USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 983 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 61 ASN : amide:sc= 1.51 K(o=2.5,f=-3!) USER MOD Set 1.2: A 84 THR OG1 : rot 25:sc= 1.02 USER MOD Set 2.1: A 15 MET CE :methyl -124:sc= -1.83! (180deg=-2.53!) USER MOD Set 2.2: A 49 SER OG : rot -44:sc= -0.655! USER MOD Set 3.1: A 28 SER OG : rot -150:sc= 0.428 USER MOD Set 3.2: A 35 GLN : amide:sc= -1.16 K(o=-0.78,f=-1.8!) USER MOD Set 3.3: A 70 HIS : no HD1:sc= -0.045 X(o=-0.78,f=-0.94) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0931 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 7 MET CE :methyl 157:sc= -0.209 (180deg=-0.824) USER MOD Single : A 13 CYS SG : rot -50:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00633) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 27 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-4.2!) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0032 (180deg=-0.106) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.507) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 44 SER OG : rot -65:sc= 1.28 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot -151:sc= 1.32 USER MOD Single : A 65 MET CE :methyl 165:sc= -0.048 (180deg=-0.315) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 1.94 (180deg=1.63) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0.795) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 1.6 (180deg=1.38) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 90:sc= 1.11 USER MOD Single : A 105 SER OG : rot 180:sc= -0.308 USER MOD Single : A 106 GLN : amide:sc= -1.33! X(o=-1.3!,f=-0.85) USER MOD Single : A 108 HIS : no HD1:sc= -0.793 X(o=-0.79,f=-1.1) USER MOD Single : A 110 ASN : amide:sc= -0.0683 K(o=-0.068,f=-1.4!) USER MOD Single : A 118 THR OG1 : rot 170:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 123 GLN : amide:sc= -0.829 K(o=-0.83,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0.96 K(o=0.96,f=-5.9!) USER MOD Single : A 127 SER OG : rot -112:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.463 -17.750 -10.689 1.00 11.87 N ATOM 2 CA GLY A 1 -14.684 -17.497 -9.456 1.00 11.28 C ATOM 3 C GLY A 1 -14.204 -16.066 -9.372 1.00 10.17 C ATOM 4 O GLY A 1 -14.618 -15.227 -10.174 1.00 9.93 O ATOM 0 H1 GLY A 1 -16.366 -18.203 -10.442 1.00 11.87 H new ATOM 0 H2 GLY A 1 -15.649 -16.849 -11.173 1.00 11.87 H new ATOM 0 H3 GLY A 1 -14.922 -18.376 -11.319 1.00 11.87 H new ATOM 0 HA2 GLY A 1 -15.299 -17.724 -8.586 1.00 11.28 H new ATOM 0 HA3 GLY A 1 -13.827 -18.169 -9.425 1.00 11.28 H new ATOM 10 N ILE A 2 -13.326 -15.797 -8.402 1.00 9.64 N ATOM 11 CA ILE A 2 -12.785 -14.456 -8.166 1.00 8.69 C ATOM 12 C ILE A 2 -13.855 -13.536 -7.580 1.00 7.70 C ATOM 13 O ILE A 2 -14.819 -13.162 -8.254 1.00 7.79 O ATOM 14 CB ILE A 2 -12.188 -13.823 -9.450 1.00 9.07 C ATOM 15 CG1 ILE A 2 -11.037 -14.687 -9.984 1.00 9.41 C ATOM 16 CG2 ILE A 2 -11.708 -12.403 -9.174 1.00 9.20 C ATOM 17 CD1 ILE A 2 -10.422 -14.165 -11.269 1.00 9.86 C ATOM 0 H ILE A 2 -12.970 -16.503 -7.758 1.00 9.64 H new ATOM 0 HA ILE A 2 -11.973 -14.569 -7.448 1.00 8.69 H new ATOM 0 HB ILE A 2 -12.969 -13.778 -10.209 1.00 9.07 H new ATOM 0 HG12 ILE A 2 -10.261 -14.752 -9.222 1.00 9.41 H new ATOM 0 HG13 ILE A 2 -11.404 -15.699 -10.153 1.00 9.41 H new ATOM 0 HG21 ILE A 2 -11.292 -11.976 -10.087 1.00 9.20 H new ATOM 0 HG22 ILE A 2 -12.547 -11.794 -8.838 1.00 9.20 H new ATOM 0 HG23 ILE A 2 -10.941 -12.422 -8.400 1.00 9.20 H new ATOM 0 HD11 ILE A 2 -9.616 -14.829 -11.583 1.00 9.86 H new ATOM 0 HD12 ILE A 2 -11.184 -14.126 -12.047 1.00 9.86 H new ATOM 0 HD13 ILE A 2 -10.023 -13.165 -11.101 1.00 9.86 H new ATOM 29 N ASP A 3 -13.684 -13.185 -6.316 1.00 6.96 N ATOM 30 CA ASP A 3 -14.630 -12.327 -5.615 1.00 6.18 C ATOM 31 C ASP A 3 -14.288 -10.862 -5.883 1.00 5.44 C ATOM 32 O ASP A 3 -13.116 -10.485 -5.863 1.00 5.15 O ATOM 33 CB ASP A 3 -14.574 -12.630 -4.111 1.00 6.00 C ATOM 34 CG ASP A 3 -15.720 -12.015 -3.329 1.00 6.08 C ATOM 35 OD1 ASP A 3 -16.813 -12.627 -3.286 1.00 6.51 O ATOM 36 OD2 ASP A 3 -15.533 -10.939 -2.736 1.00 6.03 O ATOM 0 H ASP A 3 -12.891 -13.484 -5.748 1.00 6.96 H new ATOM 0 HA ASP A 3 -15.641 -12.519 -5.974 1.00 6.18 H new ATOM 0 HB2 ASP A 3 -14.583 -13.710 -3.965 1.00 6.00 H new ATOM 0 HB3 ASP A 3 -13.630 -12.262 -3.709 1.00 6.00 H new ATOM 41 N PRO A 4 -15.311 -10.029 -6.172 1.00 5.55 N ATOM 42 CA PRO A 4 -15.130 -8.597 -6.482 1.00 5.42 C ATOM 43 C PRO A 4 -14.468 -7.825 -5.344 1.00 4.78 C ATOM 44 O PRO A 4 -13.995 -6.703 -5.529 1.00 4.92 O ATOM 45 CB PRO A 4 -16.559 -8.090 -6.703 1.00 6.21 C ATOM 46 CG PRO A 4 -17.350 -9.307 -7.027 1.00 6.65 C ATOM 47 CD PRO A 4 -16.725 -10.422 -6.240 1.00 6.29 C ATOM 0 HA PRO A 4 -14.473 -8.456 -7.340 1.00 5.42 H new ATOM 0 HB2 PRO A 4 -16.944 -7.594 -5.812 1.00 6.21 H new ATOM 0 HB3 PRO A 4 -16.600 -7.364 -7.515 1.00 6.21 H new ATOM 0 HG2 PRO A 4 -18.398 -9.176 -6.756 1.00 6.65 H new ATOM 0 HG3 PRO A 4 -17.322 -9.519 -8.096 1.00 6.65 H new ATOM 0 HD2 PRO A 4 -17.167 -10.512 -5.248 1.00 6.29 H new ATOM 0 HD3 PRO A 4 -16.853 -11.385 -6.734 1.00 6.29 H new ATOM 55 N PHE A 5 -14.474 -8.423 -4.166 1.00 4.52 N ATOM 56 CA PHE A 5 -13.748 -7.908 -3.030 1.00 4.35 C ATOM 57 C PHE A 5 -13.055 -9.079 -2.347 1.00 3.69 C ATOM 58 O PHE A 5 -12.745 -10.067 -3.011 1.00 3.93 O ATOM 59 CB PHE A 5 -14.687 -7.140 -2.077 1.00 5.29 C ATOM 60 CG PHE A 5 -15.941 -7.875 -1.683 1.00 6.13 C ATOM 61 CD1 PHE A 5 -17.040 -7.900 -2.526 1.00 6.53 C ATOM 62 CD2 PHE A 5 -16.014 -8.551 -0.475 1.00 6.78 C ATOM 63 CE1 PHE A 5 -18.186 -8.586 -2.174 1.00 7.42 C ATOM 64 CE2 PHE A 5 -17.159 -9.236 -0.118 1.00 7.72 C ATOM 65 CZ PHE A 5 -18.263 -9.212 -0.945 1.00 7.99 C ATOM 0 H PHE A 5 -14.987 -9.284 -3.975 1.00 4.52 H new ATOM 0 HA PHE A 5 -12.995 -7.188 -3.350 1.00 4.35 H new ATOM 0 HB2 PHE A 5 -14.133 -6.888 -1.173 1.00 5.29 H new ATOM 0 HB3 PHE A 5 -14.970 -6.200 -2.551 1.00 5.29 H new ATOM 0 HD1 PHE A 5 -17.000 -7.377 -3.470 1.00 6.53 H new ATOM 0 HD2 PHE A 5 -15.166 -8.542 0.194 1.00 6.78 H new ATOM 0 HE1 PHE A 5 -19.020 -8.633 -2.858 1.00 7.42 H new ATOM 0 HE2 PHE A 5 -17.190 -9.790 0.808 1.00 7.72 H new ATOM 0 HZ PHE A 5 -19.184 -9.681 -0.633 1.00 7.99 H new ATOM 75 N THR A 6 -12.810 -8.975 -1.051 1.00 3.31 N ATOM 76 CA THR A 6 -12.169 -10.044 -0.296 1.00 3.02 C ATOM 77 C THR A 6 -10.683 -10.171 -0.646 1.00 2.13 C ATOM 78 O THR A 6 -10.305 -10.226 -1.817 1.00 2.37 O ATOM 79 CB THR A 6 -12.874 -11.394 -0.533 1.00 3.65 C ATOM 80 OG1 THR A 6 -14.289 -11.250 -0.333 1.00 4.26 O ATOM 81 CG2 THR A 6 -12.332 -12.455 0.407 1.00 4.04 C ATOM 0 H THR A 6 -13.047 -8.154 -0.494 1.00 3.31 H new ATOM 0 HA THR A 6 -12.254 -9.780 0.758 1.00 3.02 H new ATOM 0 HB THR A 6 -12.682 -11.706 -1.560 1.00 3.65 H new ATOM 0 HG1 THR A 6 -14.723 -11.057 -1.190 1.00 4.26 H new ATOM 0 HG21 THR A 6 -12.843 -13.400 0.223 1.00 4.04 H new ATOM 0 HG22 THR A 6 -11.263 -12.581 0.235 1.00 4.04 H new ATOM 0 HG23 THR A 6 -12.500 -12.147 1.439 1.00 4.04 H new ATOM 89 N MET A 7 -9.849 -10.194 0.395 1.00 1.53 N ATOM 90 CA MET A 7 -8.397 -10.344 0.253 1.00 1.05 C ATOM 91 C MET A 7 -7.778 -9.135 -0.433 1.00 0.83 C ATOM 92 O MET A 7 -6.612 -9.157 -0.828 1.00 1.39 O ATOM 93 CB MET A 7 -8.046 -11.616 -0.517 1.00 1.50 C ATOM 94 CG MET A 7 -8.432 -12.890 0.210 1.00 2.32 C ATOM 95 SD MET A 7 -7.945 -14.380 -0.685 1.00 3.29 S ATOM 96 CE MET A 7 -6.169 -14.161 -0.767 1.00 3.84 C ATOM 0 H MET A 7 -10.160 -10.109 1.363 1.00 1.53 H new ATOM 0 HA MET A 7 -7.983 -10.419 1.258 1.00 1.05 H new ATOM 0 HB2 MET A 7 -8.546 -11.594 -1.486 1.00 1.50 H new ATOM 0 HB3 MET A 7 -6.974 -11.629 -0.712 1.00 1.50 H new ATOM 0 HG2 MET A 7 -7.967 -12.896 1.196 1.00 2.32 H new ATOM 0 HG3 MET A 7 -9.511 -12.901 0.366 1.00 2.32 H new ATOM 0 HE1 MET A 7 -5.689 -15.130 -0.905 1.00 3.84 H new ATOM 0 HE2 MET A 7 -5.921 -13.511 -1.606 1.00 3.84 H new ATOM 0 HE3 MET A 7 -5.815 -13.709 0.160 1.00 3.84 H new ATOM 106 N LEU A 8 -8.560 -8.078 -0.563 1.00 0.80 N ATOM 107 CA LEU A 8 -8.081 -6.846 -1.156 1.00 0.56 C ATOM 108 C LEU A 8 -7.590 -5.927 -0.057 1.00 0.48 C ATOM 109 O LEU A 8 -8.137 -4.852 0.187 1.00 0.47 O ATOM 110 CB LEU A 8 -9.186 -6.188 -1.974 1.00 0.47 C ATOM 111 CG LEU A 8 -9.796 -7.091 -3.044 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.854 -6.339 -3.821 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.722 -7.611 -3.982 1.00 0.72 C ATOM 0 H LEU A 8 -9.535 -8.050 -0.263 1.00 0.80 H new ATOM 0 HA LEU A 8 -7.254 -7.059 -1.833 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.976 -5.859 -1.299 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -8.785 -5.295 -2.454 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.262 -7.944 -2.551 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.281 -6.993 -4.581 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.640 -6.011 -3.141 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.404 -5.470 -4.302 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.177 -8.252 -4.737 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.227 -6.771 -4.470 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.989 -8.184 -3.414 1.00 0.72 H new ATOM 125 N ARG A 9 -6.548 -6.380 0.606 1.00 0.52 N ATOM 126 CA ARG A 9 -6.021 -5.716 1.773 1.00 0.51 C ATOM 127 C ARG A 9 -4.599 -5.264 1.499 1.00 0.43 C ATOM 128 O ARG A 9 -3.871 -5.919 0.753 1.00 0.47 O ATOM 129 CB ARG A 9 -6.055 -6.671 2.972 1.00 0.69 C ATOM 130 CG ARG A 9 -7.461 -6.982 3.468 1.00 1.15 C ATOM 131 CD ARG A 9 -7.453 -8.109 4.489 1.00 1.21 C ATOM 132 NE ARG A 9 -8.720 -8.210 5.217 1.00 1.84 N ATOM 133 CZ ARG A 9 -9.249 -9.360 5.643 1.00 2.23 C ATOM 134 NH1 ARG A 9 -8.685 -10.522 5.334 1.00 2.21 N ATOM 135 NH2 ARG A 9 -10.357 -9.345 6.370 1.00 3.09 N ATOM 0 H ARG A 9 -6.041 -7.226 0.346 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.632 -4.843 2.004 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -5.562 -7.603 2.697 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -5.479 -6.235 3.789 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -7.897 -6.088 3.914 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -8.093 -7.258 2.624 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -7.251 -9.053 3.983 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -6.641 -7.948 5.198 1.00 1.21 H new ATOM 0 HE ARG A 9 -9.230 -7.348 5.411 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -7.838 -10.543 4.765 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -9.098 -11.394 5.665 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -10.803 -8.457 6.602 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -10.764 -10.221 6.697 1.00 3.09 H new ATOM 149 N PRO A 10 -4.195 -4.129 2.077 1.00 0.36 N ATOM 150 CA PRO A 10 -2.843 -3.611 1.918 1.00 0.30 C ATOM 151 C PRO A 10 -1.828 -4.523 2.588 1.00 0.28 C ATOM 152 O PRO A 10 -2.174 -5.318 3.461 1.00 0.38 O ATOM 153 CB PRO A 10 -2.896 -2.249 2.618 1.00 0.29 C ATOM 154 CG PRO A 10 -4.005 -2.379 3.598 1.00 0.47 C ATOM 155 CD PRO A 10 -5.014 -3.277 2.947 1.00 0.40 C ATOM 0 HA PRO A 10 -2.537 -3.542 0.874 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.953 -2.020 3.114 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -3.086 -1.444 1.908 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.651 -2.803 4.537 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.438 -1.406 3.831 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.564 -3.864 3.683 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.750 -2.709 2.377 1.00 0.40 H new ATOM 163 N ARG A 11 -0.586 -4.413 2.173 1.00 0.29 N ATOM 164 CA ARG A 11 0.473 -5.227 2.741 1.00 0.34 C ATOM 165 C ARG A 11 1.477 -4.349 3.479 1.00 0.27 C ATOM 166 O ARG A 11 1.956 -3.345 2.942 1.00 0.27 O ATOM 167 CB ARG A 11 1.157 -6.062 1.642 1.00 0.49 C ATOM 168 CG ARG A 11 1.538 -5.260 0.402 1.00 0.63 C ATOM 169 CD ARG A 11 2.199 -6.122 -0.670 1.00 1.00 C ATOM 170 NE ARG A 11 1.294 -7.136 -1.224 1.00 1.22 N ATOM 171 CZ ARG A 11 0.950 -7.210 -2.517 1.00 1.59 C ATOM 172 NH1 ARG A 11 1.379 -6.304 -3.384 1.00 1.95 N ATOM 173 NH2 ARG A 11 0.161 -8.188 -2.944 1.00 2.37 N ATOM 0 H ARG A 11 -0.281 -3.768 1.444 1.00 0.29 H new ATOM 0 HA ARG A 11 0.039 -5.919 3.463 1.00 0.34 H new ATOM 0 HB2 ARG A 11 2.055 -6.522 2.055 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.490 -6.872 1.348 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.645 -4.791 -0.012 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.217 -4.456 0.687 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.556 -5.481 -1.476 1.00 1.00 H new ATOM 0 HD3 ARG A 11 3.073 -6.615 -0.245 1.00 1.00 H new ATOM 0 HE ARG A 11 0.902 -7.828 -0.585 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.977 -5.540 -3.069 1.00 1.95 H new ATOM 0 HH12 ARG A 11 1.111 -6.370 -4.366 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -0.186 -8.887 -2.287 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -0.098 -8.241 -3.929 1.00 2.37 H new ATOM 187 N LEU A 12 1.780 -4.723 4.718 1.00 0.29 N ATOM 188 CA LEU A 12 2.743 -3.987 5.528 1.00 0.26 C ATOM 189 C LEU A 12 4.102 -4.649 5.422 1.00 0.25 C ATOM 190 O LEU A 12 4.307 -5.752 5.931 1.00 0.32 O ATOM 191 CB LEU A 12 2.321 -3.948 7.005 1.00 0.34 C ATOM 192 CG LEU A 12 2.161 -2.551 7.631 1.00 0.60 C ATOM 193 CD1 LEU A 12 2.100 -2.656 9.148 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.289 -1.618 7.221 1.00 1.28 C ATOM 0 H LEU A 12 1.371 -5.533 5.183 1.00 0.29 H new ATOM 0 HA LEU A 12 2.786 -2.964 5.153 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.374 -4.478 7.104 1.00 0.34 H new ATOM 0 HB3 LEU A 12 3.059 -4.501 7.586 1.00 0.34 H new ATOM 0 HG LEU A 12 1.227 -2.130 7.260 1.00 0.60 H new ATOM 0 HD11 LEU A 12 1.987 -1.661 9.577 1.00 1.32 H new ATOM 0 HD12 LEU A 12 1.250 -3.274 9.436 1.00 1.32 H new ATOM 0 HD13 LEU A 12 3.020 -3.109 9.519 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.140 -0.642 7.683 1.00 1.28 H new ATOM 0 HD22 LEU A 12 4.242 -2.033 7.549 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.295 -1.509 6.137 1.00 1.28 H new ATOM 206 N CYS A 13 5.024 -3.981 4.769 1.00 0.23 N ATOM 207 CA CYS A 13 6.357 -4.510 4.606 1.00 0.25 C ATOM 208 C CYS A 13 7.253 -3.982 5.716 1.00 0.22 C ATOM 209 O CYS A 13 7.487 -2.778 5.816 1.00 0.24 O ATOM 210 CB CYS A 13 6.909 -4.101 3.241 1.00 0.29 C ATOM 211 SG CYS A 13 5.767 -4.398 1.872 1.00 0.40 S ATOM 0 H CYS A 13 4.874 -3.067 4.341 1.00 0.23 H new ATOM 0 HA CYS A 13 6.327 -5.598 4.662 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.164 -3.042 3.266 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.834 -4.647 3.055 1.00 0.29 H new ATOM 0 HG CYS A 13 5.322 -5.618 1.935 1.00 0.40 H new ATOM 217 N THR A 14 7.744 -4.879 6.551 1.00 0.23 N ATOM 218 CA THR A 14 8.640 -4.494 7.625 1.00 0.24 C ATOM 219 C THR A 14 10.037 -4.986 7.292 1.00 0.22 C ATOM 220 O THR A 14 10.269 -6.193 7.192 1.00 0.25 O ATOM 221 CB THR A 14 8.182 -5.092 8.971 1.00 0.31 C ATOM 222 OG1 THR A 14 6.796 -4.788 9.190 1.00 0.35 O ATOM 223 CG2 THR A 14 9.009 -4.544 10.124 1.00 0.35 C ATOM 0 H THR A 14 7.538 -5.877 6.506 1.00 0.23 H new ATOM 0 HA THR A 14 8.634 -3.408 7.722 1.00 0.24 H new ATOM 0 HB THR A 14 8.322 -6.172 8.928 