049 0.715 1.00 0.00 H new ATOM 660 N ARG A 56 -7.770 -6.555 -1.170 1.00 0.00 N ATOM 661 CA ARG A 56 -9.099 -7.075 -1.442 1.00 0.00 C ATOM 662 C ARG A 56 -9.459 -8.172 -0.447 1.00 0.00 C ATOM 663 O ARG A 56 -8.658 -8.495 0.428 1.00 0.00 O ATOM 664 CB ARG A 56 -9.158 -7.593 -2.878 1.00 0.00 C ATOM 665 CG ARG A 56 -8.925 -6.498 -3.907 1.00 0.00 C ATOM 666 CD ARG A 56 -8.858 -7.044 -5.322 1.00 0.00 C ATOM 667 NE ARG A 56 -10.061 -7.788 -5.686 1.00 0.00 N ATOM 668 CZ ARG A 56 -11.140 -7.238 -6.242 1.00 0.00 C ATOM 669 NH1 ARG A 56 -11.223 -5.922 -6.406 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.151 -8.010 -6.612 1.00 0.00 N ATOM 0 H ARG A 56 -7.009 -7.165 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.830 -6.274 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.409 -8.374 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.131 -8.051 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.727 -5.763 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.996 -5.977 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.718 -6.220 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.988 -7.694 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.076 -8.791 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.456 -5.321 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.054 -5.513 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.101 -9.019 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.980 -7.595 -7.038 1.00 0.00 H new ATOM 684 N ASN A 57 -10.661 -8.732 -0.583 1.00 0.00 N ATOM 685 CA ASN A 57 -11.145 -9.783 0.323 1.00 0.00 C ATOM 686 C ASN A 57 -11.310 -9.257 1.743 1.00 0.00 C ATOM 687 O ASN A 57 -11.037 -9.965 2.713 1.00 0.00 O ATOM 688 CB ASN A 57 -10.207 -10.999 0.324 1.00 0.00 C ATOM 689 CG ASN A 57 -10.375 -11.870 -0.905 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.767 -11.395 -1.971 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.071 -13.151 -0.770 1.00 0.00 N ATOM 0 H ASN A 57 -11.323 -8.476 -1.315 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.120 -10.098 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.174 -10.656 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.395 -11.597 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.158 -13.783 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.749 -13.507 0.130 1.00 0.00 H new ATOM 698 N GLY A 58 -11.760 -8.013 1.857 1.00 0.00 N ATOM 699 CA GLY A 58 -11.983 -7.418 3.161 1.00 0.00 C ATOM 700 C GLY A 58 -13.241 -7.936 3.837 1.00 0.00 C ATOM 701 O GLY A 58 -13.770 -8.973 3.439 1.00 0.00 O ATOM 0 H GLY A 58 -11.975 -7.404 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.123 -7.621 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.053 -6.335 3.054 1.00 0.00 H new ATOM 705 N PRO A 59 -13.752 -7.196 4.841 1.00 0.00 N ATOM 706 CA PRO A 59 -14.898 -7.595 5.674 1.00 0.00 C ATOM 707 C PRO A 59 -15.974 -8.392 4.933 1.00 0.00 C ATOM 708 O PRO A 59 -16.251 -9.542 5.274 1.00 0.00 O ATOM 709 CB PRO A 59 -15.449 -6.248 6.117 1.00 0.00 C ATOM 710 CG PRO A 59 -14.256 -5.361 6.230 1.00 0.00 C ATOM 711 CD PRO A 59 -13.232 -5.878 5.253 1.00 0.00 C ATOM 0 HA PRO A 59 -14.595 -8.267 6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.164 -5.857 5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.972 -6.330 7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.520 -4.328 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.861 -5.373 7.246 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.124 -5.209 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.249 -5.965 5.716 1.00 0.00 H new ATOM 719 N ASN A 60 -16.564 -7.787 3.915 1.00 0.00 N ATOM 720 CA ASN A 60 -17.580 -8.454 3.106 1.00 0.00 C ATOM 721 C ASN A 60 -17.092 -8.619 1.675 1.00 0.00 C ATOM 722 O ASN A 60 -17.856 -8.486 0.717 1.00 0.00 O ATOM 723 CB ASN A 60 -18.897 -7.666 3.131 1.00 0.00 C ATOM 724 CG ASN A 60 -18.716 -6.186 2.828 1.00 0.00 C ATOM 725 OD1 ASN A 60 -17.773 -5.780 2.146 1.00 0.00 O ATOM 726 ND2 ASN A 60 -19.628 -5.368 3.326 1.00 0.00 N ATOM 0 H ASN A 60 -16.358 -6.831 3.626 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.762 -9.441 3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.585 -8.098 2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.360 -7.775 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.564 -4.365 3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.395 -5.740 3.886 1.00 0.00 H new ATOM 733 N GLY A 61 -15.812 -8.923 1.533 1.00 0.00 N ATOM 734 CA GLY A 61 -15.200 -8.926 0.224 1.00 0.00 C ATOM 735 C GLY A 61 -14.891 -7.514 -0.217 1.00 0.00 C ATOM 736 O GLY A 61 -14.806 -7.220 -1.408 1.00 0.00 O ATOM 0 H GLY A 61 -15.187 -9.168 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.284 -9.516 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.868 -9.400 -0.495 1.00 0.00 H new ATOM 740 N ALA A 62 -14.737 -6.637 0.767 1.00 0.00 N ATOM 741 CA ALA A 62 -14.458 -5.233 0.518 1.00 0.00 C ATOM 742 C ALA A 62 -13.040 -5.049 0.013 1.00 0.00 C ATOM 743 O ALA A 62 -12.174 -5.891 0.241 1.00 0.00 O ATOM 744 CB ALA A 62 -14.677 -4.421 1.786 1.00 0.00 C ATOM 0 H ALA A 62 -14.802 -6.880 1.755 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.144 -4.877 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.465 -3.371 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.712 -4.527 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.011 -4.783 2.570 1.00 0.00 H new ATOM 750 N GLU A 63 -12.819 -3.959 -0.686 1.00 0.00 N ATOM 751 CA GLU A 63 -11.522 -3.646 -1.222 1.00 0.00 C ATOM 752 C GLU A 63 -11.009 -2.341 -0.628 1.00 0.00 C ATOM 753 O GLU A 63 -11.597 -1.274 -0.817 1.00 0.00 O ATOM 754 CB GLU A 63 -11.614 -3.563 -2.739 1.00 0.00 C ATOM 755 CG GLU A 63 -10.389 -2.966 -3.392 1.00 0.00 C ATOM 756 CD GLU A 63 -10.536 -2.853 -4.894 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.284 -1.965 -5.354 1.00 0.00 O ATOM 758 OE2 GLU A 63 -9.920 -3.653 -5.625 1.00 0.00 O ATOM 0 H GLU A 63 -13.537 -3.266 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.814 -4.431 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.776 -4.564 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.485 -2.966 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.201 -1.978 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.520 -3.581 -3.160 1.00 0.00 H new ATOM 765 N GLY A 64 -9.923 -2.447 0.106 1.00 0.00 N ATOM 766 CA GLY A 64 -9.318 -1.293 0.722 1.00 0.00 C ATOM 767 C GLY A 64 -8.087 -0.860 -0.033 1.00 0.00 C ATOM 768 O GLY A 64 -7.524 -1.638 -0.801 1.00 0.00 O ATOM 0 H GLY A 64 -9.441 -3.327 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.037 -0.474 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.054 -1.524 1.754 1.00 0.00 H new ATOM 772 N TYR A 65 -7.663 0.370 0.174 1.00 0.00 N ATOM 773 CA TYR A 65 -6.530 0.899 -0.555 1.00 0.00 C ATOM 774 C TYR A 65 -5.726 1.857 0.312 1.00 0.00 C ATOM 775 O TYR A 65 -6.235 2.885 0.761 1.00 0.00 O ATOM 776 CB TYR A 65 -7.017 1.596 -1.827 1.00 0.00 C ATOM 777 CG TYR A 65 -5.911 2.190 -2.660 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.865 1.406 -3.122 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.913 3.540 -2.979 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.851 1.950 -3.879 1.00 0.00 C ATOM 781 CE2 TYR A 65 -4.905 4.091 -3.737 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.875 3.295 -4.185 1.00 0.00 C ATOM 783 OH TYR A 65 -2.869 3.847 -4.943 1.00 0.00 O ATOM 0 H TYR A 65 -8.084 1.019 0.838 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.874 0.074 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.570 0.879 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.716 2.386 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.845 0.353 -2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.718 4.168 -2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.042 1.327 -4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.922 5.143 -3.979 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.040 4.804 -5.066 1.00 0.00 H new ATOM 793 N TRP A 66 -4.468 1.511 0.541 1.00 0.00 N ATOM 794 CA TRP A 66 -3.583 2.339 1.348 1.00 0.00 C ATOM 795 C TRP A 66 -2.374 2.749 0.529 1.00 0.00 C ATOM 796 O TRP A 66 -1.795 1.942 -0.198 1.00 0.00 O ATOM 797 CB TRP A 66 -3.114 1.623 2.624 1.00 0.00 C ATOM 798 CG TRP A 66 -4.184 1.392 3.650 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.400 2.124 4.782 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.167 0.351 3.654 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.458 1.606 5.487 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.947 0.516 4.814 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.466 -0.703 2.789 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.003 -0.332 5.128 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.515 -1.543 3.103 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.272 -1.355 4.263 1.00 0.00 C ATOM 0 H TRP A 66 -4.036 0.661 0.179 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.152 3.218 1.651 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.684 0.661 2.346 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.315 2.209 3.079 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.822 2.986 5.080 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.821 1.972 6.367 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.887 -0.858 1.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.590 -0.187 6.