USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 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 100 ASN : amide:sc= -0.326 K(o=-0.69,f=-4.6!) USER MOD Set 1.2: A 102 THR OG1 : rot -116:sc= -0.363 USER MOD Set 2.1: A 34 SER OG : rot -170:sc= -0.0264 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.73 X(o=-0.76,f=-0.88) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 107:sc= 1.44 USER MOD Single : A 39 ASN : amide:sc= -0.077 K(o=-0.077,f=-2.5) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 50 SER OG : rot -113:sc= 1.03 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -0.0375 (180deg=-0.482) USER MOD Single : A 62 MET CE :methyl 173:sc= -0.023 (180deg=-0.143) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -7.75! C(o=-7.8!,f=-11!) USER MOD Single : A 66 ASN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 75 TYR OH : rot 165:sc= -1.33 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.08! F(o=-3.7,f=-1.1!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.233 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 94 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -154:sc= -3.4! (180deg=-7.57!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.708 K(o=-0.71,f=-1.2) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -110:sc= 0.321 (180deg=-0.677) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 70.628 3.380 -23.165 1.00 0.00 N ATOM 2 CA GLN A 23 69.814 3.220 -21.967 1.00 0.00 C ATOM 3 C GLN A 23 69.008 1.917 -22.054 1.00 0.00 C ATOM 4 O GLN A 23 68.463 1.587 -23.101 1.00 0.00 O ATOM 5 CB GLN A 23 68.874 4.428 -21.824 1.00 0.00 C ATOM 6 CG GLN A 23 68.546 4.768 -20.365 1.00 0.00 C ATOM 7 CD GLN A 23 67.786 6.100 -20.296 1.00 0.00 C ATOM 8 OE1 GLN A 23 66.569 6.151 -20.431 1.00 0.00 O ATOM 9 NE2 GLN A 23 68.578 7.169 -20.086 1.00 0.00 N ATOM 0 HA GLN A 23 70.459 3.168 -21.090 1.00 0.00 H new ATOM 0 HB2 GLN A 23 69.333 5.296 -22.298 1.00 0.00 H new ATOM 0 HB3 GLN A 23 67.947 4.225 -22.360 1.00 0.00 H new ATOM 0 HG2 GLN A 23 67.945 3.973 -19.924 1.00 0.00 H new ATOM 0 HG3 GLN A 23 69.465 4.833 -19.782 1.00 0.00 H new ATOM 0 HE21 GLN A 23 69.585 7.045 -19.983 1.00 0.00 H new ATOM 0 HE22 GLN A 23 68.171 8.102 -20.030 1.00 0.00 H new ATOM 17 N GLN A 24 68.966 1.201 -20.908 1.00 0.00 N ATOM 18 CA GLN A 24 68.224 -0.055 -20.831 1.00 0.00 C ATOM 19 C GLN A 24 66.835 0.227 -20.232 1.00 0.00 C ATOM 20 O GLN A 24 66.578 1.292 -19.684 1.00 0.00 O ATOM 21 CB GLN A 24 69.036 -1.053 -19.990 1.00 0.00 C ATOM 22 CG GLN A 24 68.467 -2.482 -20.017 1.00 0.00 C ATOM 23 CD GLN A 24 69.399 -3.456 -19.292 1.00 0.00 C ATOM 24 OE1 GLN A 24 69.286 -3.674 -18.092 1.00 0.00 O ATOM 25 NE2 GLN A 24 70.312 -4.032 -20.094 1.00 0.00 N ATOM 0 H GLN A 24 69.432 1.474 -20.043 1.00 0.00 H new ATOM 0 HA GLN A 24 68.075 -0.494 -21.817 1.00 0.00 H new ATOM 0 HB2 GLN A 24 70.063 -1.072 -20.354 1.00 0.00 H new ATOM 0 HB3 GLN A 24 69.070 -0.703 -18.958 1.00 0.00 H new ATOM 0 HG2 GLN A 24 67.484 -2.495 -19.546 1.00 0.00 H new ATOM 0 HG3 GLN A 24 68.330 -2.804 -21.049 1.00 0.00 H new ATOM 0 HE21 GLN A 24 70.341 -3.796 -21.086 1.00 0.00 H new ATOM 0 HE22 GLN A 24 70.976 -4.705 -19.710 1.00 0.00 H new ATOM 34 N VAL A 25 65.967 -0.800 -20.373 1.00 0.00 N ATOM 35 CA VAL A 25 64.622 -0.776 -19.808 1.00 0.00 C ATOM 36 C VAL A 25 64.713 -0.755 -18.279 1.00 0.00 C ATOM 37 O VAL A 25 65.687 -1.237 -17.713 1.00 0.00 O ATOM 38 CB VAL A 25 63.846 -2.028 -20.255 1.00 0.00 C ATOM 39 CG1 VAL A 25 62.346 -1.888 -19.947 1.00 0.00 C ATOM 40 CG2 VAL A 25 64.104 -2.335 -21.738 1.00 0.00 C ATOM 0 H VAL A 25 66.188 -1.657 -20.880 1.00 0.00 H new ATOM 0 HA VAL A 25 64.101 0.115 -20.158 1.00 0.00 H new ATOM 0 HB VAL A 25 64.213 -2.879 -19.681 1.00 0.00 H new ATOM 0 HG11 VAL A 25 61.822 -2.787 -20.273 1.00 0.00 H new ATOM 0 HG12 VAL A 25 62.206 -1.755 -18.874 1.00 0.00 H new ATOM 0 HG13 VAL A 25 61.945 -1.023 -20.475 1.00 0.00 H new ATOM 0 HG21 VAL A 25 63.544 -3.224 -22.028 1.00 0.00 H new ATOM 0 HG22 VAL A 25 63.783 -1.489 -22.346 1.00 0.00 H new ATOM 0 HG23 VAL A 25 65.169 -2.510 -21.894 1.00 0.00 H new ATOM 50 N GLY A 26 63.671 -0.153 -17.653 1.00 0.00 N ATOM 51 CA GLY A 26 63.683 0.016 -16.202 1.00 0.00 C ATOM 52 C GLY A 26 65.012 0.639 -15.762 1.00 0.00 C ATOM 53 O GLY A 26 65.526 1.514 -16.450 1.00 0.00 O ATOM 0 H GLY A 26 62.842 0.209 -18.124 1.00 0.00 H new ATOM 0 HA2 GLY A 26 62.853 0.652 -15.894 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.544 -0.948 -15.713 1.00 0.00 H new ATOM 57 N ASP A 27 65.546 0.131 -14.623 1.00 0.00 N ATOM 58 CA ASP A 27 66.784 0.714 -14.095 1.00 0.00 C ATOM 59 C ASP A 27 67.158 0.111 -12.721 1.00 0.00 C ATOM 60 O ASP A 27 66.860 0.674 -11.677 1.00 0.00 O ATOM 61 CB ASP A 27 66.631 2.253 -13.960 1.00 0.00 C ATOM 62 CG ASP A 27 65.226 2.648 -13.431 1.00 0.00 C ATOM 63 OD1 ASP A 27 64.845 2.210 -12.348 1.00 0.00 O ATOM 64 OD2 ASP A 27 64.517 3.374 -14.125 1.00 0.00 O ATOM 0 H ASP A 27 65.156 -0.641 -14.083 1.00 0.00 H new ATOM 0 HA ASP A 27 67.584 0.481 -14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.395 2.636 -13.284 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.799 2.722 -14.930 1.00 0.00 H new ATOM 69 N CYS A 28 67.859 -1.039 -12.769 1.00 0.00 N ATOM 70 CA CYS A 28 68.245 -1.697 -11.525 1.00 0.00 C ATOM 71 C CYS A 28 69.613 -2.370 -11.704 1.00 0.00 C ATOM 72 O CYS A 28 69.941 -2.872 -12.770 1.00 0.00 O ATOM 73 CB CYS A 28 67.186 -2.737 -11.169 1.00 0.00 C ATOM 74 SG CYS A 28 66.664 -3.708 -12.603 1.00 0.00 S ATOM 0 H CYS A 28 68.156 -1.509 -13.624 1.00 0.00 H new ATOM 0 HA CYS A 28 68.318 -0.966 -10.720 1.00 0.00 H new ATOM 0 HB2 CYS A 28 67.581 -3.406 -10.404 1.00 0.00 H new ATOM 0 HB3 CYS A 28 66.319 -2.236 -10.738 1.00 0.00 H new ATOM 0 HG CYS A 28 65.767 -4.574 -12.237 1.00 0.00 H new ATOM 80 N CYS A 29 70.377 -2.342 -10.590 1.00 0.00 N ATOM 81 CA CYS A 29 71.725 -2.896 -10.546 1.00 0.00 C ATOM 82 C CYS A 29 71.881 -3.699 -9.256 1.00 0.00 C ATOM 83 O CYS A 29 71.152 -3.492 -8.306 1.00 0.00 O ATOM 84 CB CYS A 29 72.730 -1.738 -10.592 1.00 0.00 C ATOM 85 SG CYS A 29 73.064 -1.255 -12.300 1.00 0.00 S ATOM 0 H CYS A 29 70.068 -1.935 -9.707 1.00 0.00 H new ATOM 0 HA CYS A 29 71.906 -3.555 -11.395 1.00 0.00 H new ATOM 0 HB2 CYS A 29 72.337 -0.886 -10.037 1.00 0.00 H new ATOM 0 HB3 CYS A 29 73.658 -2.035 -10.104 1.00 0.00 H new ATOM 0 HG CYS A 29 72.483 -0.120 -12.551 1.00 0.00 H new ATOM 91 N ILE A 30 72.865 -4.623 -9.282 1.00 0.00 N ATOM 92 CA ILE A 30 73.173 -5.437 -8.108 1.00 0.00 C ATOM 93 C ILE A 30 74.467 -4.903 -7.485 1.00 0.00 C ATOM 94 O ILE A 30 75.479 -4.725 -8.150 1.00 0.00 O ATOM 95 CB ILE A 30 73.346 -6.905 -8.536 1.00 0.00 C ATOM 96 CG1 ILE A 30 72.020 -7.471 -9.063 1.00 0.00 C ATOM 97 CG2 ILE A 30 73.887 -7.800 -7.406 1.00 0.00 C ATOM 98 CD1 ILE A 30 72.159 -8.890 -9.616 1.00 0.00 C ATOM 0 H ILE A 30 73.448 -4.816 -10.097 1.00 0.00 H new ATOM 0 HA ILE A 30 72.366 -5.385 -7.378 1.00 0.00 H new ATOM 0 HB ILE A 30 74.090 -6.910 -9.332 1.00 0.00 H new ATOM 0 HG12 ILE A 30 71.285 -7.470 -8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 30 71.637 -6.817 -9.846 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.987 -8.823 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.861 -7.432 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 30 73.196 -7.780 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 30 71.190 -9.238 -9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 30 72.872 -8.891 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.514 -9.554 -8.828 1.00 0.00 H new ATOM 110 N ILE A 31 74.354 -4.685 -6.163 1.00 0.00 N ATOM 111 CA ILE A 31 75.445 -4.173 -5.349 1.00 0.00 C ATOM 112 C ILE A 31 75.689 -5.154 -4.186 1.00 0.00 C ATOM 113 O ILE A 31 74.790 -5.828 -3.702 1.00 0.00 O ATOM 114 CB ILE A 31 75.033 -2.786 -4.838 1.00 0.00 C ATOM 115 CG1 ILE A 31 73.663 -2.864 -4.165 1.00 0.00 C ATOM 116 CG2 ILE A 31 74.996 -1.754 -5.979 1.00 0.00 C ATOM 117 CD1 ILE A 31 73.560 -1.963 -2.927 1.00 0.00 C ATOM 0 H ILE A 31 73.498 -4.863 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 31 76.371 -4.082 -5.917 1.00 0.00 H new ATOM 0 HB ILE A 31 75.779 -2.461 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 31 72.893 -2.579 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 31 73.463 -3.896 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 31 74.701 -0.783 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 31 75.985 -1.676 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 31 74.276 -2.072 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 31 72.566 -2.058 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 31 74.309 -2.264 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 31 73.731 -0.926 -3.216 1.00 0.00 H new ATOM 129 N ARG A 32 76.968 -5.184 -3.785 1.00 0.00 N ATOM 130 CA ARG A 32 77.432 -6.038 -2.710 1.00 0.00 C ATOM 131 C ARG A 32 77.693 -5.133 -1.497 1.00 0.00 C ATOM 132 O ARG A 32 78.454 -4.191 -1.620 1.00 0.00 O ATOM 133 CB ARG A 32 78.730 -6.692 -3.214 1.00 0.00 C ATOM 134 CG ARG A 32 79.595 -7.217 -2.078 1.00 0.00 C ATOM 135 CD ARG A 32 80.965 -7.716 -2.516 1.00 0.00 C ATOM 136 NE ARG A 32 80.737 -8.983 -3.173 1.00 0.00 N ATOM 137 CZ ARG A 32 81.201 -9.209 -4.408 1.00 0.00 C ATOM 138 NH1 ARG A 32 82.242 -8.525 -4.879 1.00 0.00 N ATOM 139 NH2 ARG A 32 80.589 -10.114 -5.157 1.00 0.00 N ATOM 0 H ARG A 32 77.701 -4.612 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 32 76.720 -6.812 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 32 78.482 -7.513 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 32 79.299 -5.965 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 32 79.728 -6.425 -1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 32 79.067 -8.030 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 32 81.441 -7.006 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 32 81.629 -7.835 -1.660 1.00 0.00 H new ATOM 0 HE ARG A 32 80.216 -9.714 -2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 32 82.695 -7.820 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 32 82.587 -8.706 -5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 32 79.784 -10.620 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 32 80.923 -10.305 -6.102 1.00 0.00 H new ATOM 153 N VAL A 33 77.064 -5.457 -0.338 1.00 0.00 N ATOM 154 CA VAL A 33 77.224 -4.616 0.854 1.00 0.00 C ATOM 155 C VAL A 33 77.699 -5.436 2.069 1.00 0.00 C ATOM 156 O VAL A 33 77.007 -6.337 2.520 1.00 0.00 O ATOM 157 CB VAL A 33 75.917 -3.879 1.195 1.00 0.00 C ATOM 158 CG1 VAL A 33 76.167 -2.520 1.857 1.00 0.00 C ATOM 159 CG2 VAL A 33 75.044 -3.686 -0.038 1.00 0.00 C ATOM 0 H VAL A 33 76.461 -6.271 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 33 77.991 -3.877 0.621 1.00 0.00 H new ATOM 0 HB VAL A 33 75.394 -4.516 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 33 75.213 -2.041 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 33 76.723 -2.663 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 33 76.743 -1.887 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 33 74.130 -3.162 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 33 75.586 -3.099 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 33 74.790 -4.658 -0.460 1.00 0.00 H new ATOM 169 N SER