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.508 -5.171 10.045 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.664 -4.983 11.060 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.059 -4.795 9.971 1.00 0.35 H new ATOM 0 HG23 THR A 14 8.898 -3.461 10.169 1.00 0.35 H new ATOM 231 N MET A 15 10.967 -4.064 7.126 1.00 0.20 N ATOM 232 CA MET A 15 12.288 -4.415 6.643 1.00 0.19 C ATOM 233 C MET A 15 13.370 -3.756 7.477 1.00 0.21 C ATOM 234 O MET A 15 13.302 -2.567 7.782 1.00 0.21 O ATOM 235 CB MET A 15 12.436 -4.017 5.173 1.00 0.21 C ATOM 236 CG MET A 15 12.250 -2.530 4.919 1.00 0.24 C ATOM 237 SD MET A 15 12.374 -2.095 3.176 1.00 0.88 S ATOM 238 CE MET A 15 10.852 -2.802 2.549 1.00 0.28 C ATOM 0 H MET A 15 10.833 -3.071 7.318 1.00 0.20 H new ATOM 0 HA MET A 15 12.405 -5.495 6.733 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.424 -4.315 4.823 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.708 -4.571 4.581 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.275 -2.221 5.297 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.000 -1.974 5.481 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.079 -3.495 1.739 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.341 -3.335 3.351 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.208 -2.006 2.175 1.00 0.28 H new ATOM 248 N LYS A 16 14.361 -4.545 7.836 1.00 0.29 N ATOM 249 CA LYS A 16 15.465 -4.081 8.655 1.00 0.37 C ATOM 250 C LYS A 16 16.718 -3.946 7.809 1.00 0.40 C ATOM 251 O LYS A 16 16.963 -4.757 6.914 1.00 0.48 O ATOM 252 CB LYS A 16 15.694 -5.068 9.799 1.00 0.50 C ATOM 253 CG LYS A 16 16.765 -4.646 10.793 1.00 0.90 C ATOM 254 CD LYS A 16 17.016 -5.738 11.820 1.00 1.09 C ATOM 255 CE LYS A 16 15.733 -6.131 12.537 1.00 1.96 C ATOM 256 NZ LYS A 16 15.213 -5.039 13.397 1.00 2.58 N ATOM 0 H LYS A 16 14.425 -5.527 7.569 1.00 0.29 H new ATOM 0 HA LYS A 16 15.226 -3.103 9.072 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.755 -5.208 10.334 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.968 -6.035 9.378 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.690 -4.421 10.262 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.457 -3.731 11.298 1.00 0.90 H new ATOM 0 HD2 LYS A 16 17.442 -6.612 11.327 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.750 -5.393 12.548 1.00 1.09 H new ATOM 0 HE2 LYS A 16 14.976 -6.403 11.801 1.00 1.96 H new ATOM 0 HE3 LYS A 16 15.916 -7.015 13.147 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 14.358 -5.364 13.891 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 15.936 -4.773 14.095 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 14.980 -4.214 12.808 1.00 2.58 H new ATOM 270 N LYS A 17 17.486 -2.903 8.083 1.00 0.41 N ATOM 271 CA LYS A 17 18.729 -2.654 7.375 1.00 0.50 C ATOM 272 C LYS A 17 19.701 -3.804 7.542 1.00 0.60 C ATOM 273 O LYS A 17 20.270 -4.011 8.612 1.00 0.67 O ATOM 274 CB LYS A 17 19.363 -1.357 7.854 1.00 0.51 C ATOM 275 CG LYS A 17 18.871 -0.142 7.100 1.00 0.52 C ATOM 276 CD LYS A 17 19.318 1.143 7.776 1.00 0.53 C ATOM 277 CE LYS A 17 18.655 2.368 7.155 1.00 0.62 C ATOM 278 NZ LYS A 17 19.265 2.743 5.851 1.00 0.92 N ATOM 0 H LYS A 17 17.266 -2.210 8.798 1.00 0.41 H new ATOM 0 HA LYS A 17 18.494 -2.564 6.315 1.00 0.50 H new ATOM 0 HB2 LYS A 17 19.153 -1.228 8.916 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.446 -1.428 7.749 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.248 -0.168 6.078 1.00 0.52 H new ATOM 0 HG3 LYS A 17 17.783 -0.165 7.039 1.00 0.52 H new ATOM 0 HD2 LYS A 17 19.077 1.098 8.838 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.401 1.237 7.699 1.00 0.53 H new ATOM 0 HE2 LYS A 17 17.593 2.170 7.012 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.733 3.209 7.845 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.781 3.580 5.469 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.273 2.959 5.989 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.168 1.952 5.182 1.00 0.92 H new ATOM 292 N GLY A 18 19.873 -4.547 6.466 1.00 0.68 N ATOM 293 CA GLY A 18 20.759 -5.690 6.482 1.00 0.85 C ATOM 294 C GLY A 18 22.067 -5.415 5.771 1.00 1.05 C ATOM 295 O GLY A 18 22.801 -4.506 6.156 1.00 1.28 O ATOM 0 H GLY A 18 19.411 -4.379 5.572 1.00 0.68 H new ATOM 0 HA2 GLY A 18 20.962 -5.974 7.514 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.263 -6.538 6.010 1.00 0.85 H new ATOM 299 N PRO A 19 22.372 -6.182 4.711 1.00 1.24 N ATOM 300 CA PRO A 19 23.636 -6.065 3.975 1.00 1.57 C ATOM 301 C PRO A 19 23.876 -4.665 3.418 1.00 1.57 C ATOM 302 O PRO A 19 24.880 -4.023 3.736 1.00 2.23 O ATOM 303 CB PRO A 19 23.482 -7.069 2.826 1.00 1.91 C ATOM 304 CG PRO A 19 22.451 -8.033 3.296 1.00 1.86 C ATOM 305 CD PRO A 19 21.509 -7.241 4.158 1.00 1.40 C ATOM 0 HA PRO A 19 24.489 -6.259 4.625 1.00 1.57 H new ATOM 0 HB2 PRO A 19 23.169 -6.573 1.907 1.00 1.91 H new ATOM 0 HB3 PRO A 19 24.425 -7.572 2.612 1.00 1.91 H new ATOM 0 HG2 PRO A 19 21.925 -8.484 2.454 1.00 1.86 H new ATOM 0 HG3 PRO A 19 22.906 -8.847 3.860 1.00 1.86 H new ATOM 0 HD2 PRO A 19 20.684 -6.827 3.578 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.070 -7.855 4.944 1.00 1.40 H new ATOM 313 N SER A 20 22.953 -4.186 2.596 1.00 1.40 N ATOM 314 CA SER A 20 23.124 -2.898 1.944 1.00 1.65 C ATOM 315 C SER A 20 21.989 -1.943 2.292 1.00 1.43 C ATOM 316 O SER A 20 21.556 -1.153 1.451 1.00 1.93 O ATOM 317 CB SER A 20 23.191 -3.091 0.430 1.00 2.14 C ATOM 318 OG SER A 20 24.057 -4.163 0.090 1.00 2.87 O ATOM 0 H SER A 20 22.084 -4.667 2.366 1.00 1.40 H new ATOM 0 HA SER A 20 24.056 -2.459 2.301 1.00 1.65 H new ATOM 0 HB2 SER A 20 22.192 -3.289 0.041 1.00 2.14 H new ATOM 0 HB3 SER A 20 23.541 -2.173 -0.042 1.00 2.14 H new ATOM 0 HG SER A 20 24.081 -4.267 -0.884 1.00 2.87 H new ATOM 324 N GLY A 21 21.515 -2.019 3.538 1.00 1.04 N ATOM 325 CA GLY A 21 20.417 -1.177 3.979 1.00 0.94 C ATOM 326 C GLY A 21 19.186 -1.314 3.105 1.00 0.97 C ATOM 327 O GLY A 21 18.977 -0.510 2.200 1.00 1.93 O ATOM 0 H GLY A 21 21.876 -2.653 4.250 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.158 -1.433 5.006 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.741 -0.136 3.982 1.00 0.94 H new ATOM 331 N TYR A 22 18.369 -2.326 3.396 1.00 0.74 N ATOM 332 CA TYR A 22 17.168 -2.622 2.609 1.00 0.70 C ATOM 333 C TYR A 22 17.569 -3.099 1.210 1.00 0.89 C ATOM 334 O TYR A 22 18.615 -3.730 1.045 1.00 1.82 O ATOM 335 CB TYR A 22 16.246 -1.394 2.510 1.00 0.64 C ATOM 336 CG TYR A 22 15.998 -0.683 3.826 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.728 -1.389 4.993 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.035 0.704 3.892 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.501 -0.729 6.185 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.809 1.368 5.079 1.00 0.54 C ATOM 341 CZ TYR A 22 15.545 0.649 6.222 1.00 0.46 C ATOM 342 OH TYR A 22 15.329 1.308 7.407 1.00 0.59 O ATOM 0 H TYR A 22 18.518 -2.962 4.179 1.00 0.74 H new ATOM 0 HA TYR A 22 16.615 -3.413 3.116 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.681 -0.685 1.806 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.288 -1.708 2.096 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.695 -2.468 4.967 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.244 1.272 2.998 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.290 -1.289 7.084 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.839 2.447 5.111 1.00 0.54 H new ATOM 0 HH TYR A 22 15.396 2.275 7.261 1.00 0.59 H new ATOM 352 N GLY A 23 16.736 -2.818 0.216 1.00 0.43 N ATOM 353 CA GLY A 23 17.054 -3.214 -1.141 1.00 0.42 C ATOM 354 C GLY A 23 15.873 -3.073 -2.078 1.00 0.39 C ATOM 355 O GLY A 23 15.269 -4.068 -2.481 1.00 0.39 O ATOM 0 H GLY A 23 15.850 -2.325 0.325 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.880 -2.606 -1.509 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.394 -4.250 -1.144 1.00 0.42 H new ATOM 359 N PHE A 24 15.537 -1.838 -2.423 1.00 0.37 N ATOM 360 CA PHE A 24 14.427 -1.574 -3.327 1.00 0.36 C ATOM 361 C PHE A 24 14.644 -0.263 -4.071 1.00 0.38 C ATOM 362 O PHE A 24 15.410 0.593 -3.631 1.00 0.40 O ATOM 363 CB PHE A 24 13.094 -1.536 -2.565 1.00 0.34 C ATOM 364 CG PHE A 24 13.005 -0.449 -1.527 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.511 -0.645 -0.252 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.411 0.767 -1.826 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.431 0.351 0.702 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.327 1.766 -0.876 1.00 0.36 C ATOM 369 CZ PHE A 24 12.837 1.558 0.390 1.00 0.36 C ATOM 0 H PHE A 24 16.018 -1.002 -2.090 1.00 0.37 H new ATOM 0 HA PHE A 24 14.384 -2.387 -4.052 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.283 -1.406 -3.281 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.939 -2.500 -2.080 1.00 0.34 H new ATOM 0 HD1 PHE A 24 13.974 -1.588 -0.001 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.009 0.935 -2.814 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.833 0.186 1.691 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.863 2.709 -1.123 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.772 2.337 1.135 1.00 0.36 H new ATOM 379 N ASN A 25 13.967 -0.121 -5.197 1.00 0.43 N ATOM 380 CA ASN A 25 14.066 1.079 -6.011 1.00 0.46 C ATOM 381 C ASN A 25 12.730 1.806 -6.011 1.00 0.42 C ATOM 382 O ASN A 25 11.680 1.187 -6.201 1.00 0.39 O ATOM 383 CB ASN A 25 14.471 0.729 -7.448 1.00 0.51 C ATOM 384 CG ASN A 25 15.736 -0.105 -7.518 1.00 1.23 C ATOM 385 OD1 ASN A 25 15.678 -1.335 -7.499 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.884 0.550 -7.601 1.00 1.65 N ATOM 0 H ASN A 25 13.336 -0.830 -5.572 1.00 0.43 H new ATOM 0 HA ASN A 25 14.833 1.727 -5.587 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.657 0.186 -7.928 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.617 1.649 -8.013 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.763 0.035 -7.652 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.889 1.570 -7.614 1.00 1.65 H new ATOM 393 N LEU A 26 12.768 3.110 -5.803 1.00 0.50 N ATOM 394 CA LEU A 26 11.552 3.903 -5.695 1.00 0.52 C ATOM 395 C LEU A 26 11.395 4.789 -6.927 1.00 0.55 C ATOM 396 O LEU A 26 12.324 5.500 -7.315 1.00 0.73 O ATOM 397 CB LEU A 26 11.600 4.746 -4.403 1.00 0.69 C ATOM 398 CG LEU A 26 10.285 5.415 -3.962 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.986 6.655 -4.792 1.00 1.52 C ATOM 400 CD2 LEU A 26 9.131 4.426 -4.043 1.00 1.48 C ATOM 0 H LEU A 26 13.630 3.646 -5.705 1.00 0.50 H new ATOM 0 HA LEU A 26 10.686 3.243 -5.644 1.00 0.52 H new ATOM 0 HB2 LEU A 26 11.944 4.105 -3.591 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.351 5.525 -4.533 1.00 0.69 H new ATOM 0 HG LEU A 26 10.403 5.731 -2.925 1.00 0.87 H new ATOM 0 HD11 LEU A 26 9.051 7.102 -4.454 1.00 1.52 H new ATOM 0 HD12 LEU A 26 10.796 7.375 -4.675 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.897 6.377 -5.842 1.00 1.52 H new ATOM 0 HD21 LEU A 26 8.210 4.915 -3.728 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.023 4.076 -5.070 1.00 1.48 H new ATOM 0 HD23 LEU A 26 9.333 3.577 -3.390 1.00 1.48 H new ATOM 412 N HIS A 27 10.222 4.746 -7.545 1.00 0.56 N ATOM 413 CA HIS A 27 9.961 5.575 -8.708 1.00 0.67 C ATOM 414 C HIS A 27 8.727 6.437 -8.476 1.00 0.68 C ATOM 415 O HIS A 27 7.740 5.990 -7.898 1.00 0.95 O ATOM 416 CB HIS A 27 9.833 4.713 -9.981 1.00 1.23 C ATOM 417 CG HIS A 27 8.449 4.540 -10.533 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.823 5.494 -11.311 1.00 0.97 N ATOM 419 CD2 HIS A 27 7.587 3.505 -10.446 1.00 0.81 C ATOM 420 CE1 HIS A 27 6.634 5.052 -11.672 1.00 1.30 C ATOM 421 NE2 HIS A 27 6.467 3.849 -11.161 1.00 1.34 N ATOM 0 H HIS A 27 9.444 4.150 -7.262 1.00 0.56 H new ATOM 0 HA HIS A 27 10.808 6.244 -8.860 1.00 0.67 H new ATOM 0 HB2 HIS A 27 10.458 5.155 -10.757 1.00 1.23 H new ATOM 0 HB3 HIS A 27 10.242 3.725 -9.767 1.00 1.23 H new ATOM 0 HD2 HIS A 27 7.748 2.579 -9.913 1.00 0.81 H new ATOM 0 HE1 HIS A 27 5.920 5.585 -12.282 1.00 1.30 H new ATOM 0 HE2 HIS A 27 5.638 3.266 -11.278 1.00 1.34 H new ATOM 430 N SER A 28 8.795 7.673 -8.923 1.00 0.75 N ATOM 431 CA SER A 28 7.706 8.607 -8.733 1.00 1.14 C ATOM 432 C SER A 28 7.293 9.206 -10.069 1.00 1.03 C ATOM 433 O SER A 28 8.135 9.450 -10.935 1.00 1.34 O ATOM 434 CB SER A 28 8.139 9.715 -7.765 1.00 1.74 C ATOM 435 OG SER A 28 7.059 10.569 -7.421 1.00 2.30 O ATOM 0 H SER A 28 9.597 8.056 -9.423 1.00 0.75 H new ATOM 0 HA SER A 28 6.851 8.080 -8.309 1.00 1.14 H new ATOM 0 HB2 SER A 28 8.550 9.267 -6.860 1.00 1.74 H new ATOM 0 HB3 SER A 28 8.936 10.303 -8.220 1.00 1.74 H new ATOM 0 HG SER A 28 7.400 11.468 -7.232 1.00 2.30 H new ATOM 441 N ASP A 29 6.000 9.413 -10.241 1.00 1.23 N ATOM 442 CA ASP A 29 5.489 10.079 -11.428 1.00 1.54 C ATOM 443 C ASP A 29 5.380 11.572 -11.141 1.00 1.63 C ATOM 444 O ASP A 29 5.030 11.967 -10.028 1.00 1.73 O ATOM 445 CB ASP A 29 4.126 9.502 -11.826 1.00 2.09 C ATOM 446 CG ASP A 29 3.723 9.857 -13.246 1.00 2.87 C ATOM 447 OD1 ASP A 29 3.560 11.060 -13.535 1.00 3.48 O ATOM 448 OD2 ASP A 29 3.579 8.946 -14.087 1.00 3.19 O ATOM 0 H ASP A 29 5.283 9.130 -9.573 1.00 1.23 H new ATOM 0 HA ASP A 29 6.171 9.917 -12.262 1.00 1.54 H new ATOM 0 HB2 ASP A 29 4.153 8.417 -11.722 1.00 2.09 H new ATOM 0 HB3 ASP A 29 3.367 9.870 -11.136 1.00 2.09 H new ATOM 453 N LYS A 30 5.709 12.394 -12.125 1.00 1.90 N ATOM 454 CA LYS A 30 5.744 13.838 -11.929 1.00 2.10 C ATOM 455 C LYS A 30 4.472 14.491 -12.457 1.00 2.35 C ATOM 456 O LYS A 30 4.229 15.675 -12.226 1.00 2.78 O ATOM 457 CB LYS A 30 6.972 14.454 -12.612 1.00 2.29 C ATOM 458 CG LYS A 30 8.300 14.164 -11.917 1.00 2.65 C ATOM 459 CD LYS A 30 8.691 12.694 -12.005 1.00 3.12 C ATOM 460 CE LYS A 30 10.050 12.429 -11.372 1.00 3.99 C ATOM 461 NZ LYS A 30 11.158 13.063 -12.136 1.00 4.54 N ATOM 0 H LYS A 30 5.955 12.088 -13.066 1.00 1.90 H new ATOM 0 HA LYS A 30 5.811 14.024 -10.857 1.00 2.10 H new ATOM 0 HB2 LYS A 30 7.025 14.084 -13.636 1.00 2.29 H new ATOM 0 HB3 LYS A 30 6.836 15.534 -12.669 1.00 2.29 H new ATOM 0 HG2 LYS A 30 9.084 14.773 -12.367 1.00 2.65 H new ATOM 0 HG3 LYS A 30 8.231 14.457 -10.869 1.00 2.65 H new ATOM 0 HD2 LYS A 30 7.934 12.087 -11.508 1.00 3.12 H new ATOM 0 HD3 LYS A 30 8.711 12.386 -13.050 1.00 3.12 H new ATOM 0 HE2 LYS A 30 10.053 12.807 -10.350 1.00 3.99 H new ATOM 0 HE3 LYS A 30 10.219 11.354 -11.315 1.00 3.99 H new ATOM 0 HZ1 LYS A 30 12.070 12.721 -11.773 1.00 4.54 H new ATOM 0 HZ2 LYS A 30 11.071 12.816 -13.143 1.00 4.54 H new ATOM 0 HZ3 LYS A 30 11.108 14.096 -12.027 1.00 4.54 H new ATOM 475 N SER A 31 3.665 13.715 -13.165 1.00 2.29 N ATOM 476 CA SER A 31 2.411 14.210 -13.709 1.00 2.61 C ATOM 477 C SER A 31 1.272 13.820 -12.776 1.00 2.43 C ATOM 478 O SER A 31 0.396 14.632 -12.464 1.00 2.50 O ATOM 479 CB SER A 31 2.181 13.642 -15.114 1.00 2.93 C ATOM 480 OG SER A 31 1.106 14.293 -15.770 1.00 3.49 O ATOM 0 H SER A 31 3.858 12.736 -13.376 1.00 2.29 H new ATOM 0 HA SER A 31 2.451 15.296 -13.788 1.00 2.61 H new ATOM 0 HB2 SER A 31 3.090 13.753 -15.705 1.00 2.93 H new ATOM 0 HB3 SER A 31 1.974 12.574 -15.046 1.00 2.93 H new ATOM 0 HG SER A 31 0.987 13.908 -16.663 1.00 3.49 H new ATOM 486 N LYS A 32 1.302 12.576 -12.317 1.00 2.27 N ATOM 487 CA LYS