USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 949 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 101 ASN : amide:sc= 1.12 K(o=2.1,f=-3) USER MOD Set 1.2: A 108 SER OG : rot 58:sc= 1.02 USER MOD Set 2.1: A 22 ASN : amide:sc= 0.00252 X(o=-0.42,f=-0.43) USER MOD Set 2.2: A 96 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.9) USER MOD Single : A 5 MET CE :methyl 178:sc= -0.126 (180deg=-0.133) USER MOD Single : A 7 MET CE :methyl -178:sc= -0.763 (180deg=-0.781) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.664) USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= 0.501 (180deg=-0.545) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 24 THR OG1 : rot -56:sc= 0.684 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 72:sc= 0.318 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 44 TYR OH : rot -8:sc= 0.0601 USER MOD Single : A 45 THR OG1 : rot 41:sc= 0.269 USER MOD Single : A 48 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 49 SER OG : rot 180:sc=9.58e-05 USER MOD Single : A 51 GLN : amide:sc= -0.977 K(o=-0.98,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0796 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.36!) USER MOD Single : A 63 SER OG : rot 71:sc= -2.55! USER MOD Single : A 68 SER OG : rot 15:sc= 0.711 USER MOD Single : A 69 SER OG : rot -29:sc= 0.271 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.31) USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= 1.32 (180deg=0.576) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -97:sc= 0.601 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 87 SER OG : rot -77:sc= 0.969 USER MOD Single : A 89 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.036) USER MOD Single : A 90 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= -0.0113 (180deg=-0.102) USER MOD Single : A 98 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 99 CYS SG : rot 69:sc= -6.57! USER MOD Single : A 104 SER OG : rot 180:sc= -0.187 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0173) USER MOD Single : A 116 CYS SG : rot 61:sc= -1.45 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.272 10.425 -7.308 1.00 0.61 N ATOM 2 CA ALA A 4 4.473 9.299 -6.860 1.00 0.53 C ATOM 3 C ALA A 4 4.644 8.114 -7.801 1.00 0.44 C ATOM 4 O ALA A 4 4.222 8.156 -8.959 1.00 0.54 O ATOM 5 CB ALA A 4 3.008 9.695 -6.745 1.00 0.64 C ATOM 0 HA ALA A 4 4.821 9.000 -5.871 1.00 0.53 H new ATOM 0 HB1 ALA A 4 2.425 8.838 -6.408 1.00 0.64 H new ATOM 0 HB2 ALA A 4 2.906 10.508 -6.027 1.00 0.64 H new ATOM 0 HB3 ALA A 4 2.642 10.023 -7.718 1.00 0.64 H new ATOM 11 N MET A 5 5.274 7.070 -7.298 1.00 0.39 N ATOM 12 CA MET A 5 5.550 5.871 -8.076 1.00 0.37 C ATOM 13 C MET A 5 4.497 4.806 -7.774 1.00 0.30 C ATOM 14 O MET A 5 4.342 4.408 -6.628 1.00 0.29 O ATOM 15 CB MET A 5 6.945 5.360 -7.703 1.00 0.43 C ATOM 16 CG MET A 5 7.581 4.430 -8.726 1.00 1.01 C ATOM 17 SD MET A 5 6.847 2.784 -8.756 1.00 1.80 S ATOM 18 CE MET A 5 7.863 1.987 -9.996 1.00 1.60 C ATOM 0 H MET A 5 5.611 7.026 -6.336 1.00 0.39 H new ATOM 0 HA MET A 5 5.515 6.097 -9.142 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.602 6.217 -7.554 1.00 0.43 H new ATOM 0 HB3 MET A 5 6.882 4.838 -6.748 1.00 0.43 H new ATOM 0 HG2 MET A 5 7.492 4.877 -9.716 1.00 1.01 H new ATOM 0 HG3 MET A 5 8.646 4.340 -8.511 1.00 1.01 H new ATOM 0 HE1 MET A 5 7.556 0.947 -10.105 1.00 1.60 H new ATOM 0 HE2 MET A 5 7.744 2.502 -10.949 1.00 1.60 H new ATOM 0 HE3 MET A 5 8.908 2.026 -9.690 1.00 1.60 H new ATOM 28 N PRO A 6 3.751 4.340 -8.788 1.00 0.30 N ATOM 29 CA PRO A 6 2.706 3.320 -8.600 1.00 0.28 C ATOM 30 C PRO A 6 3.238 2.091 -7.863 1.00 0.27 C ATOM 31 O PRO A 6 4.115 1.393 -8.369 1.00 0.30 O ATOM 32 CB PRO A 6 2.310 2.951 -10.032 1.00 0.32 C ATOM 33 CG PRO A 6 2.662 4.150 -10.842 1.00 0.47 C ATOM 34 CD PRO A 6 3.878 4.750 -10.197 1.00 0.36 C ATOM 0 HA PRO A 6 1.876 3.686 -7.996 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.848 2.068 -10.377 1.00 0.32 H new ATOM 0 HB3 PRO A 6 1.246 2.724 -10.103 1.00 0.32 H new ATOM 0 HG2 PRO A 6 2.866 3.874 -11.877 1.00 0.47 H new ATOM 0 HG3 PRO A 6 1.838 4.864 -10.859 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.798 4.373 -10.644 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.894 5.835 -10.300 1.00 0.36 H new ATOM 42 N MET A 7 2.692 1.820 -6.680 1.00 0.24 N ATOM 43 CA MET A 7 3.226 0.769 -5.813 1.00 0.24 C ATOM 44 C MET A 7 3.099 -0.610 -6.451 1.00 0.28 C ATOM 45 O MET A 7 3.937 -1.475 -6.224 1.00 0.32 O ATOM 46 CB MET A 7 2.531 0.791 -4.454 1.00 0.22 C ATOM 47 CG MET A 7 3.251 1.649 -3.427 1.00 0.31 C ATOM 48 SD MET A 7 4.808 0.917 -2.883 1.00 0.62 S ATOM 49 CE MET A 7 4.221 -0.542 -2.026 1.00 0.63 C ATOM 0 H MET A 7 1.883 2.311 -6.299 1.00 0.24 H new ATOM 0 HA MET A 7 4.288 0.971 -5.671 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.514 1.162 -4.579 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.454 -0.228 -4.076 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.445 2.633 -3.853 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.602 1.798 -2.564 1.00 0.31 H new ATOM 0 HE1 MET A 7 5.069 -1.081 -1.602 1.00 0.63 H new ATOM 0 HE2 MET A 7 3.542 -0.246 -1.226 1.00 0.63 H new ATOM 0 HE3 MET A 7 3.694 -1.189 -2.728 1.00 0.63 H new ATOM 59 N ILE A 8 2.057 -0.819 -7.249 1.00 0.29 N ATOM 60 CA ILE A 8 1.901 -2.084 -7.959 1.00 0.33 C ATOM 61 C ILE A 8 3.021 -2.244 -8.987 1.00 0.36 C ATOM 62 O ILE A 8 3.570 -3.335 -9.161 1.00 0.39 O ATOM 63 CB ILE A 8 0.522 -2.197 -8.653 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.607 -2.230 -7.616 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.457 -3.430 -9.545 1.00 0.47 C ATOM 66 CD1 ILE A 8 -0.597 -3.463 -6.731 1.00 0.51 C ATOM 0 H ILE A 8 1.316 -0.139 -7.419 1.00 0.29 H new ATOM 0 HA ILE A 8 1.961 -2.885 -7.222 1.00 0.33 H new ATOM 0 HB ILE A 8 0.392 -1.315 -9.280 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.534 -1.343 -6.987 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.564 -2.175 -8.134 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.523 -3.484 -10.020 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.229 -3.365 -10.312 1.00 0.47 H new ATOM 0 HG23 ILE A 8 0.618 -4.324 -8.942 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -1.426 -3.411 -6.025 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -0.702 -4.355 -7.349 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.344 -3.510 -6.183 1.00 0.51 H new ATOM 78 N GLU A 9 3.381 -1.143 -9.641 1.00 0.38 N ATOM 79 CA GLU A 9 4.486 -1.148 -10.591 1.00 0.42 C ATOM 80 C GLU A 9 5.798 -1.362 -9.839 1.00 0.39 C ATOM 81 O GLU A 9 6.683 -2.077 -10.301 1.00 0.39 O ATOM 82 CB GLU A 9 4.538 0.166 -11.379 1.00 0.50 C ATOM 83 CG GLU A 9 5.461 0.106 -12.584 1.00 0.66 C ATOM 84 CD GLU A 9 5.684 1.458 -13.229 1.00 0.86 C ATOM 85 OE1 GLU A 9 4.725 2.026 -13.786 1.00 0.83 O ATOM 86 OE2 GLU A 9 6.832 1.950 -13.201 1.00 1.72 O ATOM 0 H GLU A 9 2.924 -0.238 -9.530 1.00 0.38 H new ATOM 0 HA GLU A 9 4.334 -1.960 -11.302 1.00 0.42 H new ATOM 0 HB2 GLU A 9 3.532 0.422 -11.712 1.00 0.50 H new ATOM 0 HB3 GLU A 9 4.868 0.966 -10.717 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.422 -0.307 -12.278 1.00 0.66 H new ATOM 0 HG3 GLU A 9 5.041 -0.577 -13.322 1.00 0.66 H new ATOM 93 N TYR A 10 5.900 -0.732 -8.670 1.00 0.41 N ATOM 94 CA TYR A 10 7.041 -0.914 -7.775 1.00 0.42 C ATOM 95 C TYR A 10 7.206 -2.394 -7.436 1.00 0.43 C ATOM 96 O TYR A 10 8.316 -2.933 -7.447 1.00 0.45 O ATOM 97 CB TYR A 10 6.824 -0.088 -6.495 1.00 0.43 C ATOM 98 CG TYR A 10 7.946 -0.162 -5.481 1.00 0.44 C ATOM 99 CD1 TYR A 10 9.094 0.607 -5.625 1.00 0.47 C ATOM 100 CD2 TYR A 10 7.845 -0.986 -4.364 1.00 0.43 C ATOM 101 CE1 TYR A 10 10.113 0.552 -4.693 1.00 0.50 C ATOM 102 CE2 TYR A 10 8.859 -1.046 -3.428 1.00 0.45 C ATOM 103 CZ TYR A 10 9.989 -0.273 -3.595 1.00 0.47 C ATOM 104 OH TYR A 10 11.006 -0.338 -2.668 1.00 0.51 O ATOM 0 H TYR A 10 5.196 -0.083 -8.318 1.00 0.41 H new ATOM 0 HA TYR A 10 7.950 -0.570 -8.268 1.00 0.42 H new ATOM 0 HB2 TYR A 10 6.678 0.955 -6.776 1.00 0.43 H new ATOM 0 HB3 TYR A 10 5.902 -0.422 -6.018 1.00 0.43 H new ATOM 0 HD1 TYR A 10 9.192 1.259 -6.480 1.00 0.47 H new ATOM 0 HD2 TYR A 10 6.959 -1.588 -4.227 1.00 0.43 H new ATOM 0 HE1 TYR A 10 11.002 1.152 -4.824 1.00 0.50 H new ATOM 0 HE2 TYR A 10 8.767 -1.695 -2.570 1.00 0.45 H new ATOM 0 HH TYR A 10 10.760 -0.965 -1.956 1.00 0.51 H new ATOM 114 N LEU A 11 6.083 -3.048 -7.162 1.00 0.43 N ATOM 115 CA LEU A 11 6.074 -4.471 -6.868 1.00 0.46 C ATOM 116 C LEU A 11 6.487 -5.277 -8.094 1.00 0.44 C ATOM 117 O LEU A 11 7.369 -6.126 -8.012 1.00 0.48 O ATOM 118 CB LEU A 11 4.683 -4.906 -6.403 1.00 0.50 C ATOM 119 CG LEU A 11 4.186 -4.220 -5.131 1.00 0.58 C ATOM 120 CD1 LEU A 11 2.733 -4.580 -4.859 1.00 0.66 C ATOM 121 CD2 LEU A 11 5.062 -4.602 -3.948 1.00 0.77 C ATOM 0 H LEU A 11 5.162 -2.609 -7.138 1.00 0.43 H new ATOM 0 HA LEU A 11 6.792 -4.660 -6.070 1.00 0.46 H new ATOM 0 HB2 LEU A 11 3.971 -4.712 -7.205 1.00 0.50 H new ATOM 0 HB3 LEU A 11 4.692 -5.983 -6.238 1.00 0.50 H new ATOM 0 HG LEU A 11 4.248 -3.141 -5.274 1.00 0.58 H new ATOM 0 HD11 LEU A 11 2.399 -4.081 -3.949 1.00 0.66 H new ATOM 0 HD12 LEU A 11 2.115 -4.258 -5.697 1.00 0.66 H new ATOM 0 HD13 LEU A 11 2.643 -5.659 -4.735 1.00 0.66 H new ATOM 0 HD21 LEU A 11 4.696 -4.106 -3.049 1.00 0.77 H new ATOM 0 HD22 LEU A 11 5.030 -5.682 -3.805 1.00 0.77 H new ATOM 0 HD23 LEU A 11 6.089 -4.292 -4.141 1.00 0.77 H new ATOM 133 N GLU A 12 5.881 -4.976 -9.233 1.00 0.40 N ATOM 134 CA GLU A 12 6.148 -5.712 -10.463 1.00 0.40 C ATOM 135 C GLU A 12 7.609 -5.572 -10.880 1.00 0.44 C ATOM 136 O GLU A 12 8.282 -6.562 -11.175 1.00 0.49 O ATOM 137 CB GLU A 12 5.232 -5.218 -11.589 1.00 0.40 C ATOM 138 CG GLU A 12 5.412 -5.980 -12.889 1.00 0.43 C ATOM 139 CD GLU A 12 4.414 -5.582 -13.954 1.00 0.47 C ATOM 140 OE1 GLU A 12 3.221 -5.921 -13.813 1.00 0.51 O ATOM 141 OE2 GLU A 12 4.811 -4.916 -14.929 1.00 0.59 O ATOM 0 H GLU A 12 5.198 -4.225 -9.332 1.00 0.40 H new ATOM 0 HA GLU A 12 5.945 -6.766 -10.275 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.194 -5.303 -11.267 1.00 0.40 H new ATOM 0 HB3 GLU A 12 5.425 -4.160 -11.767 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.421 -5.812 -13.265 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.318 -7.048 -12.693 1.00 0.43 H new ATOM 148 N ARG A 13 8.096 -4.341 -10.877 1.00 0.45 N ATOM 149 CA ARG A 13 9.437 -4.039 -11.363 1.00 0.52 C ATOM 150 C ARG A 13 10.531 -4.548 -10.429 1.00 0.58 C ATOM 151 O ARG A 13 11.474 -5.188 -10.882 1.00 0.62 O ATOM 152 CB ARG A 13 9.599 -2.531 -11.570 1.00 0.56 C ATOM 153 CG ARG A 13 8.839 -1.990 -12.771 1.00 0.54 C ATOM 154 CD ARG A 13 8.859 -0.469 -12.806 1.00 0.67 C ATOM 155 NE ARG A 13 10.215 0.074 -12.761 1.00 1.25 N ATOM 156 CZ ARG A 13 10.502 1.373 -12.814 1.00 1.51 C ATOM 157 NH1 ARG A 13 9.534 2.276 -12.958 1.00 1.38 N ATOM 158 NH2 ARG A 13 11.764 1.766 -12.726 1.00 2.48 N ATOM 0 H ARG A 13 7.580 -3.528 -10.541 1.00 0.45 H new ATOM 0 HA ARG A 13 9.551 -4.560 -12.313 1.00 0.52 H new ATOM 0 HB2 ARG A 13 9.259 -2.012 -10.673 1.00 0.56 H new ATOM 0 HB3 ARG A 13 10.658 -2.302 -11.689 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.279 -2.382 -13.688 1.00 0.54 H new ATOM 0 HG3 ARG A 13 7.807 -2.340 -12.738 1.00 0.54 H new ATOM 0 HD2 ARG A 13 8.362 -0.123 -13.713 1.00 0.67 H new ATOM 0 HD3 ARG A 13 8.288 -0.082 -11.962 1.00 0.67 H new ATOM 0 HE ARG A 13 10.991 -0.584 -12.684 1.00 1.25 H new ATOM 0 HH11 ARG A 13 8.562 1.975 -13.029 1.00 1.38 H new ATOM 0 HH12 ARG A 13 9.764 3.269 -12.997 1.00 1.38 H new ATOM 0 HH21 ARG A 13 12.507 1.075 -12.619 1.00 2.48 H new ATOM 0 HH22 ARG A 13 11.993 2.759 -12.766 1.00 2.48 H new ATOM 172 N PHE A 14 10.418 -4.261 -9.136 1.00 0.60 N ATOM 173 CA PHE A 14 11.511 -4.549 -8.205 1.00 0.69 C ATOM 174 C PHE A 14 11.269 -5.798 -7.356 1.00 0.71 C ATOM 175 O PHE A 14 12.134 -6.668 -7.273 1.00 0.83 O ATOM 176 CB PHE A 14 11.743 -3.352 -7.279 1.00 0.72 C ATOM 177 CG PHE A 14 12.055 -2.071 -8.002 1.00 0.73 C ATOM 178 CD1 PHE A 14 13.360 -1.750 -8.341 1.00 0.87 C ATOM 179 CD2 PHE A 14 11.043 -1.185 -8.339 1.00 0.64 C ATOM 180 CE1 PHE A 14 13.647 -0.571 -9.003 1.00 0.91 C ATOM 181 CE2 PHE A 14 11.326 -0.004 -9.000 1.00 0.67 C ATOM 182 CZ PHE A 14 12.629 0.302 -9.331 1.00 0.81 C ATOM 0 H PHE A 14 9.595 -3.835 -8.710 1.00 0.60 H new ATOM 0 HA PHE A 14 12.392 -4.738 -8.818 1.00 0.69 H new ATOM 0 HB2 PHE A 14 10.855 -3.203 -6.665 1.00 0.72 H new ATOM 0 HB3 PHE A 14 12.564 -3.584 -6.601 1.00 0.72 H new ATOM 0 HD1 PHE A 14 14.161 -2.428 -8.085 1.00 0.87 H new ATOM 0 HD2 PHE A 14 10.021 -1.420 -8.082 1.00 0.64 H new ATOM 0 HE1 PHE A 14 14.668 -0.333 -9.264 1.00 0.91 H new ATOM 0 HE2 PHE A 14 10.528 0.677 -9.256 1.00 0.67 H new ATOM 0 HZ PHE A 14 12.853 1.224 -9.847 1.00 0.81 H new ATOM 192 N SER A 15 10.108 -5.885 -6.722 1.00 0.63 N ATOM 193 CA SER A 15 9.871 -6.923 -5.722 1.00 0.67 C ATOM 194 C SER A 15 9.565 -8.278 -6.363 1.00 0.69 C ATOM 195 O SER A 15 10.029 -9.316 -5.892 1.00 0.78 O ATOM 196 CB SER A 15 8.716 -6.507 -4.807 1.00 0.65 C ATOM 197 OG SER A 15 8.520 -7.441 -3.759 1.00 1.36 O ATOM 0 H SER A 15 9.320 -5.256 -6.878 1.00 0.63 H new ATOM 0 HA SER A 15 10.785 -7.034 -5.138 1.00 0.67 H new ATOM 0 HB2 SER A 15 8.921 -5.523 -4.385 1.00 0.65 H new ATOM 0 HB3 SER A 15 7.801 -6.418 -5.392 1.00 0.65 H new ATOM 0 HG SER A 15 7.777 -7.146 -3.192 1.00 1.36 H new ATOM 203 N LEU A 16 8.784 -8.266 -7.427 1.00 0.63 N ATOM 204 CA LEU A 16 8.393 -9.497 -8.094 1.00 0.68 C ATOM 205 C LEU A 16 9.352 -9.865 -9.214 1.00 0.79 C ATOM 206 O LEU A 16 9.670 -11.039 -9.409 1.00 0.89 O ATOM 207 CB LEU A 16 6.977 -9.382 -8.647 1.00 0.62 C ATOM 208 CG LEU A 16 5.879 -9.860 -7.702 1.00 0.60 C ATOM 209 CD1 LEU A 16 6.082 -11.324 -7.352 1.00 1.24 C ATOM 210 CD2 LEU A 16 5.826 -9.005 -6.441 1.00 1.20 C ATOM 0 H LEU A 16 8.407 -7.418 -7.849 1.00 0.63 H new ATOM 0 HA LEU A 16 8.427 -10.290 -7.347 1.00 0.68 H new ATOM 0 HB2 LEU A 16 6.787 -8.340 -8.905 1.00 0.62 H new ATOM 0 HB3 LEU A 16 6.916 -9.956 -9.572 1.00 0.62 H new ATOM 0 HG LEU A 16 4.922 -9.755 -8.214 1.00 0.60 H new ATOM 0 HD11 LEU A 16 5.291 -11.650 -6.677 1.00 1.24 H new ATOM 0 HD12 LEU A 16 6.052 -11.923 -8.262 1.00 1.24 H new ATOM 0 HD13 LEU A 16 7.049 -11.451 -6.865 1.00 1.24 H new ATOM 0 HD21 LEU A 16 5.034 -9.370 -5.787 1.00 1.20 H new ATOM 0 HD22 LEU A 16 6.782 -9.064 -5.921 1.00 1.20 H new ATOM 0 HD23 LEU A 16 5.624 -7.969 -6.712 1.00 1.20 H new ATOM 222 N LYS A 17 9.801 -8.841 -9.944 1.00 0.83 N ATOM 223 CA LYS A 17 10.593 -9.020 -11.163 1.00 0.97 C ATOM 224 C LYS A 17 9.779 -9.788 -12.201 1.00 1.01 C ATOM 225 O LYS A 17 10.324 -10.390 -13.127 1.00 1.15 O ATOM 226 CB LYS A 17 11.922 -9.740 -10.883 1.00 1.10 C ATOM 227 CG LYS A 17 12.801 -9.045 -9.852 1.00 1.13 C ATOM 228 CD LYS A 17 13.039 -7.583 -10.201 1.00 1.17 C ATOM 229 CE LYS A 17 13.794 -7.421 -11.510 1.00 1.61 C ATOM 230 NZ LYS A 17 13.917 -5.995 -11.911 1.00 2.03 N ATOM 0 H LYS A 17 9.626 -7.865 -9.707 1.00 0.83 H new ATOM 0 HA LYS A 17 10.837 -8.031 -11.552 1.00 0.97 H new ATOM 0 HB2 LYS A 17 11.709 -10.752 -10.540 1.00 1.10 H new ATOM 0 HB3 LYS A 17 12.478 -9.830 -11.816 1.00 1.10 H new ATOM 0 HG2 LYS A 17 12.331 -9.112 -8.871 1.00 1.13 H new ATOM 0 HG3 LYS A 17 13.758 -9.562 -9.783 1.00 1.13 H new ATOM 0 HD2 LYS A 17 12.081 -7.067 -10.270 1.00 1.17 H new ATOM 0 HD3 LYS A 17 13.601 -7.106 -9.398 1.00 1.17 H new ATOM 0 HE2 LYS A 17 14.788 -7.856 -11.411 1.00 1.61 H new ATOM 0 HE3 LYS A 17 13.280 -7.975 -12.295 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 13.950 -5.928 -12.948 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 13.097 -5.463 -11.556 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 14.789 -5.596 -11.510 1.00 2.03 H new ATOM 244 N ALA A 18 8.466 -9.738 -12.039 1.00 0.95 N ATOM 245 CA ALA A 18 7.535 -10.439 -12.903 1.00 1.03 C ATOM 246 C ALA A 18 6.233 -9.661 -12.953 1.00 1.02 C ATOM 247 O ALA A 18 5.936 -8.897 -12.033 1.00 1.34 O ATOM 248 CB ALA A 18 7.295 -11.851 -12.386 1.00 1.06 C ATOM 0 H ALA A 18 8.015 -9.204 -11.296 1.00 0.95 H new ATOM 0 HA ALA A 18 7.951 -10.515 -13.907 1.00 1.03 H new ATOM 0 HB1 ALA A 18 6.594 -12.365 -13.044 1.00 1.06 H new ATOM 0 HB2 ALA A 18 8.239 -12.396 -12.364 1.00 1.06 H new ATOM 0 HB3 ALA A 18 6.880 -11.804 -11.379 1.00 1.06 H new ATOM 254 N LYS A 19 5.461 -9.856 -14.013 1.00 0.80 N ATOM 255 CA LYS A 19 4.257 -9.065 -14.228 1.00 0.77 C ATOM 256 C LYS A 19 3.177 -9.428 -13.217 1.00 0.64 C ATOM 257 O LYS A 19 2.842 -10.603 -13.043 1.00 0.74 O ATOM 258 CB LYS A 19 3.747 -9.240 -15.660 1.00 0.93 C ATOM 259 CG LYS A 19 2.515 -8.404 -15.969 1.00 1.52 C ATOM 260 CD LYS A 19 2.388 -8.114 -17.456 1.00 1.71 C ATOM 261 CE LYS A 19 3.546 -7.265 -17.962 1.00 1.93 C ATOM 262 NZ LYS A 19 3.640 -5.954 -17.256 1.00 2.69 N ATOM 0 H LYS A 19 5.646 -10.552 -14.735 1.00 0.80 H new ATOM 0 HA LYS A 19 4.510 -8.015 -14.082 1.00 0.77 H new ATOM 0 HB2 LYS A 19 4.542 -8.973 -16.356 1.00 0.93 H new ATOM 0 HB3 LYS A 19 3.515 -10.292 -15.829 1.00 0.93 H new ATOM 0 HG2 LYS A 19 1.624 -8.928 -15.624 1.00 1.52 H new ATOM 0 HG3 LYS A 19 2.566 -7.465 -15.418 1.00 1.52 H new ATOM 0 HD2 LYS A 19 2.356 -9.053 -18.009 1.00 1.71 H new ATOM 0 HD3 LYS A 19 1.447 -7.598 -17.648 1.00 1.71 H new ATOM 0 HE2 LYS A 19 4.479 -7.813 -17.831 1.00 1.93 H new ATOM 0 HE3 LYS A 19 3.426 -7.091 -19.031 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 3.980 -5.227 -17.918 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 2.702 -5.685 -16.898 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 4.304 -6.035 -16.460 1.00 2.69 H new ATOM 276 N ILE A 20 2.637 -8.407 -12.561 1.00 0.57 N ATOM 277 CA ILE A 20 1.667 -8.596 -11.490 1.00 0.52 C ATOM 278 C ILE A 20 0.318 -9.021 -12.021 1.00 0.54 C ATOM 279 O ILE A 20 -0.314 -8.310 -12.805 1.00 0.64 O ATOM 280 CB ILE A 20 1.491 -7.310 -10.651 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.734 -7.075 -9.825 1.00 0.46 C ATOM 282 CG2 ILE A 20 0.265 -7.390 -9.752 1.00 0.92 C ATOM 283 CD1 ILE A 20 2.845 -7.969 -8.609 1.00 0.72 C ATOM 0 H ILE A 20 2.858 -7.430 -12.755 1.00 0.57 H new ATOM 0 HA ILE A 20 2.065 -9.389 -10.857 1.00 0.52 H new ATOM 0 HB ILE A 20 1.340 -6.473 -11.333 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.610 -7.226 -10.455 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.751 -6.035 -9.501 1.00 0.46 H new ATOM 0 HG21 ILE A 20 0.174 -6.468 -9.178 1.00 0.92 H new ATOM 0 HG22 ILE A 20 -0.627 -7.526 -10.364 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.369 -8.234 -9.070 1.00 0.92 H new ATOM 0 HD11 ILE A 20 3.764 -7.738 -8.070 1.00 0.72 H new ATOM 0 HD12 ILE A 20 1.989 -7.802 -7.955 1.00 0.72 H new ATOM 0 HD13 ILE A 20 2.862 -9.012 -8.925 1.00 0.72 H new ATOM 295 N ASN A 21 -0.105 -10.192 -11.594 1.00 0.58 N ATOM 296 CA ASN A 21 -1.460 -10.630 -11.819 1.00 0.72 C ATOM 297 C ASN A 21 -1.938 -11.394 -10.594 1.00 0.78 C ATOM 298 O ASN A 21 -1.168 -11.599 -9.663 1.00 0.77 O ATOM 299 CB ASN A 21 -1.585 -11.509 -13.072 1.00 0.80 C ATOM 300 CG ASN A 21 -1.468 -10.729 -14.365 1.00 1.21 C ATOM 301 OD1 ASN A 21 -0.387 -10.612 -14.940 1.00 1.78 O ATOM 302 ND2 ASN A 21 -2.583 -10.192 -14.835 1.00 1.71 N ATOM 0 H ASN A 21 0.476 -10.859 -11.086 1.00 0.58 H new ATOM 0 HA ASN A 21 -2.081 -9.750 -11.985 1.00 0.72 H new ATOM 0 HB2 ASN A 21 -0.811 -12.277 -13.048 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -2.546 -12.024 -13.052 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -2.565 -9.658 -15.704 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -3.460 -10.312 -14.328 1.00 1.71 H new ATOM 309 N ASN A 22 -3.184 -11.842 -10.581 1.00 0.97 N ATOM 310 CA ASN A 22 -3.686 -12.584 -9.424 1.00 1.09 C ATOM 311 C ASN A 22 -3.140 -14.008 -9.450 1.00 1.03 C ATOM 312 O ASN A 22 -3.307 -14.773 -8.500 1.00 1.07 O ATOM 313 CB ASN A 22 -5.222 -12.584 -9.373 1.00 1.41 C ATOM 314 CG ASN A 22 -5.872 -13.681 -10.204 1.00 1.73 C ATOM 315 OD1 ASN A 22 -6.092 -13.518 -11.406 1.00 2.31 O ATOM 316 ND2 ASN A 22 -6.221 -14.787 -9.562 1.00 2.35 N ATOM 0 H ASN A 22 -3.856 -11.712 -11.337 1.00 0.97 H new ATOM 0 HA ASN A 22 -3.337 -12.086 -8.519 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -5.540 -12.692 -8.336 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -5.586 -11.617 -9.719 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -6.689 -15.542 -10.064 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -6.021 -14.883 -8.566 1.00 2.35 H new ATOM 323 N THR A 23 -2.449 -14.333 -10.533 1.00 1.00 N ATOM 324 CA THR A 23 -1.860 -15.645 -10.711 1.00 1.05 C ATOM 325 C THR A 23 -0.528 -15.760 -9.972 1.00 1.02 C ATOM 326 O THR A 23 -0.058 -16.862 -9.688 1.00 1.21 O ATOM 327 CB THR A 23 -1.644 -15.937 -12.205 1.00 1.19 C ATOM 328 OG1 THR A 23 -0.991 -14.821 -12.826 1.00 1.51 O ATOM 329 CG2 THR A 23 -2.965 -16.211 -12.905 1.00 1.79 C ATOM 0 H THR A 23 -2.283 -13.693 -11.310 1.00 1.00 H new ATOM 0 HA THR A 23 -2.552 -16.376 -10.294 1.00 1.05 H new ATOM 0 HB THR A 23 -1.019 -16.825 -12.293 1.00 1.19 H new ATOM 0 HG1 THR A 23 -0.853 -15.011 -13.778 1.00 1.51 H new ATOM 0 HG21 THR A 23 -2.782 -16.414 -13.960 1.00 1.79 H new ATOM 0 HG22 THR A 23 -3.447 -17.075 -12.447 1.00 1.79 H new ATOM 0 HG23 THR A 23 -3.614 -15.341 -12.810 1.00 1.79 H new ATOM 337 N THR A 24 0.077 -14.617 -9.653 1.00 0.87 N ATOM 338 CA THR A 24 1.314 -14.608 -8.885 1.00 0.91 C ATOM 339 C THR A 24 1.011 -14.696 -7.395 1.00 0.98 C ATOM 340 O THR A 24 1.914 -14.757 -6.560 1.00 1.91 O ATOM 341 CB THR A 24 2.163 -13.354 -9.167 1.00 0.88 C ATOM 342 OG1 THR A 24 1.407 -12.170 -8.889 1.00 1.37 O ATOM 343 CG2 THR A 24 2.633 -13.330 -10.613 1.00 1.74 C ATOM 0 H THR A 24 -0.268 -13.693 -9.914 1.00 0.87 H new ATOM 0 HA THR A 24 1.891 -15.479 -9.196 1.00 0.91 H new ATOM 0 HB THR A 24 3.037 -13.386 -8.516 1.00 0.88 H new ATOM 0 HG1 THR A 24 0.577 -12.182 -9.410 1.00 1.37 H new ATOM 0 HG21 THR A 24 3.230 -12.435 -10.787 1.00 1.74 H new ATOM 0 HG22 THR A 24 3.238 -14.214 -10.814 1.00 1.74 H new ATOM 0 HG23 THR A 24 1.768 -13.324 -11.277 1.00 1.74 H new ATOM 351 N ASN A 25 -0.289 -14.711 -7.091 1.00 0.72 N ATOM 352 CA ASN A 25 -0.794 -14.795 -5.724 1.00 0.79 C ATOM 353 C ASN A 25 -0.439 -13.551 -4.925 1.00 0.73 C ATOM 354 O ASN A 25 0.511 -13.551 -4.144 1.00 0.72 O ATOM 355 CB ASN A 25 -0.285 -16.049 -5.006 1.00 1.00 C ATOM 356 CG ASN A 25 -0.929 -17.321 -5.519 1.00 1.96 C ATOM 357 OD1 ASN A 25 -2.000 -17.714 -5.061 1.00 2.69 O ATOM 358 ND2 ASN A 25 -0.275 -17.987 -6.456 1.00 2.58 N ATOM 0 H ASN A 25 -1.025 -14.665 -7.795 1.00 0.72 H new ATOM 0 HA ASN A 25 -1.880 -14.863 -5.793 1.00 0.79 H new ATOM 0 HB2 ASN A 25 0.796 -16.119 -5.129 1.00 1.00 H new ATOM 0 HB3 ASN A 25 -0.479 -15.954 -3.938 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -0.657 -18.859 -6.823 1.00 2.58 H new ATOM 0 HD22 ASN A 25 0.612 -17.629 -6.811 1.00 2.58 H new ATOM 365 N LEU A 26 -1.236 -12.498 -5.098 1.00 0.82 N ATOM 366 CA LEU A 26 -1.033 -11.256 -4.357 1.00 0.88 C ATOM 367 C LEU A 26 -1.249 -11.487 -2.868 1.00 0.83 C ATOM 368 O LEU A 26 -0.811 -10.693 -2.041 1.00 0.86 O ATOM 369 CB LEU A 26 -1.964 -10.144 -4.863 1.00 1.08 C ATOM 370 CG LEU A 26 -1.331 -9.148 -5.838 1.00 1.91 C ATOM 371 CD1 LEU A 26 -0.225 -8.360 -5.153 1.00 2.89 C ATOM 372 CD2 LEU A 26 -0.790 -9.861 -7.065 1.00 2.33 C ATOM 0 H LEU A 26 -2.026 -12.481 -5.743 1.00 0.82 H new ATOM 0 HA LEU A 26 -0.005 -10.933 -4.521 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -2.823 -10.606 -5.350 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -2.344 -9.593 -4.003 1.00 1.08 H new ATOM 0 HG LEU A 26 -2.105 -8.452 -6.161 1.00 1.91 H new ATOM 0 HD11 LEU A 26 0.213 -7.657 -5.861 1.00 2.89 H new ATOM 0 HD12 LEU A 26 -0.639 -7.812 -4.307 1.00 2.89 H new ATOM 0 HD13 LEU A 26 0.545 -9.046 -4.799 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -0.345 -9.132 -7.743 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -0.033 -10.584 -6.761 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -1.603 -10.379 -7.573 1.00 2.33 H new ATOM 384 N ASP A 27 -1.929 -12.585 -2.544 1.00 0.81 N ATOM 385 CA ASP A 27 -2.095 -13.016 -1.161 1.00 0.84 C ATOM 386 C ASP A 27 -0.722 -13.189 -0.520 1.00 0.70 C ATOM 387 O ASP A 27 -0.425 -12.611 0.521 1.00 0.67 O ATOM 388 CB ASP A 27 -2.854 -14.352 -1.135 1.00 1.02 C ATOM 389 CG ASP A 27 -3.243 -14.811 0.262 1.00 1.52 C ATOM 390 OD1 ASP A 27 -2.328 -15.081 1.069 1.00 2.28 O ATOM 391 OD2 ASP A 27 -4.451 -14.864 0.573 1.00 2.00 O ATOM 0 H ASP A 27 -2.376 -13.195 -3.228 1.00 0.81 H new ATOM 0 HA ASP A 27 -2.661 -12.269 -0.605 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -3.755 -14.259 -1.741 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -2.235 -15.120 -1.600 1.00 1.02 H new ATOM 396 N TYR A 28 0.131 -13.951 -1.190 1.00 0.69 N ATOM 397 CA TYR A 28 1.475 -14.212 -0.700 1.00 0.70 C ATOM 398 C TYR A 28 2.363 -12.989 -0.882 1.00 0.63 C ATOM 399 O TYR A 28 3.202 -12.690 -0.033 1.00 0.68 O ATOM 400 CB TYR A 28 2.079 -15.422 -1.417 1.00 0.81 C ATOM 401 CG TYR A 28 1.335 -16.710 -1.147 1.00 1.05 C ATOM 402 CD1 TYR A 28 0.175 -17.025 -1.844 1.00 1.57 C ATOM 403 CD2 TYR A 28 1.799 -17.616 -0.205 1.00 1.16 C ATOM 404 CE1 TYR A 28 -0.500 -18.206 -1.604 1.00 2.15 C ATOM 405 CE2 TYR A 28 1.132 -18.800 0.038 1.00 1.61 C ATOM 406 CZ TYR A 28 -0.048 -19.066 -0.641 1.00 2.13 C ATOM 407 OH TYR A 28 -0.682 -20.269 -0.426 1.00 2.73 O ATOM 0 H TYR A 28 -0.087 -14.401 -2.079 1.00 0.69 H new ATOM 0 HA TYR A 28 1.413 -14.434 0.365 1.00 0.70 H new ATOM 0 HB2 TYR A 28 2.086 -15.233 -2.490 1.00 0.81 H new ATOM 0 HB3 TYR A 28 3.117 -15.538 -1.107 1.00 0.81 H new ATOM 0 HD1 TYR A 28 -0.204 -16.336 -2.584 1.00 1.57 H new ATOM 0 HD2 TYR A 28 2.699 -17.391 0.349 1.00 1.16 H new ATOM 0 HE1 TYR A 28 -1.383 -18.450 -2.176 1.00 2.15 H new ATOM 0 HE2 TYR A 28 1.525 -19.512 0.749 1.00 1.61 H new ATOM 0 HH TYR A 28 -0.227 -20.754 0.294 1.00 2.73 H new ATOM 417 N SER A 29 2.164 -12.278 -1.989 1.00 0.59 N ATOM 418 CA SER A 29 2.947 -11.083 -2.277 1.00 0.62 C ATOM 419 C SER A 29 2.729 -10.012 -1.217 1.00 0.51 C ATOM 420 O SER A 29 3.668 -9.342 -0.811 1.00 0.53 O ATOM 421 CB SER A 29 2.598 -10.528 -3.654 1.00 0.73 C ATOM 422 OG SER A 29 2.752 -11.519 -4.653 1.00 0.81 O ATOM 0 H SER A 29 1.469 -12.509 -2.699 1.00 0.59 H new ATOM 0 HA SER A 29 3.999 -11.369 -2.267 1.00 0.62 H new ATOM 0 HB2 SER A 29 1.571 -10.163 -3.654 1.00 0.73 H new ATOM 0 HB3 SER A 29 3.239 -9.676 -3.880 1.00 0.73 H new ATOM 0 HG SER A 29 2.032 -12.179 -4.573 1.00 0.81 H new ATOM 428 N ARG A 30 1.489 -9.844 -0.767 1.00 0.48 N ATOM 429 CA ARG A 30 1.209 -8.884 0.292 1.00 0.45 C ATOM 430 C ARG A 30 1.687 -9.422 1.618 1.00 0.46 C ATOM 431 O ARG A 30 2.258 -8.697 2.424 1.00 0.56 O ATOM 432 CB ARG A 30 -0.279 -8.581 0.414 1.00 0.52 C ATOM 433 CG ARG A 30 -0.893 -7.918 -0.794 1.00 0.49 C ATOM 434 CD ARG A 30 -0.062 -6.746 -1.304 1.00 0.76 C ATOM 435 NE ARG A 30 0.089 -5.674 -0.316 1.00 1.55 N ATOM 436 CZ ARG A 30 -0.867 -4.795 -0.013 1.00 2.24 C ATOM 437 NH1 ARG A 30 -2.084 -4.934 -0.523 1.00 2.43 N ATOM 438 NH2 ARG A 30 -0.609 -3.786 0.810 1.00 3.24 N ATOM 0 H ARG A 30 0.675 -10.352 -1.113 1.00 0.48 H new ATOM 0 HA ARG A 30 1.735 -7.966 0.031 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.810 -9.513 0.608 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -0.434 -7.939 1.281 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -1.004 -8.654 -1.591 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -1.894 -7.567 -0.542 1.00 0.49 H new ATOM 0 HD2 ARG A 30 0.925 -7.107 -1.593 1.00 0.76 H new ATOM 0 HD3 ARG A 30 -0.529 -6.341 -2.202 1.00 0.76 H new ATOM 0 HE ARG A 30 0.982 -5.595 0.171 1.00 1.55 H new ATOM 0 HH11 ARG A 30 -2.289 -5.714 -1.148 1.00 2.43 H new ATOM 0 HH12 ARG A 30 -2.814 -4.261 -0.290 1.00 2.43 H new ATOM 0 HH21 ARG A 30 0.322 -3.681 1.212 1.00 3.24 H new ATOM 0 HH22 ARG A 30 -1.342 -3.115 1.040 1.00 3.24 H new ATOM 452 N ARG A 31 1.446 -10.702 1.833 1.00 0.45 N ATOM 453 CA ARG A 31 1.764 -11.339 3.094 1.00 0.47 C ATOM 454 C ARG A 31 3.253 -11.187 3.421 1.00 0.45 C ATOM 455 O ARG A 31 3.629 -10.923 4.563 1.00 0.50 O ATOM 456 CB ARG A 31 1.368 -12.817 3.035 1.00 0.53 C ATOM 457 CG ARG A 31 1.630 -13.598 4.312 1.00 1.14 C ATOM 458 CD ARG A 31 1.193 -15.045 4.158 1.00 1.21 C ATOM 459 NE ARG A 31 1.502 -15.847 5.339 1.00 1.89 N ATOM 460 CZ ARG A 31 1.087 -17.103 5.512 1.00 2.16 C ATOM 461 NH1 ARG A 31 0.299 -17.680 4.609 1.00 1.87 N ATOM 462 NH2 ARG A 31 1.456 -17.784 6.589 1.00 3.18 N ATOM 0 H ARG A 31 1.027 -11.325 1.142 1.00 0.45 H new ATOM 0 HA ARG A 31 1.200 -10.852 3.889 1.00 0.47 H new ATOM 0 HB2 ARG A 31 0.307 -12.885 2.795 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.911 -13.292 2.218 1.00 0.53 H new ATOM 0 HG2 ARG A 31 2.691 -13.558 4.557 1.00 1.14 H new ATOM 0 HG3 ARG A 31 1.094 -13.138 5.142 1.00 1.14 H new ATOM 0 HD2 ARG A 31 0.120 -15.080 3.969 1.00 1.21 H new ATOM 0 HD3 ARG A 31 1.685 -15.480 3.288 1.00 1.21 H new ATOM 0 HE ARG A 31 2.068 -15.422 6.074 1.00 1.89 H new ATOM 0 HH11 ARG A 31 0.009 -17.162 3.780 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -0.016 -18.641 4.746 1.00 1.87 H new ATOM 0 HH21 ARG A 31 2.058 -17.347 7.287 1.00 3.18 H new ATOM 0 HH22 ARG A 31 1.137 -18.744 6.719 1.00 3.18 H new ATOM 476 N PHE A 32 4.093 -11.332 2.400 1.00 0.45 N ATOM 477 CA PHE A 32 5.536 -11.191 2.566 1.00 0.53 C ATOM 478 C PHE A 32 5.939 -9.712 2.524 1.00 0.53 C ATOM 479 O PHE A 