USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1096 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 90 LYS NZ :NH3+ 180:sc= 2.34 (180deg=1.06) USER MOD Set 1.2: A 108 GLN : amide:sc= 1.06 K(o=3.4,f=-7.6!) USER MOD Set 2.1: A 89 HIS : +bothHN:sc= -4.76! C(o=-4.9!,f=-11!) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.106 K(o=-4.9,f=-9.3!) USER MOD Set 3.1: A 40 THR OG1 : rot 66:sc= 0.785 USER MOD Set 3.2: A 79 THR OG1 : rot 180:sc= 0.00651 USER MOD Set 4.1: A 32 SER OG : rot 99:sc= 1.89 USER MOD Set 4.2: A 37 HIS : no HE2:sc= -3! C(o=-1.1!,f=-5.8!) USER MOD Set 5.1: A 13 ASN : amide:sc= -4.89! C(o=-5.6!,f=-13!) USER MOD Set 5.2: A 15 TYR OH : rot 21:sc= 1.91 USER MOD Set 5.3: A 39 MET CE :methyl 160:sc= -3.95! (180deg=-4.52!) USER MOD Set 5.4: A 42 SER OG : rot 76:sc= 0.0398 USER MOD Set 5.5: A 127 LYS NZ :NH3+ -121:sc= 1.32 (180deg=-0.349) USER MOD Single : A 1 MET CE :methyl -138:sc= -0.285 (180deg=-1.51) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.0664 F(o=-1.1,f=0.066) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.755 K(o=0.75,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 1.07 (180deg=0.793) USER MOD Single : A 23 THR OG1 : rot -78:sc= 0.206 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.0979 K(o=0.098,f=-9.7!) USER MOD Single : A 34 MET CE :methyl -141:sc= -0.876 (180deg=-2.25!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 47 GLN : amide:sc= -1.71 K(o=-1.7,f=-4!) USER MOD Single : A 48 ASN : amide:sc= 1.16 K(o=1.2,f=-0.034) USER MOD Single : A 52 GLN :FLIP amide:sc=-0.00635 F(o=-1.3,f=-0.0064) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.264 USER MOD Single : A 68 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.33) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 1.83 (180deg=1.42) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 1.05 K(o=1,f=-4.7!) USER MOD Single : A 82 ASN : amide:sc= -0.786 K(o=-0.79,f=-2!) USER MOD Single : A 91 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.26) USER MOD Single : A 95 ASN : amide:sc= -0.561 K(o=-0.56,f=-1.7) USER MOD Single : A 96 SER OG : rot 48:sc= 0.0078 USER MOD Single : A 97 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.33) USER MOD Single : A 100 ASN : amide:sc= 0.268 K(o=0.27,f=-6.1!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.328 USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= 1.14 (180deg=1.11) USER MOD Single : A 114 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.64) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.205 F(o=-1.5!,f=-0.21) USER MOD Single : A 123 SER OG : rot 70:sc= -0.312 USER MOD Single : A 131 THR OG1 : rot 61:sc= 0.799 USER MOD Single : A 132 THR OG1 : rot -29:sc= -1.29! USER MOD Single : A 134 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 137 ASN : amide:sc= 0.0699! X(o=0.07!,f=-0.062) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= -0.0636 K(o=-0.064,f=-0.66) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.286 63.330 -16.592 1.00 0.00 N ATOM 2 CA MET A 1 14.613 63.128 -15.968 1.00 0.00 C ATOM 3 C MET A 1 14.456 62.387 -14.650 1.00 