USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 814 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 67 TYR OH : rot -157:sc= 0.0585 USER MOD Set 1.2: A 80 MET CE :methyl 180:sc=-0.00535 (180deg=0) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 THR OG1 : rot -170:sc= -2.04 USER MOD Set 3.2: A 31 ASN : amide:sc= -5.83! C(o=-7.9!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -0.213 (180deg=-0.877) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0197 USER MOD Single : A 15 SER OG : rot -74:sc= 1.1 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.0422 K(o=0.042,f=-5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 33 HIS : no HD1:sc= -0.362 X(o=-0.36,f=0.069) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.127 (180deg=-0.655) USER MOD Single : A 40 THR OG1 : rot 51:sc= 0.131 USER MOD Single : A 42 GLN : amide:sc= -10.5! C(o=-11!,f=-16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -5.07! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.48 F(o=-2.5,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.2 F(o=-2,f=-0.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -142:sc= -0.112 USER MOD Single : A 65 MET CE :methyl 158:sc= -1.17 (180deg=-1.68) USER MOD Single : A 70 ASN : amide:sc= -2.29 X(o=-2.3,f=-2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 137:sc= -0.259 (180deg=-1.45) USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.128) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -1.18 (180deg=-2.27!) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00575) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 142:sc= 0.0152 (180deg=-0.221) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -150:sc= -0.0296 USER MOD Single : A 103 ASN : amide:sc= -0.0378 K(o=-0.038,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.493 -0.394 -0.113 1.00 24.45 N ATOM 2 CA GLY A 1 2.200 -0.263 -1.376 1.00 4.32 C ATOM 3 C GLY A 1 1.957 -1.481 -2.269 1.00 34.12 C ATOM 4 O GLY A 1 2.474 -2.564 -2.002 1.00 52.20 O ATOM 0 H1 GLY A 1 1.674 0.445 0.475 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.472 -0.477 -0.294 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.826 -1.244 0.385 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.870 0.640 -1.889 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.268 -0.152 -1.189 1.00 4.32 H new ATOM 8 N ASP A 2 1.170 -1.262 -3.313 1.00 42.55 N ATOM 9 CA ASP A 2 0.852 -2.328 -4.248 1.00 3.31 C ATOM 10 C ASP A 2 2.141 -3.044 -4.655 1.00 4.41 C ATOM 11 O ASP A 2 3.035 -2.435 -5.243 1.00 51.34 O ATOM 12 CB ASP A 2 0.199 -1.773 -5.514 1.00 52.41 C ATOM 13 CG ASP A 2 -1.328 -1.674 -5.465 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.966 -1.177 -6.404 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.869 -2.140 -4.391 1.00 63.42 O1- ATOM 0 H ASP A 2 0.743 -0.362 -3.532 1.00 42.55 H new ATOM 0 HA ASP A 2 0.161 -3.013 -3.757 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.606 -0.781 -5.710 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.480 -2.405 -6.357 1.00 52.41 H new ATOM 21 N VAL A 3 2.197 -4.326 -4.327 1.00 75.13 N ATOM 22 CA VAL A 3 3.362 -5.132 -4.652 1.00 75.34 C ATOM 23 C VAL A 3 3.301 -5.539 -6.125 1.00 13.43 C ATOM 24 O VAL A 3 4.315 -5.519 -6.821 1.00 74.44 O ATOM 25 CB VAL A 3 3.451 -6.329 -3.705 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.944 -5.963 -2.308 1.00 34.45 C ATOM 27 CG2 VAL A 3 2.690 -7.531 -4.266 1.00 44.44 C ATOM 0 H VAL A 3 1.454 -4.827 -3.839 1.00 75.13 H new ATOM 0 HA VAL A 3 4.276 -4.555 -4.512 1.00 75.34 H new ATOM 0 HB VAL A 3 4.501 -6.608 -3.618 1.00 52.14 H new ATOM 0 HG11 VAL A 3 3.018 -6.832 -1.655 1.00 34.45 H new ATOM 0 HG12 VAL A 3 3.548 -5.152 -1.903 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.904 -5.644 -2.371 1.00 34.45 H new ATOM 0 HG21 VAL A 3 2.770 -8.368 -3.572 1.00 44.44 H new ATOM 0 HG22 VAL A 3 1.640 -7.268 -4.398 1.00 44.44 H new ATOM 0 HG23 VAL A 3 3.117 -7.815 -5.228 1.00 44.44 H new ATOM 37 N GLU A 4 2.102 -5.899 -6.557 1.00 51.25 N ATOM 38 CA GLU A 4 1.894 -6.310 -7.936 1.00 54.55 C ATOM 39 C GLU A 4 2.601 -5.345 -8.889 1.00 41.14 C ATOM 40 O GLU A 4 3.378 -5.769 -9.744 1.00 54.03 O ATOM 41 CB GLU A 4 0.402 -6.409 -8.260 1.00 30.12 C ATOM 42 CG GLU A 4 -0.299 -7.392 -7.322 1.00 30.34 C ATOM 43 CD GLU A 4 -1.009 -6.653 -6.185 1.00 64.34 C ATOM 44 OE1 GLU A 4 -1.811 -7.258 -5.458 1.00 52.43 O ATOM 45 OE2 GLU A 4 -0.699 -5.406 -6.068 1.00 73.12 O1- ATOM 0 H GLU A 4 1.263 -5.915 -5.977 1.00 51.25 H new ATOM 0 HA GLU A 4 2.326 -7.302 -8.069 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.059 -5.425 -8.172 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.271 -6.731 -9.293 1.00 30.12 H new ATOM 0 HG2 GLU A 4 -1.022 -7.984 -7.884 1.00 30.34 H new ATOM 0 HG3 GLU A 4 0.430 -8.089 -6.908 1.00 30.34 H new ATOM 53 N LYS A 5 2.305 -4.066 -8.712 1.00 75.51 N ATOM 54 CA LYS A 5 2.903 -3.037 -9.547 1.00 13.03 C ATOM 55 C LYS A 5 4.424 -3.197 -9.536 1.00 44.51 C ATOM 56 O LYS A 5 5.090 -2.905 -10.528 1.00 62.31 O ATOM 57 CB LYS A 5 2.427 -1.650 -9.109 1.00 32.11 C ATOM 58 CG LYS A 5 1.121 -1.271 -9.811 1.00 40.51 C ATOM 59 CD LYS A 5 -0.023 -2.186 -9.370 1.00 51.43 C ATOM 60 CE LYS A 5 -1.287 -1.916 -10.188 1.00 34.33 C ATOM 61 NZ LYS A 5 -1.280 -2.719 -11.432 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.659 -3.718 -8.003 1.00 75.51 H new ATOM 0 HA LYS A 5 2.579 -3.149 -10.582 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.281 -1.636 -8.029 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.194 -0.910 -9.336 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.870 -0.234 -9.586 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.251 -1.340 -10.891 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.274 -3.228 -9.487 1.00 51.43 H new ATOM 0 HD3 LYS A 5 -0.230 -2.030 -8.311 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -2.169 -2.159 -9.596 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.350 -0.856 -10.433 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -2.145 -2.524 -11.976 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -0.448 -2.467 -12.003 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -1.242 -3.730 -11.192 1.00 61.11 H new ATOM 74 N GLY A 6 4.931 -3.661 -8.403 1.00 33.14 N ATOM 75 CA GLY A 6 6.361 -3.864 -8.250 1.00 41.25 C ATOM 76 C GLY A 6 6.767 -5.267 -8.707 1.00 61.35 C ATOM 77 O GLY A 6 7.935 -5.511 -9.011 1.00 72.04 O ATOM 0 H GLY A 6 4.376 -3.902 -7.582 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.902 -3.117 -8.831 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.643 -3.722 -7.207 1.00 41.25 H new ATOM 81 N LYS A 7 5.783 -6.152 -8.741 1.00 54.25 N ATOM 82 CA LYS A 7 6.024 -7.524 -9.155 1.00 13.43 C ATOM 83 C LYS A 7 6.257 -7.562 -10.667 1.00 11.22 C ATOM 84 O LYS A 7 7.025 -8.386 -11.160 1.00 40.24 O ATOM 85 CB LYS A 7 4.887 -8.433 -8.685 1.00 12.01 C ATOM 86 CG LYS A 7 5.363 -9.882 -8.551 1.00 61.14 C ATOM 87 CD LYS A 7 4.646 -10.591 -7.400 1.00 21.42 C ATOM 88 CE LYS A 7 3.129 -10.425 -7.514 1.00 53.44 C ATOM 89 NZ LYS A 7 2.678 -10.723 -8.892 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.816 -5.946 -8.489 1.00 54.25 H new ATOM 0 HA LYS A 7 6.927 -7.912 -8.683 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.508 -8.081 -7.726 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.060 -8.382 -9.393 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.179 -10.417 -9.483 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.439 -9.901 -8.380 1.00 61.14 H new ATOM 0 HD2 LYS A 7 4.901 -11.651 -7.406 1.00 21.42 H new ATOM 0 HD3 LYS A 7 4.989 -10.186 -6.448 1.00 21.42 H new ATOM 0 HE2 LYS A 7 2.630 -11.091 -6.810 1.00 53.44 H new ATOM 0 HE3 LYS A 7 2.847 -9.407 -7.245 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 1.752 -11.195 -8.860 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 2.596 -9.837 -9.430 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.369 -11.347 -9.356 1.00 74.43 H new ATOM 102 N LYS A 8 5.577 -6.661 -11.360 1.00 45.33 N ATOM 103 CA LYS A 8 5.700 -6.581 -12.806 1.00 12.01 C ATOM 104 C LYS A 8 6.876 -5.670 -13.164 1.00 54.24 C ATOM 105 O LYS A 8 7.463 -5.801 -14.237 1.00 40.24 O ATOM 106 CB LYS A 8 4.373 -6.146 -13.433 1.00 14.42 C ATOM 107 CG LYS A 8 3.241 -7.093 -13.030 1.00 34.03 C ATOM 108 CD LYS A 8 3.513 -8.516 -13.522 1.00 33.34 C ATOM 109 CE LYS A 8 2.260 -9.386 -13.406 1.00 60.43 C ATOM 110 NZ LYS A 8 2.629 -10.818 -13.330 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.939 -5.980 -10.948 1.00 45.33 H new ATOM 0 HA LYS A 8 5.918 -7.564 -13.225 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.133 -5.131 -13.117 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.468 -6.128 -14.519 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.132 -7.094 -11.945 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.298 -6.735 -13.444 1.00 34.03 H new ATOM 0 HD2 LYS A 8 3.846 -8.488 -14.560 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.322 -8.958 -12.940 1.00 33.34 H new ATOM 0 HE2 LYS A 8 1.694 -9.103 -12.519 1.00 60.43 H new ATOM 0 HE3 LYS A 8 1.611 -9.216 -14.265 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 1.767 -11.395 -13.252 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 3.150 -11.088 -14.189 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 3.230 -10.978 -12.496 1.00 31.43 H new ATOM 123 N ILE A 9 7.186 -4.768 -12.245 1.00 72.22 N ATOM 124 CA ILE A 9 8.282 -3.836 -12.450 1.00 63.35 C ATOM 125 C ILE A 9 9.599 -4.511 -12.062 1.00 74.32 C ATOM 126 O ILE A 9 10.650 -4.199 -12.621 1.00 34.45 O ATOM 127 CB ILE A 9 8.019 -2.527 -11.705 1.00 33.41 C ATOM 128 CG1 ILE A 9 6.822 -1.785 -12.305 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.275 -1.654 -11.669 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.284 -0.735 -11.331 1.00 3.44 C ATOM 0 H ILE A 9 6.697 -4.662 -11.356 1.00 72.22 H new ATOM 0 HA ILE A 9 8.360 -3.566 -13.503 1.00 63.35 H new ATOM 0 HB ILE A 9 7.764 -2.767 -10.673 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.118 -1.304 -13.237 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.034 -2.497 -12.550 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.060 -0.729 -11.133 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.076 -2.190 -11.160 1.00 10.42 H new ATOM 0 HG23 ILE A 9 9.585 -1.420 -12.688 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.434 -0.222 -11.782 1.00 3.44 H new ATOM 0 HD12 ILE A 9 5.967 -1.223 -10.409 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.067 -0.011 -11.107 1.00 3.44 H new ATOM 142 N PHE A 10 9.500 -5.425 -11.106 1.00 22.51 N ATOM 143 CA PHE A 10 10.670 -6.146 -10.637 1.00 30.30 C ATOM 144 C PHE A 10 11.069 -7.246 -11.623 1.00 54.03 C ATOM 145 O PHE A 10 12.222 -7.671 -11.652 1.00 62.33 O ATOM 146 CB PHE A 10 10.294 -6.788 -9.300 1.00 71.01 C ATOM 147 CG PHE A 10 11.253 -7.889 -8.846 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.468 -7.563 -8.330 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.891 -9.196 -8.959 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.359 -8.586 -7.909 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.781 -10.218 -8.538 1.00 63.41 C ATOM 152 CZ PHE A 10 12.996 -9.892 -8.022 1.00 72.24 C ATOM 0 H PHE A 10 8.627 -5.682 -10.645 1.00 22.51 H new ATOM 0 HA PHE A 10 11.513 -5.462 -10.537 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.258 -6.013 -8.534 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.290 -7.205 -9.379 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.756 -6.526 -8.240 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.926 -9.455 -9.369 1.00 65.44 H new ATOM 0 HE1 PHE A 10 14.324 -8.327 -7.499 1.00 45.31 H new ATOM 0 HE2 PHE A 10 11.493 -11.255 -8.627 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.673 -10.670 -7.702 1.00 72.24 H new ATOM 162 N ILE A 11 10.091 -7.676 -12.407 1.00 5.51 N ATOM 163 CA ILE A 11 10.325 -8.718 -13.392 1.00 1.20 C ATOM 164 C ILE A 11 10.829 -8.083 -14.690 1.00 50.30 C ATOM 165 O ILE A 11 11.890 -8.450 -15.193 1.00 63.10 O ATOM 166 CB ILE A 11 9.071 -9.576 -13.573 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.709 -10.299 -12.274 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.235 -10.547 -14.743 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.250 -10.758 -12.289 1.00 31.21 C ATOM 0 H ILE A 11 9.135 -7.322 -12.380 1.00 5.51 H new ATOM 0 HA ILE A 11 11.102 -9.400 -13.048 1.00 1.20 H new ATOM 0 HB ILE A 11 8.238 -8.916 -13.817 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.363 -11.160 -12.139 