32 7.038 -9.337 2.931 1.00 0.57 O ATOM 480 CB PHE A 32 6.259 -12.012 1.479 1.00 0.66 C ATOM 481 CG PHE A 32 7.025 -11.210 0.457 1.00 0.57 C ATOM 482 CD1 PHE A 32 6.385 -10.682 -0.656 1.00 0.88 C ATOM 483 CD2 PHE A 32 8.379 -10.967 0.622 1.00 0.66 C ATOM 484 CE1 PHE A 32 7.082 -9.933 -1.583 1.00 1.10 C ATOM 485 CE2 PHE A 32 9.081 -10.216 -0.301 1.00 0.93 C ATOM 486 CZ PHE A 32 8.444 -9.764 -1.447 1.00 1.08 C ATOM 0 H PHE A 32 3.798 -11.547 1.448 1.00 0.45 H new ATOM 0 HA PHE A 32 5.832 -11.578 3.541 1.00 0.53 H new ATOM 0 HB2 PHE A 32 6.950 -12.699 1.968 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.520 -12.621 0.957 1.00 0.66 H new ATOM 0 HD1 PHE A 32 5.329 -10.859 -0.798 1.00 0.88 H new ATOM 0 HD2 PHE A 32 8.892 -11.370 1.483 1.00 0.66 H new ATOM 0 HE1 PHE A 32 6.561 -9.480 -2.414 1.00 1.10 H new ATOM 0 HE2 PHE A 32 10.121 -9.982 -0.131 1.00 0.93 H new ATOM 0 HZ PHE A 32 9.012 -9.282 -2.229 1.00 1.08 H new ATOM 496 N LEU A 33 5.015 -8.882 2.063 1.00 0.51 N ATOM 497 CA LEU A 33 5.253 -7.454 1.881 1.00 0.53 C ATOM 498 C LEU A 33 4.981 -6.683 3.173 1.00 0.45 C ATOM 499 O LEU A 33 5.307 -5.499 3.281 1.00 0.44 O ATOM 500 CB LEU A 33 4.365 -6.920 0.751 1.00 0.60 C ATOM 501 CG LEU A 33 4.695 -5.513 0.260 1.00 0.93 C ATOM 502 CD1 LEU A 33 6.072 -5.478 -0.387 1.00 0.92 C ATOM 503 CD2 LEU A 33 3.629 -5.035 -0.712 1.00 1.70 C ATOM 0 H LEU A 33 4.075 -9.179 1.803 1.00 0.51 H new ATOM 0 HA LEU A 33 6.301 -7.310 1.616 1.00 0.53 H new ATOM 0 HB2 LEU A 33 4.432 -7.605 -0.094 1.00 0.60 H new ATOM 0 HB3 LEU A 33 3.329 -6.933 1.090 1.00 0.60 H new ATOM 0 HG LEU A 33 4.710 -4.839 1.117 1.00 0.93 H new ATOM 0 HD11 LEU A 33 6.287 -4.466 -0.730 1.00 0.92 H new ATOM 0 HD12 LEU A 33 6.824 -5.782 0.341 1.00 0.92 H new ATOM 0 HD13 LEU A 33 6.092 -6.161 -1.236 1.00 0.92 H new ATOM 0 HD21 LEU A 33 3.874 -4.030 -1.056 1.00 1.70 H new ATOM 0 HD22 LEU A 33 3.586 -5.711 -1.566 1.00 1.70 H new ATOM 0 HD23 LEU A 33 2.661 -5.021 -0.212 1.00 1.70 H new ATOM 515 N GLU A 34 4.386 -7.358 4.152 1.00 0.39 N ATOM 516 CA GLU A 34 3.968 -6.711 5.394 1.00 0.35 C ATOM 517 C GLU A 34 5.159 -6.052 6.114 1.00 0.35 C ATOM 518 O GLU A 34 5.082 -4.876 6.468 1.00 0.30 O ATOM 519 CB GLU A 34 3.270 -7.707 6.329 1.00 0.39 C ATOM 520 CG GLU A 34 2.669 -7.049 7.561 1.00 0.43 C ATOM 521 CD GLU A 34 2.184 -8.049 8.589 1.00 0.78 C ATOM 522 OE1 GLU A 34 1.037 -8.527 8.471 1.00 1.17 O ATOM 523 OE2 GLU A 34 2.946 -8.352 9.528 1.00 1.26 O ATOM 0 H GLU A 34 4.181 -8.356 4.110 1.00 0.39 H new ATOM 0 HA GLU A 34 3.257 -5.930 5.127 1.00 0.35 H new ATOM 0 HB2 GLU A 34 2.482 -8.222 5.779 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.987 -8.465 6.643 1.00 0.39 H new ATOM 0 HG2 GLU A 34 3.414 -6.398 8.019 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.836 -6.415 7.258 1.00 0.43 H new ATOM 530 N PRO A 35 6.280 -6.785 6.342 1.00 0.43 N ATOM 531 CA PRO A 35 7.479 -6.215 6.978 1.00 0.48 C ATOM 532 C PRO A 35 8.023 -5.005 6.224 1.00 0.45 C ATOM 533 O PRO A 35 8.618 -4.108 6.818 1.00 0.47 O ATOM 534 CB PRO A 35 8.502 -7.362 6.948 1.00 0.63 C ATOM 535 CG PRO A 35 7.961 -8.352 5.975 1.00 0.79 C ATOM 536 CD PRO A 35 6.469 -8.216 6.038 1.00 0.50 C ATOM 0 HA PRO A 35 7.259 -5.853 7.982 1.00 0.48 H new ATOM 0 HB2 PRO A 35 9.484 -7.004 6.639 1.00 0.63 H new ATOM 0 HB3 PRO A 35 8.621 -7.807 7.936 1.00 0.63 H new ATOM 0 HG2 PRO A 35 8.329 -8.152 4.969 1.00 0.79 H new ATOM 0 HG3 PRO A 35 8.272 -9.364 6.233 1.00 0.79 H new ATOM 0 HD2 PRO A 35 5.998 -8.494 5.095 1.00 0.50 H new ATOM 0 HD3 PRO A 35 6.038 -8.853 6.810 1.00 0.50 H new ATOM 544 N PHE A 36 7.805 -4.980 4.915 1.00 0.44 N ATOM 545 CA PHE A 36 8.253 -3.866 4.090 1.00 0.49 C ATOM 546 C PHE A 36 7.389 -2.639 4.333 1.00 0.39 C ATOM 547 O PHE A 36 7.891 -1.521 4.431 1.00 0.43 O ATOM 548 CB PHE A 36 8.211 -4.234 2.602 1.00 0.62 C ATOM 549 CG PHE A 36 9.211 -5.278 2.189 1.00 0.66 C ATOM 550 CD1 PHE A 36 8.915 -6.628 2.296 1.00 1.36 C ATOM 551 CD2 PHE A 36 10.446 -4.905 1.682 1.00 0.79 C ATOM 552 CE1 PHE A 36 9.831 -7.585 1.904 1.00 2.02 C ATOM 553 CE2 PHE A 36 11.367 -5.858 1.290 1.00 1.21 C ATOM 554 CZ PHE A 36 11.060 -7.200 1.403 1.00 1.87 C ATOM 0 H PHE A 36 7.321 -5.718 4.403 1.00 0.44 H new ATOM 0 HA PHE A 36 9.283 -3.641 4.368 1.00 0.49 H new ATOM 0 HB2 PHE A 36 7.210 -4.591 2.357 1.00 0.62 H new ATOM 0 HB3 PHE A 36 8.381 -3.333 2.013 1.00 0.62 H new ATOM 0 HD1 PHE A 36 7.958 -6.935 2.690 1.00 1.36 H new ATOM 0 HD2 PHE A 36 10.691 -3.857 1.592 1.00 0.79 H new ATOM 0 HE1 PHE A 36 9.587 -8.634 1.989 1.00 2.02 H new ATOM 0 HE2 PHE A 36 12.325 -5.554 0.896 1.00 1.21 H new ATOM 0 HZ PHE A 36 11.779 -7.947 1.100 1.00 1.87 H new ATOM 564 N LEU A 37 6.091 -2.870 4.456 1.00 0.30 N ATOM 565 CA LEU A 37 5.114 -1.791 4.550 1.00 0.29 C ATOM 566 C LEU A 37 5.026 -1.213 5.955 1.00 0.24 C ATOM 567 O LEU A 37 4.635 -0.061 6.126 1.00 0.27 O ATOM 568 CB LEU A 37 3.744 -2.298 4.099 1.00 0.31 C ATOM 569 CG LEU A 37 3.454 -2.171 2.597 1.00 0.57 C ATOM 570 CD1 LEU A 37 4.717 -2.346 1.764 1.00 0.90 C ATOM 571 CD2 LEU A 37 2.423 -3.200 2.184 1.00 1.18 C ATOM 0 H LEU A 37 5.685 -3.805 4.494 1.00 0.30 H new ATOM 0 HA LEU A 37 5.445 -0.986 3.894 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.653 -3.347 4.381 1.00 0.31 H new ATOM 0 HB3 LEU A 37 2.976 -1.753 4.647 1.00 0.31 H new ATOM 0 HG LEU A 37 3.068 -1.168 2.415 1.00 0.57 H new ATOM 0 HD11 LEU A 37 4.472 -2.249 0.706 1.00 0.90 H new ATOM 0 HD12 LEU A 37 5.443 -1.581 2.039 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.141 -3.333 1.949 1.00 0.90 H new ATOM 0 HD21 LEU A 37 2.221 -3.105 1.117 1.00 1.18 H new ATOM 0 HD22 LEU A 37 2.803 -4.200 2.394 1.00 1.18 H new ATOM 0 HD23 LEU A 37 1.502 -3.037 2.743 1.00 1.18 H new ATOM 583 N ARG A 38 5.352 -2.015 6.958 1.00 0.24 N ATOM 584 CA ARG A 38 5.372 -1.538 8.336 1.00 0.31 C ATOM 585 C ARG A 38 6.262 -0.318 8.498 1.00 0.30 C ATOM 586 O ARG A 38 7.490 -0.420 8.482 1.00 0.41 O ATOM 587 CB ARG A 38 5.843 -2.637 9.283 1.00 0.44 C ATOM 588 CG ARG A 38 4.769 -3.649 9.611 1.00 0.82 C ATOM 589 CD ARG A 38 5.319 -4.766 10.483 1.00 1.06 C ATOM 590 NE ARG A 38 4.347 -5.839 10.698 1.00 2.16 N ATOM 591 CZ ARG A 38 4.078 -6.370 11.890 1.00 2.73 C ATOM 592 NH1 ARG A 38 4.638 -5.867 12.986 1.00 2.36 N ATOM 593 NH2 ARG A 38 3.241 -7.394 11.983 1.00 3.90 N ATOM 0 H ARG A 38 5.606 -2.997 6.846 1.00 0.24 H new ATOM 0 HA ARG A 38 4.350 -1.255 8.588 1.00 0.31 H new ATOM 0 HB2 ARG A 38 6.693 -3.152 8.835 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.197 -2.182 10.208 1.00 0.44 H new ATOM 0 HG2 ARG A 38 3.944 -3.155 10.124 1.00 0.82 H new ATOM 0 HG3 ARG A 38 4.366 -4.068 8.689 1.00 0.82 H new ATOM 0 HD2 ARG A 38 6.214 -5.179 10.018 1.00 1.06 H new ATOM 0 HD3 ARG A 38 5.621 -4.355 11.446 1.00 1.06 H new ATOM 0 HE ARG A 38 3.846 -6.202 9.887 1.00 2.16 H new ATOM 0 HH11 ARG A 38 5.275 -5.073 12.915 1.00 2.36 H new ATOM 0 HH12 ARG A 38 4.431 -6.275 13.898 1.00 2.36 H new ATOM 0 HH21 ARG A 38 2.804 -7.774 11.143 1.00 3.90 H new ATOM 0 HH22 ARG A 38 3.034 -7.802 12.895 1.00 3.90 H new ATOM 607 N GLY A 39 5.630 0.832 8.633 1.00 0.28 N ATOM 608 CA GLY A 39 6.349 2.047 8.914 1.00 0.31 C ATOM 609 C GLY A 39 6.660 2.857 7.673 1.00 0.28 C ATOM 610 O GLY A 39 7.674 3.554 7.625 1.00 0.35 O ATOM 0 H GLY A 39 4.619 0.944 8.552 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.763 2.658 9.601 1.00 0.31 H new ATOM 0 HA3 GLY A 39 7.281 1.801 9.422 1.00 0.31 H new ATOM 614 N ILE A 40 5.790 2.790 6.672 1.00 0.24 N ATOM 615 CA ILE A 40 6.030 3.534 5.430 1.00 0.22 C ATOM 616 C ILE A 40 4.972 4.607 5.231 1.00 0.21 C ATOM 617 O ILE A 40 4.036 4.719 6.016 1.00 0.21 O ATOM 618 CB ILE A 40 6.060 2.630 4.172 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.686 2.005 3.905 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.126 1.555 4.316 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.593 1.264 2.586 1.00 0.19 C ATOM 0 H ILE A 40 4.929 2.243 6.688 1.00 0.24 H new ATOM 0 HA ILE A 40 7.016 3.985 5.543 1.00 0.22 H new ATOM 0 HB ILE A 40 6.312 3.253 3.313 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.448 1.316 4.715 1.00 0.18 H new ATOM 0 HG13 ILE A 40 3.931 2.791 3.923 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.134 0.929 3.424 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.102 2.025 4.438 1.00 0.21 H new ATOM 0 HG23 ILE A 40 6.907 0.940 5.189 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.591 0.851 2.471 1.00 0.19 H new ATOM 0 HD12 ILE A 40 4.798 1.953 1.766 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.323 0.455 2.571 1.00 0.19 H new ATOM 633 N ASN A 41 5.140 5.405 4.192 1.00 0.21 N ATOM 634 CA ASN A 41 4.140 6.390 3.821 1.00 0.20 C ATOM 635 C ASN A 41 3.849 6.267 2.335 1.00 0.16 C ATOM 636 O ASN A 41 4.763 6.126 1.521 1.00 0.18 O ATOM 637 CB ASN A 41 4.602 7.814 4.177 1.00 0.29 C ATOM 638 CG ASN A 41 5.826 8.272 3.399 1.00 0.99 C ATOM 639 OD1 ASN A 41 5.710 8.884 2.339 1.00 2.00 O ATOM 640 ND2 ASN A 41 7.009 7.992 3.930 1.00 1.23 N ATOM 0 H ASN A 41 5.962 5.390 3.588 1.00 0.21 H new ATOM 0 HA ASN A 41 3.226 6.200 4.384 1.00 0.20 H new ATOM 0 HB2 ASN A 41 3.783 8.509 3.991 1.00 0.29 H new ATOM 0 HB3 ASN A 41 4.823 7.859 5.244 1.00 0.29 H new ATOM 0 HD21 ASN A 41 7.863 8.287 3.457 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.064 7.482 4.812 1.00 1.23 H new ATOM 647 N VAL A 42 2.574 6.280 1.995 1.00 0.13 N ATOM 648 CA VAL A 42 2.149 6.138 0.613 1.00 0.14 C ATOM 649 C VAL A 42 1.151 7.224 0.244 1.00 0.15 C ATOM 650 O VAL A 42 0.347 7.656 1.071 1.00 0.18 O ATOM 651 CB VAL A 42 1.508 4.754 0.348 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.547 3.648 0.438 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.361 4.488 1.317 1.00 0.19 C ATOM 0 H VAL A 42 1.809 6.388 2.661 1.00 0.13 H new ATOM 0 HA VAL A 42 3.042 6.232 -0.004 1.00 0.14 H new ATOM 0 HB VAL A 42 1.104 4.763 -0.664 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.072 2.686 0.248 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.327 3.820 -0.304 1.00 0.17 H new ATOM 0 HG13 VAL A 42 2.989 3.644 1.434 1.00 0.17 H new ATOM 0 HG21 VAL A 42 -0.072 3.509 1.109 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.737 4.509 2.340 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.403 5.256 1.196 1.00 0.19 H new ATOM 663 N VAL A 43 1.221 7.671 -0.993 1.00 0.18 N ATOM 664 CA VAL A 43 0.270 8.627 -1.514 1.00 0.22 C ATOM 665 C VAL A 43 -0.902 7.876 -2.121 1.00 0.20 C ATOM 666 O VAL A 43 -0.781 7.275 -3.188 1.00 0.20 O ATOM 667 CB VAL A 43 0.907 9.543 -2.583 1.00 0.28 C ATOM 668 CG1 VAL A 43 -0.090 10.590 -3.062 1.00 0.88 C ATOM 669 CG2 VAL A 43 2.161 10.206 -2.039 1.00 0.75 C ATOM 0 H VAL A 43 1.935 7.383 -1.661 1.00 0.18 H new ATOM 0 HA VAL A 43 -0.065 9.260 -0.692 1.00 0.22 H new ATOM 0 HB VAL A 43 1.187 8.926 -3.437 1.00 0.28 H new ATOM 0 HG11 VAL A 43 0.381 11.223 -3.814 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -0.958 10.094 -3.497 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.407 11.203 -2.218 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.596 10.847 -2.806 1.00 0.75 H new ATOM 0 HG22 VAL A 43 1.906 10.807 -1.166 1.00 0.75 H new ATOM 0 HG23 VAL A 43 2.883 9.441 -1.754 1.00 0.75 H new ATOM 679 N TYR A 44 -2.021 7.890 -1.423 1.00 0.21 N ATOM 680 CA TYR A 44 -3.205 7.174 -1.856 1.00 0.22 C ATOM 681 C TYR A 44 -4.051 8.064 -2.749 1.00 0.22 C ATOM 682 O TYR A 44 -4.615 9.062 -2.296 1.00 0.24 O ATOM 683 CB TYR A 44 -4.011 6.709 -0.637 1.00 0.27 C ATOM 684 CG TYR A 44 -5.350 6.087 -0.973 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.434 4.764 -1.385 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.525 6.822 -0.888 1.00 0.42 C ATOM 687 CE1 TYR A 44 -6.648 4.189 -1.698 1.00 0.47 C ATOM 688 CE2 TYR A 44 -7.745 6.253 -1.199 1.00 0.50 C ATOM 689 CZ TYR A 44 -7.815 4.954 -1.577 1.00 0.50 C ATOM 690 OH TYR A 44 -9.011 4.363 -1.915 1.00 0.59 O ATOM 0 H TYR A 44 -2.135 8.395 -0.544 1.00 0.21 H new ATOM 0 HA TYR A 44 -2.904 6.296 -2.427 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.417 5.985 -0.079 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.175 7.562 0.022 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -4.532 4.174 -1.462 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.485 7.855 -0.574 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -6.698 3.163 -2.032 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.646 6.846 -1.141 1.00 0.50 H new ATOM 0 HH TYR A 44 -8.840 3.490 -2.326 1.00 0.59 H new ATOM 700 N THR A 45 -4.111 7.708 -4.020 1.00 0.24 N ATOM 701 CA THR A 45 -4.883 8.454 -4.989 1.00 0.28 C ATOM 702 C THR A 45 -6.273 7.848 -5.140 1.00 0.28 C ATOM 703 O THR A 45 -6.430 6.773 -5.722 1.00 0.30 O ATOM 704 CB THR A 45 -4.170 8.478 -6.355 1.00 0.36 C ATOM 705 OG1 THR A 45 -3.758 7.152 -6.715 1.00 1.08 O ATOM 706 CG2 THR A 45 -2.960 9.399 -6.316 1.00 1.10 C ATOM 0 H THR A 45 -3.627 6.897 -4.405 1.00 0.24 H new ATOM 0 HA THR A 45 -4.979 9.478 -4.629 1.00 0.28 H new ATOM 0 HB THR A 45 -4.870 8.855 -7.101 1.00 0.36 H new ATOM 0 HG1 THR A 45 -4.464 6.515 -6.479 1.00 1.08 H new ATOM 0 HG21 THR A 45 -2.472 9.400 -7.291 1.00 1.10 H new ATOM 0 HG22 THR A 45 -3.281 10.411 -6.069 1.00 1.10 H new ATOM 0 HG23 THR A 45 -2.259 9.046 -5.560 1.00 1.10 H new ATOM 714 N PRO A 46 -7.295 8.523 -4.597 1.00 0.31 N ATOM 715 CA PRO A 46 -8.672 8.056 -4.655 1.00 0.35 C ATOM 716 C PRO A 46 -9.287 8.300 -6.025 1.00 0.38 C ATOM 717 O PRO A 46 -9.210 9.413 -6.559 1.00 0.38 O ATOM 718 CB PRO A 46 -9.393 8.898 -3.588 1.00 0.40 C ATOM 719 CG PRO A 46 -8.331 9.709 -2.913 1.00 0.47 C ATOM 720 CD PRO A 46 -7.195 9.797 -3.885 1.00 0.37 C ATOM 0 HA PRO A 46 -8.749 6.983 -4.481 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.146 9.542 -4.043 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -9.910 8.260 -2.872 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.702 10.701 -2.657 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -8.013 9.238 -1.983 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.300 10.648 -4.558 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.235 9.907 -3.380 1.00 0.37 H new ATOM 728 N PRO A 47 -9.886 7.253 -6.616 1.00 0.45 N ATOM 729 CA PRO A 47 -10.578 7.352 -7.901 1.00 0.56 C ATOM 730 C PRO A 47 -11.561 8.515 -7.921 1.00 0.59 C ATOM 731 O PRO A 47 -12.190 8.833 -6.909 1.00 0.56 O ATOM 732 CB PRO A 47 -11.320 6.018 -8.003 1.00 0.62 C ATOM 733 CG PRO A 47 -10.506 5.073 -7.194 1.00 0.55 C ATOM 734 CD PRO A 47 -9.924 5.885 -6.070 1.00 0.49 C ATOM 0 HA PRO A 47 -9.895 7.535 -8.731 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.336 6.099 -7.615 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -11.399 5.687 -9.038 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.120 