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.756 -2.361 2.440 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.085 -2.032 4.480 1.00 0.00 H new ATOM 817 N VAL A 67 -2.010 4.006 0.640 1.00 0.00 N ATOM 818 CA VAL A 67 -0.864 4.540 -0.064 1.00 0.00 C ATOM 819 C VAL A 67 0.294 4.768 0.896 1.00 0.00 C ATOM 820 O VAL A 67 0.184 5.554 1.834 1.00 0.00 O ATOM 821 CB VAL A 67 -1.226 5.867 -0.762 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.022 6.604 -1.210 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.146 5.615 -1.945 1.00 0.00 C ATOM 0 H VAL A 67 -2.499 4.688 1.220 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.563 3.813 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.751 6.494 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.262 7.536 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.645 6.824 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.580 5.982 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.390 6.563 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.646 4.964 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.062 5.137 -1.598 1.00 0.00 H new ATOM 833 N ILE A 68 1.389 4.060 0.674 1.00 0.00 N ATOM 834 CA ILE A 68 2.593 4.258 1.457 1.00 0.00 C ATOM 835 C ILE A 68 3.496 5.252 0.737 1.00 0.00 C ATOM 836 O ILE A 68 4.194 4.899 -0.215 1.00 0.00 O ATOM 837 CB ILE A 68 3.385 2.948 1.707 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.521 1.863 2.366 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.600 3.233 2.581 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.574 1.159 1.421 1.00 0.00 C ATOM 0 H ILE A 68 1.467 3.341 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 68 2.281 4.634 2.431 1.00 0.00 H new ATOM 0 HB ILE A 68 3.704 2.572 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.176 1.122 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.942 2.316 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.150 2.308 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.247 3.953 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.273 3.642 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.003 0.409 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.891 1.886 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.144 0.673 0.629 1.00 0.00 H new ATOM 852 N ASN A 69 3.464 6.497 1.177 1.00 0.00 N ATOM 853 CA ASN A 69 4.237 7.544 0.533 1.00 0.00 C ATOM 854 C ASN A 69 5.646 7.586 1.101 1.00 0.00 C ATOM 855 O ASN A 69 5.884 8.173 2.157 1.00 0.00 O ATOM 856 CB ASN A 69 3.564 8.906 0.725 1.00 0.00 C ATOM 857 CG ASN A 69 4.193 9.999 -0.127 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.386 9.964 -0.440 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.396 10.985 -0.500 1.00 0.00 N ATOM 0 H ASN A 69 2.912 6.808 1.976 1.00 0.00 H new ATOM 0 HA ASN A 69 4.288 7.322 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.506 8.822 0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.623 9.191 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.762 11.751 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.415 10.980 -0.222 1.00 0.00 H new ATOM 866 N ALA A 70 6.575 6.969 0.394 1.00 0.00 N ATOM 867 CA ALA A 70 7.974 7.007 0.780 1.00 0.00 C ATOM 868 C ALA A 70 8.764 7.866 -0.195 1.00 0.00 C ATOM 869 O ALA A 70 9.987 7.942 -0.120 1.00 0.00 O ATOM 870 CB ALA A 70 8.547 5.602 0.843 1.00 0.00 C ATOM 0 H ALA A 70 6.385 6.434 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 70 8.051 7.450 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.596 5.650 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.993 5.016 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.463 5.131 -0.136 1.00 0.00 H new ATOM 876 N LYS A 71 8.046 8.524 -1.102 1.00 0.00 N ATOM 877 CA LYS A 71 8.659 9.371 -2.121 1.00 0.00 C ATOM 878 C LYS A 71 9.446 10.503 -1.472 1.00 0.00 C ATOM 879 O LYS A 71 10.568 10.813 -1.876 1.00 0.00 O ATOM 880 CB LYS A 71 7.569 9.939 -3.038 1.00 0.00 C ATOM 881 CG LYS A 71 8.066 10.921 -4.088 1.00 0.00 C ATOM 882 CD LYS A 71 8.949 10.252 -5.132 1.00 0.00 C ATOM 883 CE LYS A 71 8.144 9.347 -6.049 1.00 0.00 C ATOM 884 NZ LYS A 71 7.135 10.103 -6.835 1.00 0.00 N ATOM 0 H LYS A 71 7.028 8.485 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 71 9.350 8.771 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.071 9.111 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.819 10.436 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.212 11.385 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.625 11.719 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.454 11.015 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.724 9.670 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.819 8.829 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.642 8.583 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.826 9.530 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.316 10.319 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.556 10.990 -7.178 1.00 0.00 H new ATOM 898 N GLU A 72 8.855 11.099 -0.449 1.00 0.00 N ATOM 899 CA GLU A 72 9.476 12.214 0.249 1.00 0.00 C ATOM 900 C GLU A 72 10.254 11.737 1.467 1.00 0.00 C ATOM 901 O GLU A 72 10.753 12.538 2.253 1.00 0.00 O ATOM 902 CB GLU A 72 8.411 13.215 0.662 1.00 0.00 C ATOM 903 CG GLU A 72 7.674 13.809 -0.520 1.00 0.00 C ATOM 904 CD GLU A 72 8.600 14.555 -1.457 1.00 0.00 C ATOM 905 OE1 GLU A 72 9.144 15.603 -1.048 1.00 0.00 O ATOM 906 OE2 GLU A 72 8.801 14.095 -2.597 1.00 0.00 O ATOM 0 H GLU A 72 7.943 10.828 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 72 10.181 12.695 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.695 12.725 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.876 14.017 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.170 13.013 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.901 14.488 -0.160 1.00 0.00 H new ATOM 913 N GLY A 73 10.330 10.430 1.621 1.00 0.00 N ATOM 914 CA GLY A 73 11.146 9.849 2.673 1.00 0.00 C ATOM 915 C GLY A 73 10.351 9.406 3.883 1.00 0.00 C ATOM 916 O GLY A 73 10.870 8.690 4.736 1.00 0.00 O ATOM 0 H GLY A 73 9.841 9.752 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.687 8.992 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.893 10.578 2.987 1.00 0.00 H new ATOM 920 N LYS A 74 9.099 9.837 3.966 1.00 0.00 N ATOM 921 CA LYS A 74 8.237 9.477 5.079 1.00 0.00 C ATOM 922 C LYS A 74 8.052 7.967 5.196 1.00 0.00 C ATOM 923 O LYS A 74 8.507 7.355 6.163 1.00 0.00 O ATOM 924 CB LYS A 74 6.880 10.167 4.935 1.00 0.00 C ATOM 925 CG LYS A 74 6.811 11.512 5.639 1.00 0.00 C ATOM 926 CD LYS A 74 7.691 12.563 4.980 1.00 0.00 C ATOM 927 CE LYS A 74 7.022 13.178 3.763 1.00 0.00 C ATOM 928 NZ LYS A 74 5.799 13.942 4.126 1.00 0.00 N ATOM 0 H LYS A 74 8.658 10.439 3.271 1.00 0.00 H new ATOM 0 HA LYS A 74 8.722 9.817 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.662 10.307 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.104 9.515 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.778 11.861 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.114 11.390 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.923 13.346 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.638 12.111 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.726 13.839 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.761 12.390 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.596 14.644 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.995 13.289 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.950 14.429 5.033 1.00 0.00 H new ATOM 942 N GLY A 75 7.386 7.361 4.227 1.00 0.00 N ATOM 943 CA GLY A 75 7.098 5.948 4.328 1.00 0.00 C ATOM 944 C GLY A 75 5.836 5.701 5.127 1.00 0.00 C ATOM 945 O GLY A 75 5.743 4.725 5.869 1.00 0.00 O ATOM 0 H GLY A 75 7.043 7.816 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.988 5.525 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.936 5.436 4.801 1.00 0.00 H new ATOM 949 N LYS A 76 4.875 6.608 4.991 1.00 0.00 N ATOM 950 CA LYS A 76 3.634 6.524 5.746 1.00 0.00 C ATOM 951 C LYS A 76 2.546 5.893 4.896 1.00 0.00 C ATOM 952 O LYS A 76 2.534 6.066 3.683 1.00 0.00 O ATOM 953 CB LYS A 76 3.168 7.915 6.185 1.00 0.00 C ATOM 954 CG LYS A 76 2.677 8.787 5.035 1.00 0.00 C ATOM 955 CD LYS A 76 1.886 9.979 5.541 1.00 0.00 C ATOM 956 CE LYS A 76 1.356 10.826 4.398 1.00 0.00 C ATOM 957 NZ LYS A 76 0.517 11.949 4.891 1.00 0.00 N ATOM 0 H LYS A 76 4.933 7.410 4.364 1.00 0.00 H new ATOM 0 HA LYS A 76 3.821 5.911 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.366 7.806 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.991 8.422 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.529 9.135 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.054 8.193 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.054 9.631 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.520 10.590 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.191 11.222 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.769 10.202 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.172 12.506 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.294 11.570 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.084 12.558 5.515 1.00 0.00 H new ATOM 971 N VAL A 77 1.629 5.181 5.526 1.00 0.00 N ATOM 972 CA VAL A 77 0.523 4.583 4.802 1.00 0.00 C ATOM 973 C VAL A 77 -0.756 5.354 5.112 1.00 0.00 C ATOM 974 O VAL A 77 -1.009 5.726 6.262 1.00 0.00 O ATOM 975 CB VAL A 77 0.356 3.062 5.114 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.629 2.479 5.706 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.827 2.779 6.028 1.00 0.00 C ATOM 0 H VAL A 77 1.628 5.004 6.530 1.00 0.00 H new ATOM 0 HA VAL A 77 0.740 4.650 3.736 1.00 0.00 H new ATOM 0 HB VAL A 77 0.155 2.574 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.482 1.419 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.448 2.600 4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.871 2.999 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.896 1.707 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.689 3.301 6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.745 3.126 5.553 1.00 0.00 H new ATOM 987 N THR A 78 -1.525 5.640 4.078 1.00 0.00 N ATOM 988 CA THR A 78 -2.756 6.396 4.221 1.00 0.00 C ATOM 989 C THR A 78 -3.847 5.820 3.324 1.00 0.00 C ATOM 990 O THR A 78 -3.613 5.527 2.152 1.00 0.00 O ATOM 991 CB THR A 78 -2.527 7.895 3.894 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.773 8.608 3.882 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.821 8.070 2.554 1.00 0.00 C ATOM 0 H THR A 78 -1.316 5.357 3.121 1.00 0.00 H new ATOM 0 HA THR A 78 -3.080 6.317 5.259 1.00 0.00 H new ATOM 0 HB THR A 78 -1.888 8.305 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.608 9.552 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.676 9.132 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.852 7.571 