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.876 -9.635 -11.426 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.330 -11.145 -14.850 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.409 -9.985 -15.661 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.084 -11.205 -14.554 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.020 -11.269 -11.354 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.597 -9.892 -12.400 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.092 -11.441 -13.124 1.00 31.21 H new ATOM 181 N MET A 12 10.043 -7.144 -15.195 1.00 24.33 N ATOM 182 CA MET A 12 10.396 -6.455 -16.425 1.00 1.20 C ATOM 183 C MET A 12 11.762 -5.778 -16.302 1.00 33.53 C ATOM 184 O MET A 12 12.368 -5.406 -17.306 1.00 42.35 O ATOM 185 CB MET A 12 9.332 -5.404 -16.744 1.00 60.40 C ATOM 186 CG MET A 12 8.153 -6.027 -17.495 1.00 23.04 C ATOM 187 SD MET A 12 7.203 -4.751 -18.306 1.00 15.25 S ATOM 188 CE MET A 12 5.888 -4.541 -17.119 1.00 65.42 C ATOM 0 H MET A 12 9.163 -6.844 -14.775 1.00 24.33 H new ATOM 0 HA MET A 12 10.447 -7.189 -17.229 1.00 1.20 H new ATOM 0 HB2 MET A 12 8.978 -4.947 -15.820 1.00 60.40 H new ATOM 0 HB3 MET A 12 9.771 -4.608 -17.345 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.518 -6.744 -18.231 1.00 23.04 H new ATOM 0 HG3 MET A 12 7.519 -6.578 -16.800 1.00 23.04 H new ATOM 0 HE1 MET A 12 5.199 -3.774 -17.472 1.00 65.42 H new ATOM 0 HE2 MET A 12 5.352 -5.483 -16.999 1.00 65.42 H new ATOM 0 HE3 MET A 12 6.308 -4.238 -16.160 1.00 65.42 H new ATOM 198 N LYS A 13 12.209 -5.638 -15.061 1.00 62.15 N ATOM 199 CA LYS A 13 13.492 -5.013 -14.794 1.00 62.04 C ATOM 200 C LYS A 13 14.445 -6.050 -14.197 1.00 3.45 C ATOM 201 O LYS A 13 15.642 -6.036 -14.484 1.00 2.42 O ATOM 202 CB LYS A 13 13.310 -3.770 -13.920 1.00 42.23 C ATOM 203 CG LYS A 13 12.490 -2.703 -14.648 1.00 64.41 C ATOM 204 CD LYS A 13 12.446 -1.401 -13.845 1.00 24.41 C ATOM 205 CE LYS A 13 11.174 -0.610 -14.154 1.00 3.12 C ATOM 206 NZ LYS A 13 11.348 0.192 -15.384 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.704 -5.947 -14.230 1.00 62.15 H new ATOM 0 HA LYS A 13 13.944 -4.660 -15.721 1.00 62.04 H new ATOM 0 HB2 LYS A 13 12.812 -4.045 -12.990 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.285 -3.364 -13.652 1.00 42.23 H new ATOM 0 HG2 LYS A 13 12.923 -2.514 -15.630 1.00 64.41 H new ATOM 0 HG3 LYS A 13 11.476 -3.068 -14.812 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.489 -1.625 -12.779 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.321 -0.795 -14.079 1.00 24.41 H new ATOM 0 HE2 LYS A 13 10.334 -1.294 -14.275 1.00 3.12 H new ATOM 0 HE3 LYS A 13 10.934 0.045 -13.317 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 10.475 0.723 -15.579 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 12.137 0.858 -15.256 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 11.555 -0.440 -16.184 1.00 43.44 H new ATOM 219 N CYS A 14 13.880 -6.923 -13.377 1.00 12.24 N ATOM 220 CA CYS A 14 14.665 -7.965 -12.737 1.00 32.54 C ATOM 221 C CYS A 14 13.956 -9.303 -12.955 1.00 32.32 C ATOM 222 O CYS A 14 13.266 -9.796 -12.064 1.00 22.25 O ATOM 223 CB CYS A 14 14.889 -7.673 -11.251 1.00 14.53 C ATOM 224 SG CYS A 14 14.792 -5.904 -10.795 1.00 23.33 S ATOM 0 H CYS A 14 12.888 -6.931 -13.141 1.00 12.24 H new ATOM 0 HA CYS A 14 15.658 -8.003 -13.186 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.149 -8.225 -10.671 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.869 -8.055 -10.964 1.00 14.53 H new ATOM 0 HG CYS A 14 14.994 -5.773 -9.517 1.00 23.33 H new ATOM 229 N SER A 15 14.149 -9.852 -14.145 1.00 63.31 N ATOM 230 CA SER A 15 13.537 -11.124 -14.490 1.00 52.21 C ATOM 231 C SER A 15 14.619 -12.152 -14.828 1.00 14.32 C ATOM 232 O SER A 15 15.618 -11.820 -15.464 1.00 24.42 O ATOM 233 CB SER A 15 12.569 -10.967 -15.664 1.00 24.11 C ATOM 234 OG SER A 15 13.045 -10.031 -16.628 1.00 62.04 O ATOM 0 H SER A 15 14.720 -9.439 -14.882 1.00 63.31 H new ATOM 0 HA SER A 15 12.969 -11.475 -13.629 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.419 -11.935 -16.142 1.00 24.11 H new ATOM 0 HB3 SER A 15 11.598 -10.642 -15.292 1.00 24.11 H new ATOM 0 HG SER A 15 12.950 -9.121 -16.276 1.00 62.04 H new ATOM 240 N GLN A 16 14.383 -13.379 -14.388 1.00 3.25 N ATOM 241 CA GLN A 16 15.324 -14.457 -14.635 1.00 0.11 C ATOM 242 C GLN A 16 16.757 -13.976 -14.395 1.00 64.21 C ATOM 243 O GLN A 16 17.663 -14.306 -15.159 1.00 52.24 O ATOM 244 CB GLN A 16 15.163 -15.011 -16.053 1.00 55.01 C ATOM 245 CG GLN A 16 14.046 -16.055 -16.109 1.00 51.45 C ATOM 246 CD GLN A 16 13.473 -16.170 -17.522 1.00 65.25 C ATOM 247 OE1 GLN A 16 13.983 -16.883 -18.371 1.00 12.42 O ATOM 248 NE2 GLN A 16 12.387 -15.430 -17.728 1.00 43.12 N ATOM 0 H GLN A 16 13.553 -13.650 -13.861 1.00 3.25 H new ATOM 0 HA GLN A 16 15.111 -15.266 -13.937 1.00 0.11 H new ATOM 0 HB2 GLN A 16 14.940 -14.197 -16.742 1.00 55.01 H new ATOM 0 HB3 GLN A 16 16.101 -15.459 -16.381 1.00 55.01 H new ATOM 0 HG2 GLN A 16 14.432 -17.023 -15.789 1.00 51.45 H new ATOM 0 HG3 GLN A 16 13.253 -15.782 -15.412 1.00 51.45 H new ATOM 0 HE21 GLN A 16 12.011 -14.855 -16.974 1.00 43.12 H new ATOM 0 HE22 GLN A 16 11.930 -15.438 -18.640 1.00 43.12 H new ATOM 257 N CYS A 17 16.917 -13.204 -13.331 1.00 41.41 N ATOM 258 CA CYS A 17 18.225 -12.674 -12.980 1.00 75.41 C ATOM 259 C CYS A 17 18.376 -12.738 -11.459 1.00 51.53 C ATOM 260 O CYS A 17 19.382 -13.233 -10.953 1.00 52.44 O ATOM 261 CB CYS A 17 18.421 -11.253 -13.515 1.00 31.53 C ATOM 262 SG CYS A 17 20.094 -10.903 -14.167 1.00 22.31 S ATOM 0 H CYS A 17 16.163 -12.932 -12.700 1.00 41.41 H new ATOM 0 HA CYS A 17 19.003 -13.278 -13.447 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.693 -11.074 -14.306 1.00 31.53 H new ATOM 0 HB3 CYS A 17 18.203 -10.545 -12.715 1.00 31.53 H new ATOM 0 HG CYS A 17 20.146 -9.676 -14.594 1.00 22.31 H new ATOM 267 N HIS A 18 17.363 -12.230 -10.774 1.00 64.33 N ATOM 268 CA HIS A 18 17.372 -12.223 -9.320 1.00 50.04 C ATOM 269 C HIS A 18 16.504 -13.370 -8.797 1.00 45.23 C ATOM 270 O HIS A 18 15.978 -14.160 -9.578 1.00 13.43 O ATOM 271 CB HIS A 18 16.940 -10.859 -8.781 1.00 30.21 C ATOM 272 CG HIS A 18 18.089 -9.958 -8.394 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.965 -10.261 -7.366 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.498 -8.764 -8.909 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.855 -9.285 -7.274 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.565 -8.358 -8.232 1.00 4.41 N ATOM 0 H HIS A 18 16.531 -11.820 -11.198 1.00 64.33 H new ATOM 0 HA HIS A 18 18.387 -12.387 -8.957 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.336 -10.356 -9.536 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.301 -11.010 -7.911 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.931 -11.095 -6.779 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.033 -8.237 -9.729 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.668 -9.232 -6.565 1.00 1.34 H new ATOM 284 N THR A 19 16.382 -13.422 -7.479 1.00 3.13 N ATOM 285 CA THR A 19 15.587 -14.458 -6.841 1.00 10.30 C ATOM 286 C THR A 19 15.055 -13.969 -5.494 1.00 53.54 C ATOM 287 O THR A 19 15.775 -13.321 -4.735 1.00 63.55 O ATOM 288 CB THR A 19 16.451 -15.717 -6.733 1.00 22.40 C ATOM 289 OG1 THR A 19 17.680 -15.248 -6.186 1.00 12.31 O ATOM 290 CG2 THR A 19 16.842 -16.278 -8.101 1.00 53.02 C ATOM 0 H THR A 19 16.820 -12.764 -6.835 1.00 3.13 H new ATOM 0 HA THR A 19 14.705 -14.701 -7.434 1.00 10.30 H new ATOM 0 HB THR A 19 15.913 -16.479 -6.169 1.00 22.40 H new ATOM 0 HG1 THR A 19 18.350 -15.962 -6.228 1.00 12.31 H new ATOM 0 HG21 THR A 19 17.454 -17.170 -7.967 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.942 -16.536 -8.659 1.00 53.02 H new ATOM 0 HG23 THR A 19 17.409 -15.529 -8.653 1.00 53.02 H new ATOM 298 N VAL A 20 13.797 -14.296 -5.235 1.00 23.12 N ATOM 299 CA VAL A 20 13.160 -13.898 -3.992 1.00 24.13 C ATOM 300 C VAL A 20 12.738 -15.148 -3.217 1.00 41.42 C ATOM 301 O VAL A 20 12.921 -15.220 -2.003 1.00 25.44 O ATOM 302 CB VAL A 20 11.992 -12.952 -4.282 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.466 -11.715 -5.048 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.878 -13.674 -5.042 1.00 12.44 C ATOM 0 H VAL A 20 13.202 -14.833 -5.866 1.00 23.12 H new ATOM 0 HA VAL A 20 13.860 -13.347 -3.364 1.00 24.13 H new ATOM 0 HB VAL A 20 11.585 -12.619 -3.327 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.617 -11.059 -5.241 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.208 -11.182 -4.454 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.911 -12.022 -5.995 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.060 -12.980 -5.235 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.267 -14.049 -5.989 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.512 -14.509 -4.444 1.00 12.44 H new ATOM 314 N GLU A 21 12.180 -16.100 -3.951 1.00 11.10 N ATOM 315 CA GLU A 21 11.732 -17.343 -3.347 1.00 25.04 C ATOM 316 C GLU A 21 12.844 -17.950 -2.491 1.00 12.30 C ATOM 317 O GLU A 21 14.025 -17.786 -2.794 1.00 52.20 O ATOM 318 CB GLU A 21 11.261 -18.332 -4.415 1.00 44.12 C ATOM 319 CG GLU A 21 12.247 -18.390 -5.583 1.00 55.24 C ATOM 320 CD GLU A 21 12.105 -19.701 -6.358 1.00 31.53 C ATOM 321 OE1 GLU A 21 12.783 -19.897 -7.377 1.00 42.20 O ATOM 322 OE2 GLU A 21 11.254 -20.536 -5.864 1.00 50.23 O1- ATOM 0 H GLU A 21 12.028 -16.035 -4.958 1.00 11.10 H new ATOM 0 HA GLU A 21 10.882 -17.124 -2.700 1.00 25.04 H new ATOM 0 HB2 GLU A 21 11.154 -19.324 -3.975 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.277 -18.037 -4.780 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.073 -17.547 -6.252 1.00 55.24 H new ATOM 0 HG3 GLU A 21 13.266 -18.294 -5.208 1.00 55.24 H new ATOM 365 N LYS A 25 17.285 -21.295 -6.557 1.00 43.10 N ATOM 366 CA LYS A 25 18.729 -21.282 -6.722 1.00 25.50 C ATOM 367 C LYS A 25 19.215 -19.834 -6.807 1.00 31.53 C ATOM 368 O LYS A 25 18.409 -18.904 -6.804 1.00 63.34 O ATOM 369 CB LYS A 25 19.139 -22.140 -7.920 1.00 45.42 C ATOM 370 CG LYS A 25 19.107 -21.326 -9.215 1.00 33.12 C ATOM 371 CD LYS A 25 19.447 -22.202 -10.422 1.00 51.15 C ATOM 372 CE LYS A 25 18.398 -23.298 -10.617 1.00 20.45 C ATOM 373 NZ LYS A 25 18.614 -24.000 -11.902 1.00 61.34 N1+ ATOM 0 HA LYS A 25 19.216 -21.732 -5.856 1.00 25.50 H new ATOM 0 HB2 LYS A 25 20.141 -22.537 -7.761 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.468 -22.994 -8.007 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.119 -20.886 -9.348 1.00 33.12 H new ATOM 0 HG3 LYS A 25 19.817 -20.502 -9.148 1.00 33.12 H new ATOM 0 HD2 LYS A 25 19.505 -21.585 -11.319 1.00 51.15 H new ATOM 0 HD3 LYS A 25 20.429 -22.654 -10.283 1.00 51.15 H new ATOM 0 HE2 LYS A 25 18.450 -24.010 -9.794 1.00 20.45 H new ATOM 0 HE3 LYS A 25 17.399 -22.861 -10.598 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 17.893 -24.741 -12.018 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 18.541 -23.320 -12.686 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 19.559 -24.433 -11.906 1.00 61.34 H new ATOM 386 N HIS A 26 20.529 -19.688 -6.883 1.00 35.31 N ATOM 387 CA HIS A 26 21.133 -18.369 -6.969 1.00 31.21 C ATOM 388 C HIS A 26 21.382 -18.013 -8.437 1.00 31.35 C ATOM 389 O HIS A 26 22.483 -18.209 -8.949 1.00 63.11 O ATOM 390 CB HIS A 26 22.401 -18.295 -6.119 1.00 60.42 C ATOM 391 CG HIS A 26 22.141 -18.163 -4.637 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.135 -16.944 -3.982 1.00 53.11 N ATOM 393 CD2 HIS A 26 21.875 -19.110 -3.691 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.878 -17.159 -2.700 1.00 4.22 C ATOM 395 NE2 HIS A 26 21.718 -18.502 -2.521 1.00 45.54 N ATOM 0 H HIS A 26 21.193 -20.462 -6.887 1.00 35.31 H new ATOM 0 HA HIS A 26 20.448 -17.625 -6.561 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.996 -19.191 -6.294 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.999 -17.445 -6.450 1.00 60.42 H new ATOM 0 HD2 HIS A 26 21.804 -20.174 -3.865 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.808 -16.403 -1.931 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.512 -18.963 -1.635 1.00 45.54 H new ATOM 403 N LYS A 27 20.339 -17.498 -9.072 1.00 43.43 N ATOM 404 CA LYS A 27 20.430 -17.114 -10.471 1.00 42.03 C ATOM 405 C LYS A 27 21.617 -16.167 -10.658 1.00 2.45 C ATOM 406 O LYS A 27 22.370 -15.916 -9.719 1.00 22.32 O ATOM 407 CB LYS A 27 19.099 -16.536 -10.955 1.00 4.12 C ATOM 408 CG LYS A 27 18.004 -17.604 -10.953 1.00 44.14 C ATOM 409 CD LYS A 27 18.320 -18.717 -11.954 1.00 74.23 C ATOM 410 CE LYS A 27 18.638 -18.138 -13.335 1.00 2.05 C ATOM 411 NZ LYS A 27 18.396 -19.148 -14.388 1.00 22.44 N1+ ATOM 0 H LYS A 27 19.427 -17.338 -8.644 1.00 43.43 H new ATOM 0 HA LYS A 27 20.617 -17.988 -11.096 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.804 -15.706 -10.313 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.218 -16.134 -11.961 1.00 4.12 H new ATOM 0 HG2 LYS A 27 17.906 -18.027 -9.953 1.00 44.14 H new ATOM 0 HG3 LYS A 27 17.046 -17.148 -11.202 1.00 44.14 H new ATOM 0 HD2 LYS A 27 19.167 -19.302 -11.597 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.471 -19.397 -12.027 1.00 74.23 H new ATOM 0 HE2 LYS A 27 18.021 -17.258 -13.518 1.00 2.05 H new ATOM 0 HE3 LYS A 27 19.677 -17.811 -13.368 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 18.617 -18.739 -15.318 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 19.003 -19.976 -14.221 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.398 -19.440 -14.366 1.00 22.44 H new ATOM 424 N THR A 28 21.746 -15.667 -11.878 1.00 45.00 N ATOM 425 CA THR A 28 22.829 -14.752 -12.201 1.00 61.12 C ATOM 426 C THR A 28 23.079 -13.790 -11.039 1.00 45.43 C ATOM 427 O THR A 28 24.210 -13.360 -10.816 1.00 2.21 O ATOM 428 CB THR A 28 22.475 -14.044 -13.510 1.00 35.30 C ATOM 429 OG1 THR A 28 22.001 -15.091 -14.354 1.00 61.25 O ATOM 430 CG2 THR A 28 23.710 -13.509 -14.239 1.00 51.31 C ATOM 0 H THR A 28 21.119 -15.878 -12.655 1.00 45.00 H new ATOM 0 HA THR A 28 23.768 -15.286 -12.347 1.00 61.12 H new ATOM 0 HB THR A 28 21.790 -13.222 -13.304 1.00 35.30 H new ATOM 0 HG1 THR A 28 21.747 -14.720 -15.225 1.00 61.25 H new ATOM 0 HG21 THR A 28 23.403 -13.016 -15.161 1.00 51.31 H new ATOM 0 HG22 THR A 28 24.228 -12.794 -13.600 1.00 51.31 H new ATOM 0 HG23 THR A 28 24.380 -14.336 -14.475 1.00 51.31 H new ATOM 438 N GLY A 29 22.005 -13.482 -10.327 1.00 10.45 N ATOM 439 CA GLY A 29 22.094 -12.578 -9.192 1.00 52.43 C ATOM 440 C GLY A 29 21.739 -13.297 -7.889 1.00 73.33 C ATOM 441 O GLY A 29 21.141 -14.372 -7.913 1.00 12.41 O ATOM 0 H GLY A 29 21.069 -13.842 -10.514 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.103 -12.172 -9.124 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.420 -11.734 -9.341 1.00 52.43 H new ATOM 445 N PRO A 30 22.132 -12.659 -6.754 1.00 64.11 N ATOM 446 CA PRO A 30 21.861 -13.227 -5.444 1.00 53.23 C ATOM 447 C PRO A 30 20.387 -13.060 -5.069 1.00 41.02 C ATOM 448 O PRO A 30 19.732 -12.117 -5.511 1.00 1.24 O ATOM 449 CB PRO A 30 22.801 -12.498 -4.498 1.00 21.01 C ATOM 450 CG PRO A 30 23.229 -11.235 -5.226 1.00 61.15 C ATOM 451 CD PRO A 30 22.842 -11.385 -6.689 1.00 30.43 C ATOM 0 HA PRO A 30 22.035 -14.302 -5.407 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.301 -12.257 -3.560 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.663 -13.117 -4.250 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.744 -10.361 -4.791 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.304 -11.085 -5.129 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.209 -10.561 -7.018 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.721 -11.388 -7.333 1.00 30.43 H new ATOM 459 N ASN A 31 19.908 -13.990 -4.256 1.00 42.21 N ATOM 460 CA ASN A 31 18.523 -13.958 -3.816 1.00 54.23 C ATOM 461 C ASN A 31 18.384 -12.969 -2.656 1.00 24.12 C ATOM 462 O ASN A 31 19.336 -12.744 -1.910 1.00 22.02 O ATOM 463 CB ASN A 31 18.071 -15.333 -3.322 1.00 1.42 C ATOM 464 CG ASN A 31 16.547 -15.395 -3.194 1.00 33.11 C ATOM 465 OD1 ASN A 31 15.915 -14.556 -2.574 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.995 -16.435 -3.814 1.00 24.23 N ATOM 0 H ASN A 31 20.454 -14.770 -3.890 1.00 42.21 H new ATOM 0 HA ASN A 31 17.906 -13.659 -4.663 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.413 -16.103 -4.014 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.530 -15.546 -2.356 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.984 -16.567 -3.788 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.583 -17.101 -4.316 1.00 24.23 H new ATOM 473 N LEU A 32 17.190 -12.405 -2.541 1.00 74.54 N ATOM 474 CA LEU A 32 16.915 -11.446 -1.485 1.00 5.51 C ATOM 475 C LEU A 32 15.837 -12.012 -0.558 1.00 71.53 C ATOM 476 O LEU A 32 14.645 -11.858 -0.821 1.00 22.25 O ATOM 477 CB LEU A 32 16.561 -10.081 -2.080 1.00 14.14 C ATOM 478 CG LEU A 32 17.412 -9.626 -3.267 1.00 30.32 C ATOM 479 CD1 LEU A 32 18.898 -9.884 -3.007 1.00 72.11 C ATOM 480 CD2 LEU A 32 16.936 -10.279 -4.566 1.00 23.23 C ATOM 0 H LEU A 32 16.403 -12.594 -3.162 1.00 74.54 H new ATOM 0 HA LEU A 32 17.805 -11.281 -0.877 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.517 -10.103 -2.394 1.00 14.14 H new ATOM 0 HB3 LEU A 32 16.641 -9.332 -1.292 1.00 14.14 H new ATOM 0 HG LEU A 32 17.287 -8.549 -3.384 1.00 30.32 H new ATOM 0 HD11 LEU A 32 19.481 -9.552 -3.866 1.00 72.11 H new ATOM 0 HD12 LEU A 32 19.213 -9.334 -2.120 1.00 72.11 H new ATOM 0 HD13 LEU A 32 19.060 -10.950 -2.849 1.00 72.11 H new ATOM 0 HD21 LEU A 32 17.558 -9.938 -5.394 1.00 23.23 H new ATOM 0 HD22 LEU A 32 17.012 -11.363 -4.477 1.00 23.23 H new ATOM 0 HD23 LEU A 32 15.899 -10.002 -4.754 1.00 23.23 H new ATOM 492 N HIS A 33 16.295 -12.652 0.507 1.00 14.50 N ATOM 493 CA HIS A 33 15.384 -13.241 1.475 1.00 13.44 C ATOM 494 C HIS A 33 15.407 -12.420 2.766 1.00 62.54 C ATOM 495 O HIS A 33 14.362 -11.989 3.251 1.00 23.12 O ATOM 496 CB HIS A 33 15.715 -14.716 1.704 1.00 5.43 C ATOM 497 CG HIS A 33 14.820 -15.396 2.712 1.00 22.13 C ATOM 498 ND1 HIS A 33 15.215 -16.509 3.436 1.00 13.25 N ATOM 499 CD2 HIS A 33 13.548 -15.111 3.111 1.00 23.11 C ATOM 500 CE1 HIS A 33 14.217 -16.868 4.230 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.184 -16.001 4.026 1.00 50.42 N ATOM 0 H HIS A 33 17.284 -12.776 0.722 1.00 14.50 H new ATOM 0 HA HIS A 33 14.366 -13.214 1.086 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.643 -15.246 0.754 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.749 -14.798 2.038 1.00 5.43 H new ATOM 0 HD2 HIS A 33 12.939 -14.298 2.744 1.00 23.11 H new ATOM 0 HE1 HIS A 33 14.221 -17.701 4.918 1.00 64.43 H new ATOM 0 HE2 HIS A 33 12.281 -16.032 4.499 1.00 50.42 H new ATOM 509 N GLY A 34 16.610 -12.228 3.286 1.00 75.21 N ATOM 510 CA GLY A 34 16.783 -11.467 4.512 1.00 51.24 C ATOM 511 C GLY A 34 17.281 -10.052 4.212 1.00 41.32 C ATOM 512 O GLY A 34 17.912 -9.419 5.058 1.00 23.54 O ATOM 0 H GLY A 34 17.475 -12.586 2.881 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.836 -11.417 5.050 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.493 -11.976 5.163 1.00 51.24 H new ATOM 516 N LEU A 35 16.978 -9.596 3.006 1.00 32.14 N ATOM 517 CA LEU A 35 17.387 -8.266 2.584 1.00 14.33 C ATOM 518 C LEU A 35 17.205 -7.288 3.748 1.00 14.32 C ATOM 519 O LEU A 35 18.164 -6.653 4.184 1.00 23.33 O ATOM 520 CB LEU A 35 16.641 -7.854 1.313 1.00 1.34 C ATOM 521 CG LEU A 35 17.189 -6.627 0.581 1.00 70.13 C ATOM 522 CD1 LEU A 35 18.411 -6.993 -0.264 1.00 23.22 C ATOM 523 CD2 LEU A 35 16.097 -5.952 -0.251 1.00 20.03 C ATOM 0 H LEU A 35 16.454 -10.123 2.307 1.00 32.14 H new ATOM 0 HA LEU A 35 18.445 -8.258 2.322 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.647 -8.697 0.622 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.600 -7.663 1.573 1.00 1.34 H new ATOM 0 HG LEU A 35 17.519 -5.903 1.326 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.781 -6.103 -0.774 1.00 23.22 H new ATOM 0 HD12 LEU A 35 19.193 -7.393 0.381 1.00 23.22 H new ATOM 0 HD13 LEU A 35 18.131 -7.744 -1.003 1.00 23.22 H new ATOM 0 HD21 LEU A 35 16.513 -5.083 -0.761 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.714 -6.657 -0.989 1.00 20.03 H new ATOM 0 HD23 LEU A 35 15.285 -5.635 0.403 1.00 20.03 H new ATOM 535 N PHE A 36 15.969 -7.198 4.216 1.00 5.35 N ATOM 536 CA PHE A 36 15.651 -6.310 5.321 1.00 22.24 C ATOM 537 C PHE A 36 16.047 -6.933 6.659 1.00 61.41 C ATOM 538 O PHE A 36 15.208 -7.497 7.359 1.00 2.04 O ATOM 539 CB PHE A 36 14.135 -6.097 5.300 1.00 52.13 C ATOM 540 CG PHE A 36 13.652 -5.175 4.178 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.558 -5.645 2.905 1.00 33.42 C ATOM 542 CD2 PHE A 36 13.317 -3.887 4.453 1.00 23.43 C ATOM 543 CE1 PHE A 36 13.109 -4.790 1.864 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.867 -3.032 3.412 1.00 12.33 C ATOM 545 CZ PHE A 36 12.773 -3.501 2.140 1.00 2.54 C ATOM 0 H PHE A 36 15.176 -7.725 3.850 1.00 5.35 H new ATOM 0 HA PHE A 36 16.197 -5.373 5.213 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.644 -7.065 5.198 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.823 -5.681 6.258 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.825 -6.668 2.686 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.393 -3.513 5.463 1.00 23.43 H new ATOM 0 HE1 PHE A 36 13.034 -5.163 0.853 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.599 -2.009 3.631 1.00 12.33 H new ATOM 0 HZ PHE A 36 12.432 -2.850 1.348 1.00 2.54 H new ATOM 555 N GLY A 37 17.328 -6.813 6.976 1.00 15.13 N ATOM 556 CA GLY A 37 17.847 -7.358 8.219 1.00 44.23 C ATOM 557 C GLY A 37 19.187 -8.061 7.993 1.00 13.23 C ATOM 558 O GLY A 37 19.875 -8.417 8.947 1.00 33.14 O ATOM 0 H GLY A 37 18.022 -6.346 6.393 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.971 -6.557 8.948 1.00 44.23 H new ATOM 0 HA3 GLY A 37 17.129 -8.062 8.639 1.00 44.23 H new ATOM 562 N ARG A 38 19.517 -8.240 6.722 1.00 71.12 N ATOM 563 CA ARG A 38 20.762 -8.894 6.358 1.00 72.15 C ATOM 564 C ARG A 38 21.746 -7.878 5.776 1.00 53.24 C ATOM 565 O ARG A 38 21.409 -7.143 4.848 1.00 74.14 O ATOM 566 CB ARG A 38 20.521 -10.005 5.333 1.00 13.11 C ATOM 567 CG ARG A 38 21.793 -10.825 5.103 1.00 61.12 C ATOM 568 CD ARG A 38 21.524 -12.003 4.166 1.00 23.15 C ATOM 569 NE ARG A 38 20.198 -12.591 4.460 1.00 44.20 N ATOM 570 CZ ARG A 38 19.982 -13.543 5.393 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.005 -14.023 6.132 1.00 2.45 N ATOM 572 NH2 ARG A 38 18.755 -13.997 5.571 1.00 43.34 N1+ ATOM 0 H ARG A 38 18.944 -7.944 5.932 1.00 71.12 H new ATOM 0 HA ARG A 38 21.182 -9.334 7.263 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.721 -10.658 5.681 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.190 -9.569 4.390 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.569 -10.188 4.678 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.170 -11.193 6.057 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.561 -11.669 3.129 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.301 -12.758 4.286 1.00 23.15 H new ATOM 0 HE ARG A 38 19.397 -12.256 3.924 1.00 44.20 H new ATOM 0 HH11 ARG A 38 21.950 -13.666 5.988 1.00 2.45 H new ATOM 0 HH12 ARG A 38 20.833 -14.742 6.835 1.00 2.45 H new ATOM 0 HH21 ARG A 38 17.988 -13.629 5.008 1.00 43.34 H new ATOM 0 HH22 ARG A 38 18.574 -14.716 6.271 1.00 43.34 H new ATOM 585 N LYS A 39 22.943 -7.867 6.344 1.00 1.25 N ATOM 586 CA LYS A 39 23.978 -6.953 5.893 1.00 23.04 C ATOM 587 C LYS A 39 24.198 -7.140 4.390 1.00 30.04 C ATOM 588 O LYS A 39 23.438 -7.847 3.731 1.00 3.20 O ATOM 589 CB LYS A 39 25.248 -7.127 6.727 1.00 65.41 C ATOM 590 CG LYS A 39 25.779 -5.775 7.207 1.00 52.45 C ATOM 591 CD LYS A 39 25.184 -5.404 8.567 1.00 54.13 C ATOM 592 CE LYS A 39 25.786 -6.264 9.682 1.00 12.24 C ATOM 593 NZ LYS A 39 27.240 -6.017 9.799 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.219 -8.477 7.113 1.00 1.25 H new ATOM 0 HA LYS A 39 23.665 -5.920 6.044 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.039 -7.765 7.586 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.011 -7.631 6.134 1.00 65.41 H new ATOM 0 HG2 LYS A 39 26.866 -5.812 7.279 1.00 52.45 H new ATOM 0 HG3 LYS A 39 25.534 -5.004 6.476 1.00 52.45 H new ATOM 0 HD2 LYS A 39 25.371 -4.350 8.774 1.00 54.13 H new ATOM 0 HD3 LYS A 39 24.102 -5.537 8.543 1.00 54.13 H new ATOM 0 HE2 LYS A 39 25.295 -6.038 10.629 1.00 12.24 H new ATOM 0 HE3 LYS A 39 25.606 -7.319 9.473 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 27.560 -6.276 10.754 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 27.747 -6.591 9.096 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 27.436 -5.010 9.630 1.00 2.13 H new ATOM 606 N THR A 40 25.243 -6.494 3.893 1.00 35.13 N ATOM 607 CA THR A 40 25.572 -6.579 2.480 1.00 75.44 C ATOM 608 C THR A 40 26.778 -7.498 2.269 1.00 43.11 C ATOM 609 O THR A 40 27.895 -7.161 2.660 1.00 72.31 O ATOM 610 CB THR A 40 25.793 -5.159 1.959 1.00 74.21 C ATOM 611 OG1 THR A 40 26.476 -4.501 3.021 1.00 42.25 O ATOM 612 CG2 THR A 40 24.484 -4.377 1.816 1.00 52.34 C ATOM 0 H THR A 40 25.873 -5.910 4.443 1.00 35.13 H new ATOM 0 HA THR A 40 24.757 -7.026 1.910 1.00 75.44 H new ATOM 0 HB THR A 40 26.298 -5.202 0.994 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.243 -5.043 3.302 1.00 42.25 H new ATOM 0 HG21 THR A 40 24.697 -3.375 1.443 1.00 52.34 H new