A 32 0.327 12.092 -11.354 1.00 2.14 C ATOM 488 C LYS A 32 1.030 11.696 -10.057 1.00 1.84 C ATOM 489 O LYS A 32 1.838 10.769 -10.038 1.00 1.68 O ATOM 490 CB LYS A 32 -0.473 10.910 -11.924 1.00 2.21 C ATOM 491 CG LYS A 32 0.385 9.776 -12.465 1.00 2.25 C ATOM 492 CD LYS A 32 -0.464 8.601 -12.919 1.00 2.41 C ATOM 493 CE LYS A 32 0.386 7.488 -13.514 1.00 2.93 C ATOM 494 NZ LYS A 32 1.151 7.948 -14.705 1.00 3.00 N ATOM 0 H LYS A 32 1.995 11.883 -12.599 1.00 2.27 H new ATOM 0 HA LYS A 32 -0.378 12.895 -11.141 1.00 2.14 H new ATOM 0 HB2 LYS A 32 -1.124 10.517 -11.143 1.00 2.21 H new ATOM 0 HB3 LYS A 32 -1.118 11.275 -12.723 1.00 2.21 H new ATOM 0 HG2 LYS A 32 0.983 10.138 -13.301 1.00 2.25 H new ATOM 0 HG3 LYS A 32 1.082 9.446 -11.694 1.00 2.25 H new ATOM 0 HD2 LYS A 32 -1.031 8.213 -12.072 1.00 2.41 H new ATOM 0 HD3 LYS A 32 -1.189 8.940 -13.659 1.00 2.41 H new ATOM 0 HE2 LYS A 32 1.079 7.118 -12.759 1.00 2.93 H new ATOM 0 HE3 LYS A 32 -0.255 6.653 -13.795 1.00 2.93 H new ATOM 0 HZ1 LYS A 32 1.306 7.146 -15.349 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 0.613 8.689 -15.198 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 2.069 8.331 -14.401 1.00 3.00 H new ATOM 508 N PRO A 33 0.754 12.421 -8.962 1.00 1.87 N ATOM 509 CA PRO A 33 1.381 12.172 -7.660 1.00 1.71 C ATOM 510 C PRO A 33 1.198 10.746 -7.171 1.00 1.40 C ATOM 511 O PRO A 33 0.122 10.152 -7.294 1.00 1.40 O ATOM 512 CB PRO A 33 0.667 13.139 -6.725 1.00 1.97 C ATOM 513 CG PRO A 33 0.212 14.228 -7.618 1.00 2.24 C ATOM 514 CD PRO A 33 -0.180 13.555 -8.902 1.00 2.19 C ATOM 0 HA PRO A 33 2.460 12.314 -7.711 1.00 1.71 H new ATOM 0 HB2 PRO A 33 -0.172 12.660 -6.220 1.00 1.97 H new ATOM 0 HB3 PRO A 33 1.336 13.512 -5.949 1.00 1.97 H new ATOM 0 HG2 PRO A 33 -0.631 14.766 -7.183 1.00 2.24 H new ATOM 0 HG3 PRO A 33 1.005 14.957 -7.783 1.00 2.24 H new ATOM 0 HD2 PRO A 33 -1.219 13.225 -8.887 1.00 2.19 H new ATOM 0 HD3 PRO A 33 -0.068 14.219 -9.759 1.00 2.19 H new ATOM 522 N GLY A 34 2.253 10.229 -6.586 1.00 1.29 N ATOM 523 CA GLY A 34 2.258 8.860 -6.119 1.00 1.05 C ATOM 524 C GLY A 34 3.612 8.209 -6.280 1.00 0.85 C ATOM 525 O GLY A 34 4.271 8.365 -7.313 1.00 0.88 O ATOM 0 H GLY A 34 3.122 10.737 -6.421 1.00 1.29 H new ATOM 0 HA2 GLY A 34 1.967 8.835 -5.069 1.00 1.05 H new ATOM 0 HA3 GLY A 34 1.513 8.287 -6.670 1.00 1.05 H new ATOM 529 N GLN A 35 4.044 7.502 -5.249 1.00 0.74 N ATOM 530 CA GLN A 35 5.311 6.790 -5.286 1.00 0.59 C ATOM 531 C GLN A 35 5.064 5.312 -5.543 1.00 0.52 C ATOM 532 O GLN A 35 4.264 4.680 -4.851 1.00 0.58 O ATOM 533 CB GLN A 35 6.077 6.969 -3.970 1.00 0.58 C ATOM 534 CG GLN A 35 6.795 8.307 -3.824 1.00 0.82 C ATOM 535 CD GLN A 35 5.863 9.506 -3.820 1.00 0.75 C ATOM 536 OE1 GLN A 35 5.340 9.901 -2.781 1.00 1.50 O ATOM 537 NE2 GLN A 35 5.672 10.113 -4.978 1.00 0.78 N ATOM 0 H GLN A 35 3.533 7.406 -4.372 1.00 0.74 H new ATOM 0 HA GLN A 35 5.915 7.203 -6.094 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.378 6.855 -3.141 1.00 0.58 H new ATOM 0 HB3 GLN A 35 6.810 6.168 -3.881 1.00 0.58 H new ATOM 0 HG2 GLN A 35 7.369 8.302 -2.897 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.509 8.416 -4.640 1.00 0.82 H new ATOM 0 HE21 GLN A 35 6.123 9.757 -5.821 1.00 0.78 H new ATOM 0 HE22 GLN A 35 5.074 10.938 -5.029 1.00 0.78 H new ATOM 546 N PHE A 36 5.749 4.763 -6.534 1.00 0.47 N ATOM 547 CA PHE A 36 5.561 3.370 -6.902 1.00 0.43 C ATOM 548 C PHE A 36 6.882 2.625 -6.802 1.00 0.39 C ATOM 549 O PHE A 36 7.937 3.173 -7.128 1.00 0.45 O ATOM 550 CB PHE A 36 5.025 3.254 -8.334 1.00 0.48 C ATOM 551 CG PHE A 36 3.773 4.039 -8.610 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.844 5.368 -8.999 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.528 3.444 -8.500 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.698 6.089 -9.268 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.376 4.161 -8.767 1.00 0.81 C ATOM 556 CZ PHE A 36 1.461 5.485 -9.152 1.00 0.87 C ATOM 0 H PHE A 36 6.439 5.261 -7.097 1.00 0.47 H new ATOM 0 HA PHE A 36 4.837 2.931 -6.216 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.802 3.583 -9.024 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.832 2.203 -8.549 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.808 5.845 -9.093 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.455 2.408 -8.202 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.768 7.124 -9.569 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.410 3.686 -8.675 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.563 6.046 -9.362 1.00 0.87 H new ATOM 566 N ILE A 37 6.825 1.386 -6.348 1.00 0.36 N ATOM 567 CA ILE A 37 8.015 0.560 -6.246 1.00 0.33 C ATOM 568 C ILE A 37 8.476 0.135 -7.635 1.00 0.33 C ATOM 569 O ILE A 37 7.825 -0.671 -8.306 1.00 0.38 O ATOM 570 CB ILE A 37 7.770 -0.688 -5.371 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.218 -0.278 -4.002 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.056 -1.490 -5.209 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.141 0.625 -3.209 1.00 0.38 C ATOM 0 H ILE A 37 5.966 0.929 -6.043 1.00 0.36 H new ATOM 0 HA ILE A 37 8.792 1.157 -5.769 1.00 0.33 H new ATOM 0 HB ILE A 37 7.033 -1.319 -5.868 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.264 0.230 -4.144 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.017 -1.177 -3.419 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.863 -2.366 -4.589 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.411 -1.810 -6.189 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.815 -0.869 -4.733 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.678 0.870 -2.253 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.088 0.114 -3.033 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.323 1.542 -3.769 1.00 0.38 H new ATOM 585 N ARG A 38 9.600 0.702 -8.057 1.00 0.34 N ATOM 586 CA ARG A 38 10.170 0.434 -9.369 1.00 0.41 C ATOM 587 C ARG A 38 10.642 -1.006 -9.452 1.00 0.40 C ATOM 588 O ARG A 38 10.419 -1.690 -10.449 1.00 0.49 O ATOM 589 CB ARG A 38 11.340 1.390 -9.626 1.00 0.50 C ATOM 590 CG ARG A 38 12.119 1.111 -10.906 1.00 0.67 C ATOM 591 CD ARG A 38 11.246 1.218 -12.148 1.00 1.24 C ATOM 592 NE ARG A 38 12.043 1.185 -13.372 1.00 1.56 N ATOM 593 CZ ARG A 38 11.532 1.105 -14.597 1.00 2.17 C ATOM 594 NH1 ARG A 38 10.229 0.917 -14.769 1.00 2.83 N ATOM 595 NH2 ARG A 38 12.334 1.185 -15.649 1.00 2.62 N ATOM 0 H ARG A 38 10.141 1.361 -7.498 1.00 0.34 H new ATOM 0 HA ARG A 38 9.405 0.592 -10.130 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.957 2.410 -9.665 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.026 1.339 -8.780 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.948 1.815 -10.985 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.553 0.112 -10.854 1.00 0.67 H new ATOM 0 HD2 ARG A 38 10.527 0.399 -12.159 1.00 1.24 H new ATOM 0 HD3 ARG A 38 10.673 2.144 -12.112 1.00 1.24 H new ATOM 0 HE ARG A 38 13.058 1.226 -13.281 1.00 1.56 H new ATOM 0 HH11 ARG A 38 9.615 0.833 -13.959 1.00 2.83 H new ATOM 0 HH12 ARG A 38 9.842 0.856 -15.711 1.00 2.83 H new ATOM 0 HH21 ARG A 38 13.338 1.307 -15.517 1.00 2.62 H new ATOM 0 HH22 ARG A 38 11.947 1.124 -16.591 1.00 2.62 H new ATOM 609 N SER A 39 11.283 -1.454 -8.393 1.00 0.36 N ATOM 610 CA SER A 39 11.806 -2.803 -8.331 1.00 0.40 C ATOM 611 C SER A 39 12.279 -3.104 -6.920 1.00 0.32 C ATOM 612 O SER A 39 12.546 -2.190 -6.140 1.00 0.37 O ATOM 613 CB SER A 39 12.966 -2.968 -9.320 1.00 0.54 C ATOM 614 OG SER A 39 13.508 -4.276 -9.274 1.00 1.26 O ATOM 0 H SER A 39 11.456 -0.898 -7.556 1.00 0.36 H new ATOM 0 HA SER A 39 11.015 -3.503 -8.601 1.00 0.40 H new ATOM 0 HB2 SER A 39 12.617 -2.753 -10.330 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.746 -2.242 -9.091 1.00 0.54 H new ATOM 0 HG SER A 39 14.244 -4.348 -9.917 1.00 1.26 H new ATOM 620 N VAL A 40 12.359 -4.377 -6.595 1.00 0.36 N ATOM 621 CA VAL A 40 12.921 -4.811 -5.331 1.00 0.30 C ATOM 622 C VAL A 40 14.058 -5.788 -5.601 1.00 0.31 C ATOM 623 O VAL A 40 13.938 -6.682 -6.446 1.00 0.37 O ATOM 624 CB VAL A 40 11.852 -5.446 -4.406 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.200 -6.654 -5.056 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.452 -5.816 -3.058 1.00 0.32 C ATOM 0 H VAL A 40 12.039 -5.137 -7.195 1.00 0.36 H new ATOM 0 HA VAL A 40 13.306 -3.937 -4.805 1.00 0.30 H new ATOM 0 HB VAL A 40 11.075 -4.700 -4.241 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.456 -7.074 -4.379 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.716 -6.351 -5.984 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.960 -7.406 -5.271 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.682 -6.260 -2.427 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.260 -6.533 -3.204 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.845 -4.920 -2.576 1.00 0.32 H new ATOM 636 N ASP A 41 15.169 -5.594 -4.909 1.00 0.35 N ATOM 637 CA ASP A 41 16.361 -6.398 -5.133 1.00 0.45 C ATOM 638 C ASP A 41 16.151 -7.803 -4.582 1.00 0.48 C ATOM 639 O ASP A 41 15.789 -7.971 -3.418 1.00 0.51 O ATOM 640 CB ASP A 41 17.570 -5.733 -4.470 1.00 0.54 C ATOM 641 CG ASP A 41 18.888 -6.351 -4.891 1.00 1.27 C ATOM 642 OD1 ASP A 41 19.296 -6.162 -6.058 1.00 1.32 O ATOM 643 OD2 ASP A 41 19.536 -7.010 -4.055 1.00 2.28 O ATOM 0 H ASP A 41 15.271 -4.884 -4.184 1.00 0.35 H new ATOM 0 HA ASP A 41 16.550 -6.471 -6.204 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.576 -4.672 -4.719 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.470 -5.806 -3.387 1.00 0.54 H new ATOM 648 N PRO A 42 16.341 -8.830 -5.423 1.00 0.58 N ATOM 649 CA PRO A 42 16.102 -10.224 -5.039 1.00 0.69 C ATOM 650 C PRO A 42 16.992 -10.680 -3.887 1.00 0.69 C ATOM 651 O PRO A 42 18.195 -10.412 -3.876 1.00 1.17 O ATOM 652 CB PRO A 42 16.424 -11.019 -6.312 1.00 0.84 C ATOM 653 CG PRO A 42 17.264 -10.106 -7.140 1.00 0.93 C ATOM 654 CD PRO A 42 16.801 -8.715 -6.817 1.00 0.69 C ATOM 0 HA PRO A 42 15.083 -10.367 -4.681 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.957 -11.940 -6.077 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.514 -11.304 -6.840 1.00 0.84 H new ATOM 0 HG2 PRO A 42 18.322 -10.230 -6.907 1.00 0.93 H new ATOM 0 HG3 PRO A 42 17.144 -10.321 -8.202 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.608 -7.989 -6.916 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.999 -8.393 -7.481 1.00 0.69 H new ATOM 662 N ASP A 43 16.376 -11.364 -2.924 1.00 0.75 N ATOM 663 CA ASP A 43 17.074 -11.935 -1.766 1.00 0.87 C ATOM 664 C ASP A 43 17.502 -10.866 -0.767 1.00 0.70 C ATOM 665 O ASP A 43 18.386 -11.100 0.059 1.00 0.86 O ATOM 666 CB ASP A 43 18.293 -12.758 -2.193 1.00 1.14 C ATOM 667 CG ASP A 43 17.922 -14.046 -2.896 1.00 1.69 C ATOM 668 OD1 ASP A 43 17.465 -13.982 -4.056 1.00 2.40 O ATOM 669 OD2 ASP A 43 18.067 -15.127 -2.291 1.00 1.92 O ATOM 0 H ASP A 43 15.371 -11.540 -2.923 1.00 0.75 H new ATOM 0 HA ASP A 43 16.358 -12.594 -1.275 1.00 0.87 H new ATOM 0 HB2 ASP A 43 18.917 -12.157 -2.854 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.893 -12.991 -1.313 1.00 1.14 H new ATOM 674 N SER A 44 16.872 -9.704 -0.827 1.00 0.57 N ATOM 675 CA SER A 44 17.162 -8.640 0.119 1.00 0.48 C ATOM 676 C SER A 44 16.133 -8.652 1.244 1.00 0.40 C ATOM 677 O SER A 44 15.049 -9.224 1.089 1.00 0.39 O ATOM 678 CB SER A 44 17.150 -7.282 -0.586 1.00 0.47 C ATOM 679 OG SER A 44 15.845 -6.959 -1.038 1.00 0.46 O ATOM 0 H SER A 44 16.159 -9.474 -1.519 1.00 0.57 H new ATOM 0 HA SER A 44 18.154 -8.806 0.539 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.504 -6.510 0.097 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.838 -7.300 -1.431 1.00 0.47 H new ATOM 0 HG SER A 44 15.569 -7.600 -1.726 1.00 0.46 H new ATOM 685 N PRO A 45 16.450 -8.032 2.391 1.00 0.43 N ATOM 686 CA PRO A 45 15.501 -7.901 3.499 1.00 0.45 C ATOM 687 C PRO A 45 14.244 -7.131 3.089 1.00 0.38 C ATOM 688 O PRO A 45 13.174 -7.302 3.677 1.00 0.39 O ATOM 689 CB PRO A 45 16.287 -7.129 4.568 1.00 0.57 C ATOM 690 CG PRO A 45 17.436 -6.510 3.845 1.00 0.65 C ATOM 691 CD PRO A 45 17.757 -7.436 2.711 1.00 0.52 C ATOM 0 HA PRO A 45 15.143 -8.870 3.846 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.665 -6.369 5.041 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.633 -7.795 5.359 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.176 -5.517 3.477 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.294 -6.390 4.506 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.176 -6.901 1.859 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.486 -8.193 3.002 1.00 0.52 H new ATOM 699 N ALA A 46 14.374 -6.299 2.060 1.00 0.35 N ATOM 700 CA ALA A 46 13.245 -5.535 1.551 1.00 0.33 C ATOM 701 C ALA A 46 12.252 -6.455 0.863 1.00 0.30 C ATOM 702 O ALA A 46 11.046 -6.315 1.026 1.00 0.31 O ATOM 703 CB ALA A 46 13.714 -4.455 0.592 1.00 0.36 C ATOM 0 H ALA A 46 15.251 -6.138 1.564 1.00 0.35 H new ATOM 0 HA ALA A 46 12.751 -5.053 2.394 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.853 -3.896 0.224 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.392 -3.777 1.111 1.00 0.36 H new ATOM 0 HB3 ALA A 46 14.234 -4.915 -0.248 1.00 0.36 H new ATOM 709 N GLU A 47 12.767 -7.409 0.108 1.00 0.31 N ATOM 710 CA GLU A 47 11.921 -8.360 -0.595 1.00 0.33 C ATOM 711 C GLU A 47 11.253 -9.306 0.397 1.00 0.34 C ATOM 712 O GLU A 47 10.071 -9.632 0.262 1.00 0.40 O ATOM 713 CB GLU A 47 12.748 -9.145 -1.611 1.00 0.40 C ATOM 714 CG GLU A 47 11.947 -10.160 -2.407 1.00 0.53 C ATOM 715 CD GLU A 47 12.764 -10.815 -3.498 1.00 1.12 C ATOM 716 OE1 GLU A 47 13.660 -11.619 -3.167 1.00 2.01 O ATOM 717 OE2 GLU A 47 12.526 -10.517 -4.687 1.00 1.51 O ATOM 0 H GLU A 47 13.768 -7.547 -0.035 1.00 0.31 H new ATOM 0 HA GLU A 47 11.142 -7.814 -1.128 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.216 -8.444 -2.302 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.552 -9.662 -1.088 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.566 -10.927 -1.733 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.082 -9.668 -2.851 1.00 0.53 H new ATOM 724 N ALA A 48 12.009 -9.711 1.413 1.00 0.34 N ATOM 725 CA ALA A 48 11.512 -10.634 2.426 1.00 0.38 C ATOM 726 C ALA A 48 10.419 -10.000 3.283 1.00 0.37 C ATOM 727 O ALA A 48 9.640 -10.703 3.926 1.00 0.47 O ATOM 728 CB ALA A 48 12.654 -11.115 3.305 1.00 0.44 C ATOM 0 H ALA A 48 12.974 -9.412 1.556 1.00 0.34 H new ATOM 0 HA ALA A 48 11.073 -11.487 1.908 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.269 -11.804 4.057 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.396 -11.626 2.691 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.118 -10.261 3.798 1.00 0.44 H new ATOM 734 N SER A 49 10.363 -8.671 3.290 1.00 0.31 N ATOM 735 CA SER A 49 9.372 -7.955 4.077 1.00 0.32 C ATOM 736 C SER A 49 8.001 -8.035 3.412 1.00 0.35 C ATOM 737 O SER A 49 6.982 -7.706 4.021 1.00 0.40 O ATOM 738 CB SER A 49 9.791 -6.493 4.246 1.00 0.32 C ATOM 739 OG SER A 49 9.603 -5.755 3.053 1.00 0.31 O ATOM 0 H SER A 49 10.994 -8.071 2.758 1.00 0.31 H new ATOM 0 HA SER A 49 9.307 -8.421 5.060 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.212 -6.039 5.050 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.839 -6.446 4.542 1.00 0.32 H new ATOM 0 HG SER A 