0.00 C ATOM 4 O MET A 1 13.733 62.839 -13.768 1.00 0.00 O ATOM 5 CB MET A 1 15.302 64.477 -15.743 1.00 0.00 C ATOM 6 CG MET A 1 16.706 64.364 -15.171 1.00 0.00 C ATOM 7 SD MET A 1 17.516 65.965 -15.025 1.00 0.00 S ATOM 8 CE MET A 1 19.100 65.485 -14.339 1.00 0.00 C ATOM 0 H1 MET A 1 13.400 63.837 -17.493 1.00 0.00 H new ATOM 0 H2 MET A 1 12.841 62.407 -16.768 1.00 0.00 H new ATOM 0 H3 MET A 1 12.684 63.888 -15.954 1.00 0.00 H new ATOM 0 HA MET A 1 15.233 62.530 -16.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.349 65.013 -16.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.692 65.077 -15.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.659 63.892 -14.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.304 63.714 -15.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.387 66.189 -13.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.024 64.484 -13.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.854 65.489 -15.126 1.00 0.00 H new ATOM 20 N VAL A 2 15.113 61.240 -14.532 1.00 0.00 N ATOM 21 CA VAL A 2 15.006 60.416 -13.337 1.00 0.00 C ATOM 22 C VAL A 2 16.374 60.179 -12.701 1.00 0.00 C ATOM 23 O VAL A 2 17.311 59.720 -13.361 1.00 0.00 O ATOM 24 CB VAL A 2 14.351 59.049 -13.647 1.00 0.00 C ATOM 25 CG1 VAL A 2 14.196 58.221 -12.380 1.00 0.00 C ATOM 26 CG2 VAL A 2 13.003 59.237 -14.330 1.00 0.00 C ATOM 0 H VAL A 2 15.727 60.859 -15.252 1.00 0.00 H new ATOM 0 HA VAL A 2 14.374 60.963 -12.637 1.00 0.00 H new ATOM 0 HB VAL A 2 15.008 58.509 -14.329 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.733 57.265 -12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.177 58.047 -11.937 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.567 58.757 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.562 58.262 -14.538 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.340 59.804 -13.676 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.141 59.780 -15.265 1.00 0.00 H new ATOM 36 N CYS A 3 16.472 60.517 -11.426 1.00 0.00 N ATOM 37 CA CYS A 3 17.645 60.221 -10.614 1.00 0.00 C ATOM 38 C CYS A 3 17.179 59.613 -9.293 1.00 0.00 C ATOM 39 O CYS A 3 15.980 59.642 -9.003 1.00 0.00 O ATOM 40 CB CYS A 3 18.469 61.493 -10.354 1.00 0.00 C ATOM 41 SG CYS A 3 19.533 62.003 -11.740 1.00 0.00 S ATOM 0 H CYS A 3 15.735 61.008 -10.920 1.00 0.00 H new ATOM 0 HA CYS A 3 18.285 59.517 -11.145 1.00 0.00 H new ATOM 0 HB2 CYS A 3 17.787 62.310 -10.117 1.00 0.00 H new ATOM 0 HB3 CYS A 3 19.092 61.333 -9.474 1.00 0.00 H new ATOM 46 N PRO A 4 18.089 59.029 -8.489 1.00 0.00 N ATOM 47 CA PRO A 4 17.737 58.492 -7.169 1.00 0.00 C ATOM 48 C PRO A 4 17.099 59.554 -6.269 1.00 0.00 C ATOM 49 O PRO A 4 17.212 60.753 -6.533 1.00 0.00 O ATOM 50 CB PRO A 4 19.076 58.017 -6.599 1.00 0.00 C ATOM 51 CG PRO A 4 19.945 57.801 -7.789 1.00 0.00 C ATOM 52 CD PRO A 4 19.515 58.822 -8.804 1.00 0.00 C ATOM 0 HA PRO A 4 16.995 57.696 -7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 4 19.505 58.760 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.957 57.098 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 4 20.997 57.925 -7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.829 