ATOM 0 HG22 THR A 40 23.827 -4.893 1.116 1.00 52.34 H new ATOM 0 HG23 THR A 40 23.995 -4.306 2.787 1.00 52.34 H new ATOM 620 N GLY A 41 26.511 -8.640 1.653 1.00 61.55 N ATOM 621 CA GLY A 41 27.559 -9.609 1.385 1.00 62.50 C ATOM 622 C GLY A 41 27.565 -10.717 2.441 1.00 21.13 C ATOM 623 O GLY A 41 28.622 -11.099 2.940 1.00 23.11 O ATOM 0 H GLY A 41 25.583 -8.916 1.332 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.412 -10.045 0.397 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.527 -9.109 1.372 1.00 62.50 H new ATOM 627 N GLN A 42 26.370 -11.202 2.749 1.00 20.11 N ATOM 628 CA GLN A 42 26.224 -12.258 3.736 1.00 50.44 C ATOM 629 C GLN A 42 25.733 -13.544 3.068 1.00 23.41 C ATOM 630 O GLN A 42 25.847 -14.627 3.640 1.00 22.22 O ATOM 631 CB GLN A 42 25.280 -11.829 4.862 1.00 22.15 C ATOM 632 CG GLN A 42 25.342 -10.317 5.084 1.00 43.33 C ATOM 633 CD GLN A 42 26.786 -9.814 5.033 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.078 -8.736 4.544 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.671 -10.654 5.564 1.00 55.35 N ATOM 0 H GLN A 42 25.495 -10.883 2.332 1.00 20.11 H new ATOM 0 HA GLN A 42 27.200 -12.452 4.180 1.00 50.44 H new ATOM 0 HB2 GLN A 42 24.259 -12.122 4.617 1.00 22.15 H new ATOM 0 HB3 GLN A 42 25.548 -12.347 5.783 1.00 22.15 H new ATOM 0 HG2 GLN A 42 24.749 -9.810 4.323 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.901 -10.069 6.049 1.00 43.33 H new ATOM 0 HE21 GLN A 42 27.359 -11.542 5.957 1.00 55.35 H new ATOM 0 HE22 GLN A 42 28.661 -10.410 5.578 1.00 55.35 H new ATOM 644 N ALA A 43 25.197 -13.382 1.867 1.00 70.23 N ATOM 645 CA ALA A 43 24.688 -14.517 1.116 1.00 30.12 C ATOM 646 C ALA A 43 25.629 -15.710 1.302 1.00 64.14 C ATOM 647 O ALA A 43 26.670 -15.791 0.654 1.00 13.20 O ATOM 648 CB ALA A 43 24.528 -14.125 -0.354 1.00 22.12 C ATOM 0 H ALA A 43 25.104 -12.482 1.396 1.00 70.23 H new ATOM 0 HA ALA A 43 23.705 -14.812 1.484 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.146 -14.976 -0.918 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.828 -13.293 -0.435 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.495 -13.826 -0.758 1.00 22.12 H new ATOM 654 N PRO A 44 25.217 -16.629 2.216 1.00 21.12 N ATOM 655 CA PRO A 44 26.010 -17.814 2.496 1.00 3.52 C ATOM 656 C PRO A 44 25.889 -18.834 1.362 1.00 70.11 C ATOM 657 O PRO A 44 26.495 -19.904 1.420 1.00 13.44 O ATOM 658 CB PRO A 44 25.484 -18.334 3.823 1.00 43.33 C ATOM 659 CG PRO A 44 24.115 -17.699 4.007 1.00 50.30 C ATOM 660 CD PRO A 44 23.989 -16.565 3.003 1.00 14.51 C ATOM 0 HA PRO A 44 27.077 -17.601 2.562 1.00 3.52 H new ATOM 0 HB2 PRO A 44 25.412 -19.422 3.815 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.153 -18.065 4.641 1.00 43.33 H new ATOM 0 HG2 PRO A 44 23.328 -18.437 3.851 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.002 -17.323 5.024 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.108 -16.690 2.373 1.00 14.51 H new ATOM 0 HD3 PRO A 44 23.889 -15.602 3.504 1.00 14.51 H new ATOM 668 N GLY A 45 25.105 -18.468 0.360 1.00 63.41 N ATOM 669 CA GLY A 45 24.898 -19.338 -0.785 1.00 62.30 C ATOM 670 C GLY A 45 25.614 -18.796 -2.023 1.00 51.31 C ATOM 671 O GLY A 45 25.789 -19.514 -3.007 1.00 1.41 O ATOM 0 H GLY A 45 24.605 -17.580 0.317 1.00 63.41 H new ATOM 0 HA2 GLY A 45 25.266 -20.338 -0.557 1.00 62.30 H new ATOM 0 HA3 GLY A 45 23.831 -19.429 -0.989 1.00 62.30 H new ATOM 675 N TYR A 46 26.010 -17.535 -1.933 1.00 31.42 N ATOM 676 CA TYR A 46 26.704 -16.889 -3.034 1.00 33.33 C ATOM 677 C TYR A 46 27.366 -15.587 -2.576 1.00 21.45 C ATOM 678 O TYR A 46 26.703 -14.707 -2.031 1.00 53.01 O ATOM 679 CB TYR A 46 25.632 -16.562 -4.076 1.00 11.41 C ATOM 680 CG TYR A 46 26.175 -15.897 -5.341 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.338 -16.362 -5.920 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.503 -14.831 -5.903 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.850 -15.736 -7.111 1.00 41.12 C ATOM 684 CE2 TYR A 46 26.014 -14.205 -7.095 1.00 4.30 C ATOM 685 CZ TYR A 46 27.163 -14.688 -7.640 1.00 64.21 C ATOM 686 OH TYR A 46 27.645 -14.097 -8.766 1.00 73.20 O ATOM 0 H TYR A 46 25.864 -16.944 -1.115 1.00 31.42 H new ATOM 0 HA TYR A 46 27.486 -17.538 -3.428 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.118 -17.482 -4.354 1.00 11.41 H new ATOM 0 HB3 TYR A 46 24.889 -15.906 -3.624 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.864 -17.196 -5.480 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.594 -14.466 -5.449 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.759 -16.090 -7.574 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.497 -13.371 -7.546 1.00 4.30 H new ATOM 0 HH TYR A 46 27.051 -13.364 -9.030 1.00 73.20 H new ATOM 696 N SER A 47 28.668 -15.508 -2.814 1.00 61.13 N ATOM 697 CA SER A 47 29.427 -14.329 -2.433 1.00 50.02 C ATOM 698 C SER A 47 29.525 -13.364 -3.617 1.00 61.25 C ATOM 699 O SER A 47 29.677 -13.791 -4.760 1.00 74.42 O ATOM 700 CB SER A 47 30.825 -14.711 -1.942 1.00 64.01 C ATOM 701 OG SER A 47 30.784 -15.405 -0.699 1.00 62.20 O ATOM 0 H SER A 47 29.215 -16.241 -3.265 1.00 61.13 H new ATOM 0 HA SER A 47 28.905 -13.835 -1.613 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.313 -15.336 -2.690 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.430 -13.811 -1.834 1.00 64.01 H new ATOM 0 HG SER A 47 31.696 -15.632 -0.421 1.00 62.20 H new ATOM 707 N TYR A 48 29.433 -12.080 -3.300 1.00 23.43 N ATOM 708 CA TYR A 48 29.510 -11.051 -4.324 1.00 51.03 C ATOM 709 C TYR A 48 30.936 -10.514 -4.455 1.00 50.11 C ATOM 710 O TYR A 48 31.856 -11.021 -3.814 1.00 44.52 O ATOM 711 CB TYR A 48 28.593 -9.921 -3.853 1.00 20.35 C ATOM 712 CG TYR A 48 27.328 -10.401 -3.139 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.808 -11.648 -3.422 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.707 -9.588 -2.212 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.617 -12.100 -2.751 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.516 -10.040 -1.542 1.00 74.50 C ATOM 717 CZ TYR A 48 25.030 -11.274 -1.844 1.00 31.14 C ATOM 718 OH TYR A 48 23.905 -11.702 -1.209 1.00 23.04 O ATOM 0 H TYR A 48 29.306 -11.729 -2.351 1.00 23.43 H new ATOM 0 HA TYR A 48 29.217 -11.451 -5.295 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.152 -9.270 -3.181 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.305 -9.318 -4.714 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.294 -12.284 -4.146 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.115 -8.613 -1.990 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.199 -13.073 -2.963 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.019 -9.413 -0.816 1.00 74.50 H new ATOM 0 HH TYR A 48 23.596 -11.009 -0.588 1.00 23.04 H new ATOM 728 N THR A 49 31.076 -9.495 -5.291 1.00 5.20 N ATOM 729 CA THR A 49 32.374 -8.883 -5.515 1.00 43.03 C ATOM 730 C THR A 49 33.014 -8.485 -4.184 1.00 11.41 C ATOM 731 O THR A 49 32.424 -8.686 -3.123 1.00 40.24 O ATOM 732 CB THR A 49 32.184 -7.707 -6.473 1.00 0.23 C ATOM 733 OG1 THR A 49 30.959 -7.111 -6.053 1.00 65.43 O ATOM 734 CG2 THR A 49 31.905 -8.159 -7.908 1.00 63.33 C ATOM 0 H THR A 49 30.311 -9.078 -5.821 1.00 5.20 H new ATOM 0 HA THR A 49 33.068 -9.587 -5.975 1.00 43.03 H new ATOM 0 HB THR A 49 33.075 -7.079 -6.457 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.760 -6.338 -6.621 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.778 -7.285 -8.547 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.742 -8.755 -8.271 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.996 -8.759 -7.930 1.00 63.33 H new ATOM 742 N ALA A 50 34.211 -7.928 -4.281 1.00 63.11 N ATOM 743 CA ALA A 50 34.938 -7.500 -3.098 1.00 4.40 C ATOM 744 C ALA A 50 34.550 -6.059 -2.760 1.00 24.52 C ATOM 745 O ALA A 50 35.127 -5.450 -1.860 1.00 65.45 O ATOM 746 CB ALA A 50 36.440 -7.659 -3.335 1.00 22.44 C ATOM 0 H ALA A 50 34.697 -7.763 -5.162 1.00 63.11 H new ATOM 0 HA ALA A 50 34.677 -8.122 -2.242 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.984 -7.338 -2.447 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.667 -8.705 -3.541 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.741 -7.048 -4.186 1.00 22.44 H new ATOM 752 N ALA A 51 33.573 -5.553 -3.500 1.00 22.13 N ATOM 753 CA ALA A 51 33.101 -4.196 -3.291 1.00 24.51 C ATOM 754 C ALA A 51 31.861 -4.224 -2.396 1.00 32.14 C ATOM 755 O ALA A 51 31.785 -3.490 -1.411 1.00 53.32 O ATOM 756 CB ALA A 51 32.829 -3.535 -4.645 1.00 73.13 C ATOM 0 H ALA A 51 33.096 -6.060 -4.245 1.00 22.13 H new ATOM 0 HA ALA A 51 33.860 -3.600 -2.784 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.475 -2.516 -4.488 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.748 -3.513 -5.230 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.070 -4.104 -5.182 1.00 73.13 H new ATOM 762 N ASN A 52 30.919 -5.077 -2.770 1.00 72.12 N ATOM 763 CA ASN A 52 29.686 -5.210 -2.014 1.00 72.03 C ATOM 764 C ASN A 52 29.987 -5.872 -0.667 1.00 44.33 C ATOM 765 O ASN A 52 29.544 -5.395 0.376 1.00 21.23 O ATOM 766 CB ASN A 52 28.676 -6.089 -2.756 1.00 71.24 C ATOM 767 CG ASN A 52 27.257 -5.850 -2.238 1.00 1.21 C ATOM 768 OD1 ASN A 52 27.035 -6.346 -1.024 1.00 10.34 O flip ATOM 769 ND2 ASN A 52 26.420 -5.256 -2.896 1.00 51.41 N flip ATOM 0 H ASN A 52 30.985 -5.683 -3.588 1.00 72.12 H new ATOM 0 HA ASN A 52 29.266 -4.213 -1.878 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.718 -5.875 -3.824 1.00 71.24 H new ATOM 0 HB3 ASN A 52 28.941 -7.139 -2.630 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.657 -4.901 -3.822 1.00 51.41 H new ATOM 0 HD22 ASN A 52 25.482 -5.114 -2.520 1.00 51.41 H new ATOM 776 N LYS A 53 30.740 -6.961 -0.734 1.00 31.33 N ATOM 777 CA LYS A 53 31.107 -7.692 0.467 1.00 23.25 C ATOM 778 C LYS A 53 31.713 -6.723 1.483 1.00 40.10 C ATOM 779 O LYS A 53 31.584 -6.923 2.690 1.00 44.44 O ATOM 780 CB LYS A 53 32.018 -8.870 0.120 1.00 41.40 C ATOM 781 CG LYS A 53 31.816 -10.028 1.098 1.00 75.03 C ATOM 782 CD LYS A 53 33.099 -10.847 1.252 1.00 74.12 C ATOM 783 CE LYS A 53 32.798 -12.238 1.815 1.00 55.52 C ATOM 784 NZ LYS A 53 33.987 -13.112 1.700 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.106 -7.354 -1.601 1.00 31.33 H new ATOM 0 HA LYS A 53 30.224 -8.130 0.932 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.811 -9.207 -0.896 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.059 -8.548 0.143 1.00 41.40 H new ATOM 0 HG2 LYS A 53 31.510 -9.639 2.069 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.010 -10.671 0.744 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.593 -10.941 0.285 1.00 74.12 H new ATOM 0 HD3 LYS A 53 33.791 -10.325 1.913 1.00 74.12 H new ATOM 0 HE2 LYS A 53 32.499 -12.157 2.860 1.00 55.52 H new ATOM 0 HE3 LYS A 53 31.960 -12.681 1.277 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 33.766 -14.052 2.086 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 34.255 -13.203 0.699 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 34.777 -12.696 2.233 1.00 13.54 H new ATOM 797 N ASN A 54 32.363 -5.695 0.959 1.00 32.11 N ATOM 798 CA ASN A 54 32.991 -4.695 1.806 1.00 62.53 C ATOM 799 C ASN A 54 31.907 -3.844 2.470 1.00 21.52 C ATOM 800 O ASN A 54 32.086 -3.369 3.591 1.00 54.24 O ATOM 801 CB ASN A 54 33.888 -3.764 0.987 1.00 4.13 C ATOM 802 CG ASN A 54 35.316 -4.309 0.908 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.385 -5.635 0.835 1.00 64.31 O flip ATOM 804 ND2 ASN A 54 36.289 -3.574 0.912 1.00 31.23 N flip ATOM 0 H ASN A 54 32.469 -5.533 -0.042 1.00 32.11 H new ATOM 0 HA ASN A 54 33.595 -5.214 2.551 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.481 -3.652 -0.018 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.898 -2.772 1.439 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.164 -2.563 0.970 1.00 31.23 H new ATOM 0 HD22 ASN A 54 37.227 -3.970 0.857 1.00 31.23 H new ATOM 811 N LYS A 55 30.808 -3.676 1.751 1.00 3.10 N ATOM 812 CA LYS A 55 29.695 -2.889 2.257 1.00 52.01 C ATOM 813 C LYS A 55 29.250 -3.454 3.607 1.00 71.13 C ATOM 814 O LYS A 55 29.187 -4.669 3.786 1.00 34.34 O ATOM 815 CB LYS A 55 28.573 -2.819 1.219 1.00 61.43 C ATOM 816 CG LYS A 55 27.763 -1.530 1.374 1.00 35.11 C ATOM 817 CD LYS A 55 28.430 -0.372 0.630 1.00 31.33 C ATOM 818 CE LYS A 55 27.869 0.974 1.093 1.00 31.13 C ATOM 819 NZ LYS A 55 28.616 1.469 2.270 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.663 -4.071 0.822 1.00 3.10 H new ATOM 0 HA LYS A 55 30.004 -1.858 2.428 1.00 52.01 H new ATOM 0 HB2 LYS A 55 28.997 -2.868 0.216 1.00 61.43 H new ATOM 0 HB3 LYS A 55 27.916 -3.681 1.330 1.00 61.43 H new ATOM 0 HG2 LYS A 55 26.754 -1.681 0.989 