49 9.924 -6.279 2.290 1.00 0.31 H new ATOM 745 N GLY A 50 7.988 -8.478 2.159 1.00 0.36 N ATOM 746 CA GLY A 50 6.745 -8.587 1.422 1.00 0.43 C ATOM 747 C GLY A 50 6.642 -7.560 0.315 1.00 0.43 C ATOM 748 O GLY A 50 5.657 -7.529 -0.422 1.00 0.62 O ATOM 0 H GLY A 50 8.819 -8.764 1.641 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.664 -9.587 0.996 1.00 0.43 H new ATOM 0 HA3 GLY A 50 5.907 -8.464 2.108 1.00 0.43 H new ATOM 752 N LEU A 51 7.665 -6.719 0.196 1.00 0.41 N ATOM 753 CA LEU A 51 7.678 -5.675 -0.816 1.00 0.40 C ATOM 754 C LEU A 51 7.955 -6.269 -2.190 1.00 0.48 C ATOM 755 O LEU A 51 8.880 -7.069 -2.360 1.00 0.65 O ATOM 756 CB LEU A 51 8.733 -4.618 -0.480 1.00 0.38 C ATOM 757 CG LEU A 51 8.687 -3.359 -1.347 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.377 -2.618 -1.131 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.869 -2.453 -1.046 1.00 0.37 C ATOM 0 H LEU A 51 8.494 -6.742 0.789 1.00 0.41 H new ATOM 0 HA LEU A 51 6.697 -5.200 -0.831 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.614 -4.327 0.564 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.721 -5.070 -0.574 1.00 0.38 H new ATOM 0 HG LEU A 51 8.749 -3.659 -2.393 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.358 -1.724 -1.754 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.543 -3.266 -1.401 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.289 -2.332 -0.083 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.815 -1.564 -1.674 1.00 0.37 H new ATOM 0 HD22 LEU A 51 9.843 -2.158 0.003 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.797 -2.986 -1.250 1.00 0.37 H new ATOM 771 N ARG A 52 7.138 -5.896 -3.157 1.00 0.53 N ATOM 772 CA ARG A 52 7.318 -6.334 -4.528 1.00 0.65 C ATOM 773 C ARG A 52 7.204 -5.152 -5.478 1.00 0.55 C ATOM 774 O ARG A 52 7.117 -4.006 -5.042 1.00 0.61 O ATOM 775 CB ARG A 52 6.304 -7.420 -4.898 1.00 0.86 C ATOM 776 CG ARG A 52 4.943 -7.236 -4.255 1.00 1.23 C ATOM 777 CD ARG A 52 3.846 -7.839 -5.110 1.00 2.05 C ATOM 778 NE ARG A 52 3.480 -6.948 -6.205 1.00 2.59 N ATOM 779 CZ ARG A 52 2.902 -7.338 -7.340 1.00 3.57 C ATOM 780 NH1 ARG A 52 2.634 -8.618 -7.559 1.00 4.13 N ATOM 781 NH2 ARG A 52 2.595 -6.444 -8.270 1.00 4.38 N ATOM 0 H ARG A 52 6.335 -5.284 -3.015 1.00 0.53 H new ATOM 0 HA ARG A 52 8.316 -6.763 -4.619 1.00 0.65 H new ATOM 0 HB2 ARG A 52 6.184 -7.437 -5.981 1.00 0.86 H new ATOM 0 HB3 ARG A 52 6.704 -8.391 -4.607 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.937 -7.702 -3.270 1.00 1.23 H new ATOM 0 HG3 ARG A 52 4.749 -6.174 -4.106 1.00 1.23 H new ATOM 0 HD2 ARG A 52 4.179 -8.796 -5.512 1.00 2.05 H new ATOM 0 HD3 ARG A 52 2.970 -8.040 -4.493 1.00 2.05 H new ATOM 0 HE ARG A 52 3.681 -5.954 -6.094 1.00 2.59 H new ATOM 0 HH11 ARG A 52 2.871 -9.316 -6.854 1.00 4.13 H new ATOM 0 HH12 ARG A 52 2.191 -8.904 -8.432 1.00 4.13 H new ATOM 0 HH21 ARG A 52 2.801 -5.457 -8.117 1.00 4.38 H new ATOM 0 HH22 ARG A 52 2.152 -6.743 -9.139 1.00 4.38 H new ATOM 795 N ALA A 53 7.197 -5.432 -6.771 1.00 0.53 N ATOM 796 CA ALA A 53 7.217 -4.383 -7.779 1.00 0.54 C ATOM 797 C ALA A 53 5.806 -3.961 -8.168 1.00 0.61 C ATOM 798 O ALA A 53 4.862 -4.740 -8.045 1.00 1.44 O ATOM 799 CB ALA A 53 7.990 -4.842 -9.008 1.00 0.68 C ATOM 0 H ALA A 53 7.178 -6.379 -7.149 1.00 0.53 H new ATOM 0 HA ALA A 53 7.720 -3.517 -7.349 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.996 -4.046 -9.753 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.015 -5.081 -8.725 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.513 -5.728 -9.428 1.00 0.68 H new ATOM 805 N GLN A 54 5.683 -2.718 -8.641 1.00 0.65 N ATOM 806 CA GLN A 54 4.404 -2.152 -9.083 1.00 0.74 C ATOM 807 C GLN A 54 3.464 -1.917 -7.900 1.00 0.59 C ATOM 808 O GLN A 54 2.251 -1.781 -8.070 1.00 0.67 O ATOM 809 CB GLN A 54 3.733 -3.044 -10.134 1.00 0.99 C ATOM 810 CG GLN A 54 4.573 -3.254 -11.382 1.00 1.46 C ATOM 811 CD GLN A 54 3.891 -4.147 -12.397 1.00 2.34 C ATOM 812 OE1 GLN A 54 3.167 -3.672 -13.275 1.00 2.99 O ATOM 813 NE2 GLN A 54 4.111 -5.447 -12.285 1.00 3.06 N ATOM 0 H GLN A 54 6.469 -2.074 -8.729 1.00 0.65 H new ATOM 0 HA GLN A 54 4.618 -1.188 -9.544 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.513 -4.014 -9.688 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.779 -2.600 -10.419 1.00 0.99 H new ATOM 0 HG2 GLN A 54 4.787 -2.288 -11.839 1.00 1.46 H new ATOM 0 HG3 GLN A 54 5.530 -3.693 -11.102 1.00 1.46 H new ATOM 0 HE21 GLN A 54 4.717 -5.800 -11.544 1.00 3.06 H new ATOM 0 HE22 GLN A 54 3.675 -6.096 -12.940 1.00 3.06 H new ATOM 822 N ASP A 55 4.037 -1.873 -6.705 1.00 0.47 N ATOM 823 CA ASP A 55 3.281 -1.553 -5.501 1.00 0.45 C ATOM 824 C ASP A 55 3.313 -0.054 -5.257 1.00 0.39 C ATOM 825 O ASP A 55 4.277 0.622 -5.624 1.00 0.48 O ATOM 826 CB ASP A 55 3.843 -2.294 -4.286 1.00 0.50 C ATOM 827 CG ASP A 55 3.379 -3.734 -4.213 1.00 0.67 C ATOM 828 OD1 ASP A 55 3.641 -4.491 -5.173 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.746 -4.113 -3.207 1.00 1.01 O ATOM 0 H ASP A 55 5.027 -2.056 -6.543 1.00 0.47 H new ATOM 0 HA ASP A 55 2.250 -1.875 -5.647 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.932 -2.269 -4.322 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.542 -1.773 -3.377 1.00 0.50 H new ATOM 834 N ARG A 56 2.266 0.470 -4.643 1.00 0.38 N ATOM 835 CA ARG A 56 2.164 1.895 -4.419 1.00 0.42 C ATOM 836 C ARG A 56 2.057 2.169 -2.926 1.00 0.39 C ATOM 837 O ARG A 56 1.241 1.563 -2.228 1.00 0.39 O ATOM 838 CB ARG A 56 0.960 2.443 -5.188 1.00 0.56 C ATOM 839 CG ARG A 56 0.951 3.952 -5.341 1.00 0.78 C ATOM 840 CD ARG A 56 0.181 4.616 -4.225 1.00 0.79 C ATOM 841 NE ARG A 56 -1.201 4.148 -4.168 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.980 4.320 -3.115 1.00 0.91 C ATOM 843 NH1 ARG A 56 -1.462 4.816 -2.003 1.00 1.51 N ATOM 844 NH2 ARG A 56 -3.259 3.962 -3.161 1.00 1.57 N ATOM 0 H ARG A 56 1.477 -0.073 -4.292 1.00 0.38 H new ATOM 0 HA ARG A 56 3.056 2.402 -4.786 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.939 1.989 -6.179 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.047 2.136 -4.677 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.975 4.324 -5.349 1.00 0.78 H new ATOM 0 HG3 ARG A 56 0.507 4.219 -6.300 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.673 4.414 -3.273 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.193 5.697 -4.367 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.584 3.665 -4.981 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -0.472 5.060 -1.966 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.052 4.954 -1.183 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.644 3.552 -4.012 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.856 4.097 -2.345 1.00 1.57 H new ATOM 858 N ILE A 57 2.902 3.069 -2.444 1.00 0.40 N ATOM 859 CA ILE A 57 3.020 3.337 -1.014 1.00 0.38 C ATOM 860 C ILE A 57 1.855 4.176 -0.508 1.00 0.38 C ATOM 861 O ILE A 57 1.424 5.128 -1.162 1.00 0.49 O ATOM 862 CB ILE A 57 4.352 4.055 -0.693 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.533 3.235 -1.229 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.494 4.279 0.808 1.00 0.45 C ATOM 865 CD1 ILE A 57 6.885 3.873 -0.987 1.00 0.68 C ATOM 0 H ILE A 57 3.522 3.632 -3.027 1.00 0.40 H new ATOM 0 HA ILE A 57 3.003 2.374 -0.505 1.00 0.38 H new ATOM 0 HB ILE A 57 4.350 5.029 -1.182 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.519 2.250 -0.763 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.401 3.083 -2.300 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.437 4.785 1.013 1.00 0.45 H new ATOM 0 HG22 ILE A 57 3.667 4.894 1.164 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.479 3.318 1.322 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.668 3.233 -1.395 1.00 0.68 H new ATOM 0 HD12 ILE A 57 6.921 4.846 -1.476 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.041 3.999 0.084 1.00 0.68 H new ATOM 877 N VAL A 58 1.333 3.789 0.647 1.00 0.29 N ATOM 878 CA VAL A 58 0.258 4.523 1.291 1.00 0.32 C ATOM 879 C VAL A 58 0.741 5.106 2.614 1.00 0.30 C ATOM 880 O VAL A 58 0.573 6.293 2.884 1.00 0.37 O ATOM 881 CB VAL A 58 -0.964 3.630 1.569 1.00 0.37 C ATOM 882 CG1 VAL A 58 -2.185 4.488 1.843 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.219 2.668 0.420 1.00 0.62 C ATOM 0 H VAL A 58 1.641 2.963 1.160 1.00 0.29 H new ATOM 0 HA VAL A 58 -0.039 5.318 0.607 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.755 3.029 2.454 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -3.044 3.846 2.038 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.999 5.119 2.712 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.391 5.116 0.976 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.089 2.052 0.648 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.404 3.233 -0.493 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.347 2.028 0.281 1.00 0.62 H new ATOM 893 N GLU A 59 1.353 4.258 3.434 1.00 0.24 N ATOM 894 CA GLU A 59 1.836 4.680 4.746 1.00 0.25 C ATOM 895 C GLU A 59 3.295 4.278 4.932 1.00 0.22 C ATOM 896 O GLU A 59 3.745 3.271 4.382 1.00 0.23 O ATOM 897 CB GLU A 59 0.995 4.073 5.881 1.00 0.29 C ATOM 898 CG GLU A 59 -0.484 4.440 5.845 1.00 0.40 C ATOM 899 CD GLU A 59 -1.189 4.146 7.160 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.615 2.991 7.377 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.316 5.076 7.987 1.00 0.89 O ATOM 0 H GLU A 59 1.526 3.277 3.215 1.00 0.24 H new ATOM 0 HA GLU A 59 1.745 5.765 4.790 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.087 2.988 5.842 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.412 4.394 6.835 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.587 5.500 5.610 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.973 3.887 5.043 1.00 0.40 H new ATOM 908 N VAL A 60 4.028 5.075 5.699 1.00 0.22 N ATOM 909 CA VAL A 60 5.417 4.777 6.022 1.00 0.21 C ATOM 910 C VAL A 60 5.640 4.895 7.528 1.00 0.22 C ATOM 911 O VAL A 60 5.403 5.951 8.111 1.00 0.27 O ATOM 912 CB VAL A 60 6.402 5.723 5.298 1.00 0.23 C ATOM 913 CG1 VAL A 60 7.839 5.351 5.629 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.180 5.698 3.793 1.00 0.66 C ATOM 0 H VAL A 60 3.679 5.940 6.112 1.00 0.22 H new ATOM 0 HA VAL A 60 5.611 3.759 5.685 1.00 0.21 H new ATOM 0 HB VAL A 60 6.214 6.737 5.650 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.519 6.027 5.111 1.00 0.54 H new ATOM 0 HG12 VAL A 60 7.997 5.431 6.704 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.033 4.327 5.309 1.00 0.54 H new ATOM 0 HG21 VAL A 60 6.887 6.373 3.310 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.332 4.685 3.420 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.162 6.018 3.570 1.00 0.66 H new ATOM 924 N ASN A 61 6.072 3.798 8.146 1.00 0.25 N ATOM 925 CA ASN A 61 6.356 3.752 9.585 1.00 0.30 C ATOM 926 C ASN A 61 5.114 4.074 10.409 1.00 0.36 C ATOM 927 O ASN A 61 5.212 4.575 11.528 1.00 0.47 O ATOM 928 CB ASN A 61 7.492 4.717 9.962 1.00 0.39 C ATOM 929 CG ASN A 61 8.792 4.416 9.243 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.078 3.270 8.889 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.595 5.446 9.032 1.00 0.61 N ATOM 0 H ASN A 61 6.236 2.913 7.666 1.00 0.25 H new ATOM 0 HA ASN A 61 6.671 2.734 9.813 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.185 5.737 9.733 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.659 4.669 11.038 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.489 5.308 8.560 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.320 6.378 9.341 1.00 0.61 H new ATOM 938 N GLY A 62 3.945 3.787 9.851 1.00 0.37 N ATOM 939 CA GLY A 62 2.702 4.067 10.547 1.00 0.50 C ATOM 940 C GLY A 62 2.195 5.470 10.278 1.00 0.51 C ATOM 941 O GLY A 62 1.167 5.882 10.818 1.00 0.66 O ATOM 0 H GLY A 62 3.834 3.365 8.929 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.946 3.345 10.240 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.851 3.936 11.619 1.00 0.50 H new ATOM 945 N VAL A 63 2.926 6.210 9.454 1.00 0.42 N ATOM 946 CA VAL A 63 2.544 7.564 9.083 1.00 0.50 C ATOM 947 C VAL A 63 1.971 7.579 7.671 1.00 0.43 C ATOM 948 O VAL A 63 2.638 7.168 6.718 1.00 0.39 O ATOM 949 CB VAL A 63 3.751 8.525 9.153 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.339 9.940 8.784 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.378 8.498 10.539 1.00 1.17 C ATOM 0 H VAL A 63 3.795 5.890 9.027 1.00 0.42 H new ATOM 0 HA VAL A 63 1.788 7.902 9.792 1.00 0.50 H new ATOM 0 HB VAL A 63 4.494 8.187 8.431 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.206 10.598 8.841 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.942 9.950 7.769 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.573 10.288 9.477 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.227 9.182 10.568 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.639 8.806 11.279 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.718 7.487 10.765 1.00 1.17 H new ATOM 961 N CYS A 64 0.737 8.040 7.540 1.00 0.49 N ATOM 962 CA CYS A 64 0.063 8.066 6.249 1.00 0.49 C ATOM 963 C CYS A 64 0.686 9.113 5.334 1.00 0.47 C ATOM 964 O CYS A 64 0.966 10.239 5.755 1.00 0.51 O ATOM 965 CB CYS A 64 -1.432 8.343 6.432 1.00 0.59 C ATOM 966 SG CYS A 64 -2.400 8.236 4.911 1.00 1.68 S ATOM 0 H CYS A 64 0.180 8.402 8.314 1.00 0.49 H new ATOM 0 HA CYS A 64 0.183 7.088 5.783 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.835 7.634 7.156 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.556 9.339 6.858 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.425 9.031 4.992 1.00 1.68 H new ATOM 972 N MET A 65 0.909 8.734 4.088 1.00 0.48 N ATOM 973 CA MET A 65 1.513 9.626 3.114 1.00 0.53 C ATOM 974 C MET A 65 0.506 9.988 2.033 1.00 0.61 C ATOM 975 O MET A 65 0.669 9.651 0.862 1.00 0.81 O ATOM 976 CB MET A 65 2.761 8.987 2.507 1.00 0.61 C ATOM 977 CG MET A 65 3.859 8.749 3.528 1.00 0.63 C ATOM 978 SD MET A 65 4.312 10.258 4.406 1.00 0.61 S ATOM 979 CE MET A 65 5.528 9.636 5.558 1.00 0.74 C ATOM 0 H MET A 65 0.679 7.809 3.725 1.00 0.48 H new ATOM 0 HA MET A 65 1.815 10.544 3.619 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.489 8.038 2.045 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.143 9.630 1.714 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.529 7.998 4.246 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.738 8.345 3.026 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.089 10.470 5.981 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.026 9.093 6.359 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.212 8.965 5.038 1.00 0.74 H new ATOM 989 N GLU A 66 -0.539 10.679 2.452 1.00 0.83 N ATOM 990 CA GLU A 66 -1.610 11.081 1.556 1.00 1.01 C ATOM 991 C GLU A 66 -1.361 12.484 1.005 1.00 1.08 C ATOM 992 O GLU A 66 -1.608 13.484 1.675 1.00 1.86 O ATOM 993 CB GLU A 66 -2.956 11.011 2.290 1.00 1.29 C ATOM 994 CG GLU A 66 -2.945 11.655 3.670 1.00 2.19 C ATOM 995 CD GLU A 66 -4.252 11.470 4.411 1.00 3.03 C ATOM 996 OE1 GLU A 66 -4.435 10.417 5.055 1.00 3.75 O ATOM 997 OE2 GLU A 66 -5.109 12.375 4.345 1.00 3.33 O ATOM 0 H GLU A 66 -0.670 10.977 3.419 1.00 0.83 H new ATOM 0 HA GLU A 66 -1.637 10.394 0.710 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -3.716 11.498 1.680 