4.259 -6.810 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -9.719 4.621 -7.797 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.541 5.828 -5.173 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -8.929 5.535 -5.796 1.00 0.49 H new ATOM 742 N GLN A 48 -11.679 9.138 -9.090 1.00 0.70 N ATOM 743 CA GLN A 48 -12.470 10.353 -9.276 1.00 0.79 C ATOM 744 C GLN A 48 -13.904 10.211 -8.768 1.00 0.77 C ATOM 745 O GLN A 48 -14.549 11.206 -8.443 1.00 0.83 O ATOM 746 CB GLN A 48 -12.481 10.726 -10.756 1.00 0.96 C ATOM 747 CG GLN A 48 -13.081 9.651 -11.642 1.00 1.50 C ATOM 748 CD GLN A 48 -13.045 10.011 -13.111 1.00 1.79 C ATOM 749 OE1 GLN A 48 -12.971 9.132 -13.971 1.00 2.22 O ATOM 750 NE2 GLN A 48 -13.096 11.299 -13.405 1.00 2.18 N ATOM 0 H GLN A 48 -11.225 8.812 -9.943 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.001 11.140 -8.685 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -13.044 11.650 -10.886 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -11.460 10.926 -11.081 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -12.540 8.717 -11.489 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -14.114 9.474 -11.342 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -13.157 11.991 -12.658 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -13.075 11.601 -14.379 1.00 2.18 H new ATOM 759 N SER A 49 -14.388 8.977 -8.693 1.00 0.72 N ATOM 760 CA SER A 49 -15.737 8.699 -8.222 1.00 0.74 C ATOM 761 C SER A 49 -15.901 9.065 -6.742 1.00 0.71 C ATOM 762 O SER A 49 -17.017 9.248 -6.260 1.00 0.78 O ATOM 763 CB SER A 49 -16.038 7.218 -8.428 1.00 0.77 C ATOM 764 OG SER A 49 -15.678 6.809 -9.738 1.00 1.75 O ATOM 0 H SER A 49 -13.859 8.146 -8.956 1.00 0.72 H new ATOM 0 HA SER A 49 -16.438 9.309 -8.792 1.00 0.74 H new ATOM 0 HB2 SER A 49 -15.492 6.626 -7.694 1.00 0.77 H new ATOM 0 HB3 SER A 49 -17.099 7.031 -8.262 1.00 0.77 H new ATOM 0 HG SER A 49 -15.877 5.856 -9.849 1.00 1.75 H new ATOM 770 N PHE A 50 -14.783 9.167 -6.030 1.00 0.65 N ATOM 771 CA PHE A 50 -14.808 9.520 -4.614 1.00 0.64 C ATOM 772 C PHE A 50 -14.884 11.027 -4.417 1.00 0.71 C ATOM 773 O PHE A 50 -15.496 11.501 -3.459 1.00 0.77 O ATOM 774 CB PHE A 50 -13.565 8.991 -3.896 1.00 0.57 C ATOM 775 CG PHE A 50 -13.597 7.520 -3.617 1.00 0.53 C ATOM 776 CD1 PHE A 50 -14.174 7.043 -2.454 1.00 0.59 C ATOM 777 CD2 PHE A 50 -13.041 6.619 -4.506 1.00 0.60 C ATOM 778 CE1 PHE A 50 -14.197 5.691 -2.183 1.00 0.66 C ATOM 779 CE2 PHE A 50 -13.062 5.264 -4.241 1.00 0.68 C ATOM 780 CZ PHE A 50 -13.639 4.800 -3.077 1.00 0.68 C ATOM 0 H PHE A 50 -13.849 9.010 -6.409 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.700 9.059 -4.189 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.687 9.216 -4.501 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.448 9.526 -2.953 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -14.611 7.737 -1.751 1.00 0.59 H new ATOM 0 HD2 PHE A 50 -12.586 6.979 -5.417 1.00 0.60 H new ATOM 0 HE1 PHE A 50 -14.651 5.330 -1.272 1.00 0.66 H new ATOM 0 HE2 PHE A 50 -12.627 4.569 -4.944 1.00 0.68 H new ATOM 0 HZ PHE A 50 -13.654 3.741 -2.866 1.00 0.68 H new ATOM 790 N GLN A 51 -14.238 11.769 -5.323 1.00 0.72 N ATOM 791 CA GLN A 51 -14.119 13.224 -5.211 1.00 0.79 C ATOM 792 C GLN A 51 -13.298 13.582 -3.976 1.00 0.66 C ATOM 793 O GLN A 51 -13.562 14.570 -3.295 1.00 0.83 O ATOM 794 CB GLN A 51 -15.490 13.904 -5.156 1.00 1.07 C ATOM 795 CG GLN A 51 -16.345 13.655 -6.386 1.00 1.23 C ATOM 796 CD GLN A 51 -17.697 14.331 -6.297 1.00 1.98 C ATOM 797 OE1 GLN A 51 -18.689 13.829 -6.824 1.00 2.73 O ATOM 798 NE2 GLN A 51 -17.749 15.479 -5.640 1.00 2.45 N ATOM 0 H GLN A 51 -13.786 11.379 -6.150 1.00 0.72 H new ATOM 0 HA GLN A 51 -13.610 13.589 -6.103 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -16.026 13.551 -4.275 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.348 14.978 -5.034 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -15.819 14.016 -7.270 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -16.486 12.582 -6.515 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -16.904 15.863 -5.217 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -18.634 15.980 -5.557 1.00 2.45 H new ATOM 807 N SER A 52 -12.289 12.768 -3.708 1.00 0.53 N ATOM 808 CA SER A 52 -11.451 12.949 -2.539 1.00 0.50 C ATOM 809 C SER A 52 -10.019 13.252 -2.964 1.00 0.42 C ATOM 810 O SER A 52 -9.536 12.733 -3.975 1.00 0.44 O ATOM 811 CB SER A 52 -11.496 11.688 -1.672 1.00 0.55 C ATOM 812 OG SER A 52 -12.838 11.331 -1.370 1.00 1.21 O ATOM 0 H SER A 52 -12.032 11.971 -4.290 1.00 0.53 H new ATOM 0 HA SER A 52 -11.824 13.791 -1.956 1.00 0.50 H new ATOM 0 HB2 SER A 52 -11.004 10.866 -2.192 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.943 11.857 -0.748 1.00 0.55 H new ATOM 0 HG SER A 52 -12.845 10.522 -0.817 1.00 1.21 H new ATOM 818 N ALA A 53 -9.358 14.108 -2.203 1.00 0.48 N ATOM 819 CA ALA A 53 -7.980 14.491 -2.486 1.00 0.52 C ATOM 820 C ALA A 53 -7.013 13.399 -2.038 1.00 0.41 C ATOM 821 O ALA A 53 -7.231 12.756 -1.009 1.00 0.44 O ATOM 822 CB ALA A 53 -7.653 15.804 -1.790 1.00 0.73 C ATOM 0 H ALA A 53 -9.755 14.556 -1.377 1.00 0.48 H new ATOM 0 HA ALA A 53 -7.870 14.622 -3.562 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.622 16.083 -2.006 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.324 16.584 -2.151 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.779 15.687 -0.714 1.00 0.73 H new ATOM 828 N PRO A 54 -5.942 13.165 -2.826 1.00 0.39 N ATOM 829 CA PRO A 54 -4.918 12.162 -2.510 1.00 0.32 C ATOM 830 C PRO A 54 -4.359 12.329 -1.104 1.00 0.29 C ATOM 831 O PRO A 54 -3.809 13.380 -0.762 1.00 0.36 O ATOM 832 CB PRO A 54 -3.829 12.422 -3.555 1.00 0.39 C ATOM 833 CG PRO A 54 -4.544 13.050 -4.699 1.00 0.52 C ATOM 834 CD PRO A 54 -5.652 13.865 -4.092 1.00 0.52 C ATOM 0 HA PRO A 54 -5.319 11.149 -2.537 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -3.054 13.080 -3.163 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -3.339 11.496 -3.855 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -3.871 13.678 -5.283 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -4.941 12.293 -5.375 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.343 14.896 -3.919 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.527 13.899 -4.741 1.00 0.52 H new ATOM 842 N ARG A 55 -4.489 11.284 -0.302 1.00 0.26 N ATOM 843 CA ARG A 55 -4.068 11.334 1.086 1.00 0.31 C ATOM 844 C ARG A 55 -2.780 10.551 1.272 1.00 0.24 C ATOM 845 O ARG A 55 -2.643 9.443 0.759 1.00 0.20 O ATOM 846 CB ARG A 55 -5.139 10.732 2.000 1.00 0.42 C ATOM 847 CG ARG A 55 -6.524 11.343 1.862 1.00 1.13 C ATOM 848 CD ARG A 55 -6.576 12.768 2.389 1.00 1.35 C ATOM 849 NE ARG A 55 -7.953 13.227 2.555 1.00 2.05 N ATOM 850 CZ ARG A 55 -8.302 14.498 2.752 1.00 2.41 C ATOM 851 NH1 ARG A 55 -7.378 15.449 2.800 1.00 2.30 N ATOM 852 NH2 ARG A 55 -9.581 14.814 2.919 1.00 3.34 N ATOM 0 H ARG A 55 -4.884 10.389 -0.591 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.911 12.380 1.349 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.209 9.663 1.797 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -4.813 10.839 3.035 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -6.821 11.334 0.813 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -7.245 10.730 2.403 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -6.055 12.823 3.345 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -6.051 13.431 1.701 1.00 1.35 H new ATOM 0 HE ARG A 55 -8.696 12.529 2.518 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -6.393 15.209 2.686 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -7.653 16.420 2.951 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -10.294 14.085 2.896 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -9.851 15.786 3.070 1.00 3.34 H new ATOM 866 N VAL A 56 -1.843 11.123 2.001 1.00 0.26 N ATOM 867 CA VAL A 56 -0.632 10.410 2.364 1.00 0.24 C ATOM 868 C VAL A 56 -0.892 9.600 3.622 1.00 0.22 C ATOM 869 O VAL A 56 -1.112 10.160 4.696 1.00 0.25 O ATOM 870 CB VAL A 56 0.557 11.368 2.597 1.00 0.29 C ATOM 871 CG1 VAL A 56 1.777 10.609 3.103 1.00 1.48 C ATOM 872 CG2 VAL A 56 0.893 12.109 1.314 1.00 1.32 C ATOM 0 H VAL A 56 -1.895 12.079 2.354 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.364 9.754 1.536 1.00 0.24 H new ATOM 0 HB VAL A 56 0.267 12.092 3.358 1.00 0.29 H new ATOM 0 HG11 VAL A 56 2.600 11.306 3.259 1.00 1.48 H new ATOM 0 HG12 VAL A 56 1.535 10.117 4.045 1.00 1.48 H new ATOM 0 HG13 VAL A 56 2.070 9.860 2.367 1.00 1.48 H new ATOM 0 HG21 VAL A 56 1.733 12.781 1.491 1.00 1.32 H new ATOM 0 HG22 VAL A 56 1.160 11.391 0.539 1.00 1.32 H new ATOM 0 HG23 VAL A 56 0.027 12.687 0.990 1.00 1.32 H new ATOM 882 N TYR A 57 -0.891 8.288 3.486 1.00 0.22 N ATOM 883 CA TYR A 57 -1.176 7.415 4.604 1.00 0.25 C ATOM 884 C TYR A 57 0.091 6.744 5.101 1.00 0.25 C ATOM 885 O TYR A 57 0.908 6.263 4.314 1.00 0.27 O ATOM 886 CB TYR A 57 -2.202 6.357 4.206 1.00 0.27 C ATOM 887 CG TYR A 57 -3.608 6.895 4.058 1.00 0.31 C ATOM 888 CD1 TYR A 57 -4.252 7.516 5.118 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.283 6.792 2.847 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.535 8.015 4.979 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.564 7.286 2.701 1.00 0.47 C ATOM 892 CZ TYR A 57 -6.200 7.869 3.802 1.00 0.46 C ATOM 893 OH TYR A 57 -7.458 8.399 3.619 1.00 0.54 O ATOM 0 H TYR A 57 -0.695 7.804 2.610 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.587 8.022 5.410 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -1.895 5.904 3.263 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.203 5.565 4.955 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.744 7.611 6.066 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -3.797 6.318 2.007 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -6.009 8.521 5.807 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -6.069 7.223 1.748 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.771 8.193 2.714 1.00 0.54 H new ATOM 903 N ARG A 58 0.249 6.727 6.413 1.00 0.27 N ATOM 904 CA ARG A 58 1.389 6.080 7.035 1.00 0.31 C ATOM 905 C ARG A 58 1.002 4.657 7.409 1.00 0.27 C ATOM 906 O ARG A 58 0.162 4.437 8.287 1.00 0.31 O ATOM 907 CB ARG A 58 1.853 6.875 8.265 1.00 0.42 C ATOM 908 CG ARG A 58 3.230 6.476 8.798 1.00 0.55 C ATOM 909 CD ARG A 58 3.165 5.297 9.761 1.00 1.11 C ATOM 910 NE ARG A 58 2.382 5.610 10.957 1.00 1.70 N ATOM 911 CZ ARG A 58 2.670 5.174 12.183 1.00 2.56 C ATOM 912 NH1 ARG A 58 3.744 4.422 12.405 1.00 3.09 N ATOM 913 NH2 ARG A 58 1.882 5.513 13.194 1.00 3.26 N ATOM 0 H ARG A 58 -0.402 7.156 7.070 1.00 0.27 H new ATOM 0 HA ARG A 58 2.225 6.048 6.336 1.00 0.31 H new ATOM 0 HB2 ARG A 58 1.869 7.935 8.011 1.00 0.42 H new ATOM 0 HB3 ARG A 58 1.119 6.749 9.061 1.00 0.42 H new ATOM 0 HG2 ARG A 58 3.880 6.221 7.961 1.00 0.55 H new ATOM 0 HG3 ARG A 58 3.681 7.330 9.304 1.00 0.55 H new ATOM 0 HD2 ARG A 58 2.725 4.438 9.254 1.00 1.11 H new ATOM 0 HD3 ARG A 58 4.175 5.011 10.053 1.00 1.11 H new ATOM 0 HE ARG A 58 1.559 6.203 10.845 1.00 1.70 H new ATOM 0 HH11 ARG A 58 4.360 4.172 11.632 1.00 3.09 H new ATOM 0 HH12 ARG A 58 3.952 4.096 13.349 1.00 3.09 H new ATOM 0 HH21 ARG A 58 1.065 6.101 13.029 1.00 3.26 H new ATOM 0 HH22 ARG A 58 2.092 5.185 14.137 1.00 3.26 H new ATOM 927 N VAL A 59 1.600 3.701 6.721 1.00 0.25 N ATOM 928 CA VAL A 59 1.271 2.304 6.908 1.00 0.25 C ATOM 929 C VAL A 59 1.874 1.762 8.183 1.00 0.25 C ATOM 930 O VAL A 59 3.094 1.834 8.388 1.00 0.26 O ATOM 931 CB VAL A 59 1.764 1.430 5.743 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.364 -0.016 5.966 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.217 1.924 4.424 1.00 0.36 C ATOM 0 H VAL A 59 2.323 3.872 6.022 1.00 0.25 H new ATOM 0 HA VAL A 59 0.183 2.260 6.957 1.00 0.25 H new ATOM 0 HB VAL A 59 2.851 1.497 5.707 1.00 0.31 H new ATOM 0 HG11 VAL A 59 1.719 -0.624 5.134 1.00 0.45 H new ATOM 0 HG12 VAL A 59 1.807 -0.377 6.894 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.278 -0.087 6.030 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.582 1.288 3.618 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.128 1.892 4.447 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.547 2.949 4.254 1.00 0.36 H new ATOM 943 N ASN A 60 1.007 1.227 9.030 1.00 0.28 N ATOM 944 CA ASN A 60 1.428 0.496 10.209 1.00 0.32 C ATOM 945 C ASN A 60 1.661 -0.957 9.816 1.00 0.32 C ATOM 946 O ASN A 60 2.572 -1.609 10.319 1.00 0.37 O ATOM 947 CB ASN A 60 0.360 0.604 11.309 1.00 0.41 C ATOM 948 CG ASN A 60 0.842 0.140 12.678 1.00 1.12 C ATOM 949 OD1 ASN A 60 1.705 -0.725 12.796 1.00 1.92 O ATOM 950 ND2 ASN A 60 0.283 0.723 13.729 1.00 1.68 N ATOM 0 H ASN A 60 -0.005 1.289 8.917 1.00 0.28 H new ATOM 0 HA ASN A 60 2.352 0.917 10.604 1.00 0.32 H new ATOM 0 HB2 ASN A 60 0.030 1.640 11.382 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -0.508 0.012 11.019 1.00 0.41 H new ATOM 0 HD21 ASN A 60 0.567 0.456 14.671 1.00 1.68 H new ATOM 0 HD22 ASN A 60 -0.432 1.439 13.595 1.00 1.68 H new ATOM 957 N GLY A 61 0.848 -1.449 8.886 1.00 0.40 N ATOM 958 CA GLY A 61 1.040 -2.794 8.387 1.00 0.47 C ATOM 959 C GLY A 61 -0.090 -3.268 7.499 1.00 0.43 C ATOM 960 O GLY A 61 -0.694 -2.475 6.771 1.00 0.43 O ATOM 0 H GLY A 61 0.065 -0.942 8.473 1.00 0.40 H new ATOM 0 HA2 GLY A 61 1.975 -2.837 7.828 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.141 -3.477 9.231 1.00 0.47 H new ATOM 964 N LEU A 62 -0.383 -4.561 7.558 1.00 0.41 N ATOM 965 CA LEU A 62 -1.362 -5.170 6.671 1.00 0.38 C ATOM 966 C LEU A 62 -2.421 -5.938 7.448 1.00 0.38 C ATOM 967 O LEU A 62 -2.199 -6.367 8.579 1.00 0.42 O ATOM 968 CB LEU A 62 -0.666 -6.106 5.684 1.00 0.39 C ATOM 969 CG LEU A 62 0.167 -5.404 4.619 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.777 -6.414 3.671 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.687 -4.413 3.857 1.00 0.55 C ATOM 0 H LEU A 62 0.048 -5.211 8.216 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.859 -4.367 6.126 1.00 0.38 H new ATOM 0 HB2 LEU A 62 -0.021 -6.785 6.242 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.421 -6.718 5.190 1.00 0.39 H new ATOM 0 HG LEU A 62 0.976 -4.863 5.111 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.368 -5.894 2.917 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.419 -7.096 4.229 1.00 0.43 H new ATOM 0 HD13 LEU A 62 -0.016 -6.980 3.183 1.00 0.43 H new ATOM 0 HD21 LEU A 62 -0.081 -3.918 3.099 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.512 -4.938 3.376 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -1.084 -3.669 4.547 1.00 0.55 H new ATOM 983 N SER A 63 -3.580 -6.094 6.826 1.00 0.36 N ATOM 984 CA SER A 63 -4.699 -6.793 7.436 1.00 0.40 C ATOM 985 C SER A 63 -4.554 -8.301 