56.790 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 4 20.086 59.746 -8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 4 19.654 58.461 -9.823 1.00 0.00 H new ATOM 60 N ILE A 5 16.441 59.105 -5.204 1.00 0.00 N ATOM 61 CA ILE A 5 15.630 59.984 -4.365 1.00 0.00 C ATOM 62 C ILE A 5 16.428 61.167 -3.797 1.00 0.00 C ATOM 63 O ILE A 5 17.457 60.994 -3.145 1.00 0.00 O ATOM 64 CB ILE A 5 14.940 59.198 -3.219 1.00 0.00 C ATOM 65 CG1 ILE A 5 14.042 60.120 -2.386 1.00 0.00 C ATOM 66 CG2 ILE A 5 15.965 58.503 -2.332 1.00 0.00 C ATOM 67 CD1 ILE A 5 12.891 60.719 -3.171 1.00 0.00 C ATOM 0 H ILE A 5 16.454 58.132 -4.900 1.00 0.00 H new ATOM 0 HA ILE A 5 14.861 60.397 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 5 14.314 58.431 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.642 59.558 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.648 60.927 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.451 57.961 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 5 16.549 57.804 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 5 16.629 59.247 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.299 61.360 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.284 61.309 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.262 59.919 -3.562 1.00 0.00 H new ATOM 79 N ASP A 6 15.937 62.363 -4.118 1.00 0.00 N ATOM 80 CA ASP A 6 16.472 63.645 -3.632 1.00 0.00 C ATOM 81 C ASP A 6 17.878 63.939 -4.158 1.00 0.00 C ATOM 82 O ASP A 6 18.501 64.927 -3.769 1.00 0.00 O ATOM 83 CB ASP A 6 16.440 63.746 -2.102 1.00 0.00 C ATOM 84 CG ASP A 6 16.583 65.190 -1.641 1.00 0.00 C ATOM 85 OD1 ASP A 6 15.808 66.046 -2.125 1.00 0.00 O ATOM 86 OD2 ASP A 6 17.487 65.487 -0.831 1.00 0.00 O ATOM 0 H ASP A 6 15.136 62.476 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 6 15.806 64.408 -4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 6 15.503 63.333 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 6 17.245 63.145 -1.679 1.00 0.00 H new ATOM 91 N TRP A 7 18.380 63.105 -5.056 1.00 0.00 N ATOM 92 CA TRP A 7 19.608 63.441 -5.752 1.00 0.00 C ATOM 93 C TRP A 7 19.360 64.694 -6.576 1.00 0.00 C ATOM 94 O TRP A 7 18.453 64.736 -7.410 1.00 0.00 O ATOM 95 CB TRP A 7 20.098 62.282 -6.622 1.00 0.00 C ATOM 96 CG TRP A 7 20.842 61.234 -5.846 1.00 0.00 C ATOM 97 CD1 TRP A 7 20.362 60.470 -4.821 1.00 0.00 C ATOM 98 CD2 TRP A 7 22.205 60.836 -6.036 1.00 0.00 C ATOM 99 NE1 TRP A 7 21.340 59.614 -4.370 1.00 0.00 N ATOM 100 CE2 TRP A 7 22.482 59.821 -5.100 1.00 0.00 C ATOM 101 CE3 TRP A 7 23.216 61.237 -6.912 1.00 0.00 C ATOM 102 CZ2 TRP A 7 23.732 59.203 -5.017 1.00 0.00 C ATOM 103 CZ3 TRP A 7 24.452 60.627 -6.826 1.00 0.00 C ATOM 104 CH2 TRP A 7 24.699 59.620 -5.888 1.00 0.00 C ATOM 0 H TRP A 7 17.965 62.210 -5.315 1.00 0.00 H new ATOM 0 HA TRP A 7 20.400 63.630 -5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 7 19.243 61.820 -7.116 1.00 0.00 H new ATOM 0 HB3 TRP A 7 20.746 62.673 -7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 7 19.360 60.529 -4.422 1.00 0.00 H new ATOM 0 HE1 TRP A 7 21.233 58.936 -3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 7 23.034 62.010 -7.