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.667 -1.281 2.431 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.506 -0.399 0.799 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.273 -0.486 -0.443 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.933 1.700 0.282 1.00 31.13 H new ATOM 0 HE3 LYS A 55 26.813 0.868 1.343 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.223 2.383 2.571 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 28.533 0.783 3.047 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 29.618 1.589 2.020 1.00 40.52 H new ATOM 832 N GLY A 56 28.954 -2.543 4.524 1.00 14.34 N ATOM 833 CA GLY A 56 28.517 -2.935 5.854 1.00 1.53 C ATOM 834 C GLY A 56 27.313 -2.104 6.302 1.00 71.44 C ATOM 835 O GLY A 56 27.438 -1.244 7.173 1.00 74.10 O ATOM 0 H GLY A 56 29.008 -1.536 4.372 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.255 -3.993 5.858 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.336 -2.807 6.562 1.00 1.53 H new ATOM 839 N ILE A 57 26.175 -2.390 5.687 1.00 74.01 N ATOM 840 CA ILE A 57 24.950 -1.680 6.012 1.00 43.32 C ATOM 841 C ILE A 57 23.751 -2.596 5.756 1.00 62.24 C ATOM 842 O ILE A 57 23.749 -3.367 4.799 1.00 3.42 O ATOM 843 CB ILE A 57 24.882 -0.353 5.253 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.768 -0.588 3.745 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.074 0.541 5.605 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.304 -0.698 3.317 1.00 32.33 C ATOM 0 H ILE A 57 26.076 -3.104 4.965 1.00 74.01 H new ATOM 0 HA ILE A 57 24.932 -1.418 7.070 1.00 43.32 H new ATOM 0 HB ILE A 57 23.980 0.173 5.566 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.247 0.231 3.208 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.299 -1.500 3.474 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.002 1.478 5.052 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.069 0.750 6.675 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.001 0.033 5.339 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.251 -0.865 2.241 1.00 32.33 H new ATOM 0 HD12 ILE A 57 22.835 -1.533 3.837 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.781 0.225 3.567 1.00 32.33 H new ATOM 858 N ILE A 58 22.762 -2.479 6.629 1.00 34.44 N ATOM 859 CA ILE A 58 21.560 -3.288 6.510 1.00 71.13 C ATOM 860 C ILE A 58 20.649 -2.683 5.440 1.00 61.15 C ATOM 861 O ILE A 58 20.316 -1.501 5.498 1.00 1.32 O ATOM 862 CB ILE A 58 20.885 -3.447 7.874 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.748 -4.286 8.818 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.475 -4.021 7.724 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.609 -5.778 8.509 1.00 42.52 C ATOM 0 H ILE A 58 22.768 -1.837 7.421 1.00 34.44 H new ATOM 0 HA ILE A 58 21.810 -4.298 6.184 1.00 71.13 H new ATOM 0 HB ILE A 58 20.784 -2.459 8.323 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.792 -3.987 8.724 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.454 -4.096 9.850 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.018 -4.124 8.708 1.00 13.54 H new ATOM 0 HG22 ILE A 58 18.872 -3.350 7.112 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.529 -4.999 7.245 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.233 -6.351 9.195 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.568 -6.079 8.628 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.927 -5.968 7.484 1.00 42.52 H new ATOM 877 N TRP A 59 20.271 -3.524 4.488 1.00 12.43 N ATOM 878 CA TRP A 59 19.405 -3.088 3.405 1.00 31.13 C ATOM 879 C TRP A 59 18.078 -2.633 4.016 1.00 62.44 C ATOM 880 O TRP A 59 17.647 -3.164 5.038 1.00 4.32 O ATOM 881 CB TRP A 59 19.235 -4.193 2.361 1.00 3.14 C ATOM 882 CG TRP A 59 20.409 -4.316 1.389 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.146 -5.403 1.118 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.958 -3.266 0.564 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.124 -5.131 0.183 1.00 43.14 N ATOM 886 CE2 TRP A 59 22.006 -3.790 -0.164 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.579 -1.917 0.437 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.762 -3.037 -1.070 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.346 -1.178 -0.471 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.404 -1.690 -1.212 1.00 62.15 C ATOM 0 H TRP A 59 20.548 -4.505 4.444 1.00 12.43 H new ATOM 0 HA TRP A 59 19.848 -2.248 2.870 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.100 -5.145 2.874 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.324 -4.005 1.793 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.993 -6.370 1.574 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.808 -5.792 -0.186 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.761 -1.486 0.996 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.577 -3.471 -1.629 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 21.098 -0.136 -0.605 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.948 -1.053 -1.894 1.00 62.15 H new ATOM 901 N GLY A 60 17.467 -1.655 3.363 1.00 60.12 N ATOM 902 CA GLY A 60 16.198 -1.123 3.829 1.00 61.54 C ATOM 903 C GLY A 60 15.432 -0.452 2.687 1.00 2.44 C ATOM 904 O GLY A 60 15.656 -0.764 1.519 1.00 64.10 O ATOM 0 H GLY A 60 17.827 -1.217 2.515 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.596 -1.927 4.252 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.373 -0.402 4.627 1.00 61.54 H new ATOM 908 N GLU A 61 14.546 0.457 3.065 1.00 1.02 N ATOM 909 CA GLU A 61 13.746 1.175 2.087 1.00 43.51 C ATOM 910 C GLU A 61 14.527 2.370 1.536 1.00 54.24 C ATOM 911 O GLU A 61 14.586 2.572 0.324 1.00 64.13 O ATOM 912 CB GLU A 61 12.413 1.623 2.691 1.00 4.31 C ATOM 913 CG GLU A 61 11.619 0.425 3.216 1.00 42.02 C ATOM 914 CD GLU A 61 12.007 0.099 4.659 1.00 40.13 C ATOM 915 OE1 GLU A 61 12.890 0.759 5.228 1.00 42.11 O ATOM 916 OE2 GLU A 61 11.357 -0.880 5.191 1.00 53.22 O1- ATOM 0 H GLU A 61 14.364 0.713 4.035 1.00 1.02 H new ATOM 0 HA GLU A 61 13.524 0.499 1.261 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.596 2.327 3.503 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.827 2.150 1.938 1.00 4.31 H new ATOM 0 HG2 GLU A 61 10.552 0.640 3.163 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.801 -0.443 2.582 1.00 42.02 H new ATOM 924 N ASP A 62 15.107 3.130 2.453 1.00 41.03 N ATOM 925 CA ASP A 62 15.883 4.300 2.075 1.00 11.04 C ATOM 926 C ASP A 62 17.117 3.854 1.287 1.00 64.11 C ATOM 927 O ASP A 62 17.306 4.261 0.141 1.00 4.51 O ATOM 928 CB ASP A 62 16.360 5.067 3.308 1.00 52.14 C ATOM 929 CG ASP A 62 16.634 6.555 3.079 1.00 62.42 C ATOM 930 OD1 ASP A 62 16.814 7.002 1.937 1.00 35.04 O ATOM 931 OD2 ASP A 62 16.661 7.276 4.148 1.00 62.51 O1- ATOM 0 H ASP A 62 15.055 2.959 3.457 1.00 41.03 H new ATOM 0 HA ASP A 62 15.246 4.948 1.473 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.609 4.968 4.092 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.272 4.598 3.679 1.00 52.14 H new ATOM 937 N THR A 63 17.925 3.026 1.932 1.00 73.22 N ATOM 938 CA THR A 63 19.135 2.522 1.307 1.00 3.24 C ATOM 939 C THR A 63 18.832 2.007 -0.101 1.00 11.02 C ATOM 940 O THR A 63 19.628 2.198 -1.020 1.00 1.20 O ATOM 941 CB THR A 63 19.734 1.457 2.228 1.00 40.22 C ATOM 942 OG1 THR A 63 18.602 0.745 2.719 1.00 4.21 O ATOM 943 CG2 THR A 63 20.370 2.059 3.483 1.00 44.33 C ATOM 0 H THR A 63 17.765 2.691 2.882 1.00 73.22 H new ATOM 0 HA THR A 63 19.873 3.313 1.178 1.00 3.24 H new ATOM 0 HB THR A 63 20.483 0.884 1.681 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.747 0.509 3.659 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.780 1.261 4.102 1.00 44.33 H new ATOM 0 HG22 THR A 63 21.170 2.741 3.194 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.614 2.605 4.048 1.00 44.33 H new ATOM 951 N LEU A 64 17.681 1.364 -0.227 1.00 10.45 N ATOM 952 CA LEU A 64 17.263 0.820 -1.509 1.00 43.40 C ATOM 953 C LEU A 64 16.770 1.958 -2.405 1.00 72.41 C ATOM 954 O LEU A 64 16.928 1.906 -3.624 1.00 42.34 O ATOM 955 CB LEU A 64 16.235 -0.295 -1.307 1.00 75.52 C ATOM 956 CG LEU A 64 16.791 -1.649 -0.862 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.668 -2.674 -0.694 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.875 -2.139 -1.823 1.00 20.25 C ATOM 0 H LEU A 64 17.024 1.207 0.537 1.00 10.45 H new ATOM 0 HA LEU A 64 18.106 0.356 -2.020 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.508 0.038 -0.566 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.694 -0.437 -2.243 1.00 75.52 H new ATOM 0 HG LEU A 64 17.260 -1.522 0.114 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.090 -3.628 -0.377 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.963 -2.321 0.059 1.00 31.02 H new ATOM 0 HD13 LEU A 64 15.149 -2.804 -1.644 1.00 31.02 H new ATOM 0 HD21 LEU A 64 18.253 -3.103 -1.484 1.00 20.25 H new ATOM 0 HD22 LEU A 64 17.454 -2.246 -2.823 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.692 -1.418 -1.849 1.00 20.25 H new ATOM 970 N MET A 65 16.185 2.960 -1.766 1.00 14.04 N ATOM 971 CA MET A 65 15.667 4.109 -2.490 1.00 64.51 C ATOM 972 C MET A 65 16.745 4.723 -3.386 1.00 44.11 C ATOM 973 O MET A 65 16.568 4.820 -4.599 1.00 35.15 O ATOM 974 CB MET A 65 15.171 5.159 -1.494 1.00 75.32 C ATOM 975 CG MET A 65 14.044 5.999 -2.099 1.00 12.54 C ATOM 976 SD MET A 65 12.465 5.244 -1.751 1.00 72.52 S ATOM 977 CE MET A 65 11.953 4.819 -3.407 1.00 71.41 C ATOM 0 H MET A 65 16.058 3.000 -0.755 1.00 14.04 H new ATOM 0 HA MET A 65 14.843 3.777 -3.121 1.00 64.51 H new ATOM 0 HB2 MET A 65 14.817 4.667 -0.588 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.997 5.808 -1.203 1.00 75.32 H new ATOM 0 HG2 MET A 65 14.072 7.009 -1.689 1.00 12.54 H new ATOM 0 HG3 MET A 65 14.184 6.088 -3.176 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.212 4.020 -3.365 1.00 71.41 H new ATOM 0 HE2 MET A 65 11.516 5.694 -3.889 1.00 71.41 H new ATOM 0 HE3 MET A 65 12.817 4.483 -3.980 1.00 71.41 H new ATOM 987 N GLU A 66 17.838 5.121 -2.753 1.00 20.23 N ATOM 988 CA GLU A 66 18.945 5.723 -3.478 1.00 4.35 C ATOM 989 C GLU A 66 19.604 4.690 -4.394 1.00 12.41 C ATOM 990 O GLU A 66 19.794 4.941 -5.582 1.00 31.41 O ATOM 991 CB GLU A 66 19.966 6.332 -2.513 1.00 2.12 C ATOM 992 CG GLU A 66 21.088 7.038 -3.276 1.00 74.21 C ATOM 993 CD GLU A 66 21.054 8.547 -3.028 1.00 11.01 C ATOM 994 OE1 GLU A 66 20.940 9.330 -3.982 1.00 62.03 O ATOM 995 OE2 GLU A 66 21.148 8.898 -1.789 1.00 61.41 O1- ATOM 0 H GLU A 66 17.981 5.039 -1.746 1.00 20.23 H new ATOM 0 HA GLU A 66 18.553 6.530 -4.097 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.469 7.042 -1.852 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.387 5.549 -1.882 1.00 2.12 H new ATOM 0 HG2 GLU A 66 22.053 6.636 -2.965 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.988 6.839 -4.343 1.00 74.21 H new ATOM 1003 N TYR A 67 19.935 3.550 -3.805 1.00 2.54 N ATOM 1004 CA TYR A 67 20.569 2.478 -4.554 1.00 70.14 C ATOM 1005 C TYR A 67 19.798 2.178 -5.842 1.00 15.44 C ATOM 1006 O TYR A 67 20.285 2.452 -6.938 1.00 20.34 O ATOM 1007 CB TYR A 67 20.521 1.246 -3.648 1.00 71.01 C ATOM 1008 CG TYR A 67 20.971 -0.048 -4.331 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.303 -0.409 -4.316 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.045 -0.852 -4.964 1.00 73.53 C ATOM 1011 CE1 TYR A 67 22.726 -1.625 -4.960 1.00 12.44 C ATOM 1012 CE2 TYR A 67 20.467 -2.068 -5.608 1.00 50.13 C ATOM 1013 CZ TYR A 67 21.787 -2.395 -5.574 1.00 70.00 C ATOM 1014 OH TYR A 67 22.187 -3.544 -6.181 1.00 1.15 O ATOM 0 H TYR A 67 19.776 3.345 -2.818 1.00 2.54 H new ATOM 0 HA TYR A 67 21.586 2.754 -4.833 1.00 70.14 H new ATOM 0 HB2 TYR A 67 21.152 1.423 -2.777 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.502 1.116 -3.282 1.00 71.01 H new ATOM 0 HD1 TYR A 67 23.028 0.221 -3.821 1.00 25.24 H new ATOM 0 HD2 TYR A 67 19.003 -0.569 -4.976 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.765 -1.919 -4.956 1.00 12.44 H new ATOM 0 HE2 TYR A 67 19.752 -2.706 -6.107 1.00 50.13 H new ATOM 0 HH TYR A 67 21.533 -3.798 -6.865 1.00 1.15 H new ATOM 1024 N LEU A 68 18.609 1.621 -5.666 1.00 3.24 N ATOM 1025 CA LEU A 68 17.766 1.282 -6.801 1.00 35.25 C ATOM 1026 C LEU A 68 17.813 2.420 -7.823 1.00 53.11 C ATOM 1027 O LEU A 68 18.062 2.187 -9.004 1.00 15.43 O ATOM 1028 CB LEU A 68 16.352 0.933 -6.332 1.00 63.11 C ATOM 1029 CG LEU A 68 15.611 -0.118 -7.163 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.180 -0.307 -6.656 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.652 0.231 -8.652 1.00 71.44 C ATOM 0 H LEU A 68 18.209 1.396 -4.755 1.00 3.24 H new ATOM 0 HA LEU A 68 18.140 0.389 -7.301 1.00 35.25 H new ATOM 0 HB2 LEU A 68 16.409 