7.294 1.00 0.46 C ATOM 986 O SER A 63 -4.164 -8.812 6.246 1.00 0.62 O ATOM 987 CB SER A 63 -6.004 -6.336 6.793 1.00 0.44 C ATOM 988 OG SER A 63 -6.139 -4.932 6.880 1.00 1.45 O ATOM 0 H SER A 63 -3.770 -5.741 5.888 1.00 0.36 H new ATOM 0 HA SER A 63 -4.710 -6.554 8.499 1.00 0.40 H new ATOM 0 HB2 SER A 63 -6.028 -6.645 5.748 1.00 0.44 H new ATOM 0 HB3 SER A 63 -6.847 -6.819 7.287 1.00 0.44 H new ATOM 0 HG SER A 63 -5.500 -4.504 6.272 1.00 1.45 H new ATOM 994 N ARG A 64 -4.862 -8.982 8.394 1.00 0.73 N ATOM 995 CA ARG A 64 -4.834 -10.443 8.477 1.00 0.94 C ATOM 996 C ARG A 64 -5.589 -11.118 7.332 1.00 0.65 C ATOM 997 O ARG A 64 -5.262 -12.241 6.949 1.00 0.72 O ATOM 998 CB ARG A 64 -5.444 -10.888 9.802 1.00 1.40 C ATOM 999 CG ARG A 64 -4.595 -10.562 11.016 1.00 2.25 C ATOM 1000 CD ARG A 64 -5.414 -10.625 12.295 1.00 2.62 C ATOM 1001 NE ARG A 64 -6.268 -11.815 12.355 1.00 3.28 N ATOM 1002 CZ ARG A 64 -6.420 -12.567 13.444 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -5.720 -12.305 14.540 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -7.263 -13.595 13.431 1.00 4.70 N ATOM 0 H ARG A 64 -5.142 -8.531 9.265 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.789 -10.746 8.405 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -6.420 -10.416 9.917 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -5.613 -11.964 9.769 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -3.763 -11.263 11.079 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -4.165 -9.566 10.905 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -4.742 -10.620 13.154 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -6.034 -9.732 12.370 1.00 2.62 H new ATOM 0 HE ARG A 64 -6.776 -12.083 11.512 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -5.062 -11.525 14.551 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -5.839 -12.883 15.372 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -7.794 -13.808 12.587 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -7.379 -14.170 14.265 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.599 -10.442 6.798 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.419 -11.008 5.739 1.00 0.32 C ATOM 1020 C ALA A 65 -7.436 -10.105 4.504 1.00 0.30 C ATOM 1021 O ALA A 65 -7.303 -8.881 4.611 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.833 -11.242 6.248 1.00 0.47 C ATOM 0 H ALA A 65 -6.868 -9.500 7.083 1.00 0.45 H new ATOM 0 HA ALA A 65 -6.983 -11.962 5.443 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.442 -11.666 5.449 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.807 -11.933 7.090 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -9.265 -10.295 6.570 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.567 -10.716 3.314 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.662 -10.002 2.031 1.00 0.29 C ATOM 1030 C PRO A 66 -8.941 -9.178 1.908 1.00 0.27 C ATOM 1031 O PRO A 66 -9.951 -9.459 2.559 1.00 0.26 O ATOM 1032 CB PRO A 66 -7.667 -11.129 0.988 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.141 -12.320 1.703 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.600 -12.172 3.118 1.00 0.27 C ATOM 0 HA PRO A 66 -6.846 -9.289 1.913 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -8.672 -11.310 0.608 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.043 -10.876 0.131 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.520 -13.242 1.262 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.053 -12.363 1.646 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.601 -12.578 3.264 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.941 -12.690 3.815 1.00 0.27 H new ATOM 1042 N ALA A 67 -8.887 -8.174 1.033 1.00 0.29 N ATOM 1043 CA ALA A 67 -9.989 -7.230 0.838 1.00 0.28 C ATOM 1044 C ALA A 67 -11.240 -7.921 0.312 1.00 0.26 C ATOM 1045 O ALA A 67 -12.332 -7.349 0.324 1.00 0.27 O ATOM 1046 CB ALA A 67 -9.564 -6.126 -0.116 1.00 0.35 C ATOM 0 H ALA A 67 -8.078 -7.992 0.439 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.233 -6.800 1.809 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.390 -5.428 -0.256 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -8.707 -5.596 0.300 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.290 -6.561 -1.077 1.00 0.35 H new ATOM 1052 N SER A 68 -11.065 -9.146 -0.164 1.00 0.30 N ATOM 1053 CA SER A 68 -12.171 -9.950 -0.656 1.00 0.35 C ATOM 1054 C SER A 68 -13.163 -10.296 0.461 1.00 0.31 C ATOM 1055 O SER A 68 -14.362 -10.419 0.212 1.00 0.40 O ATOM 1056 CB SER A 68 -11.640 -11.235 -1.287 1.00 0.48 C ATOM 1057 OG SER A 68 -10.698 -10.952 -2.305 1.00 1.42 O ATOM 0 H SER A 68 -10.157 -9.607 -0.219 1.00 0.30 H new ATOM 0 HA SER A 68 -12.700 -9.361 -1.405 1.00 0.35 H new ATOM 0 HB2 SER A 68 -11.176 -11.855 -0.520 1.00 0.48 H new ATOM 0 HB3 SER A 68 -12.468 -11.809 -1.703 1.00 0.48 H new ATOM 0 HG SER A 68 -10.411 -10.017 -2.235 1.00 1.42 H new ATOM 1063 N SER A 69 -12.671 -10.445 1.690 1.00 0.28 N ATOM 1064 CA SER A 69 -13.521 -10.901 2.783 1.00 0.37 C ATOM 1065 C SER A 69 -13.441 -9.975 4.003 1.00 0.33 C ATOM 1066 O SER A 69 -14.073 -10.234 5.028 1.00 0.42 O ATOM 1067 CB SER A 69 -13.136 -12.334 3.173 1.00 0.50 C ATOM 1068 OG SER A 69 -14.116 -12.927 4.009 1.00 1.46 O ATOM 0 H SER A 69 -11.702 -10.259 1.950 1.00 0.28 H new ATOM 0 HA SER A 69 -14.553 -10.881 2.434 1.00 0.37 H new ATOM 0 HB2 SER A 69 -13.012 -12.936 2.273 1.00 0.50 H new ATOM 0 HB3 SER A 69 -12.175 -12.326 3.687 1.00 0.50 H new ATOM 0 HG SER A 69 -14.565 -12.230 4.532 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.677 -8.894 3.897 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.547 -7.956 5.002 1.00 0.35 C ATOM 1076 C GLU A 70 -13.702 -6.967 5.037 1.00 0.37 C ATOM 1077 O GLU A 70 -13.961 -6.261 4.060 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.226 -7.206 4.921 1.00 0.42 C ATOM 1079 CG GLU A 70 -10.102 -7.881 5.685 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.376 -7.963 7.174 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -10.142 -6.963 7.885 1.00 1.26 O ATOM 1082 OE2 GLU A 70 -10.840 -9.022 7.639 1.00 1.03 O ATOM 0 H GLU A 70 -12.143 -8.648 3.064 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.570 -8.538 5.923 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.936 -7.107 3.875 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.365 -6.197 5.310 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -9.952 -8.886 5.291 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -9.175 -7.333 5.520 1.00 0.78 H new ATOM 1089 N THR A 71 -14.394 -6.937 6.163 1.00 0.44 N ATOM 1090 CA THR A 71 -15.480 -6.000 6.374 1.00 0.48 C ATOM 1091 C THR A 71 -14.975 -4.742 7.066 1.00 0.58 C ATOM 1092 O THR A 71 -14.058 -4.796 7.888 1.00 0.85 O ATOM 1093 CB THR A 71 -16.604 -6.632 7.220 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.072 -7.131 8.456 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.278 -7.763 6.458 1.00 0.62 C ATOM 0 H THR A 71 -14.219 -7.559 6.952 1.00 0.44 H new ATOM 0 HA THR A 71 -15.882 -5.738 5.395 1.00 0.48 H new ATOM 0 HB THR A 71 -17.346 -5.862 7.433 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.794 -7.529 8.986 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.068 -8.195 7.072 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.708 -7.374 5.535 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.542 -8.531 6.220 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.573 -3.615 6.730 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.265 -2.357 7.384 1.00 0.59 C ATOM 1105 C PHE A 72 -16.513 -1.489 7.352 1.00 0.68 C ATOM 1106 O PHE A 72 -17.390 -1.700 6.511 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.074 -1.650 6.717 1.00 0.58 C ATOM 1108 CG PHE A 72 -14.396 -0.970 5.420 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.577 -1.717 4.266 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -14.528 0.407 5.351 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -14.878 -1.103 3.071 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -14.829 1.025 4.157 1.00 0.67 C ATOM 1113 CZ PHE A 72 -14.976 0.305 3.029 1.00 0.52 C ATOM 0 H PHE A 72 -16.282 -3.545 6.000 1.00 0.51 H new ATOM 0 HA PHE A 72 -14.970 -2.544 8.417 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -13.674 -0.910 7.410 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.286 -2.382 6.542 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.481 -2.792 4.305 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -14.394 1.002 6.242 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -15.037 -1.690 2.178 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -14.948 2.098 4.126 1.00 0.67 H new ATOM 0 HZ PHE A 72 -15.169 0.805 2.091 1.00 0.52 H new ATOM 1123 N GLU A 73 -16.608 -0.538 8.262 1.00 0.83 N ATOM 1124 CA GLU A 73 -17.811 0.265 8.377 1.00 0.94 C ATOM 1125 C GLU A 73 -17.700 1.546 7.560 1.00 0.99 C ATOM 1126 O GLU A 73 -16.887 2.424 7.855 1.00 1.09 O ATOM 1127 CB GLU A 73 -18.097 0.591 9.839 1.00 1.14 C ATOM 1128 CG GLU A 73 -19.477 1.185 10.062 1.00 1.27 C ATOM 1129 CD GLU A 73 -19.750 1.498 11.515 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -20.024 0.555 12.287 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -19.692 2.686 11.892 1.00 2.03 O ATOM 0 H GLU A 73 -15.872 -0.303 8.928 1.00 0.83 H new ATOM 0 HA GLU A 73 -18.641 -0.318 7.978 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -18.000 -0.318 10.433 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -17.344 1.291 10.202 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -19.575 2.097 9.474 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -20.231 0.488 9.697 1.00 1.27 H new ATOM 1138 N HIS A 74 -18.534 1.639 6.542 1.00 0.97 N ATOM 1139 CA HIS A 74 -18.605 2.812 5.691 1.00 1.06 C ATOM 1140 C HIS A 74 -20.066 3.166 5.482 1.00 1.17 C ATOM 1141 O HIS A 74 -20.870 2.289 5.162 1.00 1.05 O ATOM 1142 CB HIS A 74 -17.924 2.547 4.342 1.00 1.04 C ATOM 1143 CG HIS A 74 -17.958 3.714 3.395 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -18.317 3.556 2.080 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -17.644 5.014 3.612 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -18.213 4.752 1.531 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -17.806 5.669 2.418 1.00 1.28 N ATOM 0 H HIS A 74 -19.185 0.899 6.280 1.00 0.97 H new ATOM 0 HA HIS A 74 -18.084 3.642 6.169 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -16.885 2.268 4.520 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -18.406 1.693 3.866 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -17.327 5.451 4.547 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -18.429 4.965 0.495 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -17.647 6.661 2.240 1.00 1.28 H new ATOM 1155 N ASP A 75 -20.414 4.430 5.710 1.00 1.43 N ATOM 1156 CA ASP A 75 -21.791 4.897 5.540 1.00 1.59 C ATOM 1157 C ASP A 75 -22.705 4.238 6.579 1.00 1.49 C ATOM 1158 O ASP A 75 -23.927 4.240 6.456 1.00 1.50 O ATOM 1159 CB ASP A 75 -22.263 4.593 4.107 1.00 1.65 C ATOM 1160 CG ASP A 75 -23.623 5.176 3.774 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -23.698 6.373 3.416 1.00 2.27 O ATOM 1162 OD2 ASP A 75 -24.627 4.444 3.892 1.00 2.67 O ATOM 0 H ASP A 75 -19.761 5.152 6.014 1.00 1.43 H new ATOM 0 HA ASP A 75 -21.834 5.975 5.696 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -21.529 4.983 3.402 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -22.297 3.513 3.967 1.00 1.65 H new ATOM 1167 N GLY A 76 -22.102 3.686 7.624 1.00 1.43 N ATOM 1168 CA GLY A 76 -22.868 2.969 8.622 1.00 1.41 C ATOM 1169 C GLY A 76 -23.053 1.511 8.259 1.00 1.19 C ATOM 1170 O GLY A 76 -23.621 0.737 9.030 1.00 1.18 O ATOM 0 H GLY A 76 -21.097 3.722 7.797 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -22.364 3.041 9.586 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -23.844 3.440 8.737 1.00 1.41 H new ATOM 1174 N LYS A 77 -22.565 1.133 7.086 1.00 1.06 N ATOM 1175 CA LYS A 77 -22.718 -0.228 6.599 1.00 0.89 C ATOM 1176 C LYS A 77 -21.394 -0.978 6.700 1.00 0.77 C ATOM 1177 O LYS A 77 -20.336 -0.418 6.422 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.168 -0.226 5.134 1.00 0.87 C ATOM 1179 CG LYS A 77 -24.250 0.795 4.803 1.00 1.06 C ATOM 1180 CD LYS A 77 -25.533 0.529 5.566 1.00 1.13 C ATOM 1181 CE LYS A 77 -26.608 1.539 5.203 1.00 1.40 C ATOM 1182 NZ LYS A 77 -26.235 2.926 5.591 1.00 2.19 N ATOM 0 H LYS A 77 -22.059 1.753 6.453 1.00 1.06 H new ATOM 0 HA LYS A 77 -23.471 -0.722 7.213 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -22.301 -0.035 4.502 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -23.535 -1.220 4.879 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -23.889 1.796 5.039 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -24.454 0.774 3.732 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -25.888 -0.478 5.346 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -25.337 0.571 6.637 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -26.791 1.501 4.129 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -27.541 1.265 5.695 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -27.061 3.406 6.001 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -25.468 2.896 6.293 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -25.914 3.447 4.750 1.00 2.19 H new ATOM 1196 N LYS A 78 -21.446 -2.237 7.103 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.261 -3.080 7.068 1.00 0.71 C ATOM 1198 C LYS A 78 -20.196 -3.801 5.735 1.00 0.61 C ATOM 1199 O LYS A 78 -20.984 -4.710 5.469 1.00 0.70 O ATOM 1200 CB LYS A 78 -20.258 -4.088 8.217 1.00 0.88 C ATOM 1201 CG LYS A 78 -20.127 -3.448 9.587 1.00 1.05 C ATOM 1202 CD LYS A 78 -20.158 -4.489 10.700 1.00 1.31 C ATOM 1203 CE LYS A 78 -18.998 -5.469 10.586 1.00 1.47 C ATOM 1204 NZ LYS A 78 -18.964 -6.435 11.718 1.00 1.55 N ATOM 0 H LYS A 78 -22.287 -2.695 7.455 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.382 -2.446 7.186 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -21.180 -4.668 8.183 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -19.436 -4.789 8.072 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -19.194 -2.887 9.639 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -20.937 -2.734 9.734 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -20.118 -3.989 11.668 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -21.101 -5.035 10.662 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -19.078 -6.016 9.646 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -18.059 -4.916 10.554 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -18.159 -7.082 11.598 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -18.862 -5.917 12.614 