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 23.927 58.426 -4.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 25.242 60.933 -7.495 1.00 0.00 H new ATOM 0 HH2 TRP A 7 25.676 59.161 -5.851 1.00 0.00 H new ATOM 115 N ARG A 8 20.162 65.714 -6.325 1.00 0.00 N ATOM 116 CA ARG A 8 19.861 67.058 -6.787 1.00 0.00 C ATOM 117 C ARG A 8 20.046 67.199 -8.290 1.00 0.00 C ATOM 118 O ARG A 8 21.158 67.391 -8.772 1.00 0.00 O ATOM 119 CB ARG A 8 20.745 68.063 -6.059 1.00 0.00 C ATOM 120 CG ARG A 8 20.135 69.439 -6.004 1.00 0.00 C ATOM 121 CD ARG A 8 18.797 69.399 -5.292 1.00 0.00 C ATOM 122 NE ARG A 8 18.936 69.053 -3.871 1.00 0.00 N ATOM 123 CZ ARG A 8 18.165 68.163 -3.229 1.00 0.00 C ATOM 124 NH1 ARG A 8 17.135 67.598 -3.843 1.00 0.00 N ATOM 125 NH2 ARG A 8 18.411 67.851 -1.961 1.00 0.00 N ATOM 0 H ARG A 8 21.033 65.636 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 8 18.813 67.257 -6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.929 67.711 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.713 68.118 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.809 70.121 -5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.004 69.826 -7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.310 70.370 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 8 18.149 68.671 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 8 19.668 69.521 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.924 67.839 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.554 66.922 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.190 68.289 -1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.821 67.173 -1.479 1.00 0.00 H new ATOM 139 N ALA A 9 18.944 67.093 -9.017 1.00 0.00 N ATOM 140 CA ALA A 9 18.957 67.227 -10.463 1.00 0.00 C ATOM 141 C ALA A 9 19.079 68.688 -10.876 1.00 0.00 C ATOM 142 O ALA A 9 18.254 69.524 -10.501 1.00 0.00 O ATOM 143 CB ALA A 9 17.696 66.612 -11.054 1.00 0.00 C ATOM 0 H ALA A 9 18.021 66.913 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 9 19.827 66.695 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.714 66.717 -12.139 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.650 65.555 -10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.820 67.123 -10.655 1.00 0.00 H new ATOM 149 N PHE A 10 20.119 68.989 -11.634 1.00 0.00 N ATOM 150 CA PHE A 10 20.338 70.330 -12.146 1.00 0.00 C ATOM 151 C PHE A 10 20.657 70.270 -13.639 1.00 0.00 C ATOM 152 O PHE A 10 21.765 69.913 -14.035 1.00 0.00 O ATOM 153 CB PHE A 10 21.476 71.007 -11.370 1.00 0.00 C ATOM 154 CG PHE A 10 21.764 72.421 -11.794 1.00 0.00 C ATOM 155 CD1 PHE A 10 20.902 73.452 -11.456 1.00 0.00 C ATOM 156 CD2 PHE A 10 22.901 72.717 -12.529 1.00 0.00 C ATOM 157 CE1 PHE A 10 21.169 74.752 -11.843 1.00 0.00 C ATOM 158 CE2 PHE A 10 23.174 74.014 -12.918 1.00 0.00 C ATOM 159 CZ PHE A 10 22.306 75.033 -12.575 1.00 0.00 C ATOM 0 H PHE A 10 20.832 68.314 -11.911 1.00 0.00 H new ATOM 0 HA PHE A 10 19.432 70.921 -12.011 1.00 0.00 H new ATOM 0 HB2 PHE A 10 21.228 71.003 -10.309 1.00 0.00 H new ATOM 0 HB3 