0.580 -5.302 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.757 1.846 -6.323 1.00 63.11 H new ATOM 0 HG LEU A 68 16.123 -1.073 -7.043 1.00 65.23 H new ATOM 0 HD11 LEU A 68 13.675 -1.059 -7.263 1.00 12.31 H new ATOM 0 HD12 LEU A 68 14.203 -0.635 -5.617 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.641 0.638 -6.726 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.118 -0.532 -9.219 1.00 71.44 H new ATOM 0 HD22 LEU A 68 15.179 1.200 -8.812 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.688 0.274 -8.987 1.00 71.44 H new ATOM 1043 N GLU A 69 17.570 3.625 -7.330 1.00 15.25 N ATOM 1044 CA GLU A 69 17.581 4.799 -8.187 1.00 72.12 C ATOM 1045 C GLU A 69 18.832 4.803 -9.066 1.00 22.31 C ATOM 1046 O GLU A 69 18.752 5.070 -10.265 1.00 70.33 O ATOM 1047 CB GLU A 69 17.489 6.082 -7.358 1.00 51.12 C ATOM 1048 CG GLU A 69 17.384 7.312 -8.262 1.00 33.34 C ATOM 1049 CD GLU A 69 16.936 8.540 -7.466 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.403 8.753 -6.338 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.070 9.289 -8.063 1.00 3.24 O1- ATOM 0 H GLU A 69 17.364 3.814 -6.349 1.00 15.25 H new ATOM 0 HA GLU A 69 16.706 4.760 -8.836 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.620 6.034 -6.701 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.367 6.170 -6.719 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.349 7.509 -8.728 1.00 33.34 H new ATOM 0 HG3 GLU A 69 16.675 7.117 -9.067 1.00 33.34 H new ATOM 1059 N ASN A 70 19.959 4.504 -8.438 1.00 1.34 N ATOM 1060 CA ASN A 70 21.226 4.470 -9.149 1.00 62.35 C ATOM 1061 C ASN A 70 22.273 3.764 -8.284 1.00 55.43 C ATOM 1062 O ASN A 70 23.002 4.412 -7.534 1.00 45.53 O ATOM 1063 CB ASN A 70 21.731 5.884 -9.443 1.00 44.13 C ATOM 1064 CG ASN A 70 21.009 6.485 -10.650 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.093 5.995 -11.764 1.00 35.54 O ATOM 1066 ND2 ASN A 70 20.295 7.571 -10.368 1.00 0.54 N ATOM 0 H ASN A 70 20.022 4.283 -7.444 1.00 1.34 H new ATOM 0 HA ASN A 70 21.071 3.940 -10.089 1.00 62.35 H new ATOM 0 HB2 ASN A 70 21.576 6.518 -8.570 1.00 44.13 H new ATOM 0 HB3 ASN A 70 22.804 5.859 -9.632 1.00 44.13 H new ATOM 0 HD21 ASN A 70 19.775 8.045 -11.106 1.00 0.54 H new ATOM 0 HD22 ASN A 70 20.267 7.929 -9.413 1.00 0.54 H new ATOM 1073 N PRO A 71 22.315 2.412 -8.421 1.00 54.04 N ATOM 1074 CA PRO A 71 23.260 1.611 -7.662 1.00 32.44 C ATOM 1075 C PRO A 71 24.674 1.748 -8.229 1.00 41.31 C ATOM 1076 O PRO A 71 25.645 1.350 -7.587 1.00 74.34 O ATOM 1077 CB PRO A 71 22.723 0.191 -7.738 1.00 13.22 C ATOM 1078 CG PRO A 71 21.763 0.171 -8.917 1.00 74.42 C ATOM 1079 CD PRO A 71 21.467 1.612 -9.301 1.00 62.30 C ATOM 0 HA PRO A 71 23.347 1.934 -6.625 1.00 32.44 H new ATOM 0 HB2 PRO A 71 23.532 -0.525 -7.881 1.00 13.22 H new ATOM 0 HB3 PRO A 71 22.213 -0.084 -6.815 1.00 13.22 H new ATOM 0 HG2 PRO A 71 22.202 -0.366 -9.758 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.843 -0.350 -8.652 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.698 1.798 -10.350 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.413 1.851 -9.160 1.00 62.30 H new ATOM 1087 N LYS A 72 24.745 2.311 -9.427 1.00 40.44 N ATOM 1088 CA LYS A 72 26.025 2.505 -10.087 1.00 22.32 C ATOM 1089 C LYS A 72 26.870 3.487 -9.274 1.00 63.53 C ATOM 1090 O LYS A 72 28.081 3.581 -9.471 1.00 45.42 O ATOM 1091 CB LYS A 72 25.818 2.929 -11.542 1.00 54.30 C ATOM 1092 CG LYS A 72 25.021 1.874 -12.313 1.00 41.01 C ATOM 1093 CD LYS A 72 25.898 0.667 -12.655 1.00 72.43 C ATOM 1094 CE LYS A 72 26.767 0.950 -13.882 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.355 -0.304 -14.401 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.937 2.639 -9.957 1.00 40.44 H new ATOM 0 HA LYS A 72 26.579 1.567 -10.128 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.292 3.883 -11.575 1.00 54.30 H new ATOM 0 HB3 LYS A 72 26.785 3.081 -12.021 1.00 54.30 H new ATOM 0 HG2 LYS A 72 24.167 1.551 -11.717 1.00 41.01 H new ATOM 0 HG3 LYS A 72 24.624 2.311 -13.229 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.533 0.422 -11.804 1.00 72.43 H new ATOM 0 HD3 LYS A 72 25.268 -0.203 -12.844 1.00 72.43 H new ATOM 0 HE2 LYS A 72 26.167 1.426 -14.658 1.00 51.53 H new ATOM 0 HE3 LYS A 72 27.561 1.649 -13.619 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 27.942 -0.094 -15.234 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 27.944 -0.742 -13.664 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 26.593 -0.959 -14.671 1.00 51.14 H new ATOM 1108 N LYS A 73 26.199 4.195 -8.378 1.00 4.23 N ATOM 1109 CA LYS A 73 26.873 5.168 -7.535 1.00 34.14 C ATOM 1110 C LYS A 73 26.986 4.612 -6.113 1.00 2.10 C ATOM 1111 O LYS A 73 27.960 4.881 -5.413 1.00 35.44 O ATOM 1112 CB LYS A 73 26.168 6.523 -7.611 1.00 1.20 C ATOM 1113 CG LYS A 73 25.009 6.595 -6.615 1.00 32.13 C ATOM 1114 CD LYS A 73 23.901 7.518 -7.127 1.00 55.50 C ATOM 1115 CE LYS A 73 24.308 8.988 -6.998 1.00 5.11 C ATOM 1116 NZ LYS A 73 25.158 9.393 -8.140 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.195 4.114 -8.217 1.00 4.23 H new ATOM 0 HA LYS A 73 27.888 5.343 -7.892 1.00 34.14 H new ATOM 0 HB2 LYS A 73 26.881 7.320 -7.402 1.00 1.20 H new ATOM 0 HB3 LYS A 73 25.794 6.686 -8.622 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.606 5.596 -6.448 1.00 32.13 H new ATOM 0 HG3 LYS A 73 25.373 6.957 -5.654 1.00 32.13 H new ATOM 0 HD2 LYS A 73 23.684 7.287 -8.170 1.00 55.50 H new ATOM 0 HD3 LYS A 73 22.985 7.340 -6.564 1.00 55.50 H new ATOM 0 HE2 LYS A 73 23.418 9.616 -6.959 1.00 5.11 H new ATOM 0 HE3 LYS A 73 24.847 9.141 -6.063 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 24.861 10.331 -8.478 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.152 9.433 -7.836 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 25.059 8.700 -8.909 1.00 51.34 H new ATOM 1129 N TYR A 74 25.975 3.847 -5.729 1.00 21.02 N ATOM 1130 CA TYR A 74 25.949 3.251 -4.404 1.00 11.41 C ATOM 1131 C TYR A 74 27.060 2.212 -4.248 1.00 42.23 C ATOM 1132 O TYR A 74 27.712 2.147 -3.207 1.00 73.43 O ATOM 1133 CB TYR A 74 24.593 2.552 -4.284 1.00 34.24 C ATOM 1134 CG TYR A 74 24.132 2.332 -2.841 1.00 13.51 C ATOM 1135 CD1 TYR A 74 24.877 1.538 -1.993 1.00 55.13 C ATOM 1136 CD2 TYR A 74 22.973 2.928 -2.389 1.00 0.20 C ATOM 1137 CE1 TYR A 74 24.444 1.332 -0.635 1.00 30.14 C ATOM 1138 CE2 TYR A 74 22.539 2.722 -1.031 1.00 65.02 C ATOM 1139 CZ TYR A 74 23.296 1.933 -0.222 1.00 60.53 C ATOM 1140 OH TYR A 74 22.887 1.739 1.061 1.00 63.13 O ATOM 0 H TYR A 74 25.168 3.626 -6.312 1.00 21.02 H new ATOM 0 HA TYR A 74 26.097 4.012 -3.638 1.00 11.41 H new ATOM 0 HB2 TYR A 74 23.843 3.144 -4.808 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.647 1.587 -4.788 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.784 1.071 -2.348 1.00 55.13 H new ATOM 0 HD2 TYR A 74 22.391 3.549 -3.053 1.00 0.20 H new ATOM 0 HE1 TYR A 74 25.018 0.714 0.040 1.00 30.14 H new ATOM 0 HE2 TYR A 74 21.634 3.183 -0.664 1.00 65.02 H new ATOM 0 HH TYR A 74 22.203 2.402 1.290 1.00 63.13 H new ATOM 1150 N ILE A 75 27.244 1.426 -5.298 1.00 35.22 N ATOM 1151 CA ILE A 75 28.266 0.393 -5.291 1.00 2.31 C ATOM 1152 C ILE A 75 29.032 0.429 -6.615 1.00 30.40 C ATOM 1153 O ILE A 75 28.695 -0.293 -7.550 1.00 3.45 O ATOM 1154 CB ILE A 75 27.648 -0.971 -4.976 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.691 -0.877 -3.786 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.733 -2.027 -4.756 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.055 -2.236 -3.484 1.00 1.01 C ATOM 0 H ILE A 75 26.702 1.484 -6.160 1.00 35.22 H new ATOM 0 HA ILE A 75 28.990 0.580 -4.498 1.00 2.31 H new ATOM 0 HB ILE A 75 27.061 -1.287 -5.838 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.231 -0.521 -2.908 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.911 -0.146 -3.999 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.267 -2.987 -4.534 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.340 -2.118 -5.657 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.366 -1.729 -3.920 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.379 -2.141 -2.634 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.496 -2.578 -4.355 1.00 1.01 H new ATOM 0 HD13 ILE A 75 26.836 -2.959 -3.248 1.00 1.01 H new ATOM 1169 N PRO A 76 30.075 1.302 -6.651 1.00 75.43 N ATOM 1170 CA PRO A 76 30.891 1.443 -7.844 1.00 60.41 C ATOM 1171 C PRO A 76 31.837 0.251 -8.006 1.00 71.21 C ATOM 1172 O PRO A 76 32.794 0.106 -7.246 1.00 23.43 O ATOM 1173 CB PRO A 76 31.624 2.762 -7.667 1.00 52.32 C ATOM 1174 CG PRO A 76 31.549 3.085 -6.183 1.00 32.44 C ATOM 1175 CD PRO A 76 30.503 2.174 -5.561 1.00 2.31 C ATOM 0 HA PRO A 76 30.299 1.452 -8.759 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.660 2.681 -7.997 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.161 3.549 -8.262 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.519 2.932 -5.709 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.282 4.131 -6.033 1.00 32.44 H new ATOM 0 HD2 PRO A 76 30.920 1.599 -4.734 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.667 2.747 -5.161 1.00 2.31 H new ATOM 1183 N GLY A 77 31.536 -0.573 -8.999 1.00 41.14 N ATOM 1184 CA GLY A 77 32.348 -1.748 -9.268 1.00 61.20 C ATOM 1185 C GLY A 77 31.484 -3.009 -9.326 1.00 2.42 C ATOM 1186 O GLY A 77 31.916 -4.039 -9.841 1.00 31.14 O ATOM 0 H GLY A 77 30.742 -0.450 -9.627 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.876 -1.621 -10.213 1.00 61.20 H new ATOM 0 HA3 GLY A 77 33.105 -1.857 -8.492 1.00 61.20 H new ATOM 1190 N THR A 78 30.279 -2.888 -8.789 1.00 45.32 N ATOM 1191 CA THR A 78 29.350 -4.006 -8.773 1.00 52.32 C ATOM 1192 C THR A 78 29.288 -4.667 -10.151 1.00 15.00 C ATOM 1193 O THR A 78 29.801 -4.124 -11.129 1.00 74.51 O ATOM 1194 CB THR A 78 27.996 -3.488 -8.285 1.00 44.04 C ATOM 1195 OG1 THR A 78 27.217 -4.668 -8.109 1.00 51.42 O ATOM 1196 CG2 THR A 78 27.246 -2.704 -9.364 1.00 71.52 C ATOM 0 H THR A 78 29.924 -2.033 -8.361 1.00 45.32 H new ATOM 0 HA THR A 78 29.681 -4.787 -8.088 1.00 52.32 H new ATOM 0 HB THR A 78 28.143 -2.853 -7.411 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.322 -4.425 -7.792 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.292 -2.359 -8.966 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.843 -1.845 -9.671 1.00 71.52 H new ATOM 0 HG23 THR A 78 27.068 -3.349 -10.225 1.00 71.52 H new ATOM 1204 N LYS A 79 28.655 -5.831 -10.186 1.00 35.35 N ATOM 1205 CA LYS A 79 28.518 -6.571 -11.428 1.00 23.13 C ATOM 1206 C LYS A 79 27.033 -6.776 -11.735 1.00 32.14 C ATOM 1207 O LYS A 79 26.633 -7.837 -12.209 1.00 61.34 O ATOM 1208 CB LYS A 79 29.318 -7.874 -11.365 1.00 4.04 C ATOM 1209 CG LYS A 79 29.357 -8.425 -9.938 1.00 33.42 C ATOM 1210 CD LYS A 79 30.059 -9.784 -9.894 1.00 24.30 C ATOM 1211 CE LYS A 79 29.502 -10.653 -8.765 1.00 10.21 C ATOM 1212 NZ LYS A 79 30.318 -11.876 -8.601 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.231 -6.279 -9.374 1.00 35.35 H new ATOM 0 HA LYS A 79 28.939 -6.003 -12.258 1.00 23.13 H new ATOM 0 HB2 LYS A 79 28.871 -8.612 -12.031 1.00 4.04 H new ATOM 0 HB3 LYS A 79 30.334 -7.699 -11.719 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.877 -7.722 -9.287 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.341 -8.524 -9.555 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.930 -10.295 -10.848 1.00 24.30 H new ATOM 0 HD3 LYS A 79 31.130 -9.640 -9.752 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.493 -10.087 -7.833 1.00 10.21 H new ATOM 0 HE3 LYS A 79 28.469 -10.925 -8.983 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 29.926 -12.454 -7.831 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 30.305 -12.423 -9.485 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 31.297 -11.612 -8.371 1.00 45.34 H new ATOM 1225 N MET A 80 26.256 -5.740 -11.451 1.00 75.05 N ATOM 1226 CA MET A 80 24.824 -5.793 -11.690 1.00 44.10 C ATOM 1227 C MET A 80 24.449 -5.007 -12.949 1.00 15.21 C ATOM 1228 O MET A 80 24.682 -3.802 -13.026 1.00 11.50 O ATOM 1229 CB MET A 80 24.083 -5.209 -10.486 1.00 41.23 C ATOM 1230 CG MET A 80 22.585 -5.080 -10.773 1.00 12.33 C ATOM 1231 SD MET A 80 21.673 -5.016 -9.240 1.00 55.50 S ATOM 1232 CE MET A 80 20.857 -3.440 -9.430 1.00 4.13 C ATOM 0 H MET A 80 26.591 -4.860 -11.058 1.00 75.05 H new ATOM 0 HA MET A 80 24.537 -6.835 -11.834 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.236 -5.847 -9.616 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.495 -4.230 -10.240 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.394 -4.180 -11.357 1.00 12.33 H new ATOM 0 HG3 MET A 80 22.247 -5.926 -11.372 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.240 -3.241 -8.553 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.604 -2.653 -9.534 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.227 -3.461 -10.319 1.00 4.13 H new ATOM 1242 N ILE A 81 23.876 -5.723 -13.905 1.00 73.13 N ATOM 1243 CA ILE A 81 23.467 -5.109 -15.158 1.00 63.41 C ATOM 1244 C ILE A 81 22.116 -4.417 -14.963 1.00 63.43 C ATOM 1245 O ILE A 81 21.104 -5.077 -14.732 1.00 21.32 O ATOM 1246 CB ILE A 81 23.473 -6.140 -16.287 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.711 -7.035 -16.206 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.344 -5.459 -17.652 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.992 -6.199 -16.191 1.00 64.30 C ATOM 0 H ILE A 81 23.685 -6.723 -13.838 1.00 73.13 H new ATOM 0 HA ILE A 81 24.180 -4.340 -15.457 1.00 63.41 H new ATOM 0 HB ILE A 81 22.603 -6.785 -16.166 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.662 -7.648 -15.306 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.727 -7.717 -17.056 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.351 -6.215 -18.438 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.409 -4.901 -17.693 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.181 -4.776 -17.798 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.857 -6.860 -16.133 1.00 64.30 H new ATOM 0 HD12 ILE A 81 26.050 -5.605 -17.103 1.00 64.30 H new ATOM 0 HD13 ILE A 81 25.983 -5.536 -15.326 1.00 64.30 H new ATOM 1261 N PHE A 82 22.144 -3.096 -15.063 1.00 51.30 N ATOM 1262 CA PHE A 82 20.935 -2.307 -14.902 1.00 2.04 C ATOM 1263 C PHE A 82 21.175 -0.848 -15.299 1.00 11.53 C ATOM 1264 O PHE A 82 22.318 -0.418 -15.433 1.00 33.35 O ATOM 1265 CB PHE A 82 20.557 -2.364 -13.421 1.00 11.41 C ATOM 1266 CG PHE A 82 19.148 -1.854 -13.117 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.116 -2.175 -13.942 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.927 -1.078 -12.022 1.00 64.53 C ATOM 1269 CE1 PHE A 82 16.806 -1.701 -13.660 1.00 21.13 C ATOM 1270 CE2 PHE A 82 17.619 -0.604 -11.741 1.00 62.32 C ATOM 1271 CZ PHE A 82 16.586 -0.926 -12.566 1.00 52.30 C ATOM 0 H PHE A 82 22.986 -2.552 -15.254 1.00 51.30 H new ATOM 0 HA PHE A 82 20.145 -2.704 -15.539 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.642 -3.394 -13.075 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.276 -1.776 -12.851 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.292 -2.790 -14.812 1.00 24.33 H new ATOM 0 HD2 PHE A 82 19.747 -0.823 -11.367 1.00 64.53 H new ATOM 0 HE1 PHE A 82 15.986 -1.957 -14.315 1.00 21.13 H new ATOM 0 HE2 PHE A 82 17.444 0.013 -10.872 1.00 62.32 H new ATOM 0 HZ PHE A 82 15.591 -0.565 -12.351 1.00 52.30 H new ATOM 1281 N VAL A 83 20.077 -0.128 -15.473 1.00 11.14 N ATOM 1282 CA VAL A 83 20.152 1.273 -15.851 1.00 50.45 C ATOM 1283 C VAL A 83 19.699 2.139 -14.675 1.00 64.23 C ATOM 1284 O VAL A 83 20.331 3.148 -14.362 1.00 22.41 O ATOM 1285 CB VAL A 83 19.338 1.517 -17.123 1.00 72.20 C ATOM 1286 CG1 VAL A 83 19.864 0.671 -18.282 1.00 12.30 C ATOM 1287 CG2 VAL A 83 17.850 1.251 -16.880 1.00 22.20 C ATOM 0 H VAL A 83 19.130 -0.489 -15.359 1.00 11.14 H new ATOM 0 HA VAL A 83 21.180 1.551 -16.082 1.00 50.45 H new ATOM 0 HB VAL A 83 19.451 2.566 -17.397 1.00 72.20 H new ATOM 0 HG11 VAL A 83 19.267 0.864 -19.174 1.00 12.30 H new ATOM 0 HG12 VAL A 83 20.904 0.930 -18.479 1.00 12.30 H new ATOM 0 HG13 VAL A 83 19.796 -0.385 -18.022 1.00 12.30 H new ATOM 0 HG21 VAL A 83 17.293 1.432 -17.799 1.00 22.20 H new ATOM 0 HG22 VAL A 83 17.711 0.215 -16.569 1.00 22.20 H new ATOM 0 HG23 VAL A 83 17.484 1.916 -16.098 1.00 22.20 H new ATOM 1297 N GLY A 84 18.608 1.715 -14.054 1.00 42.12 N ATOM 1298 CA GLY A 84 18.063 2.439 -12.918 1.00 22.32 C ATOM 1299 C GLY A 84 16.651 2.947 -13.219 1.00 4.23 C ATOM 1300 O GLY A 84 16.255 3.040 -14.380 1.00 44.21 O ATOM 0 H GLY A 84 18.086 0.879 -14.316 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.041 1.788 -12.044 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.712 3.280 -12.673 1.00 22.32 H new ATOM 1304 N ILE A 85 15.931 3.263 -12.153 1.00 0.21 N ATOM 1305 CA ILE A 85 14.573 3.759 -12.288 1.00 22.34 C ATOM 1306 C ILE A 85 14.565 5.276 -12.083 1.00 73.43 C ATOM 1307 O ILE A 85 15.525 5.840 -11.560 1.00 55.21 O ATOM 1308 CB ILE A 85 13.631 3.007 -11.345 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.804 1.494 -11.490 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.179 3.441 -11.558 1.00 13.43 C ATOM 1311 CD1 ILE A 85 12.779 0.740 -10.641 1.00 71.13 C ATOM 0 H ILE A 85 16.263 3.185 -11.192 1.00 0.21 H new ATOM 0 HA ILE A 85 14.198 3.570 -13.294 1.00 22.34 H new ATOM 0 HB ILE A 85 13.897 3.265 -10.320 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.693 1.211 -12.537 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.812 1.209 -11.188 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.531 2.891 -10.875 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.087 4.510 -11.364 1.00 13.43 H new ATOM 0 HG23 ILE A 85 11.884 3.232 -12.586 1.00 13.43 H new ATOM 0 HD11 ILE A 85 12.925 -0.333 -10.763 1.00 71.13 H new ATOM 0 HD12 ILE A 85 12.908 1.007 -9.592 1.00 71.13 H new ATOM 0 HD13 ILE A 85 11.773 1.008 -10.962 1.00 71.13 H new ATOM 1323 N LYS A 86 13.471 5.892 -12.504 1.00 70.13 N ATOM 1324 CA LYS A 86 13.325 7.332 -12.374 1.00 52.41 C ATOM 1325 C LYS A 86 12.258 7.640 -11.321 1.00 72.24 C ATOM 1326 O LYS A 86 12.579 8.062 -10.211 1.00 12.14 O ATOM 1327 CB LYS A 86 13.046 7.969 -13.736 1.00 14.22 C ATOM 1328 CG LYS A 86 13.331 9.471 -13.708 1.00 24.43 C ATOM 1329 CD LYS A 86 12.996 10.118 -15.054 1.00 71.23 C ATOM 1330 CE LYS A 86 14.249 10.254 -15.924 1.00 51.35 C ATOM 1331 NZ LYS A 86 14.399 9.073 -16.803 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.676 5.420 -12.936 1.00 70.13 H new ATOM 0 HA LYS A 86 14.256 7.778 -12.025 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.663 7.492 -14.498 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.006 7.798 -14.015 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.745 9.941 -12.918 1.00 24.43 H new ATOM 0 HG3 LYS A 86 14.381 9.641 -13.470 1.00 24.43 H new ATOM 0 HD2 LYS A 86 12.251 9.517 -15.575 1.00 71.23 H new ATOM 0 HD3 LYS A 86 12.555 11.101 -14.889 1.00 71.23 H new ATOM 0 HE2 LYS A 86 14.183 11.159 -16.528 1.00 51.35 H new ATOM 0 HE3 LYS A 86 15.130 10.357 -15.290 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 15.113 9.272 -17.533 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 14.701 8.255 -16.237 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 13.488 8.861 -17.259 1.00 32.04 H new ATOM 1344 N LYS A 87 11.011 7.416 -11.708 1.00 51.43 N ATOM 1345 CA LYS A 87 9.895 7.664 -10.811 1.00 71.11 C ATOM 1346 C LYS A 87 10.202 7.056 -9.441 1.00 30.25 C ATOM 1347 O LYS A 87 10.336 5.840 -9.313 1.00 52.34 O ATOM 1348 CB LYS A 87 8.589 7.158 -11.429 1.00 51.42 C ATOM 1349 CG LYS A 87 8.111 8.094 -12.541 1.00 42.12 C ATOM 1350 CD LYS A 87 6.627 7.873 -12.843 1.00 3.45 C ATOM 1351 CE LYS A 87 6.439 6.774 -13.891 1.00 15.15 C ATOM 1352 NZ LYS A 87 7.119 5.530 -13.465 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.749 7.066 -12.629 1.00 51.43 H new ATOM 0 HA LYS A 87 9.757 8.735 -10.661 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.737 6.156 -11.831 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.823 7.082 -10.658 1.00 51.42 H new ATOM 0 HG2 LYS A 87 8.275 9.130 -12.245 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.699 7.923 -13.443 1.00 42.12 H new ATOM 0 HD2 LYS A 87 6.102 7.601 -11.927 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.183 8.802 -13.201 1.00 3.45 H new ATOM 0 HE2 LYS A 87 5.376 6.582 -14.039 1.00 15.15 H new ATOM 0 HE3 LYS A 87 6.840 7.105 -14.849 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 6.720 4.721 -13.983 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 8.136 5.603 -13.669 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 6.980 5.390 -12.444 1.00 2.13 H new ATOM 1365 N LYS A 88 10.304 7.931 -8.450 1.00 73.34 N ATOM 1366 CA LYS A 88 10.592 7.496 -7.094 1.00 10.55 C ATOM 1367 C LYS A 88 9.477 6.565 -6.613 1.00 15.32 C ATOM 1368 O LYS A 88 9.746 5.476 -6.109 1.00 51.24 O ATOM 1369 CB LYS A 88 10.823 8.703 -6.183 1.00 73.43 C ATOM 1370 CG LYS A 88 9.515 9.455 -5.928 1.00 35.34 C ATOM 1371 CD LYS A 88 9.779 10.799 -5.247 1.00 1.31 C ATOM 1372 CE LYS A 88 10.786 10.646 -4.104 1.00 44.14 C ATOM 1373 NZ LYS A 88 10.210 9.828 -3.013 1.00 21.31 N1+ ATOM 0 H LYS A 88 10.192 8.939 -8.560 1.00 73.34 H new ATOM 0 HA LYS A 88 11.519 6.923 -7.066 1.00 10.55 H new ATOM 0 HB2 LYS A 88 11.247 8.372 -5.235 1.00 73.43 H new ATOM 0 HB3 LYS A 88 11.550 9.375 -6.640 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.995 9.618 -6.872 1.00 35.34 H new ATOM 0 HG3 LYS A 88 8.859 8.849 -5.303 1.00 35.34 H new ATOM 0 HD2 LYS A 88 10.159 11.513 -5.978 1.00 1.31 H new ATOM 0 HD3 LYS A 88 8.844 11.205 -4.861 1.00 1.31 H new ATOM 0 HE2 LYS A 88 11.698 10.178 -4.475 1.00 44.14 H new ATOM 0 HE3 LYS A 88 11.064 11.628 -3.722 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 10.886 9.776 -2.224 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 9.325 10.263 -2.683 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 10.014 8.869 -3.364 1.00 21.31 H new ATOM 1386 N GLU A 89 8.248 7.030 -6.786 1.00 4.13 N ATOM 1387 CA GLU A 89 7.090 6.252 -6.376 1.00 30.31 C ATOM 1388 C GLU A 89 7.198 4.820 -6.904 1.00 34.03 C ATOM 1389 O GLU A 89 6.888 3.867 -6.191 1.00 20.11 O ATOM 1390 CB GLU A 89 5.792 6.913 -6.844 1.00 13.22 C ATOM 1391 CG GLU A 89 5.400 8.068 -5.921 1.00 72.24 C ATOM 1392 CD GLU A 89 3.909 8.386 -6.044 1.00 43.14 C ATOM 1393 OE1 GLU A 89 3.110 7.497 -6.372 1.00 43.15 O ATOM 1394 OE2 GLU A 89 3.589 9.609 -5.784 1.00 73.44 O1- ATOM 0 H GLU A 89 8.029 7.934 -7.204 1.00 4.13 H new ATOM 0 HA GLU A 89 7.068 6.216 -5.287 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.915 7.282 -7.862 1.00 13.22 H new ATOM 0 HB3 GLU A 89 4.991 6.174 -6.867 1.00 13.22 H new ATOM 0 HG2 GLU A 89 5.636 7.810 -4.889 1.00 72.24 H new ATOM 0 HG3 GLU A 89 5.986 8.953 -6.170 1.00 72.24 H new ATOM 1402 N GLU A 90 7.639 4.714 -8.148 1.00 5.05 N ATOM 1403 CA GLU A 90 7.792 3.414 -8.780 1.00 64.24 C ATOM 1404 C GLU A 90 8.707 2.520 -7.940 1.00 42.35 C ATOM 1405 O GLU A 90 8.451 1.325 -7.797 1.00 45.31 O ATOM 1406 CB GLU A 90 8.325 3.557 -10.206 1.00 25.43 C ATOM 1407 CG GLU A 90 7.821 2.419 -11.096 1.00 31.10 C ATOM 1408 CD GLU A 90 8.471 2.476 -12.480 1.00 25.43 C ATOM 1409 OE1 GLU A 90 9.546 3.074 -12.637 1.00 53.11 O ATOM 1410 OE2 GLU A 90 7.821 1.868 -13.414 1.00 24.22 O1- ATOM 0 H GLU A 90 7.896 5.507 -8.736 1.00 5.05 H new ATOM 0 HA GLU A 90 6.811 2.943 -8.840 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.011 4.515 -10.621 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.415 3.558 -10.192 1.00 25.43 H new ATOM 0 HG2 GLU A 90 8.041 1.460 -10.626 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.738 2.484 -11.196 1.00 31.10 H new ATOM 1418 N ARG A 91 9.754 3.133 -7.408 1.00 31.35 N ATOM 1419 CA ARG A 91 10.707 2.408 -6.586 1.00 20.15 C ATOM 1420 C ARG A 91 10.046 1.946 -5.286 1.00 3.32 C ATOM 1421 O ARG A 91 10.503 0.993 -4.657 1.00 1.04 O ATOM 1422 CB ARG A 91 11.921 3.278 -6.252 1.00 14.11 C ATOM 1423 CG ARG A 91 12.883 3.357 -7.439 1.00 42.25 C ATOM 1424 CD ARG A 91 14.209 4.001 -7.028 1.00 41.32 C ATOM 1425 NE ARG A 91 14.046 5.467 -6.912 1.00 5.33 N ATOM 1426 CZ ARG A 91 14.202 6.329 -7.939 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.528 5.879 -9.169 1.00 41.21 N ATOM 1428 NH2 ARG A 91 14.032 7.620 -7.722 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.963 4.124 -7.530 1.00 31.35 H new ATOM 0 HA ARG A 91 11.041 1.540 -7.155 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.591 4.280 -5.980 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.440 2.867 -5.386 1.00 14.11 H new ATOM 0 HG2 ARG A 91 13.066 2.356 -7.830 1.00 42.25 H new ATOM 0 HG3 ARG A 91 12.428 3.935 -8.243 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.544 3.588 -6.077 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.979 3.770 -7.764 1.00 41.32 H new ATOM 0 HE ARG A 91 13.800 5.850 -5.999 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.659 4.880 -9.329 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.644 6.538 -9.939 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.787 7.952 -6.789 1.00 32.24 H new ATOM 0 HH22 ARG A 91 14.146 8.285 -8.487 1.00 32.24 H new ATOM 1441 N ALA A 92 8.981 2.645 -4.922 1.00 43.14 N ATOM 1442 CA ALA A 92 8.252 2.318 -3.708 1.00 61.50 C ATOM 1443 C ALA A 92 7.438 