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -19.848 -6.982 11.734 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.261 -3.387 4.903 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.125 -3.930 3.564 1.00 0.42 C ATOM 1220 C VAL A 79 -17.732 -4.510 3.406 1.00 0.37 C ATOM 1221 O VAL A 79 -16.904 -4.380 4.307 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.345 -2.841 2.486 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -20.760 -2.284 2.553 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.329 -1.717 2.637 1.00 0.34 C ATOM 0 H VAL A 79 -18.576 -2.667 5.134 1.00 0.51 H new ATOM 0 HA VAL A 79 -19.883 -4.702 3.428 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.205 -3.307 1.510 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -20.887 -1.521 1.785 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.476 -3.089 2.387 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -20.931 -1.843 3.535 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.503 -0.964 1.869 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.434 -1.262 3.622 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.322 -2.120 2.528 1.00 0.34 H new ATOM 1234 N THR A 80 -17.464 -5.133 2.273 1.00 0.34 N ATOM 1235 CA THR A 80 -16.136 -5.632 1.997 1.00 0.30 C ATOM 1236 C THR A 80 -15.466 -4.691 1.017 1.00 0.23 C ATOM 1237 O THR A 80 -16.136 -4.153 0.140 1.00 0.21 O ATOM 1238 CB THR A 80 -16.165 -7.060 1.418 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.020 -7.106 0.267 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.653 -8.056 2.457 1.00 0.65 C ATOM 0 H THR A 80 -18.147 -5.303 1.535 1.00 0.34 H new ATOM 0 HA THR A 80 -15.579 -5.677 2.933 1.00 0.30 H new ATOM 0 HB THR A 80 -15.150 -7.330 1.128 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.031 -8.016 -0.096 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.665 -9.057 2.025 1.00 0.65 H new ATOM 0 HG22 THR A 80 -15.985 -8.041 3.318 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.660 -7.786 2.775 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.168 -4.480 1.161 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.457 -3.508 0.333 1.00 0.23 C ATOM 1250 C ILE A 81 -13.611 -3.820 -1.158 1.00 0.20 C ATOM 1251 O ILE A 81 -13.716 -2.909 -1.985 1.00 0.22 O ATOM 1252 CB ILE A 81 -11.964 -3.446 0.724 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -11.834 -2.999 2.180 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.193 -2.507 -0.189 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.420 -3.044 2.706 1.00 0.71 C ATOM 0 H ILE A 81 -13.582 -4.965 1.841 1.00 0.24 H new ATOM 0 HA ILE A 81 -13.904 -2.531 0.515 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.536 -4.442 0.611 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.215 -1.982 2.274 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -12.464 -3.634 2.803 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.146 -2.485 0.112 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.267 -2.858 -1.218 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.612 -1.503 -0.117 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -10.407 -2.713 3.744 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.042 -4.064 2.646 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.788 -2.387 2.108 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.663 -5.106 -1.491 1.00 0.17 N ATOM 1268 CA ALA A 82 -13.844 -5.540 -2.875 1.00 0.17 C ATOM 1269 C ALA A 82 -15.172 -5.034 -3.449 1.00 0.18 C ATOM 1270 O ALA A 82 -15.211 -4.473 -4.545 1.00 0.21 O ATOM 1271 CB ALA A 82 -13.768 -7.059 -2.964 1.00 0.17 C ATOM 0 H ALA A 82 -13.582 -5.870 -0.820 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.039 -5.110 -3.472 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -13.904 -7.370 -4.000 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -12.794 -7.396 -2.609 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.551 -7.499 -2.347 1.00 0.17 H new ATOM 1277 N SER A 83 -16.252 -5.226 -2.700 1.00 0.18 N ATOM 1278 CA SER A 83 -17.579 -4.798 -3.131 1.00 0.20 C ATOM 1279 C SER A 83 -17.717 -3.278 -3.020 1.00 0.21 C ATOM 1280 O SER A 83 -18.408 -2.632 -3.812 1.00 0.25 O ATOM 1281 CB SER A 83 -18.641 -5.496 -2.272 1.00 0.23 C ATOM 1282 OG SER A 83 -19.952 -5.222 -2.729 1.00 1.11 O ATOM 0 H SER A 83 -16.234 -5.678 -1.786 1.00 0.18 H new ATOM 0 HA SER A 83 -17.722 -5.074 -4.176 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.469 -6.572 -2.286 1.00 0.23 H new ATOM 0 HB3 SER A 83 -18.542 -5.170 -1.236 1.00 0.23 H new ATOM 0 HG SER A 83 -20.601 -5.685 -2.158 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.036 -2.730 -2.031 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.067 -1.308 -1.732 1.00 0.24 C ATOM 1290 C TYR A 84 -16.491 -0.475 -2.876 1.00 0.25 C ATOM 1291 O TYR A 84 -17.090 0.517 -3.282 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.316 -1.083 -0.417 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.662 0.265 -0.248 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.409 1.414 -0.034 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.281 0.372 -0.269 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -15.793 2.635 0.150 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.657 1.585 -0.089 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.415 2.716 0.123 1.00 0.39 C ATOM 1299 OH TYR A 84 -13.794 3.932 0.309 1.00 0.49 O ATOM 0 H TYR A 84 -16.437 -3.266 -1.403 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.099 -0.976 -1.621 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -17.015 -1.231 0.407 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.548 -1.851 -0.325 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.487 1.352 -0.011 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.683 -0.513 -0.430 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.386 3.523 0.314 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.579 1.650 -0.114 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.578 4.326 -0.562 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.340 -0.873 -3.404 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.774 -0.174 -4.550 1.00 0.23 C ATOM 1311 C PHE A 85 -15.549 -0.513 -5.819 1.00 0.25 C ATOM 1312 O PHE A 85 -15.706 0.327 -6.703 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.289 -0.497 -4.725 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.393 0.283 -3.803 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.131 1.619 -4.050 1.00 0.48 C ATOM 1316 CD2 PHE A 85 -11.811 -0.316 -2.697 1.00 0.35 C ATOM 1317 CE1 PHE A 85 -11.307 2.344 -3.214 1.00 0.54 C ATOM 1318 CE2 PHE A 85 -10.983 0.410 -1.855 1.00 0.39 C ATOM 1319 CZ PHE A 85 -10.733 1.738 -2.115 1.00 0.39 C ATOM 0 H PHE A 85 -14.789 -1.661 -3.065 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.861 0.896 -4.363 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.134 -1.562 -4.554 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.000 -0.295 -5.756 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.577 2.100 -4.908 1.00 0.48 H new ATOM 0 HD2 PHE A 85 -12.004 -1.358 -2.489 1.00 0.35 H new ATOM 0 HE1 PHE A 85 -11.111 3.386 -3.420 1.00 0.54 H new ATOM 0 HE2 PHE A 85 -10.534 -0.066 -0.996 1.00 0.39 H new ATOM 0 HZ PHE A 85 -10.088 2.305 -1.460 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.056 -1.739 -5.884 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.819 -2.203 -7.040 1.00 0.29 C ATOM 1331 C HIS A 86 -18.055 -1.328 -7.263 1.00 0.31 C ATOM 1332 O HIS A 86 -18.290 -0.839 -8.373 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.225 -3.669 -6.842 1.00 0.31 C ATOM 1334 CG HIS A 86 -17.924 -4.280 -8.017 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -19.183 -4.818 -7.897 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -17.497 -4.433 -9.294 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -19.493 -5.283 -9.094 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -18.503 -5.074 -9.973 1.00 1.19 N ATOM 0 H HIS A 86 -15.952 -2.435 -5.145 1.00 0.24 H new ATOM 0 HA HIS A 86 -16.190 -2.127 -7.927 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.332 -4.254 -6.621 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -17.876 -3.739 -5.970 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -16.549 -4.113 -9.699 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -20.427 -5.770 -9.334 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -18.498 -5.340 -10.958 1.00 1.19 H new ATOM 1346 N SER A 87 -18.827 -1.110 -6.204 1.00 0.33 N ATOM 1347 CA SER A 87 -20.023 -0.281 -6.287 1.00 0.37 C ATOM 1348 C SER A 87 -19.649 1.195 -6.416 1.00 0.36 C ATOM 1349 O SER A 87 -20.420 2.014 -6.916 1.00 0.44 O ATOM 1350 CB SER A 87 -20.895 -0.512 -5.050 1.00 0.44 C ATOM 1351 OG SER A 87 -20.118 -0.456 -3.863 1.00 1.34 O ATOM 0 H SER A 87 -18.645 -1.496 -5.278 1.00 0.33 H new ATOM 0 HA SER A 87 -20.588 -0.562 -7.176 1.00 0.37 H new ATOM 0 HB2 SER A 87 -21.682 0.241 -5.010 1.00 0.44 H new ATOM 0 HB3 SER A 87 -21.386 -1.483 -5.122 1.00 0.44 H new ATOM 0 HG SER A 87 -19.615 -1.291 -3.761 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.446 1.515 -5.968 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.923 2.870 -6.062 1.00 0.36 C ATOM 1359 C ARG A 88 -17.389 3.138 -7.470 1.00 0.38 C ATOM 1360 O ARG A 88 -16.777 4.175 -7.728 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.831 3.086 -5.017 1.00 0.44 C ATOM 1362 CG ARG A 88 -16.526 4.545 -4.725 1.00 0.83 C ATOM 1363 CD ARG A 88 -17.767 5.307 -4.286 1.00 1.10 C ATOM 1364 NE ARG A 88 -18.505 5.869 -5.421 1.00 1.79 N ATOM 1365 CZ ARG A 88 -19.751 6.338 -5.343 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -20.444 6.211 -4.217 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -20.310 6.917 -6.400 1.00 3.30 N ATOM 0 H ARG A 88 -17.808 0.849 -5.532 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.731 3.574 -5.865 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -17.130 2.597 -4.090 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -15.918 2.597 -5.356 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -15.767 4.608 -3.946 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -16.108 5.014 -5.616 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -18.421 4.640 -3.725 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -17.477 6.111 -3.610 1.00 1.10 H new ATOM 0 HE ARG A 88 -18.037 5.903 -6.326 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -20.023 5.754 -3.408 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -21.397 6.571 -4.161 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -19.786 7.003 -7.271 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -21.263 7.276 -6.341 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.634 2.179 -8.366 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.287 2.296 -9.784 1.00 0.44 C ATOM 1383 C ASN A 89 -15.786 2.176 -10.001 1.00 0.48 C ATOM 1384 O ASN A 89 -15.215 2.823 -10.885 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.811 3.603 -10.400 1.00 0.51 C ATOM 1386 CG ASN A 89 -19.315 3.598 -10.627 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -19.808 4.198 -11.582 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -20.058 2.943 -9.748 1.00 1.87 N ATOM 0 H ASN A 89 -18.081 1.294 -8.126 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.777 1.466 -10.294 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -17.552 4.435 -9.745 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -17.307 3.776 -11.351 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -21.073 2.925 -9.851 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -19.616 2.456 -8.968 1.00 1.87 H new ATOM 1395 N TYR A 90 -15.147 1.352 -9.185 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.756 0.990 -9.401 1.00 0.36 C ATOM 1397 C TYR A 90 -13.548 -0.491 -9.110 1.00 0.33 C ATOM 1398 O TYR A 90 -13.217 -0.869 -7.988 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.809 1.821 -8.530 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.352 1.588 -8.876 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.799 2.139 -10.024 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.535 0.797 -8.070 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.479 1.914 -10.363 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.213 0.563 -8.406 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.691 1.125 -9.552 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.376 0.893 -9.892 1.00 0.73 O ATOM 0 H TYR A 90 -15.572 0.920 -8.364 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.523 1.198 -10.445 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -13.043 2.879 -8.650 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -12.974 1.575 -7.481 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.413 2.755 -10.664 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -10.940 0.360 -7.169 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -9.066 2.354 -11.259 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.594 -0.056 -7.774 1.00 0.51 H new ATOM 0 HH TYR A 90 -7.026 1.662 -10.389 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.764 -1.352 -10.113 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.506 -2.783 -9.977 1.00 0.38 C ATOM 1418 C PRO A 91 -12.027 -3.045 -9.728 1.00 0.36 C ATOM 1419 O PRO A 91 -11.175 -2.711 -10.560 1.00 0.45 O ATOM 1420 CB PRO A 91 -13.949 -3.364 -11.322 1.00 0.45 C ATOM 1421 CG PRO A 91 -13.919 -2.212 -12.267 1.00 0.50 C ATOM 1422 CD PRO A 91 -14.268 -1.003 -11.449 1.00 0.47 C ATOM 0 HA PRO A 91 -14.033 -3.230 -9.134 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.279 -4.160 -11.648 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -14.948 -3.795 -11.256 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -12.934 -2.105 -12.722 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.632 -2.354 -13.079 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.793 -0.102 -11.837 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -15.342 -0.818 -11.440 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.726 -3.614 -8.570 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.352 -3.871 -8.175 1.00 0.32 C ATOM 1432 C LEU A 92 -9.655 -4.788 -9.160 1.00 0.30 C ATOM 1433 O LEU A 92 -10.184 -5.828 -9.556 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.294 -4.490 -6.784 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.596 -3.535 -5.633 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.668 -4.292 -4.316 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.531 -2.457 -5.566 1.00 0.32 C ATOM 0 H LEU A 92 -12.422 -3.908 -7.884 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.836 -2.911 -8.165 