A 34 78.889 -5.051 2.590 1.00 0.00 N ATOM 170 CA SER A 34 79.438 -5.651 3.807 1.00 0.00 C ATOM 171 C SER A 34 79.088 -4.752 4.983 1.00 0.00 C ATOM 172 O SER A 34 78.745 -3.598 4.798 1.00 0.00 O ATOM 173 CB SER A 34 80.957 -5.756 3.684 1.00 0.00 C ATOM 174 OG SER A 34 81.557 -6.341 4.832 1.00 0.00 O ATOM 0 H SER A 34 79.479 -4.327 2.179 1.00 0.00 H new ATOM 0 HA SER A 34 79.022 -6.647 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 34 81.207 -6.350 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 34 81.375 -4.762 3.526 1.00 0.00 H new ATOM 0 HG SER A 34 82.531 -6.244 4.778 1.00 0.00 H new ATOM 180 N LEU A 35 79.200 -5.339 6.189 1.00 0.00 N ATOM 181 CA LEU A 35 78.975 -4.574 7.408 1.00 0.00 C ATOM 182 C LEU A 35 80.324 -4.120 7.963 1.00 0.00 C ATOM 183 O LEU A 35 81.360 -4.713 7.692 1.00 0.00 O ATOM 184 CB LEU A 35 78.226 -5.457 8.417 1.00 0.00 C ATOM 185 CG LEU A 35 76.798 -4.981 8.674 1.00 0.00 C ATOM 186 CD1 LEU A 35 76.020 -4.905 7.365 1.00 0.00 C ATOM 187 CD2 LEU A 35 76.132 -5.911 9.687 1.00 0.00 C ATOM 0 H LEU A 35 79.440 -6.320 6.335 1.00 0.00 H new ATOM 0 HA LEU A 35 78.370 -3.690 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 35 78.201 -6.482 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 35 78.775 -5.470 9.359 1.00 0.00 H new ATOM 0 HG LEU A 35 76.811 -3.975 9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 35 75.004 -4.564 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 35 76.511 -4.205 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 35 75.987 -5.892 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 35 75.112 -5.575 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 35 76.113 -6.926 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 35 76.695 -5.896 10.620 1.00 0.00 H new ATOM 199 N ASP A 36 80.213 -3.038 8.764 1.00 0.00 N ATOM 200 CA ASP A 36 81.324 -2.427 9.491 1.00 0.00 C ATOM 201 C ASP A 36 81.760 -3.224 10.738 1.00 0.00 C ATOM 202 O ASP A 36 81.834 -2.716 11.850 1.00 0.00 O ATOM 203 CB ASP A 36 80.859 -1.032 9.912 1.00 0.00 C ATOM 204 CG ASP A 36 79.815 -1.001 11.066 1.00 0.00 C ATOM 205 OD1 ASP A 36 78.925 -1.852 11.097 1.00 0.00 O ATOM 206 OD2 ASP A 36 79.919 -0.133 11.932 1.00 0.00 O ATOM 0 H ASP A 36 79.325 -2.562 8.920 1.00 0.00 H new ATOM 0 HA ASP A 36 82.196 -2.402 8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 36 81.731 -0.453 10.217 1.00 0.00 H new ATOM 0 HB3 ASP A 36 80.431 -0.532 9.043 1.00 0.00 H new ATOM 211 N VAL A 37 82.031 -4.504 10.477 1.00 0.00 N ATOM 212 CA VAL A 37 82.300 -5.461 11.531 1.00 0.00 C ATOM 213 C VAL A 37 83.810 -5.630 11.744 1.00 0.00 C ATOM 214 O VAL A 37 84.209 -6.410 12.595 1.00 0.00 O ATOM 215 CB VAL A 37 81.588 -6.785 11.176 1.00 0.00 C ATOM 216 CG1 VAL A 37 81.669 -7.106 9.673 1.00 0.00 C ATOM 217 CG2 VAL A 37 82.075 -7.980 12.008 1.00 0.00 C ATOM 0 H VAL A 37 82.068 -4.896 9.536 1.00 0.00 H new ATOM 0 HA VAL A 37 81.907 -5.104 12.483 1.00 0.00 H new ATOM 0 HB VAL A 37 80.542 -6.622 11.434 1.00 0.00 H new ATOM 0 HG11 VAL A 37 81.154 -8.046 9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.196 -6.305 9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 37 82.714 -7.194 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 37 81.534 -8.877 11.708 1.00 0.00 H new ATOM 0 HG22 VAL A 37 83.142 -8.128 11.843 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.895 -7.785 13.065 1.00 0.00 H new ATOM 227 N ASP A 38 84.624 -4.870 10.966 1.00 0.00 N ATOM 228 CA ASP A 38 86.080 -4.931 11.118 1.00 0.00 C ATOM 229 C ASP A 38 86.649 -6.297 10.707 1.00 0.00 C ATOM 230 O ASP A 38 87.101 -6.473 9.583 1.00 0.00 O ATOM 231 CB ASP A 38 86.505 -4.516 12.544 1.00 0.00 C ATOM 232 CG ASP A 38 86.196 -3.032 12.825 1.00 0.00 C ATOM 233 OD1 ASP A 38 86.072 -2.249 11.882 1.00 0.00 O ATOM 234 OD2 ASP A 38 86.080 -2.675 13.996 1.00 0.00 O ATOM 0 H ASP A 38 84.296 -4.226 10.247 1.00 0.00 H new ATOM 0 HA ASP A 38 86.515 -4.207 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 38 85.988 -5.139 13.273 1.00 0.00 H new ATOM 0 HB3 ASP A 38 87.573 -4.695 12.672 1.00 0.00 H new ATOM 239 N ASN A 39 86.574 -7.244 11.679 1.00 0.00 N ATOM 240 CA ASN A 39 86.883 -8.656 11.479 1.00 0.00 C ATOM 241 C ASN A 39 86.260 -9.149 10.163 1.00 0.00 C ATOM 242 O ASN A 39 85.358 -8.513 9.626 1.00 0.00 O ATOM 243 CB ASN A 39 86.315 -9.470 12.670 1.00 0.00 C ATOM 244 CG ASN A 39 87.288 -10.584 13.101 1.00 0.00 C ATOM 245 OD1 ASN A 39 88.211 -10.946 12.382 1.00 0.00 O ATOM 246 ND2 ASN A 39 87.040 -11.085 14.324 1.00 0.00 N ATOM 0 H ASN A 39 86.291 -7.028 12.635 1.00 0.00 H new ATOM 0 HA ASN A 39 87.963 -8.790 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 39 86.126 -8.804 13.512 1.00 0.00 H new ATOM 0 HB3 ASN A 39 85.357 -9.909 12.390 1.00 0.00 H new ATOM 0 HD21 ASN A 39 87.640 -11.815 14.707 1.00 0.00 H new ATOM 0 HD22 ASN A 39 86.251 -10.735 14.868 1.00 0.00 H new ATOM 253 N GLY A 40 86.774 -10.304 9.680 1.00 0.00 N ATOM 254 CA GLY A 40 86.263 -10.886 8.440 1.00 0.00 C ATOM 255 C GLY A 40 84.721 -10.873 8.380 1.00 0.00 C ATOM 256 O GLY A 40 84.034 -10.834 9.396 1.00 0.00 O ATOM 0 H GLY A 40 87.524 -10.833 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 40 86.662 -10.333 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 40 86.620 -11.912 8.349 1.00 0.00 H new ATOM 260 N ASN A 41 84.240 -10.847 7.131 1.00 0.00 N ATOM 261 CA ASN A 41 82.832 -10.582 6.871 1.00 0.00 C ATOM 262 C ASN A 41 82.361 -11.594 5.832 1.00 0.00 C ATOM 263 O ASN A 41 83.151 -12.333 5.257 1.00 0.00 O ATOM 264 CB ASN A 41 82.655 -9.128 6.395 1.00 0.00 C ATOM 265 CG ASN A 41 83.588 -8.803 5.212 1.00 0.00 C ATOM 266 OD1 ASN A 41 83.184 -8.834 4.060 1.00 0.00 O ATOM 267 ND2 ASN A 41 84.853 -8.508 5.572 1.00 0.00 N ATOM 0 H ASN A 41 84.804 -11.005 6.296 1.00 0.00 H new ATOM 0 HA ASN A 41 82.229 -10.691 7.772 1.00 0.00 H new ATOM 0 HB2 ASN A 41 81.619 -8.965 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 41 82.861 -8.446 7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 41 85.549 -8.290 4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 41 85.115 -8.503 6.558 1.00 0.00 H new ATOM 274 N MET A 42 81.028 -11.579 5.644 1.00 0.00 N ATOM 275 CA MET A 42 80.410 -12.504 4.707 1.00 0.00 C ATOM 276 C MET A 42 79.963 -11.809 3.435 1.00 0.00 C ATOM 277 O MET A 42 79.788 -12.475 2.424 1.00 0.00 O ATOM 278 CB MET A 42 79.230 -13.211 5.372 1.00 0.00 C ATOM 279 CG MET A 42 79.715 -14.322 6.305 1.00 0.00 C ATOM 280 SD MET A 42 79.662 -13.810 8.028 1.00 0.00 S ATOM 281 CE MET A 42 80.793 -15.044 8.687 1.00 0.00 C ATOM 0 H MET A 42 80.382 -10.950 6.120 1.00 0.00 H new ATOM 0 HA MET A 42 81.161 -13.242 4.425 1.00 0.00 H new ATOM 0 HB2 MET A 42 78.639 -12.489 5.936 1.00 0.00 H new ATOM 0 HB3 MET A 42 78.576 -13.632 4.608 1.00 0.00 H new ATOM 0 HG2 MET A 42 79.095 -15.208 6.169 1.00 0.00 H new ATOM 0 HG3 MET A 42 80.734 -14.602 6.039 1.00 0.00 H new ATOM 0 HE1 MET A 42 80.902 -14.901 9.762 1.00 0.00 H new ATOM 0 HE2 MET A 42 80.398 -16.041 8.492 1.00 0.00 H new ATOM 0 HE3 MET A 42 81.766 -14.939 8.207 1.00 0.00 H new ATOM 291 N TYR A 43 79.796 -10.466 3.521 1.00 0.00 N ATOM 292 CA TYR A 43 79.375 -9.702 2.350 1.00 0.00 C ATOM 293 C TYR A 43 77.966 -10.139 1.882 1.00 0.00 C ATOM 294 O TYR A 43 77.723 -11.292 1.553 1.00 0.00 O ATOM 295 CB TYR A 43 80.410 -9.864 1.212 1.00 0.00 C ATOM 296 CG TYR A 43 81.257 -8.642 1.016 1.00 0.00 C ATOM 297 CD1 TYR A 43 80.661 -7.440 0.672 1.00 0.00 C ATOM 298 CD2 TYR A 43 82.639 -8.693 1.151 1.00 0.00 C ATOM 299 CE1 TYR A 43 81.432 -6.308 0.425 1.00 0.00 C ATOM 300 CE2 TYR A 43 83.414 -7.562 0.929 1.00 0.00 C ATOM 301 CZ TYR A 43 82.809 -6.365 0.557 1.00 0.00 C ATOM 302 OH TYR A 43 83.547 -5.221 0.323 1.00 0.00 O ATOM 0 H TYR A 43 79.944 -9.915 4.367 1.00 0.00 H new ATOM 0 HA TYR A 43 79.321 -8.648 2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 43 81.054 -10.715 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 43 79.888 -10.091 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 43 79.585 -7.380 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 43 83.115 -9.621 1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 43 80.956 -5.385 0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 43 84.487 -7.611 1.045 1.00 0.00 H new ATOM 0 HH TYR A 43 84.499 -5.413 0.455 1.00 0.00 H new ATOM 312 N LYS A 44 77.058 -9.151 1.862 1.00 0.00 N ATOM 313 CA LYS A 44 75.678 -9.422 1.465 1.00 0.00 C ATOM 314 C LYS A 44 75.454 -8.922 0.047 1.00 0.00 C ATOM 315 O LYS A 44 76.234 -8.136 -0.468 1.00 0.00 O ATOM 316 CB LYS A 44 74.748 -8.718 2.446 1.00 0.00 C ATOM 317 CG LYS A 44 73.614 -9.609 2.933 1.00 0.00 C ATOM 318 CD LYS A 44 74.123 -10.727 3.853 1.00 0.00 C ATOM 319 CE LYS A 44 73.012 -11.434 4.622 1.00 0.00 C ATOM 320 NZ LYS A 44 73.466 -12.739 5.080 1.00 0.00 N ATOM 0 H LYS A 44 77.252 -8.181 2.111 1.00 0.00 H new ATOM 0 HA LYS A 44 75.473 -10.492 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 44 75.326 -8.374 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 44 74.328 -7.833 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 44 72.880 -9.005 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 44 73.103 -10.048 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 44 74.664 -11.461 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 44 74.835 -10.307 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 44 72.708 -10.827 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 44 72.136 -11.549 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 72.700 -13.210 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 73.734 -13.320 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 74.289 -12.621 5.705 1.00 0.00 H new ATOM 334 N SER A 45 74.353 -9.430 -0.549 1.00 0.00 N ATOM 335 CA SER A 45 74.018 -9.062 -1.921 1.00 0.00 C ATOM 336 C SER A 45 72.558 -8.610 -1.985 1.00 0.00 C ATOM 337 O SER A 45 71.683 -9.215 -1.380 1.00 0.00 O ATOM 338 CB SER A 45 74.211 -10.285 -2.835 1.00 0.00 C ATOM 339 OG SER A 45 74.848 -9.962 -4.055 1.00 0.00 O ATOM 0 H SER A 45 73.703 -10.079 -0.106 1.00 0.00 H new ATOM 0 HA SER A 45 74.666 -8.250 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 45 74.801 -11.036 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 45 73.240 -10.733 -3.045 1.00 0.00 H new ATOM 0 HG SER A 45 74.948 -10.773 -4.597 1.00 0.00 H new ATOM 345 N ILE A 46 72.358 -7.512 -2.743 1.00 0.00 N ATOM 346 CA ILE A 46 71.048 -6.873 -2.811 1.00 0.00 C ATOM 347 C ILE A 46 70.937 -6.106 -4.143 1.00 0.00 C ATOM 348 O ILE A 46 71.934 -5.789 -4.776 1.00 0.00 O ATOM 349 CB ILE A 46 70.881 -5.928 -1.603 1.00 0.00 C ATOM 350 CG1 ILE A 46 72.034 -4.934 -1.522 1.00 0.00 C ATOM 351 CG2 ILE A 46 70.777 -6.687 -0.271 1.00 0.00 C ATOM 352 CD1 ILE A 46 71.715 -3.736 -0.635 1.00 0.00 C ATOM 0 H ILE A 46 73.081 -7.063 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 46 70.253 -7.618 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 46 69.945 -5.394 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 46 72.919 -5.441 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 46 72.278 -4.584 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.661 -5.974 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 46 69.914 -7.352 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 