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.429 7.632 1.762 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.032 5.634 3.890 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.160 5.085 3.153 1.00 0.00 C ATOM 1003 C TYR A 79 -6.627 6.092 2.113 1.00 0.00 C ATOM 1004 O TYR A 79 -6.988 7.217 2.461 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.302 4.744 4.116 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.404 3.901 3.511 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.263 2.526 3.402 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.589 4.473 3.064 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.264 1.742 2.866 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.601 3.694 2.528 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.431 2.329 2.432 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.433 1.543 1.907 1.00 0.00 O ATOM 0 H TYR A 79 -5.237 5.857 4.864 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.850 4.170 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.889 4.217 4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.735 5.672 4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.351 2.059 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.723 5.542 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.133 0.673 2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.517 4.153 2.187 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.403 0.655 2.320 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.611 5.683 0.847 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.894 6.589 -0.267 1.00 0.00 C ATOM 1024 C ASN A 80 -5.934 7.775 -0.215 1.00 0.00 C ATOM 1025 O ASN A 80 -6.295 8.878 0.193 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.357 7.063 -0.235 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.724 7.944 -1.420 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.608 9.167 -1.364 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -9.181 7.327 -2.496 1.00 0.00 N ATOM 0 H ASN A 80 -6.404 4.725 0.564 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.746 6.054 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.014 6.194 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.534 7.614 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.452 7.868 -3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.263 6.310 -2.505 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.691 7.521 -0.598 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.672 8.548 -0.527 1.00 0.00 C ATOM 1038 C GLY A 81 -3.878 9.653 -1.539 1.00 0.00 C ATOM 1039 O GLY A 81 -3.696 10.826 -1.225 1.00 0.00 O ATOM 0 H GLY A 81 -4.370 6.622 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.665 8.977 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.694 8.094 -0.686 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.259 9.284 -2.753 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.463 10.272 -3.796 1.00 0.00 C ATOM 1045 C GLY A 82 -3.186 10.558 -4.563 1.00 0.00 C ATOM 1046 O GLY A 82 -3.214 11.175 -5.629 1.00 0.00 O ATOM 0 H GLY A 82 -4.431 8.319 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.229 9.918 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.835 11.196 -3.353 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.066 10.108 -4.012 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.770 10.264 -4.654 1.00 0.00 C ATOM 1052 C GLU A 83 -0.588 9.179 -5.706 1.00 0.00 C ATOM 1053 O GLU A 83 -1.258 8.147 -5.654 1.00 0.00 O ATOM 1054 CB GLU A 83 0.351 10.165 -3.617 1.00 0.00 C ATOM 1055 CG GLU A 83 0.202 11.137 -2.460 1.00 0.00 C ATOM 1056 CD GLU A 83 0.233 12.584 -2.899 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.339 13.153 -3.020 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.848 13.163 -3.118 1.00 0.00 O ATOM 0 H GLU A 83 -2.031 9.628 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.727 11.245 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.381 9.149 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.306 10.345 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.738 10.939 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.003 10.964 -1.741 1.00 0.00 H new ATOM 1065 N LYS A 84 0.312 9.412 -6.649 1.00 0.00 N ATOM 1066 CA LYS A 84 0.594 8.438 -7.692 1.00 0.00 C ATOM 1067 C LYS A 84 1.668 7.460 -7.233 1.00 0.00 C ATOM 1068 O LYS A 84 2.834 7.829 -7.097 1.00 0.00 O ATOM 1069 CB LYS A 84 1.045 9.133 -8.967 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.007 10.048 -9.564 1.00 0.00 C ATOM 1071 CD LYS A 84 0.396 10.517 -10.948 1.00 0.00 C ATOM 1072 CE LYS A 84 1.656 11.349 -10.916 1.00 0.00 C ATOM 1073 NZ LYS A 84 2.016 11.863 -12.262 1.00 0.00 N ATOM 0 H LYS A 84 0.861 10.269 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.324 7.887 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.943 9.714 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.319 8.379 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.961 9.523 -9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.154 10.910 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.548 9.653 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.414 11.102 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.520 12.187 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.477 10.748 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.886 12.429 -12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.171 11.064 -12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.243 12.457 -12.625 1.00 0.00 H new ATOM 1087 N PRO A 85 1.283 6.206 -6.973 1.00 0.00 N ATOM 1088 CA PRO A 85 2.216 5.162 -6.549 1.00 0.00 C ATOM 1089 C PRO A 85 3.207 4.777 -7.641 1.00 0.00 C ATOM 1090 O PRO A 85 2.837 4.586 -8.802 1.00 0.00 O ATOM 1091 CB PRO A 85 1.312 3.968 -6.216 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.066 4.525 -6.126 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.096 5.709 -7.042 1.00 0.00 C ATOM 0 HA PRO A 85 2.828 5.498 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.375 3.201 -6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.609 3.501 -5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.807 3.783 -6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.302 4.818 -5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.375 5.428 -8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.814 6.459 -6.710 1.00 0.00 H new ATOM 1101 N ASP A 86 4.473 4.676 -7.254 1.00 0.00 N ATOM 1102 CA ASP A 86 5.514 4.169 -8.139 1.00 0.00 C ATOM 1103 C ASP A 86 5.255 2.698 -8.413 1.00 0.00 C ATOM 1104 O ASP A 86 5.545 2.191 -9.495 1.00 0.00 O ATOM 1105 CB ASP A 86 6.903 4.325 -7.503 1.00 0.00 C ATOM 1106 CG ASP A 86 7.282 5.768 -7.233 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.615 6.420 -6.402 1.00 0.00 O ATOM 1108 OD2 ASP A 86 8.265 6.250 -7.829 1.00 0.00 O ATOM 0 H ASP A 86 4.805 4.941 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 86 5.492 4.742 -9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.930 3.768 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.648 3.878 -8.161 1.00 0.00 H new ATOM 1113 N VAL A 87 4.707 2.026 -7.407 1.00 0.00 N ATOM 1114 CA VAL A 87 4.350 0.618 -7.500 1.00 0.00 C ATOM 1115 C VAL A 87 3.025 0.361 -6.789 1.00 0.00 C ATOM 1116 O VAL A 87 2.804 0.851 -5.683 1.00 0.00 O ATOM 1117 CB VAL A 87 5.434 -0.298 -6.878 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.667 -0.375 -7.754 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.809 0.169 -5.483 1.00 0.00 C ATOM 0 H VAL A 87 4.498 2.445 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 87 4.263 0.381 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 87 5.007 -1.298 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.406 -1.026 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.395 -0.777 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.089 0.623 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.571 -0.492 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.198 1.186 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.927 0.149 -4.843 1.00 0.00 H new ATOM 1129 N THR A 88 2.141 -0.385 -7.430 1.00 0.00 N ATOM 1130 CA THR A 88 0.881 -0.769 -6.813 1.00 0.00 C ATOM 1131 C THR A 88 0.786 -2.287 -6.716 1.00 0.00 C ATOM 1132 O THR A 88 1.074 -2.993 -7.682 1.00 0.00 O ATOM 1133 CB THR A 88 -0.326 -0.225 -7.604 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.172 1.186 -7.810 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.635 -0.490 -6.866 1.00 0.00 C ATOM 0 H THR A 88 2.272 -0.737 -8.378 1.00 0.00 H new ATOM 0 HA THR A 88 0.857 -0.335 -5.813 1.00 0.00 H new ATOM 0 HB THR A 88 -0.362 -0.740 -8.564 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.939 1.529 -8.314 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.467 -0.095 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.765 -1.564 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.609 -0.001 -5.892 1.00 0.00 H new ATOM 1143 N PHE A 89 0.401 -2.779 -5.549 1.00 0.00 N ATOM 1144 CA PHE A 89 0.288 -4.211 -5.314 1.00 0.00 C ATOM 1145 C PHE A 89 -1.146 -4.573 -4.948 1.00 0.00 C ATOM 1146 O PHE A 89 -1.719 -3.992 -4.030 1.00 0.00 O ATOM 1147 CB PHE A 89 1.215 -4.651 -4.171 1.00 0.00 C ATOM 1148 CG PHE A 89 2.655 -4.265 -4.351 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.516 -5.063 -5.086 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.152 -3.107 -3.773 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.843 -4.713 -5.243 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.477 -2.751 -3.928 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.324 -3.556 -4.665 1.00 0.00 C ATOM 0 H PHE A 89 0.159 -2.202 -4.743 1.00 0.00 H new ATOM 0 HA PHE A 89 0.578 -4.724 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.851 -4.220 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.153 -5.734 -4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.146 -5.969 -5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.494 -2.475 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.504 -5.345 -5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.851 -1.845 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.361 -3.280 -4.789 1.00 0.00 H new ATOM 1163 N THR A 90 -1.729 -5.515 -5.673 1.00 0.00 N ATOM 1164 CA THR A 90 -3.040 -6.037 -5.317 1.00 0.00 C ATOM 1165 C THR A 90 -2.885 -7.367 -4.585 1.00 0.00 C ATOM 1166 O THR A 90 -2.224 -8.279 -5.083 1.00 0.00 O ATOM 1167 CB THR A 90 -3.933 -6.232 -6.559 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.957 -5.029 -7.341 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.353 -6.595 -6.154 1.00 0.00 C ATOM 0 H THR A 90 -1.318 -5.932 -6.508 1.00 0.00 H new ATOM 0 HA THR A 90 -3.523 -5.308 -4.666 1.00 0.00 H new ATOM 0 HB THR A 90 -3.516 -7.047 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.525 -5.162 -8.129 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.964 -6.727 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.342 -7.522 -5.581 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.773 -5.796 -5.543 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.484 -7.457 -3.400 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.367 -8.631 -2.541 1.00 0.00 C ATOM 1179 C ILE A 91 -4.547 -8.689 -1.579 1.00 0.00 C ATOM 1180 O ILE A 91 -5.052 -7.660 -1.134 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.024 -8.600 -1.762 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.008 -9.517 -2.439 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.197 -8.994 -0.299 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.235 -10.989 -2.152 1.00 0.00 C ATOM 0 H ILE A 91 -4.065 -6.716 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.379 -9.527 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.658 -7.573 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.046 -9.355 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.006 -9.241 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.231 -8.957 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.885 -8.301 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.599 -10.005 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.477 -11.581 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.168 -11.165 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.224 -11.281 -2.506 1.00 0.00 H new ATOM 1196 N SER A 92 -4.999 -9.895 -1.294 1.00 0.00 N ATOM 1197 CA SER A 92 -6.100 -10.111 -0.377 1.00 0.00 C ATOM 1198 C SER A 92 -5.658 -9.944 1.076 1.00 0.00 C ATOM 1199 O SER A 92 -4.556 -10.343 1.461 1.00 0.00 O ATOM 1200 CB SER A 92 -6.651 -11.511 -0.614 1.00 0.00 C ATOM 1201 OG SER A 92 -5.784 -12.238 -1.472 1.00 0.00 O ATOM 0 H SER A 92 -4.613 -10.752 -1.692 1.00 0.00 H new ATOM 0 HA SER A 92 -6.875 -9.366 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.757 -12.034 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.645 -11.449 -1.057 1.00 0.00 H new ATOM 0 HG SER A 92 -5.309 -12.921 -0.954 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.556 -9.350 1.864 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.366 -9.084 3.297 1.00 0.00 C ATOM 1209 C ASP A 93 -5.878 -10.317 4.046 1.00 0.00 C ATOM 1210 O ASP A 93 -5.191 -10.219 5.063 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.706 -8.624 3.888 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.672 -8.409 5.389 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.209 -7.340 5.830 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.146 -9.296 6.135 1.00 0.00 O ATOM 0 H ASP A 93 -7.461 -9.031 1.517 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.604 -8.312 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.006 -7.695 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.469 -9.366 3.654 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.230 -11.473 3.516 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.949 -12.740 4.158 1.00 0.00 C ATOM 1221 C GLU A 94 -4.490 -13.149 3.960 1.00 0.00 C ATOM 1222 O GLU A 94 -3.876 -13.751 4.844 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.880 -13.801 3.584 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.300 -13.296 3.398 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.216 -14.330 2.789 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.273 -14.420 1.543 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.878 -15.063 3.553 1.00 0.00 O ATOM 0 H GLU A 94 -6.720 -11.558 2.626 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.118 -12.640 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.490 -14.139 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.890 -14.666 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.700 -12.987 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.285 -12.411 2.762 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.938 -12.809 2.799 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.579 -13.217 2.442 1.00 0.00 C ATOM 1236 C ASP A 95 -1.560 -12.176 2.875 1.00 0.00 C ATOM 1237 O ASP A 95 -0.375 -12.476 3.013 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.456 -13.434 0.932 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.454 -14.439 0.401 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -3.211 -15.656 0.521 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.496 -14.012 -0.135 1.00 0.00 O ATOM 0 H ASP A 95 -4.410 -12.251 2.087 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.376 -14.153 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.598 -12.482 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.447 -13.773 0.699 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.027 -10.949 3.091 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.135 -9.838 3.408 1.00 0.00 C ATOM 1248 C VAL A 96 -0.314 -10.135 4.660 1.00 0.00 C ATOM 1249 O VAL A 96 0.829 -9.711 4.778 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.915 -8.510 3.618 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -1.946 -8.105 5.091 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.323 -7.387 2.782 1.00 0.00 C ATOM 0 H VAL A 96 -3.015 -10.700 3.052 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.469 -9.721 2.553 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.939 -8.686 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.499 -7.172 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.434 -8.887 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.927 -7.967 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.889 -6.471 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.284 -7.229 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.371 -7.655 1.727 1.00 0.00 H new ATOM 1262 N VAL A 97 -0.904 -10.892 5.574 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.335 -11.091 6.897 1.00 0.00 C ATOM 1264 C VAL A 97 1.003 -11.815 6.825 1.00 0.00 C ATOM 1265 O VAL A 97 1.883 -11.607 7.664 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.310 -11.864 7.805 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.690 -11.235 7.730 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.374 -13.338 7.428 1.00 0.00 C ATOM 0 H VAL A 97 -1.785 -11.382 5.420 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.164 -10.105 7.329 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.943 -11.804 8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.376 -11.785 8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.635 -10.198 8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.050 -11.270 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.071 -13.853 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.713 -13.435 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.384 -13.782 7.528 1.00 0.00 H new ATOM 1278 N ASP A 98 1.162 -12.649 5.808 1.00 0.00 N ATOM 1279 CA ASP A 98 2.401 -13.360 5.607 1.00 0.00 C ATOM 1280 C ASP A 98 3.386 -12.447 4.903 1.00 0.00 C ATOM 1281 O ASP A 98 4.584 -12.511 5.145 1.00 0.00 O ATOM 1282 CB ASP A 98 2.180 -14.628 4.781 1.00 0.00 C ATOM 1283 CG ASP A 98 1.154 -15.563 5.387 1.00 0.00 C ATOM 1284 OD1 ASP A 98 1.524 -16.390 6.249 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.027 -15.491 4.991 1.00 0.00 O ATOM 0 H ASP A 98 0.443 -12.845 5.112 1.00 0.00 H new ATOM 0 HA ASP A 98 2.798 -13.658 6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.860 -14.349 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.128 -15.157 4.678 1.00 0.00 H new ATOM 1290 N LEU A 99 2.861 -11.575 4.051 1.00 0.00 N ATOM 1291 CA LEU A 99 3.687 -10.621 3.315 1.00 0.00 C ATOM 1292 C LEU A 99 4.260 -9.574 4.262 1.00 0.00 C ATOM 1293 O LEU A 99 5.432 -9.224 4.181 1.00 0.00 O ATOM 1294 CB LEU A 99 2.871 -9.939 2.213 1.00 0.00 C ATOM 1295 CG LEU A 99 2.451 -10.844 1.052 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.471 -10.127 0.144 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.664 -11.289 0.254 1.00 0.00 C ATOM 0 H LEU A 99 1.863 -11.507 3.851 1.00 0.00 H new ATOM 0 HA LEU A 99 4.509 -11.167 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.974 -9.511 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.454 -9.110 1.813 1.00 0.00 H new ATOM 0 HG LEU A 99 1.963 -11.725 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.184 -10.787 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.584 -9.849 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.939 -9.229 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.344 -11.931 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.176 -10.415 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.344 -11.841 0.903 1.00 0.00 H new ATOM 1309 N ILE A 100 3.424 -9.092 5.171 1.00 0.00 N ATOM 1310 CA ILE A 100 3.842 -8.105 6.161 1.00 0.00 C ATOM 1311 C ILE A 100 4.885 -8.703 7.116 1.00 0.00 C ATOM 1312 O ILE A 100 5.701 -7.988 7.698 1.00 0.00 O ATOM 1313 CB ILE A 100 2.640 -7.595 6.991 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.500 -7.098 6.088 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.096 -6.501 7.952 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.474 -5.606 5.857 1.00 0.00 C ATOM 0 H ILE A 100 2.445 -9.370 5.245 1.00 0.00 H new ATOM 0 HA ILE A 100 4.278 -7.268 5.616 1.00 0.00 H new ATOM 0 HB ILE A 100 2.248 -8.430 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.576 -7.599 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.550 -7.399 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.243 -6.148 8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.853 -6.901 8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.518 -5.671 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.635 -5.353 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.363 -5.092 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.405 -5.295 5.384 1.00 0.00 H new ATOM 1328 N SER A 101 4.853 -10.021 7.270 1.00 0.00 N ATOM 1329 CA SER A 101 5.737 -10.698 8.209 1.00 0.00 C ATOM 1330 C SER A 101 6.982 -11.252 7.513 1.00 0.00 C ATOM 1331 O SER A 101 7.934 -11.675 8.169 1.00 0.00 O ATOM 1332 CB SER A 101 4.980 -11.829 8.908 1.00 0.00 C ATOM 1333 OG SER A 101 5.763 -12.429 9.926 1.00 0.00 O ATOM 0 H SER A 101 4.226 -10.641 6.758 1.00 0.00 H new ATOM 0 HA SER A 101 6.068 -9.967 8.947 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.058 -11.439 9.339 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.694 -12.584 8.175 1.00 0.00 H new ATOM 0 HG SER A 101 6.700 -12.464 9.640 1.00 0.00 H new ATOM 1339 N GLY A 102 6.972 -11.256 6.187 1.00 0.00 N ATOM 1340 CA GLY A 102 8.088 -11.810 5.445 1.00 0.00 C ATOM 1341 C GLY A 102 7.985 -13.316 5.298 1.00 0.00 C ATOM 1342 O GLY A 102 8.928 -13.975 4.856 1.00 0.00 O ATOM 0 H GLY A 102 6.214 -10.887 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.129 -11.352 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.020 -11.559 5.952 1.00 0.00 H new ATOM 1346 N LYS A 103 6.830 -13.854 5.672 1.00 0.00 N ATOM 1347 CA LYS A 103 6.570 -15.282 5.563 1.00 0.00 C ATOM 1348 C LYS A 103 6.249 -15.649 4.128 1.00 0.00 C ATOM 1349 O LYS A 103 6.720 -16.661 3.606 1.00 0.00 O ATOM 1350 CB LYS A 103 5.385 -15.671 6.447 1.00 0.00 C ATOM 1351 CG LYS A 103 5.693 -15.699 7.934 1.00 0.00 C ATOM 1352 CD LYS A 103 4.480 -16.149 8.731 1.00 0.00 C ATOM 1353 CE LYS A 103 4.772 -16.232 10.221 1.00 0.00 C ATOM 1354 NZ LYS A 103 4.988 -14.892 10.829 1.00 0.00 N ATOM 0 H LYS A 103 6.053 -13.316 6.056 1.00 0.00 H new ATOM 0 HA LYS A 103 7.463 -15.817 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.570 -14.969 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.029 -16.656 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.528 -16.373 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.002 -14.707 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.658 -15.454 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.152 -17.124 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.942 -16.728 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.656 -16.848 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.799 -14.932 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.180 -14.197 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.137 -14.608 11.354 1.00 0.00 H new ATOM 1368 N LEU A 104 5.448 -14.812 3.495 1.00 0.00 N ATOM 1369 CA LEU A 104 5.064 -15.028 2.120 1.00 0.00 C ATOM 1370 C LEU A 104 5.906 -14.154 1.210 1.00 0.00 C ATOM 1371 O LEU A 104 6.002 -12.943 1.401 1.00 0.00 O ATOM 1372 CB LEU A 104 3.569 -14.741 1.951 1.00 0.00 C ATOM 1373 CG LEU A 104 3.007 -14.845 0.530 1.00 0.00 C ATOM 1374 CD1 LEU A 104 3.279 -16.214 -0.066 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.511 -14.558 0.529 1.00 0.00 C ATOM 0 H LEU A 104 5.051 -13.973 3.918 1.00 0.00 H new ATOM 0 HA LEU A 104 5.241 -16.068 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.016 -15.431 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.371 -13.736 2.323 1.00 0.00 H new ATOM 0 HG LEU A 104 3.510 -14.100 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.869 -16.260 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.354 -16.388 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.809 -16.980 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.126 -14.636 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.001 -15.281 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.333 -13.552 0.908 1.00 0.00 H new ATOM 1387 N ASN A 105 6.552 -14.787 0.252 1.00 0.00 N ATOM 1388 CA ASN A 105 7.372 -14.083 -0.716 1.00 0.00 C ATOM 1389 C ASN A 105 6.491 -13.422 -1.760 1.00 0.00 C ATOM 1390 O ASN A 105 5.683 -14.089 -2.409 1.00 0.00 O ATOM 1391 CB ASN A 105 8.344 -15.055 -1.391 1.00 0.00 C ATOM 1392 CG ASN A 105 9.526 -15.411 -0.513 1.00 0.00 C ATOM 1393 OD1 ASN A 105 9.434 -15.409 0.715 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.645 -15.729 -1.141 1.00 0.00 N ATOM 0 H ASN A 105 6.525 -15.798 0.122 1.00 0.00 H new ATOM 0 HA ASN A 105 7.946 -13.315 -0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.810 -15.966 -1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.707 -14.612 -2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.475 -15.985 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.679 -15.718 -2.160 1.00 0.00 H new ATOM 1401 N PRO A 106 6.631 -12.097 -1.940 1.00 0.00 N ATOM 1402 CA PRO A 106 5.849 -11.365 -2.926 1.00 0.00 C ATOM 1403 C PRO A 106 6.199 -11.823 -4.329 1.00 0.00 C ATOM 1404 O PRO A 106 5.420 -11.666 -5.261 1.00 0.00 O ATOM 1405 CB PRO A 106 6.222 -9.893 -2.727 1.00 0.00 C ATOM 1406 CG PRO A 106 7.113 -9.832 -1.530 1.00 0.00 C ATOM 1407 CD PRO A 106 7.566 -11.232 -1.210 1.00 0.00 C ATOM 0 HA PRO A 106 4.779 -11.530 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.730 -9.500 -3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.330 -9.285 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.972 -9.190 -1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.581 -9.401 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.594 -11.399 -1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.531 -11.425 -0.138 1.00 0.00 H new ATOM 1415 N GLN A 107 7.386 -12.397 -4.454 1.00 0.00 N ATOM 1416 CA GLN A 107 7.824 -13.016 -5.685 1.00 0.00 C ATOM 1417 C GLN A 107 6.956 -14.215 -6.035 1.00 0.00 C ATOM 1418 O GLN A 107 6.366 -14.275 -7.114 1.00 0.00 O ATOM 1419 CB GLN A 107 9.267 -13.468 -5.543 1.00 0.00 C ATOM 1420 CG GLN A 107 10.272 -12.336 -5.582 1.00 0.00 C ATOM 1421 CD GLN A 107 10.294 -11.616 -6.919 1.00 0.00 C ATOM 1422 OE1 GLN A 107 10.028 -12.206 -7.966 1.00 0.00 O ATOM 1423 NE2 GLN A 107 10.615 -10.333 -6.895 1.00 0.00 N ATOM 0 H GLN A 107 8.071 -12.444 -3.700 1.00 0.00 H new ATOM 0 HA GLN A 107 7.738 -12.280 -6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.378 -14.007 -4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.497 -14.172 -6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.038 -11.621 -4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 107 11.266 -12.731 -5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.829 -9.877 -6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.648 -9.799 -7.764 1.00 0.00 H new ATOM 1432 N LYS A 108 6.873 -15.172 -5.118 1.00 0.00 N ATOM 1433 CA LYS A 108 6.096 -16.375 -5.365 1.00 0.00 C ATOM 1434 C LYS A 108 4.616 -16.036 -5.430 1.00 0.00 C ATOM 1435 O LYS A 108 3.860 -16.667 -6.161 1.00 0.00 O ATOM 1436 CB LYS A 108 6.366 -17.445 -4.299 1.00 0.00 C ATOM 1437 CG LYS A 108 5.694 -17.201 -2.955 1.00 0.00 C ATOM 1438 CD LYS A 108 4.806 -18.367 -2.541 1.00 0.00 C ATOM 1439 CE LYS A 108 3.447 -18.309 -3.221 1.00 0.00 C ATOM 1440 NZ LYS A 108 2.559 -19.417 -2.782 1.00 0.00 N ATOM 0 H LYS A 108 7.330 -15.137 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 108 6.404 -16.788 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 108 6.035 -18.410 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.442 -17.516 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.456 -17.037 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.096 -16.291 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.299 -19.306 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.672 -18.356 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.971 -17.353 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.580 -18.357 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.572 -19.090 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.654 -20.219 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.828 -19.719 -1.824 1.00 0.00 H new ATOM 1454 N ALA A 109 4.209 -15.020 -4.677 1.00 0.00 N ATOM 1455 CA ALA A 109 2.822 -14.577 -4.704 1.00 0.00 C ATOM 1456 C ALA A 109 2.518 -13.914 -6.039 1.00 0.00 C ATOM 1457 O ALA A 109 1.402 -14.001 -6.547 1.00 0.00 O ATOM 1458 CB ALA A 109 2.526 -13.625 -3.553 1.00 0.00 C ATOM 0 H ALA A 109 4.813 -14.493 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 109 2.179 -15.449 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.483 -13.311 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.711 -14.131 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.172 -12.750 -3.629 1.00 0.00 H new ATOM 1464 N PHE A 110 3.525 -13.257 -6.600 1.00 0.00 N ATOM 1465 CA PHE A 110 3.416 -12.667 -7.926 1.00 0.00 C ATOM 1466 C PHE A 110 3.174 -13.764 -8.955 1.00 0.00 C ATOM 1467 O PHE A 110 2.229 -13.702 -9.743 1.00 0.00 O ATOM 1468 CB PHE A 110 4.699 -11.898 -8.276 1.00 0.00 C ATOM 1469 CG PHE A 110 4.700 -11.261 -9.642 1.00 0.00 C ATOM 1470 CD1 PHE A 110 5.091 -11.979 -10.763 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.321 -9.939 -9.803 1.00 0.00 C ATOM 1472 CE1 PHE A 110 5.099 -11.392 -12.013 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.329 -9.344 -11.050 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.718 -10.073 -12.157 1.00 0.00 C ATOM 0 H PHE A 110 4.432 -13.119 -6.153 1.00 0.00 H new ATOM 0 HA PHE A 110 2.578 -11.970 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.856 -11.121 -7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.546 -12.581 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.393 -13.010 -10.657 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.015 -9.365 -8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.403 -11.964 -12.877 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.032 -8.311 -11.159 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.724 -9.612 -13.134 1.00 0.00 H new ATOM 1484 N PHE A 111 4.038 -14.773 -8.920 1.00 0.00 N ATOM 1485 CA PHE A 111 3.981 -15.886 -9.858 1.00 0.00 C ATOM 1486 C PHE A 111 2.677 -16.667 -9.698 1.00 0.00 C ATOM 1487 O PHE A 111 2.037 -17.042 -10.683 1.00 0.00 O ATOM 1488 CB PHE A 111 5.185 -16.807 -9.626 1.00 0.00 C ATOM 1489 CG PHE A 111 5.376 -17.861 -10.680 1.00 0.00 C ATOM 1490 CD1 PHE A 111 6.065 -17.572 -11.845 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.875 -19.142 -10.502 1.00 0.00 C ATOM 1492 CE1 PHE A 111 6.252 -18.538 -12.814 1.00 0.00 C ATOM 1493 CE2 PHE A 111 5.060 -20.111 -11.467 1.00 0.00 C ATOM 1494 CZ PHE A 111 5.748 -19.809 -12.625 1.00 0.00 C ATOM 0 H PHE A 111 4.796 -14.841 -8.241 1.00 0.00 H new ATOM 0 HA PHE A 111 4.014 -15.494 -10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 111 6.087 -16.198 -9.572 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.072 -17.295 -8.658 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.461 -16.579 -11.998 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.334 -19.384 -9.599 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.792 -18.299 -13.718 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.667 -21.105 -11.316 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.892 -20.566 -13.382 1.00 0.00 H new ATOM 1504 N GLN A 112 2.281 -16.887 -8.450 1.00 0.00 N ATOM 1505 CA GLN A 112 1.070 -17.636 -8.138 1.00 0.00 C ATOM 1506 C GLN A 112 -0.195 -16.846 -8.485 1.00 0.00 C ATOM 1507 O GLN A 112 -1.302 -17.377 -8.413 1.00 0.00 O ATOM 1508 CB GLN A 112 1.078 -18.026 -6.660 1.00 0.00 C ATOM 1509 CG GLN A 112 2.029 -19.171 -6.347 1.00 0.00 C ATOM 1510 CD GLN A 112 1.592 -20.491 -6.958 1.00 0.00 C ATOM 1511 OE1 GLN A 112 2.421 -21.340 -7.283 1.00 0.00 O ATOM 1512 NE2 GLN A 112 0.288 -20.682 -7.109 1.00 0.00 N ATOM 0 H GLN A 112 2.787 -16.553 -7.630 1.00 0.00 H new ATOM 0 HA GLN A 112 1.059 -18.538 -8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.357 -17.157 -6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.069 -18.308 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 112 3.024 -18.919 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.107 -19.286 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.370 -19.955 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -0.057 -21.556 -7.506 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.031 -15.581 -8.853 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.153 -14.801 -9.343 1.00 0.00 C ATOM 1523 C GLY A 113 -1.812 -13.956 -8.273 1.00 0.00 C ATOM 1524 O GLY A 113 -2.729 -13.187 -8.564 1.00 0.00 O ATOM 0 H GLY A 113 0.858 -15.081 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.810 -14.151 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.895 -15.475 -9.771 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.368 -14.104 -7.035 1.00 0.00 N ATOM 1529 CA LYS A 114 -1.891 -13.311 -5.939 1.00 0.00 C ATOM 1530 C LYS A 114 -1.493 -11.855 -6.070 1.00 0.00 C ATOM 1531 O LYS A 114 -2.340 -10.963 -6.047 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.387 -13.869 -4.618 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.020 -15.195 -4.266 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.541 -15.127 -4.314 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.106 -14.067 -3.378 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.578 -13.929 -3.540 1.00 0.00 N ATOM 0 H LYS A 114 -0.644 -14.770 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.979 -13.365 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.305 -13.990 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.591 -13.151 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.669 -15.960 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.701 -15.496 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.860 -14.914 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.954 -16.100 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.875 -14.331 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.625 -13.109 -3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.951 -13.301 -2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.788 -13.525 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.025 -14.864 -3.459 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.205 -11.627 -6.221 1.00 0.00 N ATOM 1551 CA ILE A 115 0.328 -10.285 -6.259 1.00 0.00 C ATOM 1552 C ILE A 115 0.267 -9.711 -7.672 1.00 0.00 C ATOM 1553 O ILE A 115 0.852 -10.250 -8.616 1.00 0.00 O ATOM 1554 CB ILE A 115 1.764 -10.259 -5.671 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.745 -9.599 -4.306 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.733 -9.514 -6.556 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.930 -9.953 -3.454 1.00 0.00 C ATOM 0 H ILE A 115 0.496 -12.362 -6.320 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.292 -9.642 -5.634 1.00 0.00 H new ATOM 0 HB ILE A 115 2.099 -11.294 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.710 -8.517 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.833 -9.888 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.723 -9.524 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.778 -9.996 -7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.399 -8.483 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.851 -9.446 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.955 -11.031 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.845 -9.639 -3.956 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.510 -8.649 -7.809 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.602 -7.913 -9.059 1.00 0.00 C ATOM 1571 C LYS A 116 0.099 -6.573 -8.897 1.00 0.00 C ATOM 1572 O LYS A 116 -0.423 -5.672 -8.242 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.065 -7.676 -9.446 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.922 -8.933 -9.481 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.508 -9.868 -10.604 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.513 -10.994 -10.787 1.00 0.00 C ATOM 1577 NZ LYS A 116 -4.858 -10.477 -11.157 1.00 0.00 N ATOM 0 H LYS A 116 -1.092 -8.274 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.126 -8.497 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.505 -6.972 -8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.096 -7.204 -10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.842 -9.454 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.969 -8.656 -9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.417 -9.305 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.525 -10.287 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.159 -11.675 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.586 -11.570 -9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.414 -11.238 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.347 -10.139 -10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.755 -9.691 -11.831 1.00 0.00 H new ATOM 1591 N ILE A 117 1.289 -6.454 -9.459 1.00 0.00 N ATOM 1592 CA ILE A 117 2.071 -5.240 -9.328 1.00 0.00 C ATOM 1593 C ILE A 117 2.474 -4.695 -10.697 1.00 0.00 C ATOM 1594 O ILE A 117 2.788 -5.452 -11.617 1.00 0.00 O ATOM 1595 CB ILE A 117 3.306 -5.485 -8.417 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.527 -4.677 -8.845 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.655 -6.956 -8.355 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.496 -3.231 -8.401 1.00 0.00 C ATOM 0 H ILE A 117 1.735 -7.186 -10.012 1.00 0.00 H new ATOM 0 HA ILE A 117 1.452 -4.480 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 117 3.021 -5.142 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.422 -5.151 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.609 -4.711 -9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.523 -7.097 -7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.809 -7.514 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.885 -7.318 -9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.399 -2.726 -8.744 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.621 -2.739 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.446 -3.185 -7.313 1.00 0.00 H new ATOM 1610 N GLN A 118 2.445 -3.371 -10.809 1.00 0.00 N ATOM 1611 CA GLN A 118 2.753 -2.666 -12.044 1.00 0.00 C ATOM 1612 C GLN A 118 3.506 -1.396 -11.697 1.00 0.00 C ATOM 1613 O GLN A 118 2.915 -0.323 -11.572 1.00 0.00 O ATOM 1614 CB GLN A 118 1.474 -2.316 -12.813 1.00 0.00 C ATOM 1615 CG GLN A 118 0.821 -3.498 -13.510 1.00 0.00 C ATOM 1616 CD GLN A 118 1.681 -4.078 -14.622 1.00 0.00 C ATOM 1617 OE1 GLN A 118 1.624 -5.274 -14.905 1.00 0.00 O ATOM 1618 NE2 GLN A 118 2.474 -3.235 -15.268 1.00 0.00 N ATOM 0 H GLN A 118 2.204 -2.752 -10.035 1.00 0.00 H new ATOM 0 HA GLN A 118 3.361 -3.309 -12.681 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.757 -1.876 -12.121 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.708 -1.554 -13.557 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.612 -4.276 -12.776 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.137 -3.185 -13.924 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.494 -2.250 -15.004 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.064 -3.571 -16.029 1.00 0.00 H new ATOM 1627 N GLY A 119 4.803 -1.527 -11.505 1.00 0.00 N ATOM 1628 CA GLY A 119 5.577 -0.430 -10.984 1.00 0.00 C ATOM 1629 C GLY A 119 7.055 -0.573 -11.247 1.00 0.00 C ATOM 1630 O GLY A 119 7.505 -1.599 -11.759 1.00 0.00 O ATOM 0 H GLY A 119 5.335 -2.375 -11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.223 0.500 -11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.411 -0.353 -9.909 1.00 0.00 H new ATOM 1634 N ASN A 120 7.789 0.484 -10.923 1.00 0.00 N ATOM 1635 CA ASN A 120 9.246 0.518 -11.069 1.00 0.00 C ATOM 1636 C ASN A 120 9.875 -0.725 -10.447 1.00 0.00 C ATOM 1637 O ASN A 120 9.778 -0.962 -9.239 1.00 0.00 O ATOM 1638 CB ASN A 120 9.801 1.780 -10.397 1.00 0.00 C ATOM 1639 CG ASN A 120 9.270 3.057 -11.021 1.00 0.00 C ATOM 1640 OD1 ASN A 120 8.972 3.107 -12.215 1.00 0.00 O ATOM 1641 ND2 ASN A 120 9.144 4.101 -10.217 1.00 0.00 N ATOM 0 H ASN A 120 7.393 1.347 -10.550 1.00 0.00 H new ATOM 0 HA ASN A 120 9.494 0.535 -12.130 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.546 1.765 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 120 10.889 1.773 -10.463 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.790 4.985 -10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.401 4.021 -9.233 1.00 0.00 H new ATOM 1648 N MET A 121 10.522 -1.514 -11.305 1.00 0.00 N ATOM 1649 CA MET A 121 11.037 -2.828 -10.938 1.00 0.00 C ATOM 1650 C MET A 121 12.080 -2.743 -9.838 1.00 0.00 C ATOM 1651 O MET A 121 11.972 -3.432 -8.830 1.00 0.00 O ATOM 1652 CB MET A 121 11.645 -3.540 -12.154 1.00 0.00 C ATOM 1653 CG MET A 121 10.638 -3.958 -13.219 1.00 0.00 C ATOM 1654 SD MET A 121 9.968 -2.567 -14.152 1.00 0.00 S ATOM 1655 CE MET A 121 8.939 -3.432 -15.336 1.00 0.00 C ATOM 0 H MET A 121 10.703 -1.257 -12.275 1.00 0.00 H new ATOM 0 HA MET A 121 10.188 -3.402 -10.566 1.00 0.00 H new ATOM 0 HB2 MET A 121 12.384 -2.882 -12.611 1.00 0.00 H new ATOM 0 HB3 MET A 121 12.178 -4.426 -11.810 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.117 -4.653 -13.909 1.00 0.00 H new ATOM 0 HG3 MET A 121 9.818 -4.496 -12.743 1.00 0.00 H new ATOM 0 HE1 MET A 121 8.452 -2.710 -15.991 1.00 0.00 H new ATOM 0 HE2 MET A 121 9.556 -4.104 -15.933 1.00 0.00 H new ATOM 0 HE3 MET A 121 8.182 -4.010 -14.806 1.00 0.00 H new ATOM 1665 N GLY A 122 13.077 -1.890 -10.021 1.00 0.00 N ATOM 1666 CA GLY A 122 14.168 -1.811 -9.063 1.00 0.00 C ATOM 1667 C GLY A 122 13.698 -1.304 -7.719 1.00 0.00 C ATOM 1668 O GLY A 122 14.270 -1.627 -6.677 1.00 0.00 O ATOM 0 H GLY A 122 13.153 -1.251 -10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.618 -2.796 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.944 -1.151 -9.450 1.00 0.00 H new ATOM 1672 N LEU A 123 12.633 -0.528 -7.757 1.00 0.00 N ATOM 1673 CA LEU A 123 12.055 0.059 -6.565 1.00 0.00 C ATOM 1674 C LEU A 123 11.342 -1.013 -5.739 1.00 0.00 C ATOM 1675 O LEU A 123 11.463 -1.050 -4.515 1.00 0.00 O ATOM 1676 CB LEU A 123 11.090 1.167 -6.998 1.00 0.00 C ATOM 1677 CG LEU A 123 10.699 2.200 -5.935 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.373 3.526 -6.599 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.503 1.717 -5.132 1.00 0.00 C ATOM 0 H LEU A 123 12.143 -0.286 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 123 12.834 0.486 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.538 1.698 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.178 0.698 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 123 11.541 2.334 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.096 4.256 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.246 3.884 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.543 3.391 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.242 2.465 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.656 1.561 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.752 0.779 -4.636 1.00 0.00 H new ATOM 1691 N ALA A 124 10.624 -1.907 -6.415 1.00 0.00 N ATOM 1692 CA ALA A 124 9.863 -2.945 -5.728 1.00 0.00 C ATOM 1693 C ALA A 124 10.705 -4.188 -5.447 1.00 0.00 C ATOM 1694 O ALA A 124 10.451 -4.913 -4.486 1.00 0.00 O ATOM 1695 CB ALA A 124 8.635 -3.335 -6.524 1.00 0.00 C ATOM 0 H ALA A 124 10.554 -1.933 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 124 9.555 -2.522 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.086 -4.110 -5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.995 -2.463 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.939 -3.713 -7.500 1.00 0.00 H new ATOM 1701 N MET A 125 11.706 -4.442 -6.287 1.00 0.00 N ATOM 1702 CA MET A 125 12.532 -5.641 -6.141 1.00 0.00 C ATOM 1703 C MET A 125 13.381 -5.587 -4.878 1.00 0.00 C ATOM 1704 O MET A 125 13.881 -6.611 -4.413 1.00 0.00 O ATOM 1705 CB MET A 125 13.429 -5.861 -7.362 1.00 0.00 C ATOM 1706 CG MET A 125 12.684 -6.369 -8.586 1.00 0.00 C ATOM 1707 SD MET A 125 13.789 -6.822 -9.939 1.00 0.00 S ATOM 1708 CE MET A 125 14.619 -5.264 -10.243 1.00 0.00 C ATOM 0 H MET A 125 11.964 -3.841 -7.069 1.00 0.00 H new ATOM 0 HA MET A 125 11.846 -6.484 -6.060 1.00 0.00 H new ATOM 0 HB2 MET A 125 13.923 -4.922 -7.612 1.00 0.00 H new ATOM 0 HB3 MET A 125 14.212 -6.574 -7.103 1.00 0.00 H new ATOM 0 HG2 MET A 125 12.084 -7.235 -8.307 1.00 0.00 H new ATOM 0 HG3 MET A 125 11.992 -5.600 -8.930 1.00 0.00 H new ATOM 0 HE1 MET A 125 15.256 -5.357 -11.123 1.00 0.00 H new ATOM 0 HE2 MET A 125 13.877 -4.484 -10.413 1.00 0.00 H new ATOM 0 HE3 MET A 125 15.229 -5.002 -9.379 1.00 0.00 H new ATOM 1718 N LYS A 126 13.547 -4.399 -4.321 1.00 0.00 N ATOM 1719 CA LYS A 126 14.264 -4.258 -3.066 1.00 0.00 C ATOM 1720 C LYS A 126 13.340 -4.603 -1.904 1.00 0.00 C ATOM 1721 O LYS A 126 13.778 -5.117 -0.877 1.00 0.00 O ATOM 1722 CB LYS A 126 14.804 -2.838 -2.905 1.00 0.00 C ATOM 1723 CG LYS A 126 15.795 -2.682 -1.762 1.00 0.00 C ATOM 1724 CD LYS A 126 17.084 -3.443 -2.029 1.00 0.00 C ATOM 1725 CE LYS A 126 18.094 -3.235 -0.913 1.00 0.00 C ATOM 1726 NZ LYS A 126 18.389 -1.794 -0.693 1.00 0.00 N ATOM 0 H LYS A 126 13.198 -3.525 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 126 15.110 -4.945 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 126 15.286 -2.535 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 126 13.968 -2.158 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 126 16.019 -1.625 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.344 -3.042 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.866 -4.506 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.513 -3.114 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.711 -3.672 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 126 19.017 -3.761 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.250 -1.700 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 18.533 -1.325 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.591 -1.348 -0.198 1.00 0.00 H new ATOM 1740 N LEU A 127 12.050 -4.340 -2.094 1.00 0.00 N ATOM 1741 CA LEU A 127 11.047 -4.582 -1.060 1.00 0.00 C ATOM 1742 C LEU A 127 11.004 -6.059 -0.684 1.00 0.00 C ATOM 1743 O LEU A 127 10.980 -6.412 0.494 1.00 0.00 O ATOM 1744 CB LEU A 127 9.661 -4.128 -1.540 1.00 0.00 C ATOM 1745 CG LEU A 127 9.559 -2.663 -1.976 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.122 -2.317 -2.332 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.079 -1.735 -0.887 1.00 0.00 C ATOM 0 H LEU A 127 11.672 -3.957 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 127 11.325 -4.004 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 127 9.361 -4.759 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 127 8.944 -4.300 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 127 10.180 -2.525 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.065 -1.273 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.786 -2.955 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.484 -2.474 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.996 -0.701 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.490 -1.872 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.124 -1.967 -0.680 1.00 0.00 H new ATOM 1759 N THR A 128 11.023 -6.917 -1.695 1.00 0.00 N ATOM 1760 CA THR A 128 10.947 -8.354 -1.477 1.00 0.00 C ATOM 1761 C THR A 128 12.232 -8.877 -0.832 1.00 0.00 C ATOM 1762 O THR A 128 12.221 -9.885 -0.124 1.00 0.00 O ATOM 1763 CB THR A 128 10.679 -9.099 -2.805 1.00 0.00 C ATOM 1764 OG1 THR A 128 10.384 -10.480 -2.561 1.00 0.00 O ATOM 1765 CG2 THR A 128 11.868 -8.996 -3.750 1.00 0.00 C ATOM 0 H THR A 128 11.090 -6.642 -2.675 1.00 0.00 H new ATOM 0 HA THR A 128 10.116 -8.543 -0.798 1.00 0.00 H new ATOM 0 HB THR A 128 9.818 -8.623 -3.275 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.126 -11.034 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 128 11.646 -9.531 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 128 12.064 -7.948 -3.975 1.00 0.00 H new ATOM 0 HG23 THR A 128 12.747 -9.436 -3.278 1.00 0.00 H new ATOM 1773 N ASP A 129 13.333 -8.172 -1.064 1.00 0.00 N ATOM 1774 CA ASP A 129 14.629 -8.583 -0.535 1.00 0.00 C ATOM 1775 C ASP A 129 14.771 -8.162 0.920 1.00 0.00 C ATOM 1776 O ASP A 129 15.402 -8.851 1.722 1.00 0.00 O ATOM 1777 CB ASP A 129 15.763 -7.982 -1.362 1.00 0.00 C ATOM 1778 CG ASP A 129 17.108 -8.595 -1.022 1.00 0.00 C ATOM 1779 OD1 ASP A 129 17.363 -9.747 -1.436 1.00 0.00 O ATOM 1780 OD2 ASP A 129 17.924 -7.927 -0.356 1.00 0.00 O ATOM 0 H ASP A 129 13.355 -7.314 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 129 14.689 -9.670 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 129 15.556 -8.130 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 129 15.803 -6.906 -1.193 1.00 0.00 H new ATOM 1785 N LEU A 130 14.168 -7.030 1.252 1.00 0.00 N ATOM 1786 CA LEU A 130 14.193 -6.511 2.617 1.00 0.00 C ATOM 1787 C LEU A 130 13.641 -7.520 3.617 1.00 0.00 C ATOM 1788 O LEU A 130 14.169 -7.658 4.723 1.00 0.00 O ATOM 1789 CB LEU A 130 13.412 -5.209 2.718 1.00 0.00 C ATOM 1790 CG LEU A 130 14.072 -4.007 2.044 1.00 0.00 C ATOM 1791 CD1 LEU A 130 13.622 -2.741 2.728 1.00 0.00 C ATOM 1792 CD2 LEU A 130 15.591 -4.115 2.077 1.00 0.00 C ATOM 0 H LEU A 130 13.652 -6.448 0.592 1.00 0.00 H new ATOM 0 HA LEU A 130 15.237 -6.322 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 130 12.427 -5.359 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 130 13.257 -4.976 3.772 1.00 0.00 H new ATOM 0 HG LEU A 130 13.767 -3.987 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.092 -1.882 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.538 -2.652 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 130 13.910 -2.773 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 130 16.028 -3.244 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 130 15.930 -4.160 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.903 -5.019 1.553 1.00 0.00 H new ATOM 1804 N GLN A 131 12.592 -8.239 3.229 1.00 0.00 N ATOM 1805 CA GLN A 131 11.976 -9.200 4.133 1.00 0.00 C ATOM 1806 C GLN A 131 12.808 -10.474 4.226 1.00 0.00 C ATOM 1807 O GLN A 131 12.670 -11.244 5.174 1.00 0.00 O ATOM 1808 CB GLN A 131 10.540 -9.525 3.713 1.00 0.00 C ATOM 1809 CG GLN A 131 10.419 -10.420 2.492 1.00 0.00 C ATOM 1810 CD GLN A 131 8.982 -10.810 2.218 1.00 0.00 C ATOM 1811 OE1 GLN A 131 8.060 -10.043 2.488 1.00 0.00 O ATOM 1812 NE2 GLN A 131 8.776 -12.012 1.705 1.00 0.00 N ATOM 0 H GLN A 131 12.157 -8.175 2.309 1.00 0.00 H new ATOM 0 HA GLN A 131 11.939 -8.741 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.032 -10.005 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.015 -8.591 3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 131 10.827 -9.905 1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 131 11.017 -11.319 2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 131 9.568 -12.619 1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 131 7.825 -12.331 1.520 1.00 0.00 H new ATOM 1821 N ARG A 132 13.677 -10.697 3.244 1.00 0.00 N ATOM 1822 CA ARG A 132 14.607 -11.811 3.300 1.00 0.00 C ATOM 1823 C ARG A 132 15.573 -11.587 4.450 1.00 0.00 C ATOM 1824 O ARG A 132 15.848 -12.488 5.245 1.00 0.00 O ATOM 1825 CB ARG A 132 15.385 -11.938 1.997 1.00 0.00 C ATOM 1826 CG ARG A 132 14.513 -12.069 0.764 1.00 0.00 C ATOM 1827 CD ARG A 132 15.355 -12.182 -0.495 1.00 0.00 C ATOM 1828 NE ARG A 132 16.165 -13.398 -0.491 1.00 0.00 N ATOM 1829 CZ ARG A 132 17.462 -13.437 -0.785 1.00 0.00 C ATOM 1830 NH1 ARG A 132 18.111 -12.329 -1.123 1.00 0.00 N ATOM 1831 NH2 ARG A 132 18.115 -14.591 -0.744 1.00 0.00 N ATOM 0 H ARG A 132 13.753 -10.122 2.405 1.00 0.00 H new ATOM 0 HA ARG A 132 14.045 -12.733 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.027 -11.064 1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.039 -12.808 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 132 13.875 -12.948 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 132 13.854 -11.204 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 132 14.705 -12.180 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 132 16.005 -11.311 -0.578 1.00 0.00 H new ATOM 0 HE ARG A 132 15.706 -14.275 -0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 132 17.615 -11.438 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.105 -12.369 -1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 132 17.623 -15.447 -0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 132 19.109 -14.623 -0.969 1.00 0.00 H new ATOM 1845 N GLN A 133 16.060 -10.355 4.536 1.00 0.00 N ATOM 1846 CA GLN A 133 16.949 -9.941 5.610 1.00 0.00 C ATOM 1847 C GLN A 133 16.226 -10.003 6.950 1.00 0.00 C ATOM 1848 O GLN A 133 16.793 -10.433 7.954 1.00 0.00 O ATOM 1849 CB GLN A 133 17.437 -8.516 5.367 1.00 0.00 C ATOM 1850 CG GLN A 133 18.114 -8.314 4.024 1.00 0.00 C ATOM 1851 CD GLN A 133 18.461 -6.863 3.771 1.00 0.00 C ATOM 1852 OE1 GLN A 133 17.775 -5.955 4.247 1.00 0.00 O ATOM 1853 NE2 GLN A 133 19.525 -6.632 3.024 1.00 0.00 N ATOM 0 H GLN A 133 15.849 -9.617 3.864 1.00 0.00 H new ATOM 0 HA GLN A 133 17.802 -10.619 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 133 16.589 -7.835 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 133 18.135 -8.242 6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 133 19.022 -8.915 3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 133 17.458 -8.673 3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.065 -7.412 2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 133 19.807 -5.673 2.821 1.00 0.00 H new ATOM 1862 N ALA A 134 14.967 -9.570 6.950 1.00 0.00 N ATOM 1863 CA ALA A 134 14.154 -9.547 8.162 1.00 0.00 C ATOM 1864 C ALA A 134 13.888 -10.957 8.676 1.00 0.00 C ATOM 1865 O ALA A 134 13.873 -11.194 9.884 1.00 0.00 O ATOM 1866 CB ALA A 134 12.841 -8.821 7.905 1.00 0.00 C ATOM 0 H ALA A 134 14.486 -9.228 6.118 1.00 0.00 H new ATOM 0 HA ALA A 134 14.711 -9.009 8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 134 12.245 -8.812 8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 134 13.046 -7.796 7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 134 12.290 -9.334 7.117 1.00 0.00 H new ATOM 1872 N ALA A 135 13.675 -11.891 7.756 1.00 0.00 N ATOM 1873 CA ALA A 135 13.441 -13.282 8.121 1.00 0.00 C ATOM 1874 C ALA A 135 14.711 -13.916 8.677 1.00 0.00 C ATOM 1875 O ALA A 135 14.656 -14.792 9.540 1.00 0.00 O ATOM 1876 CB ALA A 135 12.934 -14.070 6.923 1.00 0.00 C ATOM 0 H ALA A 135 13.660 -11.710 6.752 1.00 0.00 H new ATOM 0 HA ALA A 135 12.678 -13.306 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.765 -15.107 7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.999 -13.635 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 135 13.675 -14.034 6.124 1.00 0.00 H new ATOM 1882 N GLY A 136 15.852 -13.476 8.168 1.00 0.00 N ATOM 1883 CA GLY A 136 17.123 -13.965 8.663 1.00 0.00 C ATOM 1884 C GLY A 136 17.646 -15.127 7.851 1.00 0.00 C ATOM 1885 O GLY A 136 18.858 -15.342 7.777 1.00 0.00 O ATOM 0 H GLY A 136 15.921 -12.787 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 136 17.853 -13.155 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 136 17.012 -14.272 9.703 1.00 0.00 H new ATOM 1889 N ARG A 137 16.724 -15.870 7.239 1.00 0.00 N ATOM 1890 CA ARG A 137 17.058 -17.047 6.440 1.00 0.00 C ATOM 1891 C ARG A 137 17.764 -18.094 7.291 1.00 0.00 C ATOM 1892 O ARG A 137 18.994 -18.132 7.368 1.00 0.00 O ATOM 1893 CB ARG A 137 17.931 -16.665 5.239 1.00 0.00 C ATOM 1894 CG ARG A 137 17.185 -15.927 4.137 1.00 0.00 C ATOM 1895 CD ARG A 137 16.203 -16.841 3.418 1.00 0.00 C ATOM 1896 NE ARG A 137 16.871 -18.002 2.827 1.00 0.00 N ATOM 1897 CZ ARG A 137 16.278 -18.879 2.015 1.00 0.00 C ATOM 1898 NH1 ARG A 137 15.012 -18.710 1.649 1.00 0.00 N ATOM 1899 NH2 ARG A 137 16.962 -19.918 1.555 1.00 0.00 N ATOM 0 H ARG A 137 15.724 -15.672 7.284 1.00 0.00 H new ATOM 0 HA ARG A 137 16.126 -17.472 6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 137 18.754 -16.041 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 137 18.371 -17.570 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 137 16.649 -15.079 4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 137 17.900 -15.523 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 137 15.441 -17.179 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 137 15.690 -16.280 2.636 1.00 0.00 H new ATOM 0 HE ARG A 137 17.855 -18.150 3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 137 14.486 -17.905 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 137 14.566 -19.385 1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 137 17.938 -20.045 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 137 16.512 -20.590 0.934 1.00 0.00 H new ATOM 1913 N ILE A 138 16.975 -18.951 7.921 1.00 0.00 N ATOM 1914 CA ILE A 138 17.513 -20.017 8.753 1.00 0.00 C ATOM 1915 C ILE A 138 17.942 -21.191 7.886 1.00 0.00 C ATOM 1916 O ILE A 138 19.122 -21.544 7.832 1.00 0.00 O ATOM 1917 CB ILE A 138 16.484 -20.493 9.818 1.00 0.00 C ATOM 1918 CG1 ILE A 138 16.413 -19.510 10.995 1.00 0.00 C ATOM 1919 CG2 ILE A 138 16.814 -21.894 10.322 1.00 0.00 C ATOM 1920 CD1 ILE A 138 15.803 -18.168 10.655 1.00 0.00 C ATOM 0 H ILE A 138 15.956 -18.929 7.872 1.00 0.00 H new ATOM 0 HA ILE A 138 18.379 -19.618 9.281 1.00 0.00 H new ATOM 0 HB ILE A 138 15.508 -20.525 9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 138 15.833 -19.965 11.798 1.00 0.00 H new ATOM 0 HG13 ILE A 138 17.420 -19.350 11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 138 16.076 -22.197 11.065 1.00 0.00 H new ATOM 0 HG22 ILE A 138 16.797 -22.594 9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 138 17.805 -21.894 10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 138 15.793 -17.537 11.544 1.00 0.00 H new ATOM 0 HD12 ILE A 138 16.394 -17.687 9.876 1.00 0.00 H new ATOM 0 HD13 ILE A 138 14.782 -18.312 10.300 1.00 0.00 H new ATOM 1932 N GLU A 139 16.981 -21.776 7.194 1.00 0.00 N ATOM 1933 CA GLU A 139 17.243 -22.931 6.361 1.00 0.00 C ATOM 1934 C GLU A 139 17.354 -22.513 4.901 1.00 0.00 C ATOM 1935 O GLU A 139 16.887 -21.436 4.519 1.00 0.00 O ATOM 1936 CB GLU A 139 16.135 -23.965 6.552 1.00 0.00 C ATOM 1937 CG GLU A 139 14.779 -23.513 6.037 1.00 0.00 C ATOM 1938 CD GLU A 139 13.698 -24.546 6.261 1.00 0.00 C ATOM 1939 OE1 GLU A 139 13.588 -25.485 5.447 1.00 0.00 O ATOM 1940 OE2 GLU A 139 12.941 -24.416 7.243 1.00 0.00 O ATOM 0 H GLU A 139 16.009 -21.467 7.194 1.00 0.00 H new ATOM 0 HA GLU A 139 18.191 -23.381 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 139 16.418 -24.886 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 139 16.050 -24.201 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.497 -22.584 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.853 -23.295 4.972 1.00 0.00 H new ATOM 1947 N SER A 140 17.975 -23.356 4.091 1.00 0.00 N ATOM 1948 CA SER A 140 18.160 -23.049 2.687 1.00 0.00 C ATOM 1949 C SER A 140 17.817 -24.258 1.826 1.00 0.00 C ATOM 1950 O SER A 140 18.654 -25.132 1.597 1.00 0.00 O ATOM 1951 CB SER A 140 19.600 -22.596 2.424 1.00 0.00 C ATOM 1952 OG SER A 140 19.766 -22.149 1.085 1.00 0.00 O ATOM 0 H SER A 140 18.358 -24.255 4.383 1.00 0.00 H new ATOM 0 HA SER A 140 17.486 -22.234 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 140 19.862 -21.793 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 140 20.285 -23.421 2.621 1.00 0.00 H new ATOM 0 HG SER A 140 20.694 -21.865 0.948 1.00 0.00 H new ATOM 1958 N ILE A 141 16.579 -24.305 1.370 1.00 0.00 N ATOM 1959 CA ILE A 141 16.143 -25.339 0.451 1.00 0.00 C ATOM 1960 C ILE A 141 15.680 -24.707 -0.861 1.00 0.00 C ATOM 1961 O ILE A 141 16.444 -24.767 -1.843 1.00 0.00 O ATOM 1962 CB ILE A 141 15.033 -26.232 1.063 1.00 0.00 C ATOM 1963 CG1 ILE A 141 14.468 -27.185 0.001 1.00 0.00 C ATOM 1964 CG2 ILE A 141 13.927 -25.392 1.693 1.00 0.00 C ATOM 1965 CD1 ILE A 141 13.441 -28.159 0.535 1.00 0.00 C ATOM 1966 OXT ILE A 141 14.582 -24.107 -0.897 1.00 0.00 O ATOM 0 H ILE A 141 15.854 -23.634 1.623 1.00 0.00 H new ATOM 0 HA ILE A 141 16.993 -25.991 0.250 1.00 0.00 H new ATOM 0 HB ILE A 141 15.479 -26.829 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 141 14.016 -26.597 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 141 15.290 -27.746 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 141 13.165 -26.049 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 141 14.347 -24.772 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 141 13.477 -24.754 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 141 13.090 -28.798 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 141 13.893 -28.775 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 141 12.599 -27.607 0.953 1.00 0.00 H new TER 1978 ILE A 141