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -3.249 9.966 2.391 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -2.134 11.227 4.260 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -2.738 12.720 3.568 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.841 12.545 -0.213 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.586 13.825 -0.845 1.00 1.36 C ATOM 1006 C GLY A 67 0.778 14.384 -0.492 1.00 1.24 C ATOM 1007 O GLY A 67 1.114 15.508 -0.870 1.00 1.47 O ATOM 0 H GLY A 67 -0.591 11.731 -0.775 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.661 13.714 -1.927 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.356 14.535 -0.543 1.00 1.36 H new ATOM 1011 N LYS A 68 1.554 13.602 0.248 1.00 0.97 N ATOM 1012 CA LYS A 68 2.903 13.991 0.636 1.00 0.87 C ATOM 1013 C LYS A 68 3.804 14.266 -0.558 1.00 0.90 C ATOM 1014 O LYS A 68 3.585 13.763 -1.663 1.00 1.06 O ATOM 1015 CB LYS A 68 3.533 12.903 1.491 1.00 0.73 C ATOM 1016 CG LYS A 68 2.905 12.786 2.857 1.00 1.24 C ATOM 1017 CD LYS A 68 2.960 14.107 3.594 1.00 2.01 C ATOM 1018 CE LYS A 68 2.532 13.937 5.032 1.00 2.81 C ATOM 1019 NZ LYS A 68 3.472 13.061 5.779 1.00 3.36 N ATOM 0 H LYS A 68 1.268 12.686 0.594 1.00 0.97 H new ATOM 0 HA LYS A 68 2.810 14.918 1.202 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.446 11.947 0.974 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.598 13.108 1.603 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.869 12.463 2.758 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.423 12.021 3.435 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.973 14.508 3.556 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.312 14.831 3.100 1.00 2.01 H new ATOM 0 HE2 LYS A 68 2.480 14.913 5.515 1.00 2.81 H new ATOM 0 HE3 LYS A 68 1.530 13.510 5.067 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 3.261 13.113 6.796 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.365 12.079 5.453 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 4.449 13.377 5.612 1.00 3.36 H new ATOM 1033 N GLN A 69 4.831 15.061 -0.299 1.00 0.87 N ATOM 1034 CA GLN A 69 5.811 15.423 -1.304 1.00 0.93 C ATOM 1035 C GLN A 69 6.833 14.304 -1.461 1.00 0.81 C ATOM 1036 O GLN A 69 6.964 13.455 -0.575 1.00 0.74 O ATOM 1037 CB GLN A 69 6.520 16.713 -0.892 1.00 1.07 C ATOM 1038 CG GLN A 69 5.574 17.859 -0.575 1.00 1.33 C ATOM 1039 CD GLN A 69 6.278 19.013 0.113 1.00 2.12 C ATOM 1040 OE1 GLN A 69 6.382 19.045 1.340 1.00 2.64 O ATOM 1041 NE2 GLN A 69 6.753 19.971 -0.661 1.00 2.89 N ATOM 0 H GLN A 69 5.006 15.473 0.618 1.00 0.87 H new ATOM 0 HA GLN A 69 5.303 15.578 -2.256 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.139 16.513 -0.017 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.191 17.020 -1.694 1.00 1.07 H new ATOM 0 HG2 GLN A 69 5.115 18.214 -1.498 1.00 1.33 H new ATOM 0 HG3 GLN A 69 4.768 17.496 0.063 1.00 1.33 H new ATOM 0 HE21 GLN A 69 6.647 19.908 -1.674 1.00 2.89 H new ATOM 0 HE22 GLN A 69 7.226 20.774 -0.247 1.00 2.89 H new ATOM 1050 N HIS A 70 7.564 14.318 -2.565 1.00 0.84 N ATOM 1051 CA HIS A 70 8.560 13.288 -2.854 1.00 0.79 C ATOM 1052 C HIS A 70 9.625 13.233 -1.757 1.00 0.70 C ATOM 1053 O HIS A 70 10.078 12.157 -1.369 1.00 0.65 O ATOM 1054 CB HIS A 70 9.206 13.566 -4.221 1.00 0.88 C ATOM 1055 CG HIS A 70 10.213 12.541 -4.655 1.00 0.90 C ATOM 1056 ND1 HIS A 70 9.913 11.512 -5.522 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.525 12.399 -4.347 1.00 1.37 C ATOM 1058 CE1 HIS A 70 10.996 10.784 -5.728 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.985 11.300 -5.027 1.00 1.13 N ATOM 0 H HIS A 70 7.487 15.037 -3.284 1.00 0.84 H new ATOM 0 HA HIS A 70 8.063 12.318 -2.883 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.420 13.626 -4.974 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.691 14.542 -4.188 1.00 0.88 H new ATOM 0 HD2 HIS A 70 12.101 13.033 -3.689 1.00 1.37 H new ATOM 0 HE1 HIS A 70 11.060 9.913 -6.364 1.00 1.31 H new ATOM 0 HE2 HIS A 70 12.939 10.940 -4.995 1.00 1.13 H new ATOM 1068 N GLY A 71 10.015 14.393 -1.259 1.00 0.72 N ATOM 1069 CA GLY A 71 11.036 14.453 -0.236 1.00 0.69 C ATOM 1070 C GLY A 71 10.590 13.858 1.085 1.00 0.62 C ATOM 1071 O GLY A 71 11.352 13.132 1.727 1.00 0.62 O ATOM 0 H GLY A 71 9.642 15.298 -1.545 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.923 13.924 -0.585 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.325 15.492 -0.080 1.00 0.69 H new ATOM 1075 N ASP A 72 9.347 14.134 1.477 1.00 0.61 N ATOM 1076 CA ASP A 72 8.847 13.716 2.788 1.00 0.58 C ATOM 1077 C ASP A 72 8.748 12.200 2.882 1.00 0.49 C ATOM 1078 O ASP A 72 9.103 11.611 3.904 1.00 0.44 O ATOM 1079 CB ASP A 72 7.477 14.339 3.079 1.00 0.68 C ATOM 1080 CG ASP A 72 7.062 14.165 4.530 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.805 14.610 5.430 1.00 1.47 O ATOM 1082 OD2 ASP A 72 5.991 13.569 4.779 1.00 2.03 O ATOM 0 H ASP A 72 8.670 14.643 0.909 1.00 0.61 H new ATOM 0 HA ASP A 72 9.561 14.068 3.533 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.504 15.401 2.836 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.728 13.883 2.432 1.00 0.68 H new ATOM 1087 N VAL A 73 8.282 11.571 1.808 1.00 0.50 N ATOM 1088 CA VAL A 73 8.107 10.125 1.787 1.00 0.45 C ATOM 1089 C VAL A 73 9.454 9.400 1.794 1.00 0.44 C ATOM 1090 O VAL A 73 9.630 8.413 2.507 1.00 0.43 O ATOM 1091 CB VAL A 73 7.262 9.665 0.574 1.00 0.51 C ATOM 1092 CG1 VAL A 73 5.832 10.166 0.701 1.00 1.08 C ATOM 1093 CG2 VAL A 73 7.871 10.138 -0.735 1.00 0.97 C ATOM 0 H VAL A 73 8.019 12.041 0.942 1.00 0.50 H new ATOM 0 HA VAL A 73 7.566 9.862 2.696 1.00 0.45 H new ATOM 0 HB VAL A 73 7.255 8.575 0.568 1.00 0.51 H new ATOM 0 HG11 VAL A 73 5.252 9.834 -0.160 1.00 1.08 H new ATOM 0 HG12 VAL A 73 5.387 9.769 1.613 1.00 1.08 H new ATOM 0 HG13 VAL A 73 5.830 11.255 0.741 1.00 1.08 H new ATOM 0 HG21 VAL A 73 7.254 9.799 -1.567 1.00 0.97 H new ATOM 0 HG22 VAL A 73 7.921 11.227 -0.741 1.00 0.97 H new ATOM 0 HG23 VAL A 73 8.876 9.728 -0.838 1.00 0.97 H new ATOM 1103 N VAL A 74 10.410 9.905 1.019 1.00 0.49 N ATOM 1104 CA VAL A 74 11.741 9.310 0.961 1.00 0.53 C ATOM 1105 C VAL A 74 12.472 9.515 2.285 1.00 0.51 C ATOM 1106 O VAL A 74 13.179 8.624 2.765 1.00 0.52 O ATOM 1107 CB VAL A 74 12.578 9.902 -0.198 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.004 9.364 -0.180 1.00 0.72 C ATOM 1109 CG2 VAL A 74 11.919 9.601 -1.536 1.00 0.70 C ATOM 0 H VAL A 74 10.288 10.724 0.423 1.00 0.49 H new ATOM 0 HA VAL A 74 11.617 8.243 0.778 1.00 0.53 H new ATOM 0 HB VAL A 74 12.623 10.982 -0.061 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.567 9.798 -1.006 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.481 9.629 0.763 1.00 0.72 H new ATOM 0 HG13 VAL A 74 13.985 8.279 -0.284 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.520 10.024 -2.341 1.00 0.70 H new ATOM 0 HG22 VAL A 74 11.842 8.522 -1.669 1.00 0.70 H new ATOM 0 HG23 VAL A 74 10.922 10.041 -1.558 1.00 0.70 H new ATOM 1119 N SER A 75 12.274 10.686 2.878 1.00 0.51 N ATOM 1120 CA SER A 75 12.889 11.015 4.152 1.00 0.52 C ATOM 1121 C SER A 75 12.330 10.127 5.261 1.00 0.47 C ATOM 1122 O SER A 75 13.054 9.734 6.173 1.00 0.51 O ATOM 1123 CB SER A 75 12.653 12.489 4.489 1.00 0.58 C ATOM 1124 OG SER A 75 13.384 12.885 5.637 1.00 0.66 O ATOM 0 H SER A 75 11.688 11.426 2.492 1.00 0.51 H new ATOM 0 HA SER A 75 13.962 10.839 4.073 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.944 13.108 3.640 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.590 12.659 4.658 1.00 0.58 H new ATOM 0 HG SER A 75 13.212 13.832 5.824 1.00 0.66 H new ATOM 1130 N ALA A 76 11.041 9.809 5.168 1.00 0.42 N ATOM 1131 CA ALA A 76 10.375 8.993 6.176 1.00 0.39 C ATOM 1132 C ALA A 76 10.997 7.603 6.273 1.00 0.37 C ATOM 1133 O ALA A 76 11.207 7.085 7.368 1.00 0.39 O ATOM 1134 CB ALA A 76 8.892 8.883 5.870 1.00 0.39 C ATOM 0 H ALA A 76 10.437 10.106 4.402 1.00 0.42 H new ATOM 0 HA ALA A 76 10.506 9.485 7.140 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.408 8.271 6.631 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.446 9.878 5.867 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.756 8.421 4.892 1.00 0.39 H new ATOM 1140 N ILE A 77 11.296 7.010 5.121 1.00 0.37 N ATOM 1141 CA ILE A 77 11.916 5.688 5.071 1.00 0.39 C ATOM 1142 C ILE A 77 13.255 5.693 5.808 1.00 0.41 C ATOM 1143 O ILE A 77 13.571 4.775 6.569 1.00 0.44 O ATOM 1144 CB ILE A 77 12.137 5.245 3.610 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.815 5.305 2.841 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.727 3.842 3.557 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.976 5.121 1.348 1.00 0.69 C ATOM 0 H ILE A 77 11.119 7.425 4.206 1.00 0.37 H new ATOM 0 HA ILE A 77 11.242 4.984 5.559 1.00 0.39 H new ATOM 0 HB ILE A 77 12.847 5.926 3.141 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.146 4.534 3.224 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.337 6.266 3.031 1.00 0.53 H new ATOM 0 HG21 ILE A 77 12.875 3.549 2.518 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.685 3.830 4.077 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.044 3.142 4.038 1.00 0.50 H new ATOM 0 HD11 ILE A 77 9.999 5.175 0.867 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.619 5.907 0.952 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.426 4.148 1.148 1.00 0.69 H new ATOM 1159 N ARG A 78 14.024 6.753 5.596 1.00 0.43 N ATOM 1160 CA ARG A 78 15.328 6.897 6.231 1.00 0.50 C ATOM 1161 C ARG A 78 15.173 7.247 7.709 1.00 0.50 C ATOM 1162 O ARG A 78 15.999 6.867 8.539 1.00 0.56 O ATOM 1163 CB ARG A 78 16.148 7.969 5.511 1.00 0.58 C ATOM 1164 CG ARG A 78 16.406 7.644 4.047 1.00 0.66 C ATOM 1165 CD ARG A 78 17.166 8.755 3.344 1.00 0.89 C ATOM 1166 NE ARG A 78 18.555 8.847 3.786 1.00 1.59 N ATOM 1167 CZ ARG A 78 19.333 9.910 3.577 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.841 10.995 2.988 1.00 2.12 N ATOM 1169 NH2 ARG A 78 20.604 9.892 3.957 1.00 3.09 N ATOM 0 H ARG A 78 13.766 7.529 4.986 1.00 0.43 H new ATOM 0 HA ARG A 78 15.855 5.945 6.160 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.625 8.923 5.578 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.102 8.092 6.023 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.973 6.716 3.976 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.456 7.477 3.540 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.141 8.584 2.268 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.666 9.706 3.527 1.00 0.89 H new ATOM 0 HE ARG A 78 18.954 8.051 4.284 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.865 11.017 2.694 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.440 11.806 2.830 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.989 9.063 4.411 1.00 3.09 H new ATOM 0 HH22 ARG A 78 21.196 10.707 3.796 1.00 3.09 H new ATOM 1183 N ALA A 79 14.088 7.948 8.029 1.00 0.47 N ATOM 1184 CA ALA A 79 13.811 8.371 9.397 1.00 0.51 C ATOM 1185 C ALA A 79 13.388 7.195 10.269 1.00 0.43 C ATOM 1186 O ALA A 79 13.261 7.329 11.487 1.00 0.46 O ATOM 1187 CB ALA A 79 12.737 9.445 9.406 1.00 0.65 C ATOM 0 H ALA A 79 13.382 8.236 7.352 1.00 0.47 H new ATOM 0 HA ALA A 79 14.731 8.781 9.813 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.539 9.753 10.433 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.077 10.305 8.829 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.823 9.049 8.963 1.00 0.65 H new ATOM 1193 N GLY A 80 13.160 6.048 9.641 1.00 0.41 N ATOM 1194 CA GLY A 80 12.828 4.850 10.384 1.00 0.42 C ATOM 1195 C GLY A 80 13.959 4.427 11.298 1.00 0.46 C ATOM 1196 O GLY A 80 13.729 3.865 12.371 1.00 0.60 O ATOM 0 H GLY A 80 13.199 5.927 8.629 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.929 5.025 10.975 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.600 4.042 9.689 1.00 0.42 H new ATOM 1200 N GLY A 81 15.186 4.718 10.883 1.00 0.49 N ATOM 1201 CA GLY A 81 16.343 4.379 11.680 1.00 0.63 C ATOM 1202 C GLY A 81 17.085 3.185 11.127 1.00 0.64 C ATOM 1203 O GLY A 81 17.831 3.305 10.154 1.00 1.10 O ATOM 0 H GLY A 81 15.398 5.186 10.002 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.016 5.235 11.723 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.029 4.168 12.702 1.00 0.63 H new ATOM 1207 N ASP A 82 16.865 2.031 11.735 1.00 0.43 N ATOM 1208 CA ASP A 82 17.554 0.811 11.331 1.00 0.44 C ATOM 1209 C ASP A 82 16.596 -0.109 10.591 1.00 0.39 C ATOM 1210 O ASP A 82 17.014 -1.032 9.899 1.00 0.55 O ATOM 1211 CB ASP A 82 18.130 0.086 12.550 1.00 0.55 C ATOM 1212 CG ASP A 82 19.023 0.970 13.397 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.222 1.095 13.085 1.00 2.12 O ATOM 1214 OD2 ASP A 82 18.527 1.539 14.394 1.00 1.97 O ATOM 0 H ASP A 82 16.214 1.911 12.511 1.00 0.43 H new ATOM 0 HA ASP A 82 18.375 1.085 10.668 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.311 -0.288 13.164 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.699 -0.781 12.215 1.00 0.55 H new ATOM 1219 N GLU A 83 15.309 0.138 10.760 1.00 0.38 N ATOM 1220 CA GLU A 83 14.284 -0.590 10.032 1.00 0.39 C ATOM 1221 C GLU A 83 13.145 0.355 9.681 1.00 0.38 C ATOM 1222 O GLU A 83 12.971 1.393 10.323 1.00 0.53 O ATOM 1223 CB GLU A 83 13.770 -1.794 10.842 1.00 0.47 C ATOM 1224 CG GLU A 83 13.152 -1.428 12.179 1.00 0.86 C ATOM 1225 CD GLU A 83 11.656 -1.710 12.239 1.00 1.62 C ATOM 1226 OE1 GLU A 83 10.861 -0.855 11.801 1.00 2.00 O ATOM 1227 OE2 GLU A 83 11.272 -2.791 12.736 1.00 2.11 O ATOM 0 H GLU A 83 14.946 0.844 11.401 1.00 0.38 H new ATOM 0 HA GLU A 83 14.719 -0.983 9.113 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.030 -2.328 10.247 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.598 -2.482 11.014 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.654 -1.986 12.970 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.325 -0.370 12.376 1.00 0.86 H new ATOM 1234 N THR A 84 12.396 0.009 8.654 1.00 0.27 N ATOM 1235 CA THR A 84 11.309 0.844 8.191 1.00 0.26 C ATOM 1236 C THR A 84 10.117 -0.018 7.796 1.00 0.22 C ATOM 1237 O THR A 84 10.276 -1.172 7.382 1.00 0.21 O ATOM 1238 CB THR A 84 11.743 1.729 6.998 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.718 2.679 6.677 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.055 0.879 5.770 1.00 0.30 C ATOM 0 H THR A 84 12.523 -0.852 8.121 1.00 0.27 H new ATOM 0 HA THR A 84 11.022 1.503 9.010 1.00 0.26 H new ATOM 0 HB THR A 84 12.647 2.262 7.293 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.172 2.853 7.472 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.357 1.526 4.947 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.864 0.186 6.003 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.167 0.316 5.482 1.00 0.30 H new ATOM 1248 N LYS A 85 8.926 0.526 7.958 1.00 0.24 N ATOM 1249 CA LYS A 85 7.719 -0.192 7.605 1.00 0.23 C ATOM 1250 C LYS A 85 6.999 0.526 6.480 1.00 0.23 C ATOM 1251 O LYS A 85 6.552 1.660 6.640 1.00 0.26 O ATOM 1252 CB LYS A 85 6.803 -0.319 8.821 1.00 0.28 C ATOM 1253 CG LYS A 85 7.456 -1.028 9.992 1.00 0.37 C ATOM 1254 CD LYS A 85 6.541 -1.053 11.198 1.00 0.50 C ATOM 1255 CE LYS A 85 7.219 -1.684 12.400 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.417 -0.916 12.842 1.00 1.63 N ATOM 0 H LYS A 85 