46 71.682 -7.273 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 46 72.571 -3.061 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.847 -3.210 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 46 71.499 -4.080 0.377 1.00 0.00 H new ATOM 364 N LEU A 47 69.667 -5.830 -4.514 1.00 0.00 N ATOM 365 CA LEU A 47 69.369 -5.106 -5.745 1.00 0.00 C ATOM 366 C LEU A 47 68.955 -3.659 -5.402 1.00 0.00 C ATOM 367 O LEU A 47 68.091 -3.417 -4.570 1.00 0.00 O ATOM 368 CB LEU A 47 68.216 -5.824 -6.454 1.00 0.00 C ATOM 369 CG LEU A 47 68.072 -5.440 -7.943 1.00 0.00 C ATOM 370 CD1 LEU A 47 68.666 -6.515 -8.869 1.00 0.00 C ATOM 371 CD2 LEU A 47 66.602 -5.168 -8.288 1.00 0.00 C ATOM 0 H LEU A 47 68.845 -6.101 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 47 70.245 -5.076 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 47 68.368 -6.901 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 47 67.284 -5.596 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 47 68.641 -4.525 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 47 68.545 -6.208 -9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 47 69.726 -6.640 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 47 68.148 -7.461 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 47 66.519 -4.899 -9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 47 66.011 -6.063 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 47 66.230 -4.348 -7.674 1.00 0.00 H new ATOM 383 N VAL A 48 69.624 -2.734 -6.113 1.00 0.00 N ATOM 384 CA VAL A 48 69.420 -1.297 -6.029 1.00 0.00 C ATOM 385 C VAL A 48 68.592 -0.816 -7.222 1.00 0.00 C ATOM 386 O VAL A 48 68.938 -1.045 -8.369 1.00 0.00 O ATOM 387 CB VAL A 48 70.817 -0.658 -6.057 1.00 0.00 C ATOM 388 CG1 VAL A 48 70.858 0.789 -6.563 1.00 0.00 C ATOM 389 CG2 VAL A 48 71.413 -0.750 -4.664 1.00 0.00 C ATOM 0 H VAL A 48 70.348 -2.989 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 48 68.881 -1.023 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 48 71.405 -1.218 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 48 71.886 1.152 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 48 70.477 0.829 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 48 70.241 1.417 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 48 72.406 -0.301 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 48 70.774 -0.219 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 48 71.487 -1.797 -4.368 1.00 0.00 H new ATOM 399 N THR A 49 67.507 -0.100 -6.869 1.00 0.00 N ATOM 400 CA THR A 49 66.598 0.454 -7.870 1.00 0.00 C ATOM 401 C THR A 49 66.863 1.955 -7.984 1.00 0.00 C ATOM 402 O THR A 49 67.149 2.561 -6.991 1.00 0.00 O ATOM 403 CB THR A 49 65.161 0.168 -7.400 1.00 0.00 C ATOM 404 OG1 THR A 49 64.795 1.023 -6.327 1.00 0.00 O ATOM 405 CG2 THR A 49 65.033 -1.308 -6.978 1.00 0.00 C ATOM 0 H THR A 49 67.247 0.103 -5.904 1.00 0.00 H new ATOM 0 HA THR A 49 66.747 0.007 -8.853 1.00 0.00 H new ATOM 0 HB THR A 49 64.482 0.363 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.877 0.823 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 49 64.013 -1.504 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.269 -1.951 -7.826 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.726 -1.515 -6.163 1.00 0.00 H new ATOM 413 N SER A 50 66.761 2.556 -9.182 1.00 0.00 N ATOM 414 CA SER A 50 66.955 4.012 -9.344 1.00 0.00 C ATOM 415 C SER A 50 66.602 4.912 -8.116 1.00 0.00 C ATOM 416 O SER A 50 67.448 5.639 -7.609 1.00 0.00 O ATOM 417 CB SER A 50 66.138 4.440 -10.558 1.00 0.00 C ATOM 418 OG SER A 50 64.784 4.063 -10.352 1.00 0.00 O ATOM 0 H SER A 50 66.547 2.062 -10.048 1.00 0.00 H new ATOM 0 HA SER A 50 68.027 4.167 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.212 5.518 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.528 3.970 -11.461 1.00 0.00 H new ATOM 0 HG SER A 50 64.539 3.361 -10.990 1.00 0.00 H new ATOM 424 N GLN A 51 65.325 4.812 -7.674 1.00 0.00 N ATOM 425 CA GLN A 51 64.805 5.665 -6.602 1.00 0.00 C ATOM 426 C GLN A 51 65.203 5.210 -5.196 1.00 0.00 C ATOM 427 O GLN A 51 65.023 5.946 -4.235 1.00 0.00 O ATOM 428 CB GLN A 51 63.275 5.708 -6.689 1.00 0.00 C ATOM 429 CG GLN A 51 62.719 7.115 -6.418 1.00 0.00 C ATOM 430 CD GLN A 51 61.400 7.296 -7.178 1.00 0.00 C ATOM 431 OE1 GLN A 51 61.380 7.350 -8.401 1.00 0.00 O ATOM 432 NE2 GLN A 51 60.313 7.371 -6.393 1.00 0.00 N ATOM 0 H GLN A 51 64.646 4.149 -8.048 1.00 0.00 H new ATOM 0 HA GLN A 51 65.248 6.649 -6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 51 62.959 5.379 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 51 62.852 5.007 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 51 62.558 7.255 -5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 51 63.440 7.870 -6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 51 60.411 7.318 -5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 51 59.389 7.481 -6.811 1.00 0.00 H new ATOM 441 N ASP A 52 65.750 3.976 -5.140 1.00 0.00 N ATOM 442 CA ASP A 52 66.314 3.416 -3.920 1.00 0.00 C ATOM 443 C ASP A 52 67.180 4.472 -3.216 1.00 0.00 C ATOM 444 O ASP A 52 68.141 5.014 -3.749 1.00 0.00 O ATOM 445 CB ASP A 52 67.118 2.139 -4.215 1.00 0.00 C ATOM 446 CG ASP A 52 68.576 2.383 -4.645 1.00 0.00 C ATOM 447 OD1 ASP A 52 68.869 3.291 -5.425 1.00 0.00 O ATOM 448 OD2 ASP A 52 69.419 1.646 -4.174 1.00 0.00 O ATOM 0 H ASP A 52 65.807 3.351 -5.944 1.00 0.00 H new ATOM 0 HA ASP A 52 65.499 3.135 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.116 1.511 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.610 1.579 -5.001 1.00 0.00 H new ATOM 453 N LYS A 53 66.750 4.767 -2.004 1.00 0.00 N ATOM 454 CA LYS A 53 67.453 5.804 -1.295 1.00 0.00 C ATOM 455 C LYS A 53 68.521 5.083 -0.476 1.00 0.00 C ATOM 456 O LYS A 53 68.484 3.870 -0.327 1.00 0.00 O ATOM 457 CB LYS A 53 66.407 6.589 -0.508 1.00 0.00 C ATOM 458 CG LYS A 53 65.133 6.853 -1.322 1.00 0.00 C ATOM 459 CD LYS A 53 64.094 7.600 -0.495 1.00 0.00 C ATOM 460 CE LYS A 53 62.723 6.935 -0.573 1.00 0.00 C ATOM 461 NZ LYS A 53 61.859 7.482 0.457 1.00 0.00 N ATOM 0 H LYS A 53 65.966 4.332 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 53 67.970 6.544 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 53 66.149 6.038 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 53 66.835 7.540 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 53 65.380 7.434 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 53 64.716 5.907 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 53 64.419 7.642 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 53 64.020 8.629 -0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 62.283 7.100 -1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 53 62.822 5.857 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 60.925 7.028 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 62.277 7.303 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 61.755 8.507 0.315 1.00 0.00 H new ATOM 475 N ALA A 54 69.464 5.890 0.040 1.00 0.00 N ATOM 476 CA ALA A 54 70.396 5.388 1.046 1.00 0.00 C ATOM 477 C ALA A 54 69.703 4.514 2.131 1.00 0.00 C ATOM 478 O ALA A 54 70.064 3.356 2.277 1.00 0.00 O ATOM 479 CB ALA A 54 71.147 6.567 1.655 1.00 0.00 C ATOM 0 H ALA A 54 69.595 6.868 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 54 71.106 4.721 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 54 71.846 6.203 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 54 71.696 7.092 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 54 70.436 7.250 2.120 1.00 0.00 H new ATOM 485 N PRO A 55 68.675 5.073 2.857 1.00 0.00 N ATOM 486 CA PRO A 55 67.988 4.346 3.926 1.00 0.00 C ATOM 487 C PRO A 55 67.196 3.112 3.440 1.00 0.00 C ATOM 488 O PRO A 55 66.750 2.294 4.232 1.00 0.00 O ATOM 489 CB PRO A 55 67.058 5.398 4.560 1.00 0.00 C ATOM 490 CG PRO A 55 66.846 6.461 3.491 1.00 0.00 C ATOM 491 CD PRO A 55 68.110 6.398 2.645 1.00 0.00 C ATOM 0 HA PRO A 55 68.706 3.924 4.629 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.110 4.952 4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 55 67.507 5.828 5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 55 65.957 6.254 2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 55 66.711 7.448 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 55 67.882 6.560 1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 55 68.816 7.174 2.941 1.00 0.00 H new ATOM 499 N ALA A 56 67.084 3.006 2.097 1.00 0.00 N ATOM 500 CA ALA A 56 66.399 1.879 1.472 1.00 0.00 C ATOM 501 C ALA A 56 67.345 0.682 1.319 1.00 0.00 C ATOM 502 O ALA A 56 67.072 -0.413 1.785 1.00 0.00 O ATOM 503 CB ALA A 56 65.854 2.307 0.104 1.00 0.00 C ATOM 0 H ALA A 56 67.460 3.688 1.439 1.00 0.00 H new ATOM 0 HA ALA A 56 65.571 1.572 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 56 65.342 1.466 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 56 65.153 3.132 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.679 2.628 -0.532 1.00 0.00 H new ATOM 509 N VAL A 57 68.481 0.970 0.646 1.00 0.00 N ATOM 510 CA VAL A 57 69.567 0.003 0.496 1.00 0.00 C ATOM 511 C VAL A 57 70.020 -0.567 1.839 1.00 0.00 C ATOM 512 O VAL A 57 70.419 -1.718 1.951 1.00 0.00 O ATOM 513 CB VAL A 57 70.742 0.698 -0.214 1.00 0.00 C ATOM 514 CG1 VAL A 57 72.103 0.030 0.023 1.00 0.00 C ATOM 515 CG2 VAL A 57 70.436 0.772 -1.693 1.00 0.00 C ATOM 0 H VAL A 57 68.660 1.870 0.200 1.00 0.00 H new ATOM 0 HA VAL A 57 69.206 -0.838 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 57 70.836 1.695 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 57 72.877 0.581 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 72.328 0.031 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 57 72.072 -0.997 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 57 71.260 1.263 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 57 70.307 -0.235 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 57 69.520 1.342 -1.847 1.00 0.00 H new ATOM 525 N ILE A 58 69.927 0.326 2.834 1.00 0.00 N ATOM 526 CA ILE A 58 70.289 -0.057 4.173 1.00 0.00 C ATOM 527 C ILE A 58 69.251 -0.990 4.756 1.00 0.00 C ATOM 528 O ILE A 58 69.612 -1.885 5.483 1.00 0.00 O ATOM 529 CB ILE A 58 70.427 1.206 5.007 1.00 0.00 C ATOM 530 CG1 ILE A 58 71.761 1.892 4.647 1.00 0.00 C ATOM 531 CG2 ILE A 58 70.321 0.905 6.509 1.00 0.00 C ATOM 532 CD1 ILE A 58 71.694 3.399 4.491 1.00 0.00 C ATOM 0 H ILE A 58 69.611 1.290 2.726 1.00 0.00 H new ATOM 0 HA ILE A 58 71.237 -0.595 4.169 1.00 0.00 H new ATOM 0 HB ILE A 58 69.605 1.885 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 58 72.492 1.656 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.131 1.463 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 58 70.424 1.831 7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 58 69.351 0.456 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 58 71.112 0.214 6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.682 3.783 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 58 70.992 3.652 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 71.359 3.847 5.426 1.00 0.00 H new ATOM 544 N ARG A 59 67.971 -0.740 4.431 1.00 0.00 N ATOM 545 CA ARG A 59 66.921 -1.605 4.941 1.00 0.00 C ATOM 546 C ARG A 59 67.082 -3.043 4.423 1.00 0.00 