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -11.002 -5.318 -6.743 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.300 -4.912 -6.633 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.564 -3.066 -5.810 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -10.884 -3.594 -3.507 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.458 -5.041 -4.370 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -9.714 -4.783 -4.126 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -9.752 -1.778 -4.742 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.556 -2.918 -5.405 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.518 -1.899 -6.502 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.456 -4.386 -9.547 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.654 -5.158 -10.465 1.00 0.30 C ATOM 1451 C LYS A 93 -7.111 -6.387 -9.762 1.00 0.31 C ATOM 1452 O LYS A 93 -6.874 -7.420 -10.382 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.512 -4.301 -11.003 1.00 0.38 C ATOM 1454 CG LYS A 93 -6.984 -3.030 -11.692 1.00 0.53 C ATOM 1455 CD LYS A 93 -5.831 -2.274 -12.337 1.00 0.84 C ATOM 1456 CE LYS A 93 -5.094 -3.130 -13.355 1.00 1.06 C ATOM 1457 NZ LYS A 93 -5.991 -3.621 -14.435 1.00 1.55 N ATOM 0 H LYS A 93 -8.018 -3.520 -9.233 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.272 -5.479 -11.303 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -5.849 -4.035 -10.180 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -5.925 -4.891 -11.707 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -7.724 -3.282 -12.452 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -7.480 -2.386 -10.966 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -6.212 -1.377 -12.824 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -5.134 -1.946 -11.565 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -4.283 -2.550 -13.795 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -4.639 -3.981 -12.849 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -5.424 -4.083 -15.174 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -6.668 -4.304 -14.040 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -6.509 -2.819 -14.847 1.00 1.55 H new ATOM 1471 N PHE A 94 -6.920 -6.262 -8.454 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.419 -7.353 -7.633 1.00 0.44 C ATOM 1473 C PHE A 94 -7.145 -7.363 -6.286 1.00 0.44 C ATOM 1474 O PHE A 94 -6.577 -6.996 -5.265 1.00 0.48 O ATOM 1475 CB PHE A 94 -4.908 -7.196 -7.414 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.142 -6.923 -8.677 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -3.698 -7.964 -9.474 1.00 0.70 C ATOM 1478 CD2 PHE A 94 -3.874 -5.620 -9.066 1.00 0.57 C ATOM 1479 CE1 PHE A 94 -3.000 -7.711 -10.637 1.00 0.77 C ATOM 1480 CE2 PHE A 94 -3.174 -5.362 -10.228 1.00 0.61 C ATOM 1481 CZ PHE A 94 -2.738 -6.409 -11.015 1.00 0.70 C ATOM 0 H PHE A 94 -7.108 -5.404 -7.936 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.604 -8.297 -8.145 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -4.734 -6.382 -6.710 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.520 -8.104 -6.953 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -3.900 -8.984 -9.183 1.00 0.70 H new ATOM 0 HD2 PHE A 94 -4.216 -4.798 -8.454 1.00 0.57 H new ATOM 0 HE1 PHE A 94 -2.659 -8.531 -11.251 1.00 0.77 H new ATOM 0 HE2 PHE A 94 -2.968 -4.343 -10.521 1.00 0.61 H new ATOM 0 HZ PHE A 94 -2.192 -6.210 -11.926 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.423 -7.777 -6.268 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.249 -7.761 -5.053 1.00 0.52 C ATOM 1493 C PRO A 95 -8.800 -8.785 -4.013 1.00 0.51 C ATOM 1494 O PRO A 95 -9.234 -8.745 -2.861 1.00 0.55 O ATOM 1495 CB PRO A 95 -10.658 -8.116 -5.552 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.599 -8.027 -7.042 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.170 -8.287 -7.423 1.00 0.45 C ATOM 0 HA PRO A 95 -9.184 -6.794 -4.554 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -10.945 -9.118 -5.232 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.400 -7.427 -5.149 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.263 -8.759 -7.502 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -10.921 -7.044 -7.386 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -8.983 -9.348 -7.588 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -8.896 -7.768 -8.342 1.00 0.45 H new ATOM 1505 N GLN A 96 -7.920 -9.690 -4.423 1.00 0.56 N ATOM 1506 CA GLN A 96 -7.495 -10.796 -3.571 1.00 0.70 C ATOM 1507 C GLN A 96 -6.338 -10.404 -2.654 1.00 0.75 C ATOM 1508 O GLN A 96 -5.857 -11.230 -1.879 1.00 0.96 O ATOM 1509 CB GLN A 96 -7.075 -11.990 -4.426 1.00 0.83 C ATOM 1510 CG GLN A 96 -8.183 -12.550 -5.300 1.00 0.93 C ATOM 1511 CD GLN A 96 -7.713 -13.724 -6.136 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -6.543 -13.800 -6.519 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -8.615 -14.648 -6.420 1.00 2.31 N ATOM 0 H GLN A 96 -7.484 -9.680 -5.345 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.347 -11.064 -2.946 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -6.241 -11.692 -5.062 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -6.709 -12.781 -3.771 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -9.016 -12.864 -4.671 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -8.558 -11.765 -5.957 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -9.572 -14.547 -6.083 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -8.353 -15.462 -6.976 1.00 2.31 H new ATOM 1522 N LEU A 97 -5.884 -9.161 -2.742 1.00 0.67 N ATOM 1523 CA LEU A 97 -4.763 -8.716 -1.925 1.00 0.81 C ATOM 1524 C LEU A 97 -5.215 -8.373 -0.508 1.00 0.61 C ATOM 1525 O LEU A 97 -6.376 -8.025 -0.278 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.035 -7.521 -2.580 1.00 1.09 C ATOM 1527 CG LEU A 97 -4.892 -6.311 -2.992 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -5.352 -5.501 -1.788 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -4.113 -5.426 -3.953 1.00 2.44 C ATOM 0 H LEU A 97 -6.269 -8.450 -3.363 1.00 0.67 H new ATOM 0 HA LEU A 97 -4.055 -9.542 -1.858 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -3.270 -7.172 -1.887 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -3.519 -7.886 -3.468 1.00 1.09 H new ATOM 0 HG LEU A 97 -5.784 -6.692 -3.489 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -5.954 -4.657 -2.126 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -5.950 -6.133 -1.131 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -4.483 -5.132 -1.244 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -4.727 -4.572 -4.240 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -3.204 -5.073 -3.466 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -3.850 -5.998 -4.842 1.00 2.44 H new ATOM 1541 N HIS A 98 -4.294 -8.503 0.437 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.547 -8.124 1.817 1.00 0.51 C ATOM 1543 C HIS A 98 -4.736 -6.623 1.929 1.00 0.54 C ATOM 1544 O HIS A 98 -4.074 -5.841 1.238 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.398 -8.573 2.717 1.00 0.53 C ATOM 1546 CG HIS A 98 -3.321 -10.057 2.878 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -2.600 -10.834 2.010 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -3.895 -10.850 3.812 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -2.752 -12.079 2.430 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -3.530 -12.138 3.520 1.00 0.65 N ATOM 0 H HIS A 98 -3.358 -8.871 0.269 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.461 -8.620 2.143 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.457 -8.210 2.303 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.513 -8.113 3.699 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -4.521 -10.529 4.631 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -2.305 -12.940 1.955 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -3.798 -12.978 4.032 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.640 -6.235 2.807 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.982 -4.838 2.986 1.00 0.52 C ATOM 1560 C CYS A 99 -4.831 -4.092 3.638 1.00 0.45 C ATOM 1561 O CYS A 99 -4.306 -4.520 4.667 1.00 0.53 O ATOM 1562 CB CYS A 99 -7.229 -4.715 3.852 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.562 -5.828 3.371 1.00 0.55 S ATOM 0 H CYS A 99 -6.155 -6.874 3.412 1.00 0.46 H new ATOM 0 HA CYS A 99 -6.178 -4.399 2.008 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.960 -4.912 4.890 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.592 -3.688 3.807 1.00 0.64 H new ATOM 0 HG CYS A 99 -8.220 -7.054 3.635 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.427 -2.993 3.028 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.419 -2.134 3.614 1.00 0.30 C ATOM 1571 C LEU A 100 -4.011 -1.460 4.832 1.00 0.29 C ATOM 1572 O LEU A 100 -5.101 -0.895 4.760 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.939 -1.091 2.601 1.00 0.31 C ATOM 1574 CG LEU A 100 -1.860 -0.130 3.100 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.676 -0.920 3.618 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.412 0.798 1.981 1.00 0.40 C ATOM 0 H LEU A 100 -4.783 -2.675 2.126 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.554 -2.730 3.906 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.557 -1.613 1.723 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.799 -0.505 2.275 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.275 0.475 3.906 1.00 0.33 H new ATOM 0 HD11 LEU A 100 0.092 -0.233 3.973 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -0.997 -1.561 4.439 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.270 -1.535 2.815 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -0.644 1.475 2.355 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.007 0.208 1.159 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.264 1.377 1.626 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.309 -1.530 5.943 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.824 -0.992 7.181 1.00 0.32 C ATOM 1590 C ASN A 101 -3.032 0.243 7.569 1.00 0.30 C ATOM 1591 O ASN A 101 -1.910 0.152 8.085 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.763 -2.042 8.295 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.170 -1.482 9.647 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -5.005 -0.585 9.734 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -3.579 -2.005 10.713 1.00 0.89 N ATOM 0 H ASN A 101 -2.383 -1.953 6.013 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.868 -0.715 7.038 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -4.417 -2.876 8.039 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.750 -2.439 8.360 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -3.813 -1.663 11.645 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -2.890 -2.749 10.601 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.605 1.393 7.289 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.945 2.657 7.560 1.00 0.25 C ATOM 1604 C VAL A 102 -3.673 3.425 8.654 1.00 0.32 C ATOM 1605 O VAL A 102 -4.807 3.098 9.002 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.852 3.526 6.292 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.949 2.877 5.261 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.227 3.766 5.701 1.00 0.22 C ATOM 0 H VAL A 102 -4.531 1.482 6.872 1.00 0.26 H new ATOM 0 HA VAL A 102 -1.934 2.428 7.897 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.423 4.487 6.576 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.898 3.508 4.374 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.949 2.755 5.678 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.350 1.901 4.989 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.136 4.382 4.806 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.682 2.811 5.439 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.853 4.278 6.432 1.00 0.22 H new ATOM 1618 N GLY A 103 -3.005 4.422 9.210 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.622 5.252 10.223 1.00 0.50 C ATOM 1620 C GLY A 103 -3.010 5.037 11.587 1.00 0.65 C ATOM 1621 O GLY A 103 -1.875 5.447 11.838 1.00 0.90 O ATOM 0 H GLY A 103 -2.044 4.672 8.978 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.521 6.300 9.942 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.689 5.035 10.267 1.00 0.50 H new ATOM 1625 N SER A 104 -3.751 4.382 12.464 1.00 0.67 N ATOM 1626 CA SER A 104 -3.299 4.142 13.821 1.00 0.79 C ATOM 1627 C SER A 104 -3.883 2.834 14.350 1.00 0.79 C ATOM 1628 O SER A 104 -4.706 2.210 13.685 1.00 0.74 O ATOM 1629 CB SER A 104 -3.705 5.318 14.719 1.00 0.99 C ATOM 1630 OG SER A 104 -3.253 5.146 16.052 1.00 1.69 O ATOM 0 H SER A 104 -4.676 4.005 12.257 1.00 0.67 H new ATOM 0 HA SER A 104 -2.212 4.057 13.826 1.00 0.79 H new ATOM 0 HB2 SER A 104 -3.295 6.243 14.313 1.00 0.99 H new ATOM 0 HB3 SER A 104 -4.790 5.421 14.714 1.00 0.99 H new ATOM 0 HG SER A 104 -3.529 5.915 16.593 1.00 1.69 H new ATOM 1636 N SER A 105 -3.460 2.422 15.533 1.00 0.95 N ATOM 1637 CA SER A 105 -4.004 1.230 16.162 1.00 1.05 C ATOM 1638 C SER A 105 -5.497 1.411 16.446 1.00 1.13 C ATOM 1639 O SER A 105 -6.279 0.459 16.387 1.00 1.21 O ATOM 1640 CB SER A 105 -3.252 0.943 17.462 1.00 1.24 C ATOM 1641 OG SER A 105 -1.848 1.012 17.262 1.00 1.56 O ATOM 0 H SER A 105 -2.740 2.896 16.078 1.00 0.95 H new ATOM 0 HA SER A 105 -3.881 0.386 15.484 1.00 1.05 H new ATOM 0 HB2 SER A 105 -3.550 1.662 18.225 1.00 1.24 H new ATOM 0 HB3 SER A 105 -3.522 -0.046 17.832 1.00 1.24 H new ATOM 0 HG SER A 105 -1.388 0.827 18.107 1.00 1.56 H new ATOM 1647 N ILE A 106 -5.886 2.651 16.738 1.00 1.17 N ATOM 1648 CA ILE A 106 -7.276 2.968 17.052 1.00 1.29 C ATOM 1649 C ILE A 106 -8.100 3.191 15.784 1.00 1.21 C ATOM 1650 O ILE A 106 -9.279 2.841 15.732 1.00 1.34 O ATOM 1651 CB ILE A 106 -7.384 4.212 17.964 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -6.641 5.406 17.351 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -6.844 3.894 19.353 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -6.746 6.678 18.165 1.00 1.65 C ATOM 0 H ILE A 106 -5.256 3.453 16.763 1.00 1.17 H new ATOM 0 HA ILE A 106 -7.679 2.107 17.586 1.00 1.29 H new ATOM 0 HB ILE A 106 -8.436 4.484 18.054 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -5.589 5.146 17.236 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -7.035 5.592 16.352 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -6.925 4.778 19.986 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -7.422 3.080 19.790 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -5.798 3.597 19.277 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -6.195 7.476 17.666 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -7.794 