8.770 1.462 8.332 1.00 0.24 H new ATOM 0 HA LYS A 85 7.991 -1.193 7.269 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.489 0.676 9.137 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.902 -0.861 8.534 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.712 -2.048 9.706 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.388 -0.526 10.250 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.235 -0.036 11.444 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.635 -1.609 10.957 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.508 -1.748 13.223 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.515 -2.704 12.154 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.654 -1.176 13.821 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 9.221 -1.138 12.220 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 8.213 0.103 12.794 1.00 1.63 H new ATOM 1270 N LEU A 86 6.884 -0.139 5.347 1.00 0.22 N ATOM 1271 CA LEU A 86 6.226 0.441 4.192 1.00 0.22 C ATOM 1272 C LEU A 86 4.889 -0.233 3.965 1.00 0.22 C ATOM 1273 O LEU A 86 4.810 -1.458 3.870 1.00 0.27 O ATOM 1274 CB LEU A 86 7.099 0.299 2.943 1.00 0.24 C ATOM 1275 CG LEU A 86 8.487 0.938 3.038 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.276 0.687 1.762 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.377 2.431 3.304 1.00 0.28 C ATOM 0 H LEU A 86 7.239 -1.084 5.201 1.00 0.22 H new ATOM 0 HA LEU A 86 6.066 1.502 4.384 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.220 -0.762 2.723 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.571 0.741 2.098 1.00 0.24 H new ATOM 0 HG LEU A 86 9.016 0.479 3.873 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.260 1.148 1.846 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.390 -0.386 1.610 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.744 1.119 0.914 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.375 2.864 3.368 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.827 2.906 2.492 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.850 2.595 4.244 1.00 0.28 H new ATOM 1289 N LEU A 87 3.841 0.556 3.873 1.00 0.20 N ATOM 1290 CA LEU A 87 2.531 0.017 3.595 1.00 0.21 C ATOM 1291 C LEU A 87 2.185 0.280 2.146 1.00 0.21 C ATOM 1292 O LEU A 87 2.059 1.430 1.725 1.00 0.26 O ATOM 1293 CB LEU A 87 1.469 0.643 4.498 1.00 0.27 C ATOM 1294 CG LEU A 87 0.054 0.106 4.284 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.076 -1.309 4.822 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.973 1.020 4.924 1.00 0.45 C ATOM 0 H LEU A 87 3.871 1.569 3.986 1.00 0.20 H new ATOM 0 HA LEU A 87 2.549 -1.055 3.790 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.752 0.479 5.538 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.463 1.721 4.336 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.137 0.079 3.211 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.092 -1.669 4.658 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.628 -1.961 4.305 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.142 -1.314 5.890 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.972 0.617 4.758 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.782 1.088 5.995 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.904 2.013 4.479 1.00 0.45 H new ATOM 1308 N VAL A 88 2.043 -0.787 1.389 1.00 0.20 N ATOM 1309 CA VAL A 88 1.784 -0.684 -0.031 1.00 0.23 C ATOM 1310 C VAL A 88 0.563 -1.506 -0.399 1.00 0.24 C ATOM 1311 O VAL A 88 0.104 -2.338 0.385 1.00 0.27 O ATOM 1312 CB VAL A 88 3.000 -1.144 -0.868 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.140 -0.145 -0.751 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.466 -2.526 -0.432 1.00 0.33 C ATOM 0 H VAL A 88 2.103 -1.744 1.737 1.00 0.20 H new ATOM 0 HA VAL A 88 1.599 0.366 -0.259 1.00 0.23 H new ATOM 0 HB VAL A 88 2.689 -1.198 -1.911 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.986 -0.487 -1.347 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.810 0.828 -1.114 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.443 -0.059 0.293 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.322 -2.828 -1.035 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.754 -2.498 0.619 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.656 -3.243 -0.567 1.00 0.33 H new ATOM 1324 N VAL A 89 0.030 -1.256 -1.578 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.163 -1.944 -2.031 1.00 0.27 C ATOM 1326 C VAL A 89 -0.952 -2.561 -3.405 1.00 0.34 C ATOM 1327 O VAL A 89 -0.287 -1.981 -4.271 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.378 -0.994 -2.077 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.861 -0.673 -0.674 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.037 0.288 -2.823 1.00 0.30 C ATOM 0 H VAL A 89 0.405 -0.579 -2.242 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.365 -2.737 -1.311 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.180 -1.501 -2.614 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.718 -0.002 -0.729 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.153 -1.594 -0.170 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.059 -0.192 -0.114 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.909 0.941 -2.842 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.215 0.795 -2.318 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.742 0.047 -3.844 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.520 -3.745 -3.586 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.438 -4.461 -4.848 1.00 0.51 C ATOM 1342 C ASP A 90 -2.317 -3.770 -5.882 1.00 0.48 C ATOM 1343 O ASP A 90 -3.119 -2.906 -5.525 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.899 -5.910 -4.649 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.499 -6.838 -5.781 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -2.163 -6.819 -6.838 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -0.538 -7.614 -5.597 1.00 1.86 O ATOM 0 H ASP A 90 -2.049 -4.234 -2.864 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.407 -4.463 -5.200 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.483 -6.289 -3.716 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.984 -5.926 -4.544 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.184 -4.152 -7.140 1.00 0.57 N ATOM 1353 CA ARG A 91 -2.967 -3.545 -8.208 1.00 0.61 C ATOM 1354 C ARG A 91 -4.458 -3.678 -7.908 1.00 0.55 C ATOM 1355 O ARG A 91 -5.214 -2.707 -7.979 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.645 -4.221 -9.542 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.465 -3.697 -10.708 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.526 -4.713 -11.832 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.141 -5.967 -11.395 1.00 2.25 N ATOM 1360 CZ ARG A 91 -5.215 -6.510 -11.967 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -5.800 -5.903 -12.994 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -5.705 -7.657 -11.506 1.00 4.16 N ATOM 0 H ARG A 91 -1.541 -4.881 -7.450 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.711 -2.487 -8.272 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.587 -4.082 -9.763 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -2.813 -5.294 -9.445 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.474 -3.462 -10.370 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.028 -2.769 -11.076 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -4.094 -4.300 -12.665 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -2.519 -4.910 -12.199 1.00 1.44 H new ATOM 0 HE ARG A 91 -3.722 -6.455 -10.604 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -5.427 -5.021 -13.345 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -6.622 -6.319 -13.431 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -5.259 -8.121 -10.715 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -6.527 -8.073 -11.944 1.00 4.16 H new ATOM 1376 N GLU A 92 -4.859 -4.888 -7.533 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.251 -5.188 -7.218 1.00 0.61 C ATOM 1378 C GLU A 92 -6.717 -4.400 -5.997 1.00 0.51 C ATOM 1379 O GLU A 92 -7.861 -3.953 -5.925 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.403 -6.691 -6.975 1.00 0.74 C ATOM 1381 CG GLU A 92 -5.572 -7.211 -5.812 1.00 1.44 C ATOM 1382 CD GLU A 92 -5.487 -8.724 -5.780 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -4.728 -9.297 -6.588 1.00 2.68 O ATOM 1384 OE2 GLU A 92 -6.173 -9.349 -4.950 1.00 2.26 O ATOM 0 H GLU A 92 -4.231 -5.686 -7.439 1.00 0.57 H new ATOM 0 HA GLU A 92 -6.875 -4.893 -8.061 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -7.453 -6.915 -6.788 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.119 -7.227 -7.881 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -4.566 -6.797 -5.877 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -6.003 -6.856 -4.876 1.00 1.44 H new ATOM 1391 N THR A 93 -5.809 -4.225 -5.052 1.00 0.44 N ATOM 1392 CA THR A 93 -6.105 -3.533 -3.810 1.00 0.38 C ATOM 1393 C THR A 93 -6.265 -2.030 -4.031 1.00 0.33 C ATOM 1394 O THR A 93 -7.250 -1.435 -3.599 1.00 0.37 O ATOM 1395 CB THR A 93 -4.992 -3.775 -2.782 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.619 -5.158 -2.791 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.441 -3.373 -1.385 1.00 0.36 C ATOM 0 H THR A 93 -4.848 -4.558 -5.124 1.00 0.44 H new ATOM 0 HA THR A 93 -7.047 -3.932 -3.433 1.00 0.38 H new ATOM 0 HB THR A 93 -4.134 -3.161 -3.055 1.00 0.36 H new ATOM 0 HG1 THR A 93 -3.907 -5.309 -2.135 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.633 -3.555 -0.677 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.699 -2.314 -1.376 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.313 -3.961 -1.100 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.298 -1.429 -4.717 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.288 0.015 -4.938 1.00 0.39 C ATOM 1407 C ASP A 94 -6.544 0.444 -5.688 1.00 0.43 C ATOM 1408 O ASP A 94 -7.223 1.395 -5.300 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.040 0.420 -5.731 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.708 1.900 -5.611 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.632 2.721 -5.459 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -2.514 2.255 -5.684 1.00 1.18 O ATOM 0 H ASP A 94 -4.507 -1.922 -5.132 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.269 0.515 -3.970 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.190 -0.166 -5.382 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.189 0.172 -6.782 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.866 -0.289 -6.748 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.047 0.003 -7.551 1.00 0.49 C ATOM 1419 C GLU A 95 -9.327 -0.152 -6.731 1.00 0.45 C ATOM 1420 O GLU A 95 -10.292 0.592 -6.922 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.094 -0.911 -8.777 1.00 0.60 C ATOM 1422 CG GLU A 95 -6.929 -0.710 -9.733 1.00 0.72 C ATOM 1423 CD GLU A 95 -6.864 0.698 -10.283 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.691 1.048 -11.152 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -5.980 1.464 -9.849 1.00 1.94 O ATOM 0 H GLU A 95 -6.325 -1.091 -7.071 1.00 0.43 H new ATOM 0 HA GLU A 95 -7.980 1.040 -7.881 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.105 -1.949 -8.445 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.027 -0.737 -9.313 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -5.997 -0.938 -9.217 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.016 -1.415 -10.559 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.328 -1.111 -5.812 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.478 -1.338 -4.943 1.00 0.41 C ATOM 1434 C PHE A 96 -10.703 -0.136 -4.033 1.00 0.36 C ATOM 1435 O PHE A 96 -11.822 0.354 -3.897 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.278 -2.607 -4.109 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.384 -2.871 -3.127 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.617 -3.336 -3.560 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.192 -2.656 -1.772 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.635 -3.582 -2.660 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.207 -2.898 -0.867 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.430 -3.358 -1.309 1.00 0.72 C ATOM 0 H PHE A 96 -8.545 -1.744 -5.649 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.361 -1.470 -5.568 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.190 -3.461 -4.780 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.335 -2.529 -3.567 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.783 -3.508 -4.613 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.237 -2.295 -1.419 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.589 -3.948 -3.009 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.043 -2.727 0.187 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.226 -3.543 -0.603 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.632 0.336 -3.417 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.705 1.504 -2.549 1.00 0.32 C ATOM 1454 C PHE A 97 -10.077 2.760 -3.335 1.00 0.39 C ATOM 1455 O PHE A 97 -10.800 3.616 -2.823 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.388 1.700 -1.795 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.245 0.808 -0.589 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -7.679 -0.449 -0.716 1.00 0.37 C ATOM 1459 CD2 PHE A 97 -8.675 1.218 0.662 1.00 0.38 C ATOM 1460 CE1 PHE A 97 -7.540 -1.280 0.379 1.00 0.40 C ATOM 1461 CE2 PHE A 97 -8.539 0.391 1.763 1.00 0.41 C ATOM 1462 CZ PHE A 97 -7.991 -0.820 1.654 1.00 0.35 C ATOM 0 H PHE A 97 -8.700 -0.071 -3.501 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.495 1.328 -1.818 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.558 1.512 -2.476 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.312 2.740 -1.478 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -7.341 -0.785 -1.685 1.00 0.37 H new ATOM 0 HD2 PHE A 97 -9.122 2.194 0.780 1.00 0.38 H new ATOM 0 HE1 PHE A 97 -7.098 -2.260 0.273 1.00 0.40 H new ATOM 0 HE2 PHE A 97 -8.883 0.732 2.728 1.00 0.41 H new ATOM 0 HZ PHE A 97 -7.889 -1.450 2.525 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.591 2.872 -4.574 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.904 4.031 -5.415 1.00 0.53 C ATOM 1474 C LYS A 98 -11.410 4.190 -5.611 1.00 0.56 C ATOM 1475 O LYS A 98 -11.953 5.277 -5.414 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.245 3.922 -6.794 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.738 4.138 -6.803 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.239 4.374 -8.221 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.725 4.493 -8.287 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.054 3.193 -8.038 1.00 1.92 N ATOM 0 H LYS A 98 -8.984 2.181 -5.015 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.510 4.902 -4.892 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.458 2.936 -7.206 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.706 4.652 -7.460 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.484 4.992 -6.175 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.238 3.269 -6.376 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.565 