C ATOM 547 O ARG A 59 66.782 -4.004 5.108 1.00 0.00 O ATOM 548 CB ARG A 59 65.575 -1.040 4.531 1.00 0.00 C ATOM 549 CG ARG A 59 64.412 -1.859 5.087 1.00 0.00 C ATOM 550 CD ARG A 59 63.144 -1.508 4.344 1.00 0.00 C ATOM 551 NE ARG A 59 62.026 -2.237 4.917 1.00 0.00 N ATOM 552 CZ ARG A 59 61.145 -2.884 4.133 1.00 0.00 C ATOM 553 NH1 ARG A 59 61.536 -3.525 3.033 1.00 0.00 N ATOM 554 NH2 ARG A 59 59.864 -2.860 4.473 1.00 0.00 N ATOM 0 H ARG A 59 67.656 0.028 3.838 1.00 0.00 H new ATOM 0 HA ARG A 59 66.989 -1.642 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 59 65.493 -0.011 4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.510 -1.012 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.622 -2.924 4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.289 -1.659 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.961 -0.435 4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.249 -1.755 3.288 1.00 0.00 H new ATOM 0 HE ARG A 59 61.907 -2.259 5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 59 62.521 -3.532 2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 59 60.850 -4.009 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 59 59.568 -2.359 5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.174 -3.342 3.897 1.00 0.00 H new ATOM 568 N LYS A 60 67.580 -3.126 3.179 1.00 0.00 N ATOM 569 CA LYS A 60 67.764 -4.419 2.552 1.00 0.00 C ATOM 570 C LYS A 60 68.904 -5.204 3.214 1.00 0.00 C ATOM 571 O LYS A 60 68.756 -6.357 3.590 1.00 0.00 O ATOM 572 CB LYS A 60 68.054 -4.164 1.072 1.00 0.00 C ATOM 573 CG LYS A 60 67.695 -5.373 0.216 1.00 0.00 C ATOM 574 CD LYS A 60 66.177 -5.595 0.159 1.00 0.00 C ATOM 575 CE LYS A 60 65.679 -5.650 -1.282 1.00 0.00 C ATOM 576 NZ LYS A 60 65.924 -4.366 -1.930 1.00 0.00 N ATOM 0 H LYS A 60 67.853 -2.326 2.609 1.00 0.00 H new ATOM 0 HA LYS A 60 66.868 -5.028 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 60 67.488 -3.296 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 60 69.110 -3.926 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 60 68.081 -5.232 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 60 68.178 -6.262 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 60 65.924 -6.524 0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 60 65.669 -4.790 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 60 66.189 -6.446 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 60 64.614 -5.882 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 65.208 -4.207 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 65.869 -3.605 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 66.870 -4.370 -2.362 1.00 0.00 H new ATOM 590 N ALA A 61 70.034 -4.476 3.324 1.00 0.00 N ATOM 591 CA ALA A 61 71.275 -5.014 3.858 1.00 0.00 C ATOM 592 C ALA A 61 71.228 -5.203 5.383 1.00 0.00 C ATOM 593 O ALA A 61 71.868 -6.093 5.914 1.00 0.00 O ATOM 594 CB ALA A 61 72.415 -4.072 3.453 1.00 0.00 C ATOM 0 H ALA A 61 70.099 -3.498 3.041 1.00 0.00 H new ATOM 0 HA ALA A 61 71.437 -6.008 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 61 73.359 -4.454 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 61 72.469 -4.012 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 61 72.229 -3.079 3.862 1.00 0.00 H new ATOM 600 N MET A 62 70.444 -4.339 6.053 1.00 0.00 N ATOM 601 CA MET A 62 70.330 -4.373 7.508 1.00 0.00 C ATOM 602 C MET A 62 69.337 -5.475 7.907 1.00 0.00 C ATOM 603 O MET A 62 69.467 -6.087 8.949 1.00 0.00 O ATOM 604 CB MET A 62 69.903 -2.996 8.064 1.00 0.00 C ATOM 605 CG MET A 62 68.418 -2.692 7.848 1.00 0.00 C ATOM 606 SD MET A 62 67.383 -3.329 9.176 1.00 0.00 S ATOM 607 CE MET A 62 67.351 -1.851 10.198 1.00 0.00 C ATOM 0 H MET A 62 69.885 -3.614 5.604 1.00 0.00 H new ATOM 0 HA MET A 62 71.303 -4.600 7.943 1.00 0.00 H new ATOM 0 HB2 MET A 62 70.123 -2.958 9.131 1.00 0.00 H new ATOM 0 HB3 MET A 62 70.499 -2.218 7.587 1.00 0.00 H new ATOM 0 HG2 MET A 62 68.279 -1.614 7.769 1.00 0.00 H new ATOM 0 HG3 MET A 62 68.096 -3.125 6.901 1.00 0.00 H new ATOM 0 HE1 MET A 62 66.653 -1.994 11.023 1.00 0.00 H new ATOM 0 HE2 MET A 62 68.348 -1.662 10.595 1.00 0.00 H new ATOM 0 HE3 MET A 62 67.033 -1.000 9.597 1.00 0.00 H new ATOM 617 N ASP A 63 68.345 -5.697 7.017 1.00 0.00 N ATOM 618 CA ASP A 63 67.321 -6.703 7.281 1.00 0.00 C ATOM 619 C ASP A 63 67.919 -8.106 7.128 1.00 0.00 C ATOM 620 O ASP A 63 67.611 -9.031 7.869 1.00 0.00 O ATOM 621 CB ASP A 63 66.159 -6.489 6.301 1.00 0.00 C ATOM 622 CG ASP A 63 65.019 -7.497 6.500 1.00 0.00 C ATOM 623 OD1 ASP A 63 64.284 -7.362 7.477 1.00 0.00 O ATOM 624 OD2 ASP A 63 64.879 -8.401 5.676 1.00 0.00 O ATOM 0 H ASP A 63 68.241 -5.200 6.132 1.00 0.00 H new ATOM 0 HA ASP A 63 66.949 -6.607 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 63 65.769 -5.478 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 63 66.532 -6.567 5.280 1.00 0.00 H new ATOM 629 N LYS A 64 68.807 -8.171 6.119 1.00 0.00 N ATOM 630 CA LYS A 64 69.525 -9.391 5.813 1.00 0.00 C ATOM 631 C LYS A 64 70.528 -9.738 6.916 1.00 0.00 C ATOM 632 O LYS A 64 70.752 -10.896 7.246 1.00 0.00 O ATOM 633 CB LYS A 64 70.249 -9.184 4.478 1.00 0.00 C ATOM 634 CG LYS A 64 69.751 -10.142 3.408 1.00 0.00 C ATOM 635 CD LYS A 64 68.302 -9.843 3.007 1.00 0.00 C ATOM 636 CE LYS A 64 67.830 -10.821 1.936 1.00 0.00 C ATOM 637 NZ LYS A 64 67.393 -12.066 2.552 1.00 0.00 N ATOM 0 H LYS A 64 69.034 -7.385 5.510 1.00 0.00 H new ATOM 0 HA LYS A 64 68.824 -10.223 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 64 70.104 -8.157 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 64 71.320 -9.324 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 64 70.393 -10.072 2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 64 69.823 -11.166 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 64 67.655 -9.912 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 64 68.225 -8.822 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 64 67.011 -10.381 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 64 68.638 -11.019 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 67.074 -12.725 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 68.185 -12.491 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 66.608 -11.873 3.207 1.00 0.00 H new ATOM 651 N HIS A 65 71.113 -8.646 7.441 1.00 0.00 N ATOM 652 CA HIS A 65 72.137 -8.766 8.459 1.00 0.00 C ATOM 653 C HIS A 65 71.573 -8.755 9.884 1.00 0.00 C ATOM 654 O HIS A 65 72.342 -8.815 10.836 1.00 0.00 O ATOM 655 CB HIS A 65 73.088 -7.587 8.317 1.00 0.00 C ATOM 656 CG HIS A 65 74.122 -7.849 7.249 1.00 0.00 C ATOM 657 ND1 HIS A 65 74.376 -7.003 6.233 1.00 0.00 N ATOM 658 CD2 HIS A 65 75.022 -8.927 7.153 1.00 0.00 C ATOM 659 CE1 HIS A 65 75.402 -7.533 5.560 1.00 0.00 C ATOM 660 NE2 HIS A 65 75.816 -8.695 6.087 1.00 0.00 N ATOM 0 H HIS A 65 70.888 -7.688 7.172 1.00 0.00 H new ATOM 0 HA HIS A 65 72.635 -9.724 8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 65 72.524 -6.688 8.068 1.00 0.00 H new ATOM 0 HB3 HIS A 65 73.584 -7.399 9.269 1.00 0.00 H new ATOM 0 HD1 HIS A 65 73.885 -6.134 6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 65 75.068 -9.782 7.811 1.00 0.00 H new ATOM 0 HE1 HIS A 65 75.848 -7.076 4.689 1.00 0.00 H new ATOM 668 N ASN A 66 70.226 -8.683 10.008 1.00 0.00 N ATOM 669 CA ASN A 66 69.619 -8.764 11.340 1.00 0.00 C ATOM 670 C ASN A 66 70.069 -7.599 12.260 1.00 0.00 C ATOM 671 O ASN A 66 70.512 -7.794 13.384 1.00 0.00 O ATOM 672 CB ASN A 66 69.948 -10.138 11.979 1.00 0.00 C ATOM 673 CG ASN A 66 68.811 -11.137 11.774 1.00 0.00 C ATOM 674 OD1 ASN A 66 68.525 -11.575 10.668 1.00 0.00 O ATOM 675 ND2 ASN A 66 68.199 -11.468 12.925 1.00 0.00 N ATOM 0 H ASN A 66 69.571 -8.574 9.234 1.00 0.00 H new ATOM 0 HA ASN A 66 68.539 -8.670 11.226 1.00 0.00 H new ATOM 0 HB2 ASN A 66 70.865 -10.534 11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 66 70.133 -10.010 13.045 1.00 0.00 H new ATOM 0 HD21 ASN A 66 67.428 -12.136 12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 66 68.506 -11.051 13.804 1.00 0.00 H new ATOM 682 N LEU A 67 69.935 -6.384 11.702 1.00 0.00 N ATOM 683 CA LEU A 67 70.402 -5.164 12.344 1.00 0.00 C ATOM 684 C LEU A 67 69.235 -4.244 12.706 1.00 0.00 C ATOM 685 O LEU A 67 69.343 -3.023 12.690 1.00 0.00 O ATOM 686 CB LEU A 67 71.321 -4.444 11.364 1.00 0.00 C ATOM 687 CG LEU A 67 72.734 -5.019 11.284 1.00 0.00 C ATOM 688 CD1 LEU A 67 73.532 -4.197 10.264 1.00 0.00 C ATOM 689 CD2 LEU A 67 73.408 -5.021 12.663 1.00 0.00 C ATOM 0 H LEU A 67 69.499 -6.230 10.793 1.00 0.00 H new ATOM 0 HA LEU A 67 70.925 -5.420 13.265 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.871 -4.478 10.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 71.385 -3.394 11.649 1.00 0.00 H new ATOM 0 HG LEU A 67 72.695 -6.058 10.958 1.00 0.00 H new ATOM 0 HD11 LEU A 67 74.545 -4.592 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 67 73.048 -4.258 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 67 73.570 -3.156 10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 67 74.412 -5.435 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 67 73.468 -4.000 13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 67 72.823 -5.629 13.353 1.00 0.00 H new ATOM 701 N GLU A 68 68.130 -4.912 13.069 1.00 0.00 N ATOM 702 CA GLU A 68 66.920 -4.226 13.498 1.00 0.00 C ATOM 703 C GLU A 68 67.113 -3.362 14.752 1.00 0.00 C ATOM 704 O GLU A 68 66.289 -2.505 15.046 1.00 0.00 O ATOM 705 CB GLU A 68 65.886 -5.302 13.809 1.00 0.00 C ATOM 706 CG GLU A 68 65.436 -6.028 12.536 1.00 0.00 C ATOM 707 CD GLU A 68 64.310 -5.232 11.855 1.00 0.00 C ATOM 708 OE1 GLU A 68 63.174 -5.319 12.317 1.00 0.00 O ATOM 709 OE2 GLU A 68 64.581 -4.533 10.879 1.00 0.00 O ATOM 0 H GLU A 68 68.058 -5.929 13.071 1.00 0.00 H new ATOM 0 HA GLU A 68 66.614 -3.550 12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 68 66.307 -6.022 14.511 1.00 0.00 H new ATOM 0 HB3 GLU A 68 65.022 -4.849 14.296 1.00 0.00 H new ATOM 0 HG2 GLU A 68 66.278 -6.141 11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 68 65.088 -7.031 12.782 1.00 0.00 H new ATOM 716 N GLU A 69 68.250 -3.622 15.443 1.00 0.00 N ATOM 717 CA GLU A 69 68.712 -2.854 16.594 1.00 0.00 C ATOM 718 C GLU A 69 68.504 -1.334 16.444 1.00 0.00 C ATOM 719 O GLU A 69 68.247 -0.633 17.411 1.00 0.00 O ATOM 720 CB GLU A 69 70.202 -3.168 16.808 1.00 0.00 C ATOM 721 CG GLU A 69 71.108 -2.668 15.665 1.00 0.00 C ATOM 722 CD GLU A 69 72.525 -3.225 15.820 1.00 0.00 C ATOM 723 OE1 GLU A 69 72.714 -4.414 15.579 1.00 0.00 O ATOM 724 OE2 GLU A 69 73.425 -2.473 16.183 1.00 0.00 O ATOM 0 H GLU A 69 68.875 -4.391 15.199 1.00 0.00 H new ATOM 0 HA GLU A 69 68.115 -3.149 17.457 1.00 0.00 H new ATOM 0 HB2 GLU A 69 70.529 -2.716 17.744 1.00 0.00 H new ATOM 0 HB3 GLU A 69 70.326 -4.246 16.914 1.00 0.00 H new ATOM 0 HG2 GLU A 69 70.694 -2.974 14.704 1.00 0.00 H new ATOM 0 HG3 GLU A 69 71.137 -1.578 15.667 1.00 0.00 H new ATOM 731 N GLU A 70 68.626 -0.896 15.169 1.00 0.00 N ATOM 732 CA GLU A 70 68.481 0.499 14.805 1.00 0.00 C ATOM 733 C GLU A 70 67.610 0.601 13.550 1.00 0.00 C ATOM 734 O GLU A 70 67.172 -0.384 12.972 1.00 0.00 O ATOM 735 CB GLU A 70 69.888 1.077 14.588 1.00 0.00 C ATOM 736 CG GLU A 70 70.663 1.247 15.904 1.00 0.00 C ATOM 737 CD GLU A 70 69.946 2.236 16.842 1.00 0.00 C ATOM 738 OE1 GLU A 70 69.876 3.417 16.510 1.00 0.00 O ATOM 739 OE2 GLU A 70 69.456 1.814 17.889 1.00 0.00 O ATOM 0 H GLU A 70 68.827 -1.511 14.380 1.00 0.00 H new ATOM 0 HA GLU A 70 67.987 1.073 15.