1.043 -3.933 1.00 12.24 C ATOM 1444 O ALA A 92 7.518 0.103 -3.144 1.00 11.23 O ATOM 1445 CB ALA A 92 7.374 3.506 -3.305 1.00 62.14 C ATOM 0 H ALA A 92 8.606 3.436 -5.446 1.00 43.14 H new ATOM 0 HA ALA A 92 8.942 2.127 -2.886 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.827 3.262 -2.395 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.002 4.379 -3.128 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.667 3.724 -4.106 1.00 62.14 H new ATOM 1451 N ASP A 93 6.675 1.050 -5.016 1.00 75.33 N ATOM 1452 CA ASP A 93 5.848 -0.095 -5.357 1.00 73.40 C ATOM 1453 C ASP A 93 6.735 -1.334 -5.503 1.00 31.00 C ATOM 1454 O ASP A 93 6.290 -2.453 -5.251 1.00 62.34 O ATOM 1455 CB ASP A 93 5.120 0.125 -6.685 1.00 62.14 C ATOM 1456 CG ASP A 93 5.991 -0.033 -7.933 1.00 74.20 C ATOM 1457 OD1 ASP A 93 6.714 -1.029 -8.085 1.00 71.11 O ATOM 1458 OD2 ASP A 93 5.906 0.933 -8.783 1.00 64.24 O1- ATOM 0 H ASP A 93 6.612 1.831 -5.669 1.00 75.33 H new ATOM 0 HA ASP A 93 5.114 -0.228 -4.562 1.00 73.40 H new ATOM 0 HB2 ASP A 93 4.290 -0.579 -6.748 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.690 1.126 -6.685 1.00 62.14 H new ATOM 1464 N LEU A 94 7.971 -1.091 -5.911 1.00 12.24 N ATOM 1465 CA LEU A 94 8.924 -2.173 -6.093 1.00 1.33 C ATOM 1466 C LEU A 94 9.516 -2.562 -4.736 1.00 21.32 C ATOM 1467 O LEU A 94 9.692 -3.744 -4.448 1.00 4.12 O ATOM 1468 CB LEU A 94 9.977 -1.789 -7.135 1.00 1.22 C ATOM 1469 CG LEU A 94 10.575 -2.944 -7.942 1.00 64.13 C ATOM 1470 CD1 LEU A 94 11.577 -2.429 -8.976 1.00 14.55 C ATOM 1471 CD2 LEU A 94 11.192 -3.995 -7.018 1.00 54.24 C ATOM 0 H LEU A 94 8.335 -0.162 -6.121 1.00 12.24 H new ATOM 0 HA LEU A 94 8.424 -3.057 -6.488 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.529 -1.080 -7.831 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.789 -1.268 -6.627 1.00 1.22 H new ATOM 0 HG LEU A 94 9.769 -3.431 -8.491 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.987 -3.270 -9.536 1.00 14.55 H new ATOM 0 HD12 LEU A 94 11.074 -1.747 -9.662 1.00 14.55 H new ATOM 0 HD13 LEU A 94 12.385 -1.902 -8.469 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.610 -4.805 -7.616 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.983 -3.538 -6.423 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.424 -4.393 -6.355 1.00 54.24 H new ATOM 1483 N ILE A 95 9.805 -1.544 -3.940 1.00 21.15 N ATOM 1484 CA ILE A 95 10.372 -1.764 -2.620 1.00 63.21 C ATOM 1485 C ILE A 95 9.283 -2.287 -1.682 1.00 63.41 C ATOM 1486 O ILE A 95 9.582 -2.822 -0.615 1.00 23.11 O ATOM 1487 CB ILE A 95 11.063 -0.495 -2.116 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.316 -0.188 -2.936 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.368 -0.595 -0.619 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.721 1.280 -2.792 1.00 73.24 C ATOM 0 H ILE A 95 9.657 -0.564 -4.183 1.00 21.15 H new ATOM 0 HA ILE A 95 11.149 -2.527 -2.661 1.00 63.21 H new ATOM 0 HB ILE A 95 10.378 0.342 -2.251 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.135 -0.828 -2.608 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.133 -0.417 -3.986 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.859 0.319 -0.286 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.438 -0.730 -0.066 1.00 73.02 H new ATOM 0 HG23 ILE A 95 12.024 -1.446 -0.437 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.615 1.471 -3.386 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.910 1.917 -3.143 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.927 1.499 -1.744 1.00 73.24 H new ATOM 1502 N ALA A 96 8.043 -2.113 -2.113 1.00 32.22 N ATOM 1503 CA ALA A 96 6.907 -2.560 -1.325 1.00 61.14 C ATOM 1504 C ALA A 96 6.721 -4.067 -1.516 1.00 33.13 C ATOM 1505 O ALA A 96 6.254 -4.759 -0.612 1.00 22.11 O ATOM 1506 CB ALA A 96 5.662 -1.764 -1.724 1.00 55.41 C ATOM 0 H ALA A 96 7.800 -1.668 -2.998 1.00 32.22 H new ATOM 0 HA ALA A 96 7.082 -2.380 -0.264 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.810 -2.100 -1.132 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.835 -0.703 -1.542 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.453 -1.921 -2.782 1.00 55.41 H new ATOM 1512 N TYR A 97 7.095 -4.532 -2.699 1.00 60.33 N ATOM 1513 CA TYR A 97 6.975 -5.943 -3.021 1.00 13.11 C ATOM 1514 C TYR A 97 8.233 -6.709 -2.605 1.00 22.34 C ATOM 1515 O TYR A 97 8.150 -7.697 -1.877 1.00 64.42 O ATOM 1516 CB TYR A 97 6.826 -6.019 -4.541 1.00 3.14 C ATOM 1517 CG TYR A 97 7.079 -7.411 -5.124 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.589 -8.528 -4.478 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.798 -7.549 -6.293 1.00 74.52 C ATOM 1520 CE1 TYR A 97 6.828 -9.839 -5.027 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.037 -8.859 -6.841 1.00 1.23 C ATOM 1522 CZ TYR A 97 7.540 -9.939 -6.181 1.00 73.54 C ATOM 1523 OH TYR A 97 7.765 -11.176 -6.698 1.00 60.45 O ATOM 0 H TYR A 97 7.482 -3.956 -3.446 1.00 60.33 H new ATOM 0 HA TYR A 97 6.128 -6.385 -2.496 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.820 -5.700 -4.813 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.519 -5.313 -4.999 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.027 -8.420 -3.562 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.182 -6.674 -6.797 1.00 74.52 H new ATOM 0 HE1 TYR A 97 6.450 -10.722 -4.533 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.598 -8.981 -7.756 1.00 1.23 H new ATOM 0 HH TYR A 97 8.286 -11.095 -7.524 1.00 60.45 H new ATOM 1533 N LEU A 98 9.369 -6.224 -3.086 1.00 52.20 N ATOM 1534 CA LEU A 98 10.642 -6.850 -2.773 1.00 32.23 C ATOM 1535 C LEU A 98 10.734 -7.084 -1.264 1.00 0.11 C ATOM 1536 O LEU A 98 11.289 -8.087 -0.819 1.00 31.23 O ATOM 1537 CB LEU A 98 11.799 -6.023 -3.338 1.00 12.22 C ATOM 1538 CG LEU A 98 12.169 -6.300 -4.797 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.361 -5.443 -5.231 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.422 -7.791 -5.025 1.00 14.05 C ATOM 0 H LEU A 98 9.434 -5.405 -3.690 1.00 52.20 H new ATOM 0 HA LEU A 98 10.714 -7.826 -3.252 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.546 -4.967 -3.242 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.680 -6.197 -2.721 1.00 12.22 H new ATOM 0 HG LEU A 98 11.323 -6.018 -5.424 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.604 -5.658 -6.271 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.107 -4.388 -5.129 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.222 -5.672 -4.602 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.683 -7.960 -6.070 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.242 -8.123 -4.388 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.522 -8.354 -4.780 1.00 14.05 H new ATOM 1552 N LYS A 99 10.179 -6.140 -0.516 1.00 42.13 N ATOM 1553 CA LYS A 99 10.192 -6.231 0.934 1.00 65.14 C ATOM 1554 C LYS A 99 9.261 -7.360 1.378 1.00 74.10 C ATOM 1555 O LYS A 99 9.587 -8.114 2.295 1.00 12.40 O ATOM 1556 CB LYS A 99 9.854 -4.875 1.559 1.00 53.10 C ATOM 1557 CG LYS A 99 9.750 -4.984 3.081 1.00 51.40 C ATOM 1558 CD LYS A 99 9.208 -3.688 3.687 1.00 53.31 C ATOM 1559 CE LYS A 99 8.806 -3.892 5.150 1.00 14.20 C ATOM 1560 NZ LYS A 99 9.942 -4.437 5.927 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.718 -5.309 -0.887 1.00 42.13 H new ATOM 0 HA LYS A 99 11.191 -6.481 1.291 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.621 -4.147 1.294 1.00 53.10 H new ATOM 0 HB3 LYS A 99 8.912 -4.507 1.152 1.00 53.10 H new ATOM 0 HG2 LYS A 99 9.096 -5.815 3.346 1.00 51.40 H new ATOM 0 HG3 LYS A 99 10.731 -5.204 3.501 1.00 51.40 H new ATOM 0 HD2 LYS A 99 9.965 -2.907 3.620 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.346 -3.347 3.114 1.00 53.31 H new ATOM 0 HE2 LYS A 99 8.484 -2.944 5.581 1.00 14.20 H new ATOM 0 HE3 LYS A 99 7.957 -4.573 5.209 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 9.953 -4.008 6.874 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 9.839 -5.468 6.016 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 10.834 -4.219 5.438 1.00 30.50 H new ATOM 1573 N LYS A 100 8.122 -7.444 0.707 1.00 45.50 N ATOM 1574 CA LYS A 100 7.142 -8.470 1.021 1.00 71.42 C ATOM 1575 C LYS A 100 7.602 -9.806 0.434 1.00 15.31 C ATOM 1576 O LYS A 100 7.083 -10.860 0.798 1.00 13.03 O ATOM 1577 CB LYS A 100 5.749 -8.041 0.556 1.00 23.01 C ATOM 1578 CG LYS A 100 4.677 -8.999 1.078 1.00 62.30 C ATOM 1579 CD LYS A 100 3.325 -8.725 0.415 1.00 21.42 C ATOM 1580 CE LYS A 100 2.240 -9.640 0.983 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.002 -9.538 0.179 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.856 -6.818 -0.053 1.00 45.50 H new ATOM 0 HA LYS A 100 7.065 -8.605 2.100 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.540 -7.030 0.906 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.718 -8.014 -0.533 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.979 -10.028 0.884 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.584 -8.892 2.159 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.045 -7.683 0.570 1.00 21.42 H new ATOM 0 HD3 LYS A 100 3.407 -8.877 -0.661 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.593 -10.671 0.989 1.00 4.03 H new ATOM 0 HE3 LYS A 100 2.032 -9.368 2.018 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.276 -10.166 0.579 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.658 -8.557 0.194 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 1.201 -9.820 -0.802 1.00 72.11 H new ATOM 1594 N ALA A 101 8.570 -9.718 -0.467 1.00 64.02 N ATOM 1595 CA ALA A 101 9.105 -10.906 -1.109 1.00 24.13 C ATOM 1596 C ALA A 101 10.187 -11.519 -0.217 1.00 72.45 C ATOM 1597 O ALA A 101 10.273 -12.738 -0.088 1.00 21.11 O ATOM 1598 CB ALA A 101 9.632 -10.542 -2.499 1.00 75.14 C ATOM 0 H ALA A 101 8.997 -8.842 -0.767 1.00 64.02 H new ATOM 0 HA ALA A 101 8.324 -11.655 -1.242 1.00 24.13 H new ATOM 0 HB1 ALA A 101 10.034 -11.433 -2.981 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.819 -10.139 -3.102 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.420 -9.794 -2.405 1.00 75.14 H new ATOM 1604 N THR A 102 10.986 -10.643 0.377 1.00 15.34 N ATOM 1605 CA THR A 102 12.058 -11.082 1.253 1.00 4.43 C ATOM 1606 C THR A 102 11.506 -11.443 2.632 1.00 51.23 C ATOM 1607 O THR A 102 11.990 -12.373 3.276 1.00 33.25 O ATOM 1608 CB THR A 102 13.118 -9.980 1.292 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.459 -8.887 1.926 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.464 -9.449 -0.102 1.00 73.13 C ATOM 0 H THR A 102 10.911 -9.632 0.268 1.00 15.34 H new ATOM 0 HA THR A 102 12.528 -11.991 0.878 1.00 4.43 H new ATOM 0 HB THR A 102 14.021 -10.362 1.769 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.830 -8.043 1.592 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.221 -8.669 -0.017 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.849 -10.263 -0.716 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.569 -9.036 -0.567 1.00 73.13 H new ATOM 1618 N ASN A 103 10.498 -10.688 3.047 1.00 70.44 N ATOM 1619 CA ASN A 103 9.874 -10.917 4.339 1.00 11.44 C ATOM 1620 C ASN A 103 9.096 -12.234 4.300 1.00 44.21 C ATOM 1621 O ASN A 103 9.391 -13.156 5.058 1.00 20.15 O ATOM 1622 CB ASN A 103 8.890 -9.797 4.681 1.00 54.20 C ATOM 1623 CG ASN A 103 8.212 -10.056 6.028 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.715 -10.770 6.879 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.044 -9.436 6.173 1.00 23.31 N ATOM 0 H ASN A 103 10.099 -9.918 2.511 1.00 70.44 H new ATOM 0 HA ASN A 103 10.661 -10.949 5.092 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.416 -8.843 4.712 1.00 54.20 H new ATOM 0 HB3 ASN A 103 8.135 -9.720 3.899 1.00 54.20 H new ATOM 0 HD21 ASN A 103 6.513 -9.545 7.037 1.00 23.31 H new ATOM 0 HD22 ASN A 103 6.680 -8.852 5.420 1.00 23.31 H new ATOM 1632 N GLU A 104 8.118 -12.280 3.407 1.00 23.13 N ATOM 1633 CA GLU A 104 7.296 -13.468 3.258 1.00 54.13 C ATOM 1634 C GLU A 104 8.154 -14.728 3.392 1.00 73.12 C ATOM 1635 O GLU A 104 7.874 -15.588 4.225 1.00 31.02 O ATOM 1636 CB GLU A 104 6.548 -13.454 1.924 1.00 64.13 C ATOM 1637 CG GLU A 104 7.522 -13.539 0.747 1.00 74.30 C ATOM 1638 CD GLU A 104 6.785 -13.409 -0.587 1.00 30.24 C ATOM 1639 OE1 GLU A 104 5.853 -12.600 -0.704 1.00 70.41 O ATOM 1640 OE2 GLU A 104 7.213 -14.186 -1.524 1.00 71.21 O1- ATOM 0 H GLU A 104 7.877 -11.513 2.779 1.00 23.13 H new ATOM 0 HA GLU A 104 6.552 -13.472 4.054 1.00 54.13 H new ATOM 0 HB2 GLU A 104 5.851 -14.291 1.885 1.00 64.13 H new ATOM 0 HB3 GLU A 104 5.956 -12.543 1.845 1.00 64.13 H new ATOM 0 HG2 GLU A 104 8.269 -12.750 0.832 1.00 74.30 H new ATOM 0 HG3 GLU A 104 8.056 -14.489 0.780 1.00 74.30 H new