6.964 18.259 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -6.325 6.511 19.156 1.00 1.65 H new ATOM 1666 N LYS A 107 -7.485 3.773 14.763 1.00 1.03 N ATOM 1667 CA LYS A 107 -8.166 3.996 13.500 1.00 0.98 C ATOM 1668 C LYS A 107 -7.516 3.180 12.396 1.00 0.82 C ATOM 1669 O LYS A 107 -6.431 3.508 11.920 1.00 0.77 O ATOM 1670 CB LYS A 107 -8.155 5.481 13.131 1.00 1.09 C ATOM 1671 CG LYS A 107 -9.103 6.338 13.964 1.00 1.56 C ATOM 1672 CD LYS A 107 -10.546 5.862 13.848 1.00 1.87 C ATOM 1673 CE LYS A 107 -11.068 5.946 12.418 1.00 1.81 C ATOM 1674 NZ LYS A 107 -11.202 7.350 11.943 1.00 2.29 N ATOM 0 H LYS A 107 -6.518 4.098 14.787 1.00 1.03 H new ATOM 0 HA LYS A 107 -9.202 3.676 13.613 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -7.141 5.865 13.245 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -8.419 5.585 12.079 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -8.794 6.311 15.009 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -9.035 7.376 13.639 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -10.616 4.832 14.198 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -11.179 6.464 14.500 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -10.393 5.404 11.756 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -12.038 5.451 12.359 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -11.608 7.355 10.985 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -11.827 7.876 12.587 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -10.265 7.801 11.924 1.00 2.29 H new ATOM 1688 N SER A 108 -8.202 2.132 11.983 1.00 0.80 N ATOM 1689 CA SER A 108 -7.686 1.220 10.980 1.00 0.69 C ATOM 1690 C SER A 108 -8.291 1.543 9.619 1.00 0.60 C ATOM 1691 O SER A 108 -9.436 1.188 9.336 1.00 0.74 O ATOM 1692 CB SER A 108 -8.007 -0.223 11.394 1.00 0.78 C ATOM 1693 OG SER A 108 -7.446 -1.178 10.511 1.00 1.43 O ATOM 0 H SER A 108 -9.129 1.889 12.332 1.00 0.80 H new ATOM 0 HA SER A 108 -6.604 1.332 10.903 1.00 0.69 H new ATOM 0 HB2 SER A 108 -7.632 -0.400 12.402 1.00 0.78 H new ATOM 0 HB3 SER A 108 -9.088 -0.356 11.428 1.00 0.78 H new ATOM 0 HG SER A 108 -6.474 -1.056 10.472 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.535 2.247 8.792 1.00 0.44 N ATOM 1700 CA ILE A 109 -7.978 2.562 7.447 1.00 0.39 C ATOM 1701 C ILE A 109 -7.535 1.453 6.514 1.00 0.35 C ATOM 1702 O ILE A 109 -6.339 1.283 6.268 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.383 3.881 6.929 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.198 4.887 8.060 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.270 4.469 5.840 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.160 5.930 7.728 1.00 0.42 C ATOM 0 H ILE A 109 -6.612 2.610 9.030 1.00 0.44 H new ATOM 0 HA ILE A 109 -9.063 2.662 7.475 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.401 3.664 6.508 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -8.149 5.377 8.268 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.905 4.361 8.968 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.836 5.403 5.482 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.346 3.764 5.012 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.264 4.662 6.245 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -6.062 6.625 8.562 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.201 5.444 7.546 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.465 6.476 6.835 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.484 0.693 6.008 1.00 0.36 N ATOM 1719 CA LEU A 110 -8.158 -0.438 5.163 1.00 0.31 C ATOM 1720 C LEU A 110 -8.379 -0.098 3.695 1.00 0.31 C ATOM 1721 O LEU A 110 -9.484 0.267 3.288 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.995 -1.656 5.554 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.918 -2.058 7.027 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.708 -3.333 7.267 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.472 -2.232 7.457 1.00 0.83 C ATOM 0 H LEU A 110 -9.482 0.836 6.165 1.00 0.36 H new ATOM 0 HA LEU A 110 -7.104 -0.676 5.307 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -10.037 -1.456 5.303 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.678 -2.504 4.946 1.00 0.34 H new ATOM 0 HG LEU A 110 -9.358 -1.262 7.628 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.644 -3.608 8.320 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.751 -3.171 6.997 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.296 -4.137 6.657 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -7.437 -2.518 8.508 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -7.004 -3.010 6.853 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.936 -1.293 7.318 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.319 -0.209 2.908 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.383 0.119 1.479 1.00 0.30 C ATOM 1739 C LEU A 111 -6.398 -0.734 0.666 1.00 0.30 C ATOM 1740 O LEU A 111 -5.411 -1.217 1.194 1.00 0.61 O ATOM 1741 CB LEU A 111 -7.097 1.616 1.299 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.951 2.146 2.159 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -4.699 2.372 1.337 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -6.345 3.422 2.873 1.00 0.62 C ATOM 0 H LEU A 111 -6.403 -0.523 3.228 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.381 -0.106 1.104 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.867 1.806 0.251 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -8.001 2.177 1.534 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.734 1.384 2.908 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -3.904 2.749 1.981 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.385 1.431 0.886 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -4.906 3.099 0.552 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -5.509 3.774 3.477 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -6.609 4.183 2.139 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -7.202 3.228 3.518 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.678 -0.966 -0.626 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.806 -1.750 -1.506 1.00 0.33 C ATOM 1758 C PRO A 112 -4.619 -0.932 -2.011 1.00 0.32 C ATOM 1759 O PRO A 112 -4.743 0.262 -2.285 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.724 -2.133 -2.679 1.00 0.35 C ATOM 1761 CG PRO A 112 -8.080 -1.607 -2.332 1.00 0.81 C ATOM 1762 CD PRO A 112 -7.864 -0.509 -1.337 1.00 0.64 C ATOM 0 HA PRO A 112 -5.373 -2.608 -0.991 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.365 -1.700 -3.613 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -6.749 -3.214 -2.818 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -8.590 -1.232 -3.219 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.706 -2.394 -1.912 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -7.702 0.454 -1.822 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.718 -0.390 -0.670 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.479 -1.599 -2.169 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.235 -0.927 -2.537 1.00 0.29 C ATOM 1772 C ILE A 113 -2.242 -0.506 -4.013 1.00 0.30 C ATOM 1773 O ILE A 113 -1.399 0.277 -4.448 1.00 0.28 O ATOM 1774 CB ILE A 113 -1.009 -1.829 -2.246 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.293 -1.041 -2.392 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.998 -3.050 -3.156 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.542 -0.074 -1.257 1.00 0.25 C ATOM 0 H ILE A 113 -3.390 -2.608 -2.048 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.159 -0.028 -1.926 1.00 0.29 H new ATOM 0 HB ILE A 113 -1.088 -2.175 -1.215 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.127 -1.740 -2.453 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.271 -0.489 -3.331 1.00 0.26 H new ATOM 0 HG21 ILE A 113 -0.127 -3.665 -2.930 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.905 -3.632 -2.994 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.954 -2.728 -4.196 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.482 0.451 -1.426 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.273 0.648 -1.209 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.596 -0.623 -0.317 1.00 0.25 H new ATOM 1789 N GLU A 114 -3.211 -1.021 -4.770 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.384 -0.654 -6.178 1.00 0.42 C ATOM 1791 C GLU A 114 -3.526 0.864 -6.330 1.00 0.33 C ATOM 1792 O GLU A 114 -3.016 1.463 -7.279 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.623 -1.372 -6.745 1.00 0.57 C ATOM 1794 CG GLU A 114 -5.083 -0.876 -8.109 1.00 0.72 C ATOM 1795 CD GLU A 114 -4.061 -1.102 -9.205 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -3.894 -2.254 -9.639 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -3.438 -0.118 -9.648 1.00 1.90 O ATOM 0 H GLU A 114 -3.893 -1.699 -4.430 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.501 -0.965 -6.737 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -4.406 -2.438 -6.816 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.445 -1.260 -6.038 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -6.011 -1.381 -8.377 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -5.307 0.189 -8.044 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.173 1.485 -5.357 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.469 2.909 -5.424 1.00 0.24 C ATOM 1806 C LEU A 115 -3.461 3.711 -4.612 1.00 0.21 C ATOM 1807 O LEU A 115 -3.651 4.902 -4.360 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.887 3.173 -4.920 1.00 0.30 C ATOM 1809 CG LEU A 115 -6.996 2.555 -5.768 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.341 2.729 -5.087 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -7.012 3.183 -7.153 1.00 1.03 C ATOM 0 H LEU A 115 -4.504 1.025 -4.509 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.397 3.228 -6.464 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -5.972 2.792 -3.903 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.045 4.250 -4.871 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.801 1.488 -5.875 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -9.121 2.283 -5.704 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.322 2.238 -4.114 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.546 3.791 -4.953 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -7.807 2.733 -7.747 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -7.187 4.255 -7.064 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -6.053 3.011 -7.641 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.389 3.058 -4.201 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.366 3.714 -3.416 1.00 0.23 C ATOM 1825 C CYS A 116 -0.098 3.868 -4.239 1.00 0.22 C ATOM 1826 O CYS A 116 0.299 2.956 -4.965 1.00 0.25 O ATOM 1827 CB CYS A 116 -1.070 2.916 -2.148 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.541 2.452 -1.213 1.00 0.37 S ATOM 0 H CYS A 116 -2.207 2.074 -4.399 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.729 4.701 -3.129 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.524 2.012 -2.419 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.414 3.504 -1.506 1.00 0.25 H new ATOM 0 HG CYS A 116 -3.307 1.705 -1.951 1.00 0.37 H new ATOM 1834 N SER A 117 0.517 5.028 -4.153 1.00 0.24 N ATOM 1835 CA SER A 117 1.777 5.262 -4.820 1.00 0.24 C ATOM 1836 C SER A 117 2.853 5.545 -3.787 1.00 0.24 C ATOM 1837 O SER A 117 2.594 6.171 -2.766 1.00 0.25 O ATOM 1838 CB SER A 117 1.642 6.429 -5.791 1.00 0.29 C ATOM 1839 OG SER A 117 0.470 6.287 -6.575 1.00 0.63 O ATOM 0 H SER A 117 0.162 5.826 -3.625 1.00 0.24 H new ATOM 0 HA SER A 117 2.060 4.375 -5.387 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.606 7.368 -5.238 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.517 6.474 -6.439 1.00 0.29 H new ATOM 0 HG SER A 117 0.396 7.044 -7.192 1.00 0.63 H new ATOM 1845 N ILE A 118 4.048 5.079 -4.049 1.00 0.26 N ATOM 1846 CA ILE A 118 5.150 5.262 -3.137 1.00 0.28 C ATOM 1847 C ILE A 118 5.973 6.468 -3.580 1.00 0.34 C ATOM 1848 O ILE A 118 6.214 6.660 -4.773 1.00 0.36 O ATOM 1849 CB ILE A 118 6.023 3.984 -3.078 1.00 0.29 C ATOM 1850 CG1 ILE A 118 7.137 4.136 -2.051 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.614 3.661 -4.446 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.843 2.839 -1.719 1.00 0.31 C ATOM 0 H ILE A 118 4.285 4.564 -4.897 1.00 0.26 H new ATOM 0 HA ILE A 118 4.766 5.445 -2.134 1.00 0.28 H new ATOM 0 HB ILE A 118 5.379 3.158 -2.776 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.869 4.852 -2.426 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.720 4.556 -1.136 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.222 2.759 -4.376 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.808 3.500 -5.162 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.235 4.492 -4.780 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.623 3.028 -0.981 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.124 2.127 -1.313 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.291 2.427 -2.623 1.00 0.31 H new ATOM 1864 N GLU A 119 6.357 7.306 -2.631 1.00 0.41 N ATOM 1865 CA GLU A 119 7.123 8.497 -2.948 1.00 0.50 C ATOM 1866 C GLU A 119 8.547 8.081 -3.301 1.00 0.55 C ATOM 1867 O GLU A 119 9.312 7.641 -2.439 1.00 0.56 O ATOM 1868 CB GLU A 119 7.083 9.449 -1.747 1.00 0.60 C ATOM 1869 CG GLU A 119 7.281 10.915 -2.094 1.00 1.23 C ATOM 1870 CD GLU A 119 8.733 11.307 -2.204 1.00 1.69 C ATOM 1871 OE1 GLU A 119 9.374 11.541 -1.163 1.00 2.02 O ATOM 1872 OE2 GLU A 119 9.245 11.375 -3.340 1.00 2.46 O ATOM 0 H GLU A 119 6.151 7.183 -1.640 1.00 0.41 H new ATOM 0 HA GLU A 119 6.701 9.022 -3.805 1.00 0.50 H new ATOM 0 HB2 GLU A 119 6.124 9.335 -1.242 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.854 9.150 -1.037 1.00 0.60 H new ATOM 0 HG2 GLU A 119 6.781 11.129 -3.038 1.00 1.23 H new ATOM 0 HG3 GLU A 119 6.802 11.530 -1.333 1.00 1.23 H new ATOM 1879 N GLU A 120 8.900 8.231 -4.573 1.00 0.68 N ATOM 1880 CA GLU A 120 10.127 7.641 -5.091 1.00 0.84 C ATOM 1881 C GLU A 120 11.343 8.516 -4.813 1.00 0.98 C ATOM 1882 O GLU A 120 12.480 8.039 -4.855 1.00 1.08 O ATOM 1883 CB GLU A 120 9.998 7.356 -6.592 1.00 1.10 C ATOM 1884 CG GLU A 120 9.799 8.595 -7.449 1.00 1.26 C ATOM 1885 CD GLU A 120 9.556 8.261 -8.908 1.00 2.16 C ATOM 1886 OE1 GLU A 120 10.540 8.101 -9.656 1.00 2.36 O ATOM 1887 OE2 GLU A 120 8.381 8.161 -9.317 1.00 2.92 O ATOM 0 H GLU A 120 8.357 8.753 -5.260 1.00 0.68 H new ATOM 0 HA GLU A 120 10.280 6.698 -4.567 1.00 0.84 H new ATOM 0 HB2 GLU A 120 10.894 6.835 -6.929 1.00 1.10 H new ATOM 0 HB3 GLU A 120 9.158 6.680 -6.751 1.00 1.10 H new ATOM 0 HG2 GLU A 120 8.954 9.166 -7.065 1.00 1.26 H new ATOM 0 HG3 GLU A 120 10.678 9.234 -7.368 1.00 1.26 H new