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 70.448 0.421 13.922 1.00 0.00 H new ATOM 0 HB3 GLU A 70 69.808 2.043 14.090 1.00 0.00 H new ATOM 0 HG2 GLU A 70 70.765 0.281 16.398 1.00 0.00 H new ATOM 0 HG3 GLU A 70 71.671 1.605 15.693 1.00 0.00 H new ATOM 746 N GLU A 71 67.386 1.883 13.199 1.00 0.00 N ATOM 747 CA GLU A 71 66.573 2.252 12.052 1.00 0.00 C ATOM 748 C GLU A 71 67.435 2.183 10.774 1.00 0.00 C ATOM 749 O GLU A 71 68.631 1.938 10.848 1.00 0.00 O ATOM 750 CB GLU A 71 66.041 3.675 12.321 1.00 0.00 C ATOM 751 CG GLU A 71 64.528 3.696 12.632 1.00 0.00 C ATOM 752 CD GLU A 71 63.757 4.794 11.870 1.00 0.00 C ATOM 753 OE1 GLU A 71 64.176 5.948 11.902 1.00 0.00 O ATOM 754 OE2 GLU A 71 62.742 4.479 11.246 1.00 0.00 O ATOM 0 H GLU A 71 67.768 2.680 13.709 1.00 0.00 H new ATOM 0 HA GLU A 71 65.732 1.574 11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.586 4.110 13.159 1.00 0.00 H new ATOM 0 HB3 GLU A 71 66.238 4.303 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.101 2.724 12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 71 64.388 3.841 13.703 1.00 0.00 H new ATOM 761 N PRO A 72 66.785 2.415 9.592 1.00 0.00 N ATOM 762 CA PRO A 72 67.508 2.447 8.320 1.00 0.00 C ATOM 763 C PRO A 72 68.364 3.720 8.178 1.00 0.00 C ATOM 764 O PRO A 72 69.483 3.725 7.691 1.00 0.00 O ATOM 765 CB PRO A 72 66.382 2.510 7.274 1.00 0.00 C ATOM 766 CG PRO A 72 65.177 3.106 7.999 1.00 0.00 C ATOM 767 CD PRO A 72 65.349 2.669 9.446 1.00 0.00 C ATOM 0 HA PRO A 72 68.183 1.596 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 72 66.672 3.127 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 72 66.153 1.518 6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 72 65.159 4.192 7.912 1.00 0.00 H new ATOM 0 HG3 PRO A 72 64.240 2.737 7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.012 3.443 10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 72 64.765 1.774 9.661 1.00 0.00 H new ATOM 775 N GLU A 73 67.771 4.806 8.687 1.00 0.00 N ATOM 776 CA GLU A 73 68.435 6.097 8.629 1.00 0.00 C ATOM 777 C GLU A 73 69.715 6.156 9.496 1.00 0.00 C ATOM 778 O GLU A 73 70.483 7.105 9.416 1.00 0.00 O ATOM 779 CB GLU A 73 67.429 7.135 9.123 1.00 0.00 C ATOM 780 CG GLU A 73 66.994 6.853 10.569 1.00 0.00 C ATOM 781 CD GLU A 73 66.529 8.125 11.283 1.00 0.00 C ATOM 782 OE1 GLU A 73 65.473 8.645 10.930 1.00 0.00 O ATOM 783 OE2 GLU A 73 67.232 8.583 12.185 1.00 0.00 O ATOM 0 H GLU A 73 66.853 4.811 9.133 1.00 0.00 H new ATOM 0 HA GLU A 73 68.755 6.287 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 73 67.871 8.129 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 73 66.555 7.135 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 73 66.187 6.121 10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 73 67.825 6.411 11.119 1.00 0.00 H new ATOM 790 N ASP A 74 69.875 5.101 10.336 1.00 0.00 N ATOM 791 CA ASP A 74 70.958 5.044 11.303 1.00 0.00 C ATOM 792 C ASP A 74 72.146 4.241 10.754 1.00 0.00 C ATOM 793 O ASP A 74 72.831 3.549 11.494 1.00 0.00 O ATOM 794 CB ASP A 74 70.438 4.361 12.579 1.00 0.00 C ATOM 795 CG ASP A 74 71.141 4.931 13.823 1.00 0.00 C ATOM 796 OD1 ASP A 74 70.753 6.011 14.269 1.00 0.00 O ATOM 797 OD2 ASP A 74 72.067 4.297 14.328 1.00 0.00 O ATOM 0 H ASP A 74 69.259 4.288 10.349 1.00 0.00 H new ATOM 0 HA ASP A 74 71.297 6.058 11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 74 69.361 4.508 12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 74 70.609 3.286 12.518 1.00 0.00 H new ATOM 802 N TYR A 75 72.340 4.354 9.427 1.00 0.00 N ATOM 803 CA TYR A 75 73.398 3.597 8.787 1.00 0.00 C ATOM 804 C TYR A 75 73.972 4.464 7.659 1.00 0.00 C ATOM 805 O TYR A 75 73.260 4.999 6.826 1.00 0.00 O ATOM 806 CB TYR A 75 72.808 2.284 8.251 1.00 0.00 C ATOM 807 CG TYR A 75 72.772 1.170 9.267 1.00 0.00 C ATOM 808 CD1 TYR A 75 73.901 0.393 9.479 1.00 0.00 C ATOM 809 CD2 TYR A 75 71.629 0.900 10.013 1.00 0.00 C ATOM 810 CE1 TYR A 75 73.931 -0.584 10.458 1.00 0.00 C ATOM 811 CE2 TYR A 75 71.638 -0.094 10.983 1.00 0.00 C ATOM 812 CZ TYR A 75 72.798 -0.814 11.227 1.00 0.00 C ATOM 813 OH TYR A 75 72.820 -1.741 12.246 1.00 0.00 O ATOM 0 H TYR A 75 71.790 4.946 8.805 1.00 0.00 H new ATOM 0 HA TYR A 75 74.199 3.345 9.483 1.00 0.00 H new ATOM 0 HB2 TYR A 75 71.795 2.471 7.895 1.00 0.00 H new ATOM 0 HB3 TYR A 75 73.393 1.959 7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 75 74.776 0.554 8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 75 70.728 1.468 9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 75 74.828 -1.163 10.623 1.00 0.00 H new ATOM 0 HE2 TYR A 75 70.742 -0.306 11.547 1.00 0.00 H new ATOM 0 HH TYR A 75 72.041 -1.608 12.826 1.00 0.00 H new ATOM 823 N GLU A 76 75.305 4.576 7.696 1.00 0.00 N ATOM 824 CA GLU A 76 76.077 5.195 6.645 1.00 0.00 C ATOM 825 C GLU A 76 76.192 4.249 5.445 1.00 0.00 C ATOM 826 O GLU A 76 76.514 3.078 5.589 1.00 0.00 O ATOM 827 CB GLU A 76 77.448 5.502 7.265 1.00 0.00 C ATOM 828 CG GLU A 76 77.669 7.005 7.396 1.00 0.00 C ATOM 829 CD GLU A 76 78.340 7.508 6.134 1.00 0.00 C ATOM 830 OE1 GLU A 76 77.667 7.630 5.110 1.00 0.00 O ATOM 831 OE2 GLU A 76 79.539 7.751 6.208 1.00 0.00 O ATOM 0 H GLU A 76 75.872 4.231 8.471 1.00 0.00 H new ATOM 0 HA GLU A 76 75.611 6.106 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 76 77.519 5.034 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 76 78.235 5.068 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 76 76.718 7.515 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 76 78.289 7.222 8.266 1.00 0.00 H new ATOM 838 N LEU A 77 75.938 4.841 4.257 1.00 0.00 N ATOM 839 CA LEU A 77 76.146 4.107 3.018 1.00 0.00 C ATOM 840 C LEU A 77 77.417 4.596 2.336 1.00 0.00 C ATOM 841 O LEU A 77 77.516 5.754 1.961 1.00 0.00 O ATOM 842 CB LEU A 77 74.987 4.365 2.060 1.00 0.00 C ATOM 843 CG LEU A 77 74.990 3.365 0.893 1.00 0.00 C ATOM 844 CD1 LEU A 77 74.967 1.928 1.438 1.00 0.00 C ATOM 845 CD2 LEU A 77 73.819 3.618 -0.063 1.00 0.00 C ATOM 0 H LEU A 77 75.599 5.796 4.144 1.00 0.00 H new ATOM 0 HA LEU A 77 76.219 3.046 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 77 74.043 4.293 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 77 75.054 5.381 1.671 1.00 0.00 H new ATOM 0 HG LEU A 77 75.906 3.505 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 77 74.969 1.223 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 77 75.847 1.760 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 77 74.068 1.780 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 77 73.851 2.894 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 77 72.879 3.515 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 77 73.894 4.626 -0.471 1.00 0.00 H new ATOM 857 N LEU A 78 78.367 3.655 2.194 1.00 0.00 N ATOM 858 CA LEU A 78 79.651 3.988 1.609 1.00 0.00 C ATOM 859 C LEU A 78 79.851 3.084 0.409 1.00 0.00 C ATOM 860 O LEU A 78 79.427 1.943 0.426 1.00 0.00 O ATOM 861 CB LEU A 78 80.785 3.815 2.635 1.00 0.00 C ATOM 862 CG LEU A 78 80.552 4.528 3.970 1.00 0.00 C ATOM 863 CD1 LEU A 78 80.095 5.960 3.739 1.00 0.00 C ATOM 864 CD2 LEU A 78 79.591 3.762 4.881 1.00 0.00 C ATOM 0 H LEU A 78 78.262 2.680 2.474 1.00 0.00 H new ATOM 0 HA LEU A 78 79.670 5.033 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.925 2.751 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.712 4.185 2.198 1.00 0.00 H new ATOM 0 HG LEU A 78 81.506 4.558 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 78 79.935 6.450 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 78 80.859 6.500 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.164 5.958 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.460 4.310 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 78 78.627 3.655 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 78 80.001 2.775 5.094 1.00 0.00 H new ATOM 876 N GLN A 79 80.494 3.646 -0.633 1.00 0.00 N ATOM 877 CA GLN A 79 80.850 2.847 -1.793 1.00 0.00 C ATOM 878 C GLN A 79 82.361 2.626 -1.755 1.00 0.00 C ATOM 879 O GLN A 79 83.087 3.459 -1.243 1.00 0.00 O ATOM 880 CB GLN A 79 80.395 3.590 -3.054 1.00 0.00 C ATOM 881 CG GLN A 79 80.008 2.615 -4.166 1.00 0.00 C ATOM 882 CD GLN A 79 81.175 2.124 -4.996 1.00 0.00 C ATOM 883 OE1 GLN A 79 81.824 3.106 -5.621 1.00 0.00 O flip ATOM 884 NE2 GLN A 79 81.455 0.939 -5.063 1.00 0.00 N flip ATOM 0 H GLN A 79 80.767 4.627 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 79 80.361 1.873 -1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 79 79.544 4.228 -2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 79 81.195 4.243 -3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 79 79.506 1.756 -3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 79 79.287 3.100 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 79 80.901 0.254 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 79 82.243 0.633 -5.633 1.00 0.00 H new ATOM 893 N ILE A 80 82.802 1.472 -2.293 1.00 0.00 N ATOM 894 CA ILE A 80 84.228 1.160 -2.313 1.00 0.00 C ATOM 895 C ILE A 80 84.783 1.415 -3.710 1.00 0.00 C ATOM 896 O ILE A 80 84.308 0.898 -4.714 1.00 0.00 O ATOM 897 CB ILE A 80 84.452 -0.292 -1.900 1.00 0.00 C ATOM 898 CG1 ILE A 80 84.242 -0.480 -0.389 1.00 0.00 C ATOM 899 CG2 ILE A 80 85.826 -0.831 -2.348 1.00 0.00 C ATOM 900 CD1 ILE A 80 83.261 -1.612 -0.078 1.00 0.00 C ATOM 0 H ILE A 80 82.200 0.761 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 80 84.751 1.801 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 80 83.701 -0.885 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 80 85.200 -0.691 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 80 83.870 0.449 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 80 85.932 -1.868 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 80 85.902 -0.777 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 80 86.617 -0.230 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 80 83.145 -1.707 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 80 82.294 -1.389 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 80 83.644 -2.548 -0.485 1.00 0.00 H new ATOM 912 N LEU A 81 85.825 2.269 -3.665 1.00 0.00 N ATOM 913 CA LEU A 81 86.433 2.808 -4.862 1.00 0.00 C ATOM 914 C LEU A 81 87.719 2.050 -5.177 1.00 0.00 C ATOM 915 O LEU A 81 87.768 1.238 -6.090 1.00 0.00 O ATOM 916 CB LEU A 81 86.583 4.332 -4.779 1.00 0.00 C ATOM 917 CG LEU A 81 85.451 4.981 -3.975 1.00 0.00 C ATOM 918 CD1 LEU A 81 85.626 6.486 -3.957 1.00 0.00 C ATOM 919 CD2 LEU A 81 84.072 4.569 -4.493 1.00 0.00 C ATOM 0 H LEU A 81 86.254 2.592 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 81 85.774 2.651 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.540 4.577 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.597 4.750 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 81 85.508 4.619 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.817 6.939 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.582 6.736 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 81 85.605 6.867 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 81 83.299 