PHE A 10 22.383 70.414 -11.488 1.00 0.00 H new ATOM 0 HD1 PHE A 10 20.012 73.237 -10.884 1.00 0.00 H new ATOM 0 HD2 PHE A 10 23.582 71.924 -12.801 1.00 0.00 H new ATOM 0 HE1 PHE A 10 20.489 75.547 -11.573 1.00 0.00 H new ATOM 0 HE2 PHE A 10 24.064 74.231 -13.489 1.00 0.00 H new ATOM 0 HZ PHE A 10 22.516 76.048 -12.879 1.00 0.00 H new ATOM 169 N GLN A 11 19.657 70.592 -14.459 1.00 0.00 N ATOM 170 CA GLN A 11 19.793 70.602 -15.920 1.00 0.00 C ATOM 171 C GLN A 11 19.991 69.196 -16.492 1.00 0.00 C ATOM 172 O GLN A 11 19.096 68.651 -17.134 1.00 0.00 O ATOM 173 CB GLN A 11 20.938 71.520 -16.369 1.00 0.00 C ATOM 174 CG GLN A 11 20.708 72.988 -16.044 1.00 0.00 C ATOM 175 CD GLN A 11 21.842 73.879 -16.512 1.00 0.00 C ATOM 176 OE1 GLN A 11 22.506 73.486 -17.586 1.00 0.00 O flip ATOM 177 NE2 GLN A 11 22.118 74.916 -15.914 1.00 0.00 N flip ATOM 0 H GLN A 11 18.727 70.854 -14.131 1.00 0.00 H new ATOM 0 HA GLN A 11 18.856 70.994 -16.315 1.00 0.00 H new ATOM 0 HB2 GLN A 11 21.862 71.192 -15.893 1.00 0.00 H new ATOM 0 HB3 GLN A 11 21.077 71.413 -17.445 1.00 0.00 H new ATOM 0 HG2 GLN A 11 19.778 73.317 -16.509 1.00 0.00 H new ATOM 0 HG3 GLN A 11 20.584 73.102 -14.967 1.00 0.00 H new ATOM 0 HE21 GLN A 11 21.583 75.187 -15.089 1.00 0.00 H new ATOM 0 HE22 GLN A 11 22.882 75.506 -16.243 1.00 0.00 H new ATOM 186 N SER A 12 21.163 68.612 -16.269 1.00 0.00 N ATOM 187 CA SER A 12 21.482 67.308 -16.836 1.00 0.00 C ATOM 188 C SER A 12 22.364 66.489 -15.894 1.00 0.00 C ATOM 189 O SER A 12 22.936 65.473 -16.291 1.00 0.00 O ATOM 190 CB SER A 12 22.184 67.487 -18.185 1.00 0.00 C ATOM 191 OG SER A 12 21.411 68.296 -19.056 1.00 0.00 O ATOM 0 H SER A 12 21.906 69.020 -15.701 1.00 0.00 H new ATOM 0 HA SER A 12 20.548 66.764 -16.978 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.162 67.942 -18.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.354 66.513 -18.643 1.00 0.00 H new ATOM 0 HG SER A 12 21.880 68.398 -19.910 1.00 0.00 H new ATOM 197 N ASN A 13 22.471 66.928 -14.649 1.00 0.00 N ATOM 198 CA ASN A 13 23.260 66.211 -13.657 1.00 0.00 C ATOM 199 C ASN A 13 22.471 66.049 -12.367 1.00 0.00 C ATOM 200 O ASN A 13 21.414 66.653 -12.205 1.00 0.00 O ATOM 201 CB ASN A 13 24.588 66.936 -13.386 1.00 0.00 C ATOM 202 CG ASN A 13 24.413 68.391 -12.995 1.00 0.00 C ATOM 203 OD1 ASN A 13 23.475 68.755 -12.297 1.00 0.00 O ATOM 204 ND2 ASN A 13 25.318 69.238 -13.461 1.00 0.00 N ATOM 0 H ASN A 13 22.023 67.776 -14.301 1.00 0.00 H new ATOM 0 HA ASN A 13 23.487 65.221 -14.053 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.121 66.416 -12.590 1.00 0.00 H new ATOM 0 HB3 ASN A 13 25.212 66.880 -14.278 1.00 0.00 H new ATOM 0 HD21 ASN A 13 25.248 70.232 -13.241 1.00 0.00 H new ATOM 0 HD22 ASN A 13 26.086 68.897 -14.040 1.00 0.00 H new ATOM 211 N CYS A 14 22.982 65.230 -11.464 1.00 0.00 N ATOM 212 CA CYS A 14 22.337 65.012 -10.176 1.00 0.00 C ATOM 213 C CYS A 14 23.389 64.939 -9.070 1.00 0.00 C ATOM 214 O CYS A 14 24.421 64.286 -9.220 1.00 0.00 O ATOM 215 CB CYS A 14 21.462 63.749 -10.217 1.00 0.00 C ATOM 216 SG CYS A 14 19.996 63.912 -11.280 1.00 0.00 S ATOM 0 H CYS A 14 23.845 64.702 -11.598 1.00 0.00 H new ATOM 0 HA CYS A 14 21.680 65.854 -9.957 1.00 0.00 H new ATOM 0 HB2 CYS A 14 22.064 62.911 -10.569 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.141 63.507 -9.204 1.00 0.00 H new ATOM 221 N TYR A 15 23.138 65.642 -7.973 1.00 0.00 N ATOM 222 CA TYR A 15 24.139 65.820 -6.928 1.00 0.00 C ATOM 223 C TYR A 15 23.752 65.172 -5.617 1.00 0.00 C ATOM 224 O TYR A 15 22.587 65.182 -5.221 1.00 0.00 O ATOM 225 CB TYR A 15 24.385 67.311 -6.694 1.00 0.00 C ATOM 226 CG TYR A 15 25.203 67.930 -7.786 1.00 0.00 C ATOM 227 CD1 TYR A 15 24.640 68.226 -9.017 1.00 0.00 C ATOM 228 CD2 TYR A 15 26.553 68.166 -7.601 1.00 0.00 C ATOM 229 CE1 TYR A 15 25.411 68.737 -10.041 1.00 0.00 C ATOM 230 CE2 TYR A 15 27.324 68.692 -8.611 1.00 0.00 C ATOM 231 CZ TYR A 15 26.752 68.970 -9.828 1.00 0.00 C ATOM 232 OH TYR A 15 27.539 69.451 -10.842 1.00 0.00 O ATOM 0 H TYR A 15 22.247 66.100 -7.783 1.00 0.00 H new ATOM 0 HA TYR A 15 25.046 65.327 -7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 15 23.428 67.828 -6.622 1.00 0.00 H new ATOM 0 HB3 TYR A 15 24.894 67.448 -5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 15 23.586 68.055 -9.177 1.00 0.00 H new ATOM 0 HD2 TYR A 15 27.008 67.934 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 15 24.967 68.953 -11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 15 28.374 68.885 -8.448 1.00 0.00 H new ATOM 0 HH TYR A 15 26.975 69.883 -11.517 1.00 0.00 H new ATOM 242 N PHE A 16 24.745 64.614 -4.947 1.00 0.00 N ATOM 243 CA PHE A 16 24.575 64.148 -3.588 1.00 0.00 C ATOM 244 C PHE A 16 25.672 64.751 -2.715 1.00 0.00 C ATOM 245 O PHE A 16 26.858 64.467 -2.908 1.00 0.00 O ATOM 246 CB PHE A 16 24.631 62.622 -3.538 1.00 0.00 C ATOM 247 CG PHE A 16 24.102 62.044 -2.257 1.00 0.00 C ATOM 248 CD1 PHE A 16 22.756 62.151 -1.940 1.00 0.00 C ATOM 249 CD2 PHE A 16 24.943 61.390 -1.374 1.00 0.00 C ATOM 250 CE1 PHE A 16 22.261 61.618 -0.767 1.00 0.00 C ATOM 251 CE2 PHE A 16 24.455 60.855 -0.197 1.00 0.00 C ATOM 252 CZ PHE A 16 23.112 60.969 0.106 1.00 0.00 C ATOM 0 H PHE A 16 25.681 64.474 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 16 23.600 64.462 -3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 16 24.059 62.218 -4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 16 25.663 62.300 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 16 22.087 62.658 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 16 25.993 61.297 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.211 61.708 -0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 16 25.122 60.349 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.728 60.551 1.025 1.00 0.00 H new ATOM 262 N PRO A 17 25.292 65.628 -1.777 1.00 0.00 N ATOM 263 CA PRO A 17 26.222 66.254 -0.853 1.00 0.00 C ATOM 264 C PRO A 17 26.398 65.441 0.424 1.00 0.00 C ATOM 265 O PRO A 17 25.427 65.150 1.124 1.00 0.00 O ATOM 266 CB PRO A 17 25.558 67.602 -0.558 1.00 0.00 C ATOM 267 CG PRO A 17 24.100 67.437 -0.884 1.00 0.00 C ATOM 268 CD PRO A 17 23.921 66.090 -1.548 1.00 0.00 C ATOM 0 HA PRO A 17 27.227 66.342 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 17 