3.553 -8.860 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -7.690 5.284 -8.616 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -5.433 4.870 -9.267 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -5.386 5.223 -7.551 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -4.031 3.296 -8.192 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.229 2.894 -7.057 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.432 2.477 -8.690 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.088 3.105 -5.979 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.531 3.159 -6.215 1.00 0.63 C ATOM 1496 C LYS A 99 -14.289 3.331 -4.902 1.00 0.63 C ATOM 1497 O LYS A 99 -15.429 3.793 -4.880 1.00 0.75 O ATOM 1498 CB LYS A 99 -14.027 1.903 -6.944 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.749 0.608 -6.202 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.595 -0.543 -6.726 1.00 0.76 C ATOM 1501 CE LYS A 99 -16.075 -0.324 -6.445 1.00 1.62 C ATOM 1502 NZ LYS A 99 -16.904 -1.478 -6.887 1.00 2.04 N ATOM 0 H LYS A 99 -11.668 2.186 -6.119 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.724 4.023 -6.851 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -15.101 1.992 -7.109 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.556 1.855 -7.926 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.693 0.355 -6.298 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.947 0.749 -5.140 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.440 -0.650 -7.800 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.270 -1.475 -6.263 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.221 -0.161 -5.377 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -16.411 0.579 -6.954 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -17.905 -1.287 -6.677 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -16.786 -1.619 -7.911 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -16.602 -2.336 -6.383 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.647 2.954 -3.807 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.247 3.082 -2.494 1.00 0.60 C ATOM 1518 C CYS A 100 -14.026 4.483 -1.931 1.00 0.61 C ATOM 1519 O CYS A 100 -14.686 4.891 -0.979 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.678 2.020 -1.550 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.082 0.325 -2.030 1.00 1.39 S ATOM 0 H CYS A 100 -12.708 2.556 -3.805 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.322 2.925 -2.586 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.594 2.127 -1.509 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -14.055 2.202 -0.544 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.156 -0.135 -2.818 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.103 5.216 -2.562 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.728 6.565 -2.138 1.00 0.65 C ATOM 1529 C ARG A 101 -12.235 6.577 -0.696 1.00 0.64 C ATOM 1530 O ARG A 101 -12.432 7.549 0.032 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.892 7.549 -2.307 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.119 7.991 -3.745 1.00 0.79 C ATOM 1533 CD ARG A 101 -12.862 8.607 -4.347 1.00 1.19 C ATOM 1534 NE ARG A 101 -12.266 9.621 -3.471 1.00 2.14 N ATOM 1535 CZ ARG A 101 -11.127 10.264 -3.734 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -10.509 10.084 -4.895 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -10.630 11.118 -2.846 1.00 4.09 N ATOM 0 H ARG A 101 -12.595 4.888 -3.383 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.911 6.887 -2.783 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.804 7.086 -1.931 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.704 8.429 -1.692 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.429 7.135 -4.345 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -14.933 8.716 -3.780 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -12.131 7.821 -4.540 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -13.106 9.058 -5.309 1.00 1.19 H new ATOM 0 HE ARG A 101 -12.754 9.849 -2.605 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -10.905 9.452 -5.591 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -9.638 10.578 -5.091 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -11.119 11.281 -1.966 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -9.759 11.611 -3.044 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.573 5.502 -0.300 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.078 5.370 1.058 1.00 0.57 C ATOM 1553 C VAL A 102 -9.595 5.003 1.039 1.00 0.49 C ATOM 1554 O VAL A 102 -9.124 4.316 0.132 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.900 4.325 1.852 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.793 2.949 1.219 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.477 4.283 3.314 1.00 1.42 C ATOM 0 H VAL A 102 -11.366 4.706 -0.903 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.193 6.328 1.564 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.945 4.633 1.816 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.380 2.236 1.798 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.173 2.988 0.198 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.749 2.634 1.206 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -12.073 3.540 3.844 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.422 4.017 3.380 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.633 5.262 3.766 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.863 5.486 2.029 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.418 5.328 2.069 1.00 0.50 C ATOM 1569 C ILE A 103 -7.021 4.010 2.735 1.00 0.43 C ATOM 1570 O ILE A 103 -7.545 3.655 3.793 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.768 6.511 2.825 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.162 7.834 2.159 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.252 6.364 2.865 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -6.612 9.060 2.856 1.00 1.33 C ATOM 0 H ILE A 103 -9.250 5.996 2.823 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.058 5.315 1.040 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.132 6.509 3.852 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -6.812 7.828 1.127 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -8.249 7.904 2.127 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.819 7.208 3.402 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -4.990 5.437 3.374 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.862 6.342 1.848 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -6.934 9.956 2.325 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.982 9.093 3.881 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -5.523 9.016 2.865 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.111 3.250 2.102 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.547 2.034 2.690 1.00 0.37 C ATOM 1588 C PRO A 104 -4.744 2.357 3.942 1.00 0.37 C ATOM 1589 O PRO A 104 -4.072 3.382 4.005 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.633 1.475 1.594 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.042 2.172 0.341 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.568 3.513 0.762 1.00 0.44 C ATOM 0 HA PRO A 104 -6.317 1.327 2.997 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.584 1.663 1.824 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -4.749 0.395 1.499 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.196 2.281 -0.338 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.806 1.603 -0.190 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.780 4.266 0.787 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.336 3.877 0.080 1.00 0.44 H new ATOM 1600 N SER A 105 -4.806 1.487 4.938 1.00 0.32 N ATOM 1601 CA SER A 105 -4.193 1.781 6.223 1.00 0.34 C ATOM 1602 C SER A 105 -3.873 0.495 6.966 1.00 0.34 C ATOM 1603 O SER A 105 -4.406 -0.568 6.627 1.00 0.33 O ATOM 1604 CB SER A 105 -5.134 2.641 7.079 1.00 0.43 C ATOM 1605 OG SER A 105 -5.636 3.748 6.350 1.00 1.42 O ATOM 0 H SER A 105 -5.270 0.580 4.883 1.00 0.32 H new ATOM 0 HA SER A 105 -3.269 2.329 6.041 1.00 0.34 H new ATOM 0 HB2 SER A 105 -5.965 2.031 7.433 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.601 2.997 7.961 1.00 0.43 H new ATOM 0 HG SER A 105 -6.232 4.274 6.923 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.013 0.599 7.970 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.696 -0.522 8.850 1.00 0.43 C ATOM 1613 C GLN A 106 -3.969 -1.095 9.487 1.00 0.45 C ATOM 1614 O GLN A 106 -4.043 -2.281 9.805 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.701 -0.083 9.926 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.351 0.337 9.370 1.00 0.68 C ATOM 1617 CD GLN A 106 0.567 0.910 10.434 1.00 0.96 C ATOM 1618 OE1 GLN A 106 1.788 0.775 10.355 1.00 1.66 O ATOM 1619 NE2 GLN A 106 -0.011 1.569 11.430 1.00 1.42 N ATOM 0 H GLN A 106 -2.516 1.460 8.199 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.237 -1.310 8.253 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.128 0.748 10.487 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.556 -0.902 10.631 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.130 -0.524 8.906 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.500 1.080 8.586 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -1.027 1.659 11.460 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.560 1.985 12.165 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.966 -0.237 9.665 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.280 -0.642 10.176 1.00 0.51 C ATOM 1630 C GLU A 107 -6.933 -1.705 9.289 1.00 0.42 C ATOM 1631 O GLU A 107 -7.703 -2.537 9.762 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.200 0.582 10.264 1.00 0.59 C ATOM 1633 CG GLU A 107 -7.010 1.423 11.519 1.00 1.41 C ATOM 1634 CD GLU A 107 -5.557 1.646 11.879 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -4.868 2.376 11.135 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -5.101 1.113 12.912 1.00 2.63 O ATOM 0 H GLU A 107 -4.892 0.760 9.461 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.131 -1.074 11.166 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.031 1.212 9.390 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -8.236 0.246 10.220 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -7.494 2.389 11.376 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -7.513 0.935 12.354 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.621 -1.670 8.003 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.247 -2.554 7.030 1.00 0.37 C ATOM 1645 C HIS A 108 -6.512 -3.889 6.921 1.00 0.46 C ATOM 1646 O HIS A 108 -7.026 -4.837 6.326 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.341 -1.851 5.672 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.315 -0.710 5.691 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.006 0.567 5.269 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.597 -0.660 6.119 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.053 1.349 5.446 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.034 0.631 5.962 1.00 0.52 N ATOM 0 H HIS A 108 -5.931 -1.033 7.605 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.256 -2.782 7.374 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.356 -1.481 5.387 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.643 -2.572 4.912 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.172 -1.485 6.512 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.100 2.401 5.208 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.962 0.978 6.204 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.303 -3.947 7.472 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.506 -5.177 7.473 1.00 0.70 C ATOM 1663 C LEU A 109 -5.255 -6.311 8.165 1.00 0.79 C ATOM 1664 O LEU A 109 -5.394 -6.311 9.387 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.181 -4.947 8.194 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.304 -3.836 7.625 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.115 -3.602 8.534 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.835 -4.189 6.225 1.00 0.67 C ATOM 0 H LEU A 109 -4.849 -3.154 7.926 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.319 -5.453 6.435 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.392 -4.720 9.239 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.613 -5.877 8.178 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.893 -2.921 7.567 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.493 -2.808 8.122 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.466 -3.312 9.524 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.530 -4.518 8.611 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.211 -3.384 5.837 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.257 -5.113 6.257 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.699 -4.324 5.575 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.745 -7.263 7.370 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.502 -8.415 7.880 1.00 1.67 C ATOM 1682 C ASN A 110 -7.756 -7.977 8.628 1.00 1.44 C ATOM 1683 O ASN A 110 -8.348 -8.750 9.384 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.624 -9.304 8.768 1.00 2.17 C ATOM 1685 CG ASN A 110 -4.668 -10.151 7.956 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -4.971 -10.536 6.826 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -3.510 -10.451 8.518 1.00 3.35 N ATOM 0 H ASN A 110 -5.631 -7.261 6.356 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.818 -9.001 7.017 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.057 -8.679 9.459 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -6.259 -9.952 9.372 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -2.831 -11.020 8.013 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.296 -10.113 9.456 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.168 -6.743 8.392 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.363 -6.224 9.010 1.00 1.12 C ATOM 1696 C GLY A 111 -10.499 -6.127 8.020 1.00 0.87 C ATOM 1697 O GLY A 111 -10.325 -6.473 6.845 1.00 0.93 O ATOM 0 H GLY A 111 -7.688 -6.087 7.776 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.655 -6.869 9.839 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.159 -5.239 9.429 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.675 -5.675 8.456 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.828 -5.512 7.573 1.00 0.93 C ATOM 1703 C PRO A 112 -12.589 -4.435 6.518 1.00 0.89 C ATOM 1704 O PRO A 112 -12.113 -3.339 6.832 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.955 -5.093 8.522 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.268 -4.530 9.718 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.978 -5.288 9.847 1.00 1.10 C ATOM 0 HA PRO A 112 -13.048 -6.422 7.014 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.607 -4.353 8.057 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -14.580 -5.944 8.791 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -13.083 -3.463 9.596 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.881 -4.647 10.612 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.188 -4.670 10.274 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -12.086 -6.159 10.493 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.887 -4.755 5.269 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.785 -3.778 4.202 1.00 0.58 C ATOM 1717 C LEU A 113 -14.000 -2.861 4.227 1.00 0.69 C ATOM 1718 O LEU A 113 -15.141 -3.320 4.336 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.646 -4.457 2.838 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.344 -5.234 2.624 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -11.257 -5.740 1.193 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.139 -4.367 2.969 1.00 1.05 C ATOM 0 H LEU A 113 -13.200 -5.679 4.972 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.886 -3.183 4.363 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.484 -5.141 2.704 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.728 -3.696 2.062 1.00 0.58 H new ATOM 0 HG LEU A 113 -11.341 -6.096 3.291 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -10.326 -6.290 1.058 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -12.101 -6.399 0.988 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.282 -4.894 0.506 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.223 -4.937 2.811 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.132 -3.484 2.331 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -10.199 -4.060 4.013 1.00 1.05 H new ATOM 1734 N PRO A 114 -13.753 -1.552 4.147 1.00 0.68 N ATOM 1735 CA PRO A 114 -14.791 -0.527 4.267 1.00 0.83 C ATOM 1736 C PRO A 114 -15.813 -0.582 3.144 1.00 0.86 C ATOM 1737 O PRO A 114 -15.498 -0.958 2.014 1.00 1.15 O ATOM 1738 CB PRO A 114 -14.013 0.790 4.199 1.00 1.02 C ATOM 1739 CG PRO A 114 -12.727 0.446 3.534 1.00 0.90 C ATOM 1740 CD PRO A 114 -12.425 -0.968 3.920 1.00 0.70 C ATOM 0 HA PRO A 114 -15.367 -0.658 5.183 1.00 0.83 H new ATOM 0 HB2 PRO A 114 -14.561 1.543 3.632 1.00 1.02 H new ATOM 0 HB3 PRO A 114 -13.845 1.200 5.195 1.00 1.02 H new ATOM 0 HG2 PRO A 114 -12.809 0.545 2.452 1.00 0.90 H new ATOM 0 HG3 PRO A 114 -11.930 1.116 3.856 1.00 0.90 H new ATOM 0 HD2 PRO A 114 -11.885 -1.493 3.132 1.00 0.70 H new ATOM 0 HD3 PRO A 114 -11.807 -1.016 4.816 1.00 0.70 H new ATOM 1748 N VAL A 115 -17.032 -0.188 3.461 1.00 1.26 N ATOM 1749 CA VAL A 115 -18.093 -0.126 2.478 1.00 1.45 C ATOM 1750 C VAL A 115 -18.765 1.249 2.520 1.00 1.91 C ATOM 1751 O VAL A 115 -19.780 1.459 3.184 1.00 2.44 O ATOM 1752 CB VAL A 115 -19.120 -1.270 2.673 1.00 1.96 C ATOM 1753 CG1 VAL A 115 -19.639 -1.319 4.108 1.00 2.60 C ATOM 1754 CG2 VAL A 115 -20.272 -1.145 1.683 1.00 2.98 C ATOM 0 H VAL A 115 -17.312 0.096 4.400 1.00 1.26 H new ATOM 0 HA VAL A 115 -17.655 -0.265 1.490 1.00 1.45 H new ATOM 0 HB VAL A 115 -18.604 -2.210 2.477 1.00 1.96 H new ATOM 0 HG11 VAL A 115 -20.357 -2.133 4.208 1.00 2.60 H new ATOM 0 HG12 VAL A 115 -18.806 -1.484 4.791 1.00 2.60 H new ATOM 0 HG13 VAL A 115 -20.126 -0.374 4.351 1.00 2.60 H new ATOM 0 HG21 VAL A 115 -20.978 -1.960 1.842 1.00 2.98 H new ATOM 0 HG22 VAL A 115 -20.779 -0.192 1.833 1.00 2.98 H new ATOM 0 HG23 VAL A 115 -19.884 -1.194 0.665 1.00 2.98 H new ATOM 1764 N PRO A 116 -18.167 2.223 1.831 1.00 2.53 N ATOM 1765 CA PRO A 116 -18.653 3.594 1.794 1.00 3.48 C ATOM 1766 C PRO A 116 -19.678 3.807 0.692 1.00 3.68 C ATOM 1767 O PRO A 116 -20.137 4.928 0.461 1.00 3.90 O ATOM 1768 CB PRO A 116 -17.380 4.413 1.520 1.00 4.23 C ATOM 1769 CG PRO A 116 -16.283 3.417 1.272 1.00 4.01 C ATOM 1770 CD PRO A 116 -16.945 2.087 1.047 1.00 2.94 C ATOM 0 HA PRO A 116 -19.164 3.877 2.714 1.00 3.48 H new ATOM 0 HB2 PRO A 116 -17.515 5.065 0.657 1.00 4.23 H new ATOM 0 HB3 PRO A 116 -17.139 5.053 2.369 1.00 4.23 H new ATOM 0 HG2 PRO A 116 -15.689 3.705 0.404 1.00 4.01 H new ATOM 0 HG3 PRO A 116 -15.603 3.371 2.123 1.00 4.01 H new ATOM 0 HD2 PRO A 116 -17.154 1.908 -0.008 1.00 2.94 H new ATOM 0 HD3 PRO A 116 -16.327 1.259 1.394 1.00 2.94 H new ATOM 1778 N PHE A 117 -20.033 2.703 0.047 1.00 4.03 N ATOM 1779 CA PHE A 117 -20.978 2.674 -1.066 1.00 4.72 C ATOM 1780 C PHE A 117 -20.461 3.451 -2.277 1.00 5.62 C ATOM 1781 O PHE A 117 -20.128 2.854 -3.302 1.00 6.22 O ATOM 1782 CB PHE A 117 -22.345 3.201 -0.629 1.00 5.32 C ATOM 1783 CG PHE A 117 -22.989 2.364 0.440 1.00 5.77 C ATOM 1784 CD1 PHE A 117 -23.703 1.224 0.108 1.00 6.08 C ATOM 1785 CD2 PHE A 117 -22.878 2.714 1.776 1.00 6.27 C ATOM 1786 CE1 PHE A 117 -24.291 0.448 1.087 1.00 6.87 C ATOM 1787 CE2 PHE A 117 -23.463 1.941 2.759 1.00 7.04 C ATOM 1788 CZ PHE A 117 -24.171 0.807 2.415 1.00 7.33 C ATOM 0 H PHE A 117 -19.665 1.782 0.287 1.00 4.03 H new ATOM 0 HA PHE A 117 -21.087 1.633 -1.371 1.00 4.72 H new ATOM 0 HB2 PHE A 117 -22.234 4.222 -0.264 1.00 5.32 H new ATOM 0 HB3 PHE A 117 -23.005 3.243 -1.496 1.00 5.32 H new ATOM 0 HD1 PHE A 117 -23.801 0.939 -0.929 1.00 6.08 H new ATOM 0 HD2 PHE A 117 -22.328 3.601 2.052 1.00 6.27 H new ATOM 0 HE1 PHE A 117 -24.844 -0.439 0.814 1.00 6.87 H new ATOM 0 HE2 PHE A 117 -23.367 2.223 3.797 1.00 7.04 H new ATOM 0 HZ PHE A 117 -24.630 0.202 3.183 1.00 7.33 H new ATOM 1798 N THR A 118 -20.390 4.771 -2.147 1.00 6.05 N ATOM 1799 CA THR A 118 -19.941 5.641 -3.228 1.00 7.13 C ATOM 1800 C THR A 118 -20.838 5.467 -4.453 1.00 7.53 C ATOM 1801 O THR A 118 -20.394 5.070 -5.536 1.00 8.01 O ATOM 1802 CB THR A 118 -18.464 5.368 -3.597 1.00 8.07 C ATOM 1803 OG1 THR A 118 -17.672 5.293 -2.401 1.00 8.43 O ATOM 1804 CG2 THR A 118 -17.910 6.470 -4.492 1.00 8.78 C ATOM 0 H THR A 118 -20.641 5.267 -1.292 1.00 6.05 H new ATOM 0 HA THR A 118 -20.011 6.672 -2.881 1.00 7.13 H new ATOM 0 HB THR A 118 -18.419 4.422 -4.137 1.00 8.07 H new ATOM 0 HG1 THR A 118 -16.776 4.963 -2.622 1.00 8.43 H new ATOM 0 HG21 THR A 118 -16.870 6.252 -4.736 1.00 8.78 H new ATOM 0 HG22 THR A 118 -18.495 6.521 -5.410 1.00 8.78 H new ATOM 0 HG23 THR A 118 -17.968 7.426 -3.971 1.00 8.78 H new ATOM 1812 N ASN A 119 -22.120 5.742 -4.263 1.00 7.62 N ATOM 1813 CA ASN A 119 -23.092 5.624 -5.339 1.00 8.32 C ATOM 1814 C ASN A 119 -23.281 6.974 -6.004 1.00 9.00 C ATOM 1815 O ASN A 119 -23.730 7.064 -7.145 1.00 9.23 O ATOM 1816 CB ASN A 119 -24.437 5.106 -4.817 1.00 8.46 C ATOM 1817 CG ASN A 119 -24.340 3.733 -4.177 1.00 8.93 C ATOM 1818 OD1 ASN A 119 -23.478 2.927 -4.527 1.00 9.34 O ATOM 1819 ND2 ASN A 119 -25.234 3.454 -3.242 1.00 9.14 N ATOM 0 H ASN A 119 -22.511 6.049 -3.372 1.00 7.62 H new ATOM 0 HA ASN A 119 -22.713 4.906 -6.067 1.00 8.32 H new ATOM 0 HB2 ASN A 119 -24.833 5.813 -4.088 1.00 8.46 H new ATOM 0 HB3 ASN A 119 -25.149 5.066 -5.642 1.00 8.46 H new ATOM 0 HD21 ASN A 119 -25.225 2.543 -2.783 1.00 9.14 H new ATOM 0 HD22 ASN A 119 -25.932 4.150 -2.980 1.00 9.14 H new ATOM 1826 N GLY A 120 -22.930 8.025 -5.280 1.00 9.55 N ATOM 1827 CA GLY A 120 -23.036 9.362 -5.815 1.00 10.42 C ATOM 1828 C GLY A 120 -21.854 9.717 -6.689 1.00 11.21 C ATOM 1829 O GLY A 120 -20.748 9.220 -6.476 1.00 11.55 O ATOM 0 H GLY A 120 -22.572 7.973 -4.326 1.00 9.55 H new ATOM 0 HA2 GLY A 120 -23.955 9.449 -6.395 1.00 10.42 H new ATOM 0 HA3 GLY A 120 -23.108 10.076 -4.995 1.00 10.42 H new ATOM 1833 N GLU A 121 -22.092 10.564 -7.678 1.00 11.70 N ATOM 1834 CA GLU A 121 -21.043 11.005 -8.585 1.00 12.64 C ATOM 1835 C GLU A 121 -20.112 11.990 -7.881 1.00 13.44 C ATOM 1836 O GLU A 121 -20.485 13.139 -7.623 1.00 13.92 O ATOM 1837 CB GLU A 121 -21.669 11.651 -9.820 1.00 12.94 C ATOM 1838 CG GLU A 121 -20.659 12.106 -10.858 1.00 12.93 C ATOM 1839 CD GLU A 121 -21.321 12.734 -12.063 1.00 13.41 C ATOM 1840 OE1 GLU A 121 -21.595 13.952 -12.030 1.00 13.66 O ATOM 1841 OE2 GLU A 121 -21.556 12.018 -13.057 1.00 13.68 O ATOM 0 H GLU A 121 -23.010 10.963 -7.874 1.00 11.70 H new ATOM 0 HA GLU A 121 -20.455 10.142 -8.896 1.00 12.64 H new ATOM 0 HB2 GLU A 121 -22.354 10.940 -10.282 1.00 12.94 H new ATOM 0 HB3 GLU A 121 -22.264 12.509 -9.507 1.00 12.94 H new ATOM 0 HG2 GLU A 121 -19.975 12.824 -10.406 1.00 12.93 H new ATOM 0 HG3 GLU A 121 -20.060 11.253 -11.178 1.00 12.93 H new ATOM 1848 N ILE A 122 -18.912 11.529 -7.557 1.00 13.73 N ATOM 1849 CA ILE A 122 -17.928 12.354 -6.872 1.00 14.64 C ATOM 1850 C ILE A 122 -16.721 12.598 -7.769 1.00 15.74 C ATOM 1851 O ILE A 122 -15.928 11.689 -8.025 1.00 16.21 O ATOM 1852 CB ILE A 122 -17.454 11.691 -5.559 1.00 14.54 C ATOM 1853 CG1 ILE A 122 -18.650 11.374 -4.657 1.00 14.04 C ATOM 1854 CG2 ILE A 122 -16.468 12.599 -4.834 1.00 14.69 C ATOM 1855 CD1 ILE A 122 -18.288 10.580 -3.418 1.00 14.09 C ATOM 0 H ILE A 122 -18.595 10.581 -7.760 1.00 13.73 H new ATOM 0 HA ILE A 122 -18.408 13.303 -6.634 1.00 14.64 H new ATOM 0 HB ILE A 122 -16.950 10.756 -5.805 1.00 14.54 H new ATOM 0 HG12 ILE A 122 -19.122 12.308 -4.353 1.00 14.04 H new ATOM 0 HG13 ILE A 122 -19.389 10.816 -5.232 1.00 14.04 H new ATOM 0 HG21 ILE A 122 -16.143 12.119 -3.911 1.00 14.69 H new ATOM 0 HG22 ILE A 122 -15.604 12.781 -5.473 1.00 14.69 H new ATOM 0 HG23 ILE A 122 -16.952 13.547 -4.599 1.00 14.69 H new ATOM 0 HD11 ILE A 122 -19.186 10.394 -2.829 1.00 14.09 H new ATOM 0 HD12 ILE A 122 -17.844 9.629 -3.712 1.00 14.09 H new ATOM 0 HD13 ILE A 122 -17.573 11.145 -2.820 1.00 14.09 H new ATOM 1867 N GLN A 123 -16.582 13.825 -8.240 1.00 16.25 N ATOM 1868 CA GLN A 123 -15.478 14.184 -9.116 1.00 17.37 C ATOM 1869 C GLN A 123 -14.737 15.399 -8.565 1.00 18.25 C ATOM 1870 O GLN A 123 -15.055 16.539 -8.902 1.00 18.70 O ATOM 1871 CB GLN A 123 -15.993 14.469 -10.529 1.00 17.69 C ATOM 1872 CG GLN A 123 -14.890 14.797 -11.521 1.00 18.12 C ATOM 1873 CD GLN A 123 -15.417 15.141 -12.901 1.00 18.49 C ATOM 1874 OE1 GLN A 123 -14.818 15.937 -13.622 1.00 18.82 O ATOM 1875 NE2 GLN A 123 -16.531 14.536 -13.286 1.00 18.57 N ATOM 0 H GLN A 123 -17.221 14.592 -8.030 1.00 16.25 H new ATOM 0 HA GLN A 123 -14.783 13.346 -9.162 1.00 17.37 H new ATOM 0 HB2 GLN A 123 -16.547 13.601 -10.887 1.00 17.69 H new ATOM 0 HB3 GLN A 123 -16.695 15.302 -10.490 1.00 17.69 H new ATOM 0 HG2 GLN A 123 -14.306 15.635 -11.142 1.00 18.12 H new ATOM 0 HG3 GLN A 123 -14.213 13.946 -11.598 1.00 18.12 H new ATOM 0 HE21 GLN A 123 -16.999 13.882 -12.659 1.00 18.57 H new ATOM 0 HE22 GLN A 123 -16.921 14.724 -14.210 1.00 18.57 H new ATOM 1884 N LYS A 124 -13.762 15.151 -7.703 1.00 18.59 N ATOM 1885 CA LYS A 124 -12.978 16.227 -7.118 1.00 19.51 C ATOM 1886 C LYS A 124 -11.622 16.342 -7.805 1.00 20.23 C ATOM 1887 O LYS A 124 -10.912 15.348 -7.991 1.00 20.83 O ATOM 1888 CB LYS A 124 -12.812 16.017 -5.609 1.00 19.61 C ATOM 1889 CG LYS A 124 -12.302 14.637 -5.225 1.00 19.54 C ATOM 1890 CD LYS A 124 -12.245 14.463 -3.715 1.00 19.77 C ATOM 1891 CE LYS A 124 -13.615 14.641 -3.076 1.00 20.14 C ATOM 1892 NZ LYS A 124 -13.580 14.428 -1.605 1.00 20.17 N ATOM 0 H LYS A 124 -13.496 14.216 -7.394 1.00 18.59 H new ATOM 0 HA LYS A 124 -13.514 17.164 -7.272 1.00 19.51 H new ATOM 0 HB2 LYS A 124 -12.122 16.768 -5.223 1.00 19.61 H new ATOM 0 HB3 LYS A 124 -13.772 16.186 -5.122 1.00 19.61 H new ATOM 0 HG2 LYS A 124 -12.952 13.875 -5.656 1.00 19.54 H new ATOM 0 HG3 LYS A 124 -11.309 14.485 -5.647 1.00 19.54 H new ATOM 0 HD2 LYS A 124 -11.858 13.472 -3.477 1.00 19.77 H new ATOM 0 HD3 LYS A 124 -11.549 15.187 -3.291 1.00 19.77 H new ATOM 0 HE2 LYS A 124 -13.985 15.644 -3.288 1.00 20.14 H new ATOM 0 HE3 LYS A 124 -14.318 13.940 -3.526 1.00 20.14 H new ATOM 0 HZ1 LYS A 124 -14.534 14.559 -1.212 1.00 20.17 H new ATOM 0 HZ2 LYS A 124 -13.252 13.462 -1.402 1.00 20.17 H new ATOM 0 HZ3 LYS A 124 -12.930 15.113 -1.170 1.00 20.17 H new ATOM 1906 N GLU A 125 -11.283 17.555 -8.204 1.00 20.28 N ATOM 1907 CA GLU A 125 -10.033 17.817 -8.897 1.00 21.04 C ATOM 1908 C GLU A 125 -8.931 18.172 -7.907 1.00 21.94 C ATOM 1909 O GLU A 125 -9.199 18.634 -6.799 1.00 22.50 O ATOM 1910 CB GLU A 125 -10.211 18.954 -9.904 1.00 20.98 C ATOM 1911 CG GLU A 125 -10.705 20.249 -9.281 1.00 20.93 C ATOM 1912 CD GLU A 125 -10.753 21.392 -10.269 1.00 21.01 C ATOM 1913 OE1 GLU A 125 -11.712 21.454 -11.066 1.00 21.38 O ATOM 1914 OE2 GLU A 125 -9.827 22.229 -10.264 1.00 20.79 O ATOM 0 H GLU A 125 -11.862 18.382 -8.058 1.00 20.28 H new ATOM 0 HA GLU A 125 -9.745 16.911 -9.430 1.00 21.04 H new ATOM 0 HB2 GLU A 125 -9.259 19.140 -10.401 1.00 20.98 H new ATOM 0 HB3 GLU A 125 -10.916 18.639 -10.674 1.00 20.98 H new ATOM 0 HG2 GLU A 125 -11.701 20.091 -8.866 1.00 20.93 H new ATOM 0 HG3 GLU A 125 -10.053 20.519 -8.450 1.00 20.93 H new ATOM 1921 N ASN A 126 -7.693 17.944 -8.313 1.00 22.18 N ATOM 1922 CA ASN A 126 -6.543 18.287 -7.492 1.00 23.12 C ATOM 1923 C ASN A 126 -5.715 19.369 -8.165 1.00 23.54 C ATOM 1924 O ASN A 126 -4.583 19.130 -8.589 1.00 23.81 O ATOM 1925 CB ASN A 126 -5.677 17.055 -7.212 1.00 23.38 C ATOM 1926 CG ASN A 126 -6.223 16.189 -6.094 1.00 23.74 C ATOM 1927 OD1 ASN A 126 -5.902 16.395 -4.921 1.00 23.88 O ATOM 1928 ND2 ASN A 126 -7.034 15.203 -6.444 1.00 23.99 N ATOM 0 H ASN A 126 -7.458 17.521 -9.211 1.00 22.18 H new ATOM 0 HA ASN A 126 -6.912 18.666 -6.539 1.00 23.12 H new ATOM 0 HB2 ASN A 126 -5.599 16.459 -8.121 1.00 23.38 H new ATOM 0 HB3 ASN A 126 -4.668 17.378 -6.955 1.00 23.38 H new ATOM 0 HD21 ASN A 126 -7.417 14.581 -5.732 1.00 23.99 H new ATOM 0 HD22 ASN A 126 -7.276 15.065 -7.425 1.00 23.99 H new ATOM 1935 N SER A 127 -6.292 20.555 -8.278 1.00 23.70 N ATOM 1936 CA SER A 127 -5.593 21.697 -8.836 1.00 24.19 C ATOM 1937 C SER A 127 -4.705 22.331 -7.772 1.00 24.67 C ATOM 1938 O SER A 127 -5.136 23.199 -7.010 1.00 25.00 O ATOM 1939 CB SER A 127 -6.605 22.699 -9.397 1.00 24.36 C ATOM 1940 OG SER A 127 -7.807 22.685 -8.644 1.00 24.58 O ATOM 0 H SER A 127 -7.250 20.750 -7.988 1.00 23.70 H new ATOM 0 HA SER A 127 -4.952 21.373 -9.656 1.00 24.19 H new ATOM 0 HB2 SER A 127 -6.175 23.701 -9.384 1.00 24.36 H new ATOM 0 HB3 SER A 127 -6.821 22.458 -10.438 1.00 24.36 H new ATOM 0 HG SER A 127 -8.532 22.316 -9.191 1.00 24.58 H new ATOM 1946 N ARG A 128 -3.462 21.866 -7.712 1.00 24.79 N ATOM 1947 CA ARG A 128 -2.528 22.296 -6.685 1.00 25.33 C ATOM 1948 C ARG A 128 -1.671 23.454 -7.183 1.00 25.41 C ATOM 1949 O ARG A 128 -0.582 23.201 -7.739 1.00 25.41 O ATOM 1950 CB ARG A 128 -1.638 21.125 -6.263 1.00 25.71 C ATOM 1951 CG ARG A 128 -2.415 19.906 -5.797 1.00 25.88 C ATOM 1952 CD ARG A 128 -3.250 20.207 -4.563 1.00 26.27 C ATOM 1953 NE ARG A 128 -4.052 19.056 -4.153 1.00 26.63 N ATOM 1954 CZ ARG A 128 -4.414 18.812 -2.894 1.00 27.12 C ATOM 1955 NH1 ARG A 128 -4.045 19.639 -1.923 1.00 27.29 N ATOM 1956 NH2 ARG A 128 -5.151 17.744 -2.612 1.00 27.52 N ATOM 1957 OXT ARG A 128 -2.098 24.614 -7.025 1.00 25.55 O ATOM 0 H ARG A 128 -3.079 21.186 -8.369 1.00 24.79 H new ATOM 0 HA ARG A 128 -3.099 22.639 -5.822 1.00 25.33 H new ATOM 0 HB2 ARG A 128 -1.003 20.841 -7.102 1.00 25.71 H new ATOM 0 HB3 ARG A 128 -0.977 21.453 -5.460 1.00 25.71 H new ATOM 0 HG2 ARG A 128 -3.065 19.560 -6.601 1.00 25.88 H new ATOM 0 HG3 ARG A 128 -1.721 19.095 -5.577 1.00 25.88 H new ATOM 0 HD2 ARG A 128 -2.594 20.502 -3.744 1.00 26.27 H new ATOM 0 HD3 ARG A 128 -3.907 21.053 -4.767 1.00 26.27 H new ATOM 0 HE ARG A 128 -4.353 18.400 -4.874 1.00 26.63 H new ATOM 0 HH11 ARG A 128 -3.484 20.462 -2.140 1.00 27.29 H new ATOM 0 HH12 ARG A 128 -4.323 19.451 -0.960 1.00 27.29 H new ATOM 0 HH21 ARG A 128 -5.439 17.112 -3.359 1.00 27.52 H new ATOM 0 HH22 ARG A 128 -5.429 17.556 -1.649 1.00 27.52 H new TER 1971 ARG A 128