5.052 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 81 83.968 4.874 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.964 3.487 -4.420 1.00 0.00 H new ATOM 931 N SER A 82 88.753 2.372 -4.372 1.00 0.00 N ATOM 932 CA SER A 82 90.076 1.818 -4.640 1.00 0.00 C ATOM 933 C SER A 82 90.856 1.828 -3.334 1.00 0.00 C ATOM 934 O SER A 82 90.797 2.817 -2.643 1.00 0.00 O ATOM 935 CB SER A 82 90.810 2.731 -5.645 1.00 0.00 C ATOM 936 OG SER A 82 89.880 3.509 -6.392 1.00 0.00 O ATOM 0 H SER A 82 88.694 2.990 -3.563 1.00 0.00 H new ATOM 0 HA SER A 82 89.992 0.809 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 82 91.496 3.389 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 82 91.411 2.125 -6.323 1.00 0.00 H new ATOM 0 HG SER A 82 90.365 4.082 -7.022 1.00 0.00 H new ATOM 942 N ASP A 83 91.591 0.732 -3.033 1.00 0.00 N ATOM 943 CA ASP A 83 92.481 0.673 -1.860 1.00 0.00 C ATOM 944 C ASP A 83 92.014 1.513 -0.649 1.00 0.00 C ATOM 945 O ASP A 83 92.679 2.471 -0.276 1.00 0.00 O ATOM 946 CB ASP A 83 93.883 1.177 -2.259 1.00 0.00 C ATOM 947 CG ASP A 83 94.500 0.317 -3.370 1.00 0.00 C ATOM 948 OD1 ASP A 83 94.624 -0.892 -3.177 1.00 0.00 O ATOM 949 OD2 ASP A 83 94.852 0.863 -4.415 1.00 0.00 O ATOM 0 H ASP A 83 91.582 -0.122 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 83 92.478 -0.372 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 83 93.816 2.212 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 83 94.536 1.167 -1.386 1.00 0.00 H new ATOM 954 N ASP A 84 90.843 1.125 -0.086 1.00 0.00 N ATOM 955 CA ASP A 84 90.299 1.771 1.118 1.00 0.00 C ATOM 956 C ASP A 84 89.486 3.047 0.826 1.00 0.00 C ATOM 957 O ASP A 84 88.567 3.383 1.561 1.00 0.00 O ATOM 958 CB ASP A 84 91.407 2.095 2.139 1.00 0.00 C ATOM 959 CG ASP A 84 90.851 2.273 3.558 1.00 0.00 C ATOM 960 OD1 ASP A 84 90.485 1.272 4.172 1.00 0.00 O ATOM 961 OD2 ASP A 84 90.795 3.407 4.032 1.00 0.00 O ATOM 0 H ASP A 84 90.264 0.369 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 84 89.612 1.038 1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 84 92.146 1.294 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 84 91.924 3.006 1.836 1.00 0.00 H new ATOM 966 N ARG A 85 89.881 3.729 -0.273 1.00 0.00 N ATOM 967 CA ARG A 85 89.198 4.917 -0.760 1.00 0.00 C ATOM 968 C ARG A 85 87.705 4.600 -0.921 1.00 0.00 C ATOM 969 O ARG A 85 87.328 3.808 -1.770 1.00 0.00 O ATOM 970 CB ARG A 85 89.803 5.344 -2.116 1.00 0.00 C ATOM 971 CG ARG A 85 89.916 6.846 -2.283 1.00 0.00 C ATOM 972 CD ARG A 85 88.597 7.555 -2.018 1.00 0.00 C ATOM 973 NE ARG A 85 88.449 8.606 -3.004 1.00 0.00 N ATOM 974 CZ ARG A 85 87.697 9.689 -2.757 1.00 0.00 C ATOM 975 NH1 ARG A 85 86.812 9.687 -1.762 1.00 0.00 N ATOM 976 NH2 ARG A 85 87.865 10.765 -3.512 1.00 0.00 N ATOM 0 H ARG A 85 90.686 3.458 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 85 89.320 5.735 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 85 90.793 4.900 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.188 4.942 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 85 90.676 7.229 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 85 90.252 7.073 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 85 87.767 6.852 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 85 88.584 7.972 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 85 88.925 8.521 -3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.701 8.857 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 85 86.245 10.516 -1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 85 88.555 10.758 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 85 87.304 11.600 -3.342 1.00 0.00 H new ATOM 990 N LYS A 86 86.912 5.243 -0.039 1.00 0.00 N ATOM 991 CA LYS A 86 85.471 5.038 0.002 1.00 0.00 C ATOM 992 C LYS A 86 84.765 6.386 -0.198 1.00 0.00 C ATOM 993 O LYS A 86 85.304 7.441 0.107 1.00 0.00 O ATOM 994 CB LYS A 86 85.103 4.416 1.353 1.00 0.00 C ATOM 995 CG LYS A 86 85.220 2.891 1.324 1.00 0.00 C ATOM 996 CD LYS A 86 84.710 2.265 2.616 1.00 0.00 C ATOM 997 CE LYS A 86 85.660 2.494 3.795 1.00 0.00 C ATOM 998 NZ LYS A 86 85.992 1.223 4.420 1.00 0.00 N ATOM 0 H LYS A 86 87.258 5.909 0.652 1.00 0.00 H new ATOM 0 HA LYS A 86 85.153 4.364 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 86 85.756 4.816 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 86 84.084 4.698 1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 86 84.653 2.498 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 86 86.261 2.608 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 86 83.732 2.681 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 86 84.573 1.194 2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 86 86.569 2.987 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 86 85.195 3.157 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 86.637 1.387 5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 85.123 0.768 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 86.454 0.604 3.724 1.00 0.00 H new ATOM 1012 N LEU A 87 83.531 6.270 -0.735 1.00 0.00 N ATOM 1013 CA LEU A 87 82.665 7.412 -1.011 1.00 0.00 C ATOM 1014 C LEU A 87 81.472 7.342 -0.075 1.00 0.00 C ATOM 1015 O LEU A 87 81.157 6.284 0.436 1.00 0.00 O ATOM 1016 CB LEU A 87 82.194 7.340 -2.470 1.00 0.00 C ATOM 1017 CG LEU A 87 82.867 8.415 -3.337 1.00 0.00 C ATOM 1018 CD1 LEU A 87 82.892 8.030 -4.820 1.00 0.00 C ATOM 1019 CD2 LEU A 87 82.185 9.772 -3.144 1.00 0.00 C ATOM 0 H LEU A 87 83.116 5.373 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 87 83.200 8.349 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 87 82.416 6.353 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 87 81.112 7.465 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 87 83.903 8.492 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 87 83.377 8.820 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 87 83.445 7.099 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 87 81.871 7.896 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 87 82.677 10.519 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 87 81.136 9.696 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 87 82.256 10.069 -2.098 1.00 0.00 H new ATOM 1031 N LYS A 88 80.846 8.522 0.117 1.00 0.00 N ATOM 1032 CA LYS A 88 79.709 8.651 1.023 1.00 0.00 C ATOM 1033 C LYS A 88 78.455 9.048 0.248 1.00 0.00 C ATOM 1034 O LYS A 88 78.477 9.964 -0.564 1.00 0.00 O ATOM 1035 CB LYS A 88 80.062 9.723 2.056 1.00 0.00 C ATOM 1036 CG LYS A 88 79.493 9.431 3.439 1.00 0.00 C ATOM 1037 CD LYS A 88 80.361 10.041 4.536 1.00 0.00 C ATOM 1038 CE LYS A 88 80.582 11.531 4.351 1.00 0.00 C ATOM 1039 NZ LYS A 88 81.076 12.097 5.594 1.00 0.00 N ATOM 0 H LYS A 88 81.115 9.390 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 88 79.504 7.701 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 88 81.146 9.808 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 88 79.688 10.687 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.481 9.829 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 88 79.422 8.353 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 88 79.892 9.865 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.326 9.535 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 88 81.297 11.708 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.650 12.016 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 81.229 13.119 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 80.379 11.938 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 81.974 11.640 5.851 1.00 0.00 H new ATOM 1053 N ILE A 89 77.372 8.301 0.556 1.00 0.00 N ATOM 1054 CA ILE A 89 76.101 8.500 -0.126 1.00 0.00 C ATOM 1055 C ILE A 89 75.102 9.122 0.869 1.00 0.00 C ATOM 1056 O ILE A 89 74.920 8.606 1.967 1.00 0.00 O ATOM 1057 CB ILE A 89 75.580 7.165 -0.684 1.00 0.00 C ATOM 1058 CG1 ILE A 89 76.734 6.399 -1.355 1.00 0.00 C ATOM 1059 CG2 ILE A 89 74.389 7.383 -1.626 1.00 0.00 C ATOM 1060 CD1 ILE A 89 76.299 5.346 -2.364 1.00 0.00 C ATOM 0 H ILE A 89 77.364 7.567 1.265 1.00 0.00 H new ATOM 0 HA ILE A 89 76.229 9.176 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 89 75.207 6.553 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 89 77.384 7.116 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 89 77.330 5.916 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 89 74.043 6.421 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 89 73.580 7.871 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 89 74.696 8.012 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 89 77.179 4.859 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 89 75.675 4.602 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 89 75.731 5.821 -3.164 1.00 0.00 H new ATOM 1072 N PRO A 90 74.448 10.245 0.448 1.00 0.00 N ATOM 1073 CA PRO A 90 73.430 10.903 1.263 1.00 0.00 C ATOM 1074 C PRO A 90 72.160 10.048 1.294 1.00 0.00 C ATOM 1075 O PRO A 90 72.033 9.084 0.551 1.00 0.00 O ATOM 1076 CB PRO A 90 73.162 12.236 0.555 1.00 0.00 C ATOM 1077 CG PRO A 90 73.562 11.996 -0.893 1.00 0.00 C ATOM 1078 CD PRO A 90 74.646 10.907 -0.842 1.00 0.00 C ATOM 0 HA PRO A 90 73.747 11.047 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 90 72.113 12.521 0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 90 73.746 13.043 0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 90 72.708 11.673 -1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 90 73.943 12.908 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 90 74.540 10.204 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 90 75.644 11.338 -0.917 1.00 0.00 H new ATOM 1086 N GLU A 91 71.255 10.467 2.206 1.00 0.00 N ATOM 1087 CA GLU A 91 70.018 9.752 2.488 1.00 0.00 C ATOM 1088 C GLU A 91 69.090 9.574 1.256 1.00 0.00 C ATOM 1089 O GLU A 91 68.214 8.731 1.283 1.00 0.00 O ATOM 1090 CB GLU A 91 69.269 10.470 3.615 1.00 0.00 C ATOM 1091 CG GLU A 91 67.970 9.760 4.039 1.00 0.00 C ATOM 1092 CD GLU A 91 67.167 10.582 5.054 1.00 0.00 C ATOM 1093 OE1 GLU A 91 67.735 10.988 6.066 1.00 0.00 O ATOM 1094 OE2 GLU A 91 65.979 10.807 4.821 1.00 0.00 O ATOM 0 H GLU A 91 71.374 11.314 2.762 1.00 0.00 H new ATOM 0 HA GLU A 91 70.301 8.743 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 91 69.926 10.555 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 91 69.031 11.484 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 91 67.356 9.573 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 91 68.213 8.789 4.471 1.00 0.00 H new ATOM 1101 N ASN A 92 69.276 10.376 0.190 1.00 0.00 N ATOM 1102 CA ASN A 92 68.316 10.268 -0.920 1.00 0.00 C ATOM 1103 C ASN A 92 68.998 10.200 -2.277 1.00 0.00 C ATOM 1104 O ASN A 92 68.342 10.125 -3.308 1.00 0.00 O ATOM 1105 CB ASN A 92 67.345 11.455 -0.885 1.00 0.00 C ATOM 1106 CG ASN A 92 65.883 11.052 -1.170 1.00 0.00 C ATOM 1107 OD1 ASN A 92 64.972 11.485 -0.478 1.00 0.00 O ATOM 1108 ND2 ASN A 92 65.703 10.205 -2.203 1.00 0.00 N ATOM 0 H ASN A 92 70.025 11.058 0.076 1.00 0.00 H new ATOM 0 HA ASN A 92 67.771 9.334 -0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 92 67.400 11.932 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 92 67.661 12.196 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 92 64.764 9.889 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 92 66.506 9.880 -2.742 1.00 0.00 H new ATOM 1115 N ALA A 93 70.340 10.213 -2.232 1.00 0.00 N ATOM 1116 CA ALA A 93 71.077 10.038 -3.467 1.00 0.00 C ATOM 1117 C ALA A 93 70.715 8.682 -4.047 1.00 0.00 C ATOM 1118 O ALA A 93 71.064 7.652 -3.484 1.00 0.00 O ATOM 1119 CB ALA A 93 72.552 10.001 -3.126 1.00 0.00 C ATOM 0 H ALA A 93 70.904 10.337 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 93 70.848 10.841 -4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 93 73.133 9.870 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 93 72.838 10.936 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.748 9.170 -2.448 1.00 0.00 H new ATOM 1125 N ASN A 94 70.011 8.770 -5.196 1.00 0.00 N ATOM 1126 CA ASN A 94 69.698 7.609 -6.013 1.00 0.00 C ATOM 1127 C ASN A 94 70.937 6.718 -6.086 1.00 0.00 C ATOM 1128 O ASN A 94 71.895 7.048 -6.750 1.00 0.00 O ATOM 1129 CB ASN A 94 69.277 8.077 -7.427 1.00 0.00 C ATOM 1130 CG ASN A 94 69.961 9.378 -7.935 1.00 0.00 C ATOM 1131 OD1 ASN A 94 69.295 10.271 -8.440 1.00 0.00 O ATOM 1132 ND2 ASN A 94 71.300 9.460 -7.786 1.00 0.00 N ATOM 0 H ASN A 94 69.652 9.648 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 94 68.874 7.044 -5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 94 69.491 7.275 -8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 94 68.198 8.229 -7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 94 71.798 10.293 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 94 71.814 8.689 -7.359 1.00 0.00 H new ATOM 1139 N VAL A 95 70.924 5.603 -5.333 1.00 0.00 N ATOM 1140 CA VAL A 95 72.151 4.814 -5.310 1.00 0.00 C ATOM 1141 C VAL A 95 72.601 4.487 -6.745 1.00 0.00 C ATOM 1142 O VAL A 95 73.757 4.641 -7.056 1.00 0.00 O ATOM 1143 CB VAL A 95 71.943 3.562 -4.473 1.00 0.00 C ATOM 1144 CG1 VAL A 95 73.138 2.598 -4.491 1.00 0.00 C ATOM 1145 CG2 VAL A 95 71.498 3.898 -3.039 1.00 0.00 C ATOM 0 H VAL A 95 70.143 5.255 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 95 72.951 5.392 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 95 71.128 3.022 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 95 72.914 1.730 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 95 73.329 2.274 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 95 74.020 3.105 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 95 71.361 2.975 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 95 72.260 4.509 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 95 70.557 4.448 -3.069 1.00 0.00 H new ATOM 1155 N PHE A 96 71.649 4.138 -7.627 1.00 0.00 N ATOM 1156 CA PHE A 96 72.036 3.886 -9.017 1.00 0.00 C ATOM 1157 C PHE A 96 72.911 5.011 -9.685 1.00 0.00 C ATOM 1158 O PHE A 96 73.728 4.764 -10.562 1.00 0.00 O ATOM 1159 CB PHE A 96 70.775 3.637 -9.850 1.00 0.00 C ATOM 1160 CG PHE A 96 71.029 2.891 -11.143 1.00 0.00 C ATOM 1161 CD1 PHE A 96 72.302 2.481 -11.546 1.00 0.00 C ATOM 1162 CD2 PHE A 96 69.957 2.599 -11.977 1.00 0.00 C ATOM 1163 CE1 PHE A 96 72.514 1.846 -12.753 1.00 0.00 C ATOM 1164 CE2 PHE A 96 70.164 1.937 -13.182 1.00 0.00 C ATOM 1165 CZ PHE A 96 71.440 1.567 -13.576 1.00 0.00 C ATOM 0 H PHE A 96 70.657 4.029 -7.415 1.00 0.00 H new ATOM 0 HA PHE A 96 72.681 3.008 -8.994 1.00 0.00 H new ATOM 0 HB2 PHE A 96 70.062 3.072 -9.250 1.00 0.00 H new ATOM 0 HB3 PHE A 96 70.309 4.595 -10.081 1.00 0.00 H new ATOM 0 HD1 PHE A 96 73.144 2.666 -10.895 1.00 0.00 H new ATOM 0 HD2 PHE A 96 68.957 2.888 -11.688 1.00 0.00 H new ATOM 0 HE1 PHE A 96 73.514 1.569 -13.052 1.00 0.00 H new ATOM 0 HE2 PHE A 96 69.321 1.709 -13.818 1.00 0.00 H new ATOM 0 HZ PHE A 96 71.594 1.064 -14.519 1.00 0.00 H new ATOM 1175 N TYR A 97 72.710 6.251 -9.215 1.00 0.00 N ATOM 1176 CA TYR A 97 73.421 7.399 -9.773 1.00 0.00 C ATOM 1177 C TYR A 97 74.411 8.079 -8.801 1.00 0.00 C ATOM 1178 O TYR A 97 75.025 9.072 -9.172 1.00 0.00 O ATOM 1179 CB TYR A 97 72.349 8.385 -10.247 1.00 0.00 C ATOM 1180 CG TYR A 97 72.202 8.387 -11.729 1.00 0.00 C ATOM 1181 CD1 TYR A 97 71.504 7.369 -12.365 1.00 0.00 C ATOM 1182 CD2 TYR A 97 72.758 9.416 -12.474 1.00 0.00 C ATOM 1183 CE1 TYR A 97 71.352 7.383 -13.742 1.00 0.00 C ATOM 1184 CE2 TYR A 97 72.608 9.437 -13.850 1.00 0.00 C ATOM 1185 CZ TYR A 97 71.902 8.425 -14.487 1.00 0.00 C ATOM 1186 OH TYR A 97 71.758 8.475 -15.859 1.00 0.00 O ATOM 0 H TYR A 97 72.066 6.478 -8.457 1.00 0.00 H new ATOM 0 HA TYR A 97 74.056 7.052 -10.589 1.00 0.00 H new ATOM 0 HB2 TYR A 97 71.394 8.128 -9.789 1.00 0.00 H new ATOM 0 HB3 TYR A 97 72.605 9.389 -9.908 1.00 0.00 H new ATOM 0 HD1 TYR A 97 71.078 6.564 -11.785 1.00 0.00 H new ATOM 0 HD2 TYR A 97 73.309 10.202 -11.980 1.00 0.00 H new ATOM 0 HE1 TYR A 97 70.810 6.590 -14.236 1.00 0.00 H new ATOM 0 HE2 TYR A 97 73.040 10.240 -14.428 1.00 0.00 H new ATOM 0 HH TYR A 97 72.207 9.274 -16.206 1.00 0.00 H new ATOM 1196 N ALA A 98 74.553 7.533 -7.572 1.00 0.00 N ATOM 1197 CA ALA A 98 75.391 8.193 -6.565 1.00 0.00 C ATOM 1198 C ALA A 98 76.677 7.424 -6.239 1.00 0.00 C ATOM 1199 O ALA A 98 77.300 7.632 -5.205 1.00 0.00 O ATOM 1200 CB ALA A 98 74.575 8.341 -5.296 1.00 0.00 C ATOM 0 H ALA A 98 74.111 6.666 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 98 75.696 9.156 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 98 75.178 8.830 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 98 73.690 8.943 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 98 74.270 7.356 -4.943 1.00 0.00 H new ATOM 1206 N MET A 99 77.017 6.516 -7.171 1.00 0.00 N ATOM 1207 CA MET A 99 78.131 5.600 -6.971 1.00 0.00 C ATOM 1208 C MET A 99 79.186 5.965 -8.000 1.00 0.00 C ATOM 1209 O MET A 99 78.896 6.617 -8.997 1.00 0.00 O ATOM 1210 CB MET A 99 77.639 4.178 -7.224 1.00 0.00 C ATOM 1211 CG MET A 99 76.371 3.867 -6.431 1.00 0.00 C ATOM 1212 SD MET A 99 75.486 2.444 -7.129 1.00 0.00 S ATOM 1213 CE MET A 99 75.370 2.980 -8.841 1.00 0.00 C ATOM 0 H MET A 99 76.533 6.405 -8.062 1.00 0.00 H new ATOM 0 HA MET A 99 78.535 5.664 -5.961 1.00 0.00 H new ATOM 0 HB2 MET A 99 77.444 4.045 -8.288 1.00 0.00 H new ATOM 0 HB3 MET A 99 78.421 3.469 -6.952 1.00 0.00 H new ATOM 0 HG2 MET A 99 76.631 3.662 -5.392 1.00 0.00 H new ATOM 0 HG3 MET A 99 75.717 4.739 -6.430 1.00 0.00 H new ATOM 0 HE1 MET A 99 74.507 2.510 -9.312 1.00 0.00 H new ATOM 0 HE2 MET A 99 75.257 4.064 -8.876 1.00 0.00 H new ATOM 0 HE3 MET A 99 76.276 2.692 -9.375 1.00 0.00 H new ATOM 1223 N ASN A 100 80.412 5.502 -7.704 1.00 0.00 N ATOM 1224 CA ASN A 100 81.499 5.764 -8.629 1.00 0.00 C ATOM 1225 C ASN A 100 81.601 4.589 -9.614 1.00 0.00 C ATOM 1226 O ASN A 100 82.111 3.528 -9.286 1.00 0.00 O ATOM 1227 CB ASN A 100 82.795 5.936 -7.834 1.00 0.00 C ATOM 1228 CG ASN A 100 83.902 6.487 -8.733 1.00 0.00 C ATOM 1229 OD1 ASN A 100 83.658 6.930 -9.850 1.00 0.00 O ATOM 1230 ND2 ASN A 100 85.132 6.411 -8.194 1.00 0.00 N ATOM 0 H ASN A 100 80.658 4.970 -6.869 1.00 0.00 H new ATOM 0 HA ASN A 100 81.319 6.678 -9.195 1.00 0.00 H new ATOM 0 HB2 ASN A 100 82.628 6.612 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 100 83.102 4.978 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 100 85.942 6.735 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 100 85.255 6.029 -7.256 1.00 0.00 H new ATOM 1237 N SER A 101 81.094 4.862 -10.838 1.00 0.00 N ATOM 1238 CA SER A 101 81.088 3.877 -11.919 1.00 0.00 C ATOM 1239 C SER A 101 82.478 3.258 -12.172 1.00 0.00 C ATOM 1240 O SER A 101 82.620 2.052 -12.329 1.00 0.00 O ATOM 1241 CB SER A 101 80.548 4.544 -13.193 1.00 0.00 C ATOM 1242 OG SER A 101 79.925 3.564 -14.010 1.00 0.00 O ATOM 0 H SER A 101 80.685 5.761 -11.092 1.00 0.00 H new ATOM 0 HA SER A 101 80.441 3.052 -11.622 1.00 0.00 H new ATOM 0 HB2 SER A 101 79.833 5.325 -12.933 1.00 0.00 H new ATOM 0 HB3 SER A 101 81.361 5.024 -13.738 1.00 0.00 H new ATOM 0 HG SER A 101 79.578 3.988 -14.823 1.00 0.00 H new ATOM 1248 N THR A 102 83.478 4.169 -12.169 1.00 0.00 N ATOM 1249 CA THR A 102 84.889 3.832 -12.365 1.00 0.00 C ATOM 1250 C THR A 102 85.361 2.678 -11.453 1.00 0.00 C ATOM 1251 O THR A 102 86.152 1.832 -11.851 1.00 0.00 O ATOM 1252 CB THR A 102 85.721 5.103 -12.126 1.00 0.00 C ATOM 1253 OG1 THR A 102 85.587 5.424 -10.758 1.00 0.00 O ATOM 1254 CG2 THR A 102 85.287 6.247 -13.073 1.00 0.00 C ATOM 0 H THR A 102 83.316 5.166 -12.028 1.00 0.00 H new ATOM 0 HA THR A 102 85.025 3.473 -13.385 1.00 0.00 H new ATOM 0 HB THR A 102 86.774 4.942 -12.358 1.00 0.00 H new ATOM 0 HG1 THR A 102 85.133 6.288 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 102 85.895 7.131 -12.878 1.00 0.00 H new ATOM 0 HG22 THR A 102 85.423 5.934 -14.108 1.00 0.00 H new ATOM 0 HG23 THR A 102 84.237 6.483 -12.901 1.00 0.00 H new ATOM 1262 N ALA A 103 84.800 2.692 -10.224 1.00 0.00 N ATOM 1263 CA ALA A 103 85.053 1.639 -9.254 1.00 0.00 C ATOM 1264 C ALA A 103 84.198 0.399 -9.585 1.00 0.00 C ATOM 1265 O ALA A 103 83.964 0.090 -10.747 1.00 0.00 O ATOM 1266 CB ALA A 103 84.750 2.208 -7.874 1.00 0.00 C ATOM 0 H ALA A 103 84.172 3.425 -9.894 1.00 0.00 H new ATOM 0 HA ALA A 103 86.092 1.310 -9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.929 1.444 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 103 85.396 3.065 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.707 2.523 -7.831 1.00 0.00 H new ATOM 1272 N ASN A 104 83.749 -0.286 -8.509 1.00 0.00 N ATOM 1273 CA ASN A 104 82.926 -1.480 -8.656 1.00 0.00 C ATOM 1274 C ASN A 104 81.628 -1.251 -7.872 1.00 0.00 C ATOM 1275 O ASN A 104 81.449 -0.211 -7.264 1.00 0.00 O ATOM 1276 CB ASN A 104 83.732 -2.683 -8.140 1.00 0.00 C ATOM 1277 CG ASN A 104 83.227 -3.992 -8.773 1.00 0.00 C ATOM 1278 OD1 ASN A 104 82.934 -4.053 -9.960 1.00 0.00 O ATOM 1279 ND2 ASN A 104 83.123 -5.023 -7.919 1.00 0.00 N ATOM 0 H ASN A 104 83.947 -0.025 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 104 82.660 -1.683 -9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 104 84.788 -2.545 -8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 104 83.649 -2.743 -7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 104 82.782 -5.926 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 104 83.385 -4.903 -6.941 1.00 0.00 H new ATOM 1286 N TYR A 105 80.736 -2.263 -7.928 1.00 0.00 N ATOM 1287 CA TYR A 105 79.452 -2.170 -7.237 1.00 0.00 C ATOM 1288 C TYR A 105 79.538 -2.756 -5.818 1.00 0.00 C ATOM 1289 O TYR A 105 78.764 -3.630 -5.462 1.00 0.00 O ATOM 1290 CB TYR A 105 78.412 -2.942 -8.059 1.00 0.00 C ATOM 1291 CG TYR A 105 78.178 -2.277 -9.385 1.00 0.00 C ATOM 1292 CD1 TYR A 105 77.428 -1.109 -9.452 1.00 0.00 C ATOM 1293 CD2 TYR A 105 78.713 -2.811 -10.551 1.00 0.00 C ATOM 1294 CE1 TYR A 105 77.212 -0.479 -10.670 1.00 0.00 C ATOM 1295 CE2 TYR A 105 78.500 -2.185 -11.771 1.00 0.00 C ATOM 1296 CZ TYR A 105 77.747 -1.021 -11.832 1.00 0.00 C ATOM 1297 OH TYR A 105 77.533 -0.414 -13.052 1.00 0.00 O ATOM 0 H TYR A 105 80.885 -3.134 -8.437 1.00 0.00 H new ATOM 0 HA TYR A 105 79.168 -1.122 -7.142 1.00 0.00 H new ATOM 0 HB2 TYR A 105 78.753 -3.965 -8.216 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.475 -2.999 -7.506 1.00 0.00 H new ATOM 0 HD1 TYR A 105 77.010 -0.688 -8.549 1.00 0.00 H new ATOM 0 HD2 TYR A 105 79.298 -3.718 -10.507 1.00 0.00 H new ATOM 0 HE1 TYR A 105 76.630 0.430 -10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 105 78.920 -2.604 -12.673 1.00 0.00 H new ATOM 0 HH TYR A 105 77.981 -0.928 -13.756 1.00 0.00 H new ATOM 1307 N ASP A 106 80.511 -2.235 -5.039 1.00 0.00 N ATOM 1308 CA ASP A 106 80.765 -2.734 -3.683 1.00 0.00 C ATOM 1309 C ASP A 106 80.493 -1.587 -2.701 1.00 0.00 C ATOM 1310 O ASP A 106 80.721 -0.435 -3.023 1.00 0.00 O ATOM 1311 CB ASP A 106 82.228 -3.185 -3.563 1.00 0.00 C ATOM 1312 CG ASP A 106 82.715 -4.051 -4.732 1.00 0.00 C ATOM 1313 OD1 ASP A 106 81.903 -4.737 -5.351 1.00 0.00 O ATOM 1314 OD2 ASP A 106 83.916 -4.025 -5.005 1.00 0.00 O ATOM 0 H ASP A 106 81.126 -1.475 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 106 80.120 -3.584 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 106 82.864 -2.303 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 106 82.350 -3.744 -2.635 1.00 0.00 H new ATOM 1319 N PHE A 107 79.948 -1.941 -1.520 1.00 0.00 N ATOM 1320 CA PHE A 107 79.403 -0.943 -0.606 1.00 0.00 C ATOM 1321 C PHE A 107 79.679 -1.413 0.829 1.00 0.00 C ATOM 1322 O PHE A 107 79.624 -2.589 1.132 1.00 0.00 O ATOM 1323 CB PHE A 107 77.887 -0.759 -0.857 1.00 0.00 C ATOM 1324 CG PHE A 107 77.606 -0.025 -2.136 1.00 0.00 C ATOM 1325 CD1 PHE A 107 77.676 -0.696 -3.353 1.00 0.00 C ATOM 1326 CD2 PHE A 107 77.299 1.332 -2.125 1.00 0.00 C ATOM 1327 CE1 PHE A 107 77.510 -0.023 -4.543 1.00 0.00 C ATOM 1328 CE2 PHE A 107 77.082 1.995 -3.322 1.00 0.00 C ATOM 1329 CZ PHE A 107 77.212 1.315 -4.523 1.00 0.00 C ATOM 0 H PHE A 107 79.878 -2.903 -1.188 1.00 0.00 H new ATOM 0 HA PHE A 107 79.877 0.025 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 107 77.405 -1.736 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 107 77.447 -0.213 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 107 77.863 -1.760 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 107 77.230 1.866 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 107 77.614 -0.544 -5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 107 76.812 3.041 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 107 77.077 1.846 -5.454 1.00 0.00 H new ATOM 1339 N VAL A 108 79.999 -0.435 1.692 1.00 0.00 N ATOM 1340 CA VAL A 108 80.116 -0.675 3.117 1.00 0.00 C ATOM 1341 C VAL A 108 78.884 -0.052 3.778 1.00 0.00 C ATOM 1342 O VAL A 108 78.445 1.033 3.437 1.00 0.00 O ATOM 1343 CB VAL A 108 81.447 -0.077 3.605 1.00 0.00 C ATOM 1344 CG1 VAL A 108 81.552 0.021 5.137 1.00 0.00 C ATOM 1345 CG2 VAL A 108 82.631 -0.816 2.971 1.00 0.00 C ATOM 0 H VAL A 108 80.180 0.530 1.414 1.00 0.00 H new ATOM 0 HA VAL A 108 80.139 -1.734 3.375 1.00 0.00 H new ATOM 0 HB VAL A 108 81.478 0.958 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 108 82.516 0.451 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 108 80.751 0.656 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 108 81.463 -0.974 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 108 83.565 -0.380 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 108 82.593 -1.869 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 108 82.578 -0.724 1.886 1.00 0.00 H new ATOM 1355 N LEU A 109 78.355 -0.833 4.728 1.00 0.00 N ATOM 1356 CA LEU A 109 77.207 -0.449 5.519 1.00 0.00 C ATOM 1357 C LEU A 109 77.687 -0.273 6.959 1.00 0.00 C ATOM 1358 O LEU A 109 77.996 -1.233 7.652 1.00 0.00 O ATOM 1359 CB LEU A 109 76.207 -1.596 5.466 1.00 0.00 C ATOM 1360 CG LEU A 109 74.885 -1.291 6.186 1.00 0.00 C ATOM 1361 CD1 LEU A 109 74.093 -0.278 5.371 1.00 0.00 C ATOM 1362 CD2 LEU A 109 74.034 -2.544 6.438 1.00 0.00 C ATOM 0 H LEU A 109 78.724 -1.755 4.962 1.00 0.00 H new ATOM 0 HA LEU A 109 76.748 0.469 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 109 75.997 -1.836 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 109 76.659 -2.482 5.912 1.00 0.00 H new ATOM 0 HG LEU A 109 75.134 -0.884 7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 109 73.153 -0.058 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 109 74.673 0.639 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 109 73.885 -0.689 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 109 73.114 -2.262 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 109 73.790 -3.016 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 109 74.593 -3.245 7.058 1.00 0.00 H new ATOM 1374 N LYS A 110 77.722 1.006 7.356 1.00 0.00 N ATOM 1375 CA LYS A 110 78.202 1.358 8.680 1.00 0.00 C ATOM 1376 C LYS A 110 77.037 1.884 9.469 1.00 0.00 C ATOM 1377 O LYS A 110 76.096 2.385 8.894 1.00 0.00 O ATOM 1378 CB LYS A 110 79.270 2.441 8.528 1.00 0.00 C ATOM 1379 CG LYS A 110 80.526 2.162 9.347 1.00 0.00 C ATOM 1380 CD LYS A 110 81.725 1.805 8.456 1.00 0.00 C ATOM 1381 CE LYS A 110 83.015 2.404 8.987 1.00 0.00 C ATOM 1382 NZ LYS A 110 84.005 2.413 7.924 1.00 0.00 N ATOM 0 H LYS A 110 77.427 1.796 6.783 1.00 0.00 H new ATOM 0 HA LYS A 110 78.632 0.497 9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 110 79.542 2.530 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 110 78.851 3.401 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 110 80.769 3.038 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 110 80.333 1.343 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 110 81.824 0.721 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 110 81.546 2.165 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 110 82.839 3.418 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 110 83.378 1.824 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 84.893 2.822 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 84.177 1.439 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 83.655 2.984 7.128 1.00 0.00 H new ATOM 1396 N LYS A 111 77.147 1.755 10.801 1.00 0.00 N ATOM 1397 CA LYS A 111 76.126 2.334 11.656 1.00 0.00 C ATOM 1398 C LYS A 111 76.361 3.843 11.708 1.00 0.00 C ATOM 1399 O LYS A 111 77.392 4.323 11.251 1.00 0.00 O ATOM 1400 CB LYS A 111 76.226 1.639 13.017 1.00 0.00 C ATOM 1401 CG LYS A 111 74.859 1.430 13.669 1.00 0.00 C ATOM 1402 CD LYS A 111 74.900 0.308 14.716 1.00 0.00 C ATOM 1403 CE LYS A 111 74.844 0.818 16.155 1.00 0.00 C ATOM 1404 NZ LYS A 111 73.721 0.206 16.845 1.00 0.00 N ATOM 0 H LYS A 111 77.905 1.273 11.285 1.00 0.00 H new ATOM 0 HA LYS A 111 75.111 2.185 11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.717 0.674 12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 111 76.854 2.234 13.680 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.534 2.357 14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 111 74.123 1.187 12.903 1.00 0.00 H new ATOM 0 HD2 LYS A 111 74.063 -0.369 14.545 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.812 -0.273 14.580 1.00 0.00 H new ATOM 0 HE2 LYS A 111 75.774 0.582 16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 111 74.742 1.903 16.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 72.989 0.923 17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 73.325 -0.555 16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 74.044 -0.189 17.751 1.00 0.00 H new ATOM 1418 N ARG A 112 75.358 4.550 12.272 1.00 0.00 N ATOM 1419 CA ARG A 112 75.482 5.980 12.497 1.00 0.00 C ATOM 1420 C ARG A 112 76.327 6.217 13.754 1.00 0.00 C ATOM 1421 O ARG A 112 75.863 6.776 14.743 1.00 0.00 O ATOM 1422 CB ARG A 112 74.100 6.598 12.723 1.00 0.00 C ATOM 1423 CG ARG A 112 74.115 8.120 12.543 1.00 0.00 C ATOM 1424 CD ARG A 112 73.052 8.787 13.400 1.00 0.00 C ATOM 1425 NE ARG A 112 73.314 10.213 13.519 1.00 0.00 N ATOM 1426 CZ ARG A 112 72.396 11.121 13.142 1.00 0.00 C ATOM 1427 NH1 ARG A 112 71.644 10.927 12.062 1.00 0.00 N ATOM 1428 NH2 ARG A 112 72.241 12.214 13.880 1.00 0.00 N ATOM 0 H ARG A 112 74.470 4.147 12.572 1.00 0.00 H new ATOM 0 HA ARG A 112 75.951 6.437 11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 112 73.387 6.158 12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 112 73.754 6.355 13.728 1.00 0.00 H new ATOM 0 HG2 ARG A 112 75.097 8.510 12.809 1.00 0.00 H new ATOM 0 HG3 ARG A 112 73.947 8.366 11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 112 72.068 8.628 12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 112 73.035 8.331 14.390 1.00 0.00 H new ATOM 0 HE ARG A 112 74.208 10.529 13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 112 71.759 10.080 11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 112 70.952 11.626 11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 112 72.812 12.352 14.714 1.00 0.00 H new ATOM 0 HH22 ARG A 112 71.551 12.916 13.613 1.00 0.00 H new ATOM 1442 N THR A 113 77.601 5.774 13.635 1.00 0.00 N ATOM 1443 CA THR A 113 78.627 5.916 14.652 1.00 0.00 C ATOM 1444 C THR A 113 78.685 7.390 15.060 1.00 0.00 C ATOM 1445 O THR A 113 78.013 8.210 14.456 1.00 0.00 O ATOM 1446 CB THR A 113 79.981 5.416 14.080 1.00 0.00 C ATOM 1447 OG1 THR A 113 79.820 4.553 12.960 1.00 0.00 O ATOM 1448 CG2 THR A 113 80.774 4.615 15.119 1.00 0.00 C ATOM 0 H THR A 113 77.936 5.297 12.798 1.00 0.00 H new ATOM 0 HA THR A 113 78.403 5.318 15.535 1.00 0.00 H new ATOM 0 HB THR A 113 80.508 6.325 13.788 1.00 0.00 H new ATOM 0 HG1 THR A 113 80.700 4.268 12.637 1.00 0.00 H new ATOM 0 HG21 THR A 113 81.715 4.282 14.681 1.00 0.00 H new ATOM 0 HG22 THR A 113 80.979 5.245 15.985 1.00 0.00 H new ATOM 0 HG23 THR A 113 80.192 3.748 15.431 1.00 0.00 H new ATOM 1456 N PHE A 114 79.492 7.674 16.097 1.00 0.00 N ATOM 1457 CA PHE A 114 79.657 9.036 16.613 1.00 0.00 C ATOM 1458 C PHE A 114 80.244 10.014 15.561 1.00 0.00 C ATOM 1459 O PHE A 114 81.371 10.468 15.679 1.00 0.00 O ATOM 1460 CB PHE A 114 80.567 8.981 17.863 1.00 0.00 C ATOM 1461 CG PHE A 114 81.704 7.991 17.717 1.00 0.00 C ATOM 1462 CD1 PHE A 114 82.871 8.313 17.027 1.00 0.00 C ATOM 1463 CD2 PHE A 114 81.586 6.711 18.254 1.00 0.00 C ATOM 1464 CE1 PHE A 114 83.874 7.376 16.840 1.00 0.00 C ATOM 1465 CE2 PHE A 114 82.597 5.774 18.086 1.00 0.00 C ATOM 1466 CZ PHE A 114 83.739 6.103 17.371 1.00 0.00 C ATOM 0 H PHE A 114 80.041 6.972 16.593 1.00 0.00 H new ATOM 0 HA PHE A 114 78.671 9.422 16.870 1.00 0.00 H new ATOM 0 HB2 PHE A 114 80.977 9.973 18.052 1.00 0.00 H new ATOM 0 HB3 PHE A 114 79.967 8.713 18.732 1.00 0.00 H new ATOM 0 HD1 PHE A 114 82.996 9.310 16.631 1.00 0.00 H new ATOM 0 HD2 PHE A 114 80.698 6.444 18.807 1.00 0.00 H new ATOM 0 HE1 PHE A 114 84.760 7.637 16.281 1.00 0.00 H new ATOM 0 HE2 PHE A 114 82.494 4.787 18.513 1.00 0.00 H new ATOM 0 HZ PHE A 114 84.520 5.370 17.229 1.00 0.00 H new ATOM 1476 N THR A 115 79.426 10.334 14.530 1.00 0.00 N ATOM 1477 CA THR A 115 79.873 11.146 13.416 1.00 0.00 C ATOM 1478 C THR A 115 81.071 10.495 12.719 1.00 0.00 C ATOM 1479 O THR A 115 81.506 9.435 13.132 1.00 0.00 O ATOM 1480 CB THR A 115 80.101 12.577 13.929 1.00 0.00 C ATOM 1481 OG1 THR A 115 78.801 13.149 14.019 1.00 0.00 O ATOM 1482 CG2 THR A 115 81.008 13.414 13.027 1.00 0.00 C ATOM 1483 OXT THR A 115 81.556 11.091 11.743 1.00 0.00 O ATOM 0 H THR A 115 78.454 10.032 14.464 1.00 0.00 H new ATOM 0 HA THR A 115 79.119 11.212 12.632 1.00 0.00 H new ATOM 0 HB THR A 115 80.622 12.556 14.886 1.00 0.00 H new ATOM 0 HG1 THR A 115 78.871 14.071 14.345 1.00 0.00 H new ATOM 0 HG21 THR A 115 81.124 14.411 13.452 1.00 0.00 H new ATOM 0 HG22 THR A 115 81.985 12.937 12.950 1.00 0.00 H new ATOM 0 HG23 THR A 115 80.563 13.492 12.035 1.00 0.00 H new TER 1491 THR A 115