25.693 67.881 0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 17 26.003 68.394 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 17 23.497 67.499 0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 17 23.764 68.236 -1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 17 23.368 65.400 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 17 23.366 66.175 -2.482 1.00 0.00 H new ATOM 276 N LEU A 18 27.631 65.067 0.725 1.00 0.00 N ATOM 277 CA LEU A 18 27.906 64.307 1.931 1.00 0.00 C ATOM 278 C LEU A 18 28.725 65.146 2.903 1.00 0.00 C ATOM 279 O LEU A 18 29.646 65.861 2.502 1.00 0.00 O ATOM 280 CB LEU A 18 28.639 63.004 1.601 1.00 0.00 C ATOM 281 CG LEU A 18 27.918 62.076 0.620 1.00 0.00 C ATOM 282 CD1 LEU A 18 28.382 62.331 -0.807 1.00 0.00 C ATOM 283 CD2 LEU A 18 28.129 60.620 1.004 1.00 0.00 C ATOM 0 H LEU A 18 28.451 65.276 0.155 1.00 0.00 H new ATOM 0 HA LEU A 18 26.956 64.050 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 18 29.617 63.252 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 18 28.813 62.460 2.529 1.00 0.00 H new ATOM 0 HG LEU A 18 26.851 62.291 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 18 27.856 61.660 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.168 63.364 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 18 29.455 62.152 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 18 27.608 59.977 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 18 29.194 60.390 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.736 60.447 2.006 1.00 0.00 H new ATOM 295 N THR A 19 28.382 65.059 4.178 1.00 0.00 N ATOM 296 CA THR A 19 29.032 65.857 5.204 1.00 0.00 C ATOM 297 C THR A 19 29.983 65.017 6.045 1.00 0.00 C ATOM 298 O THR A 19 30.500 65.482 7.062 1.00 0.00 O ATOM 299 CB THR A 19 27.986 66.514 6.123 1.00 0.00 C ATOM 300 OG1 THR A 19 27.026 65.535 6.541 1.00 0.00 O ATOM 301 CG2 THR A 19 27.277 67.657 5.411 1.00 0.00 C ATOM 0 H THR A 19 27.652 64.439 4.528 1.00 0.00 H new ATOM 0 HA THR A 19 29.608 66.630 4.695 1.00 0.00 H new ATOM 0 HB THR A 19 28.500 66.918 6.995 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.363 65.956 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 19 26.543 68.104 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 19 28.007 68.411 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 19 26.772 67.275 4.524 1.00 0.00 H new ATOM 309 N ASP A 20 30.223 63.788 5.614 1.00 0.00 N ATOM 310 CA ASP A 20 31.091 62.883 6.349 1.00 0.00 C ATOM 311 C ASP A 20 32.548 63.168 6.010 1.00 0.00 C ATOM 312 O ASP A 20 32.896 63.397 4.851 1.00 0.00 O ATOM 313 CB ASP A 20 30.734 61.416 6.061 1.00 0.00 C ATOM 314 CG ASP A 20 30.947 61.008 4.614 1.00 0.00 C ATOM 315 OD1 ASP A 20 30.574 61.776 3.706 1.00 0.00 O ATOM 316 OD2 ASP A 20 31.483 59.904 4.379 1.00 0.00 O ATOM 0 H ASP A 20 29.829 63.395 4.759 1.00 0.00 H new ATOM 0 HA ASP A 20 30.943 63.051 7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 20 31.335 60.772 6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 20 29.691 61.246 6.327 1.00 0.00 H new ATOM 321 N ASN A 21 33.387 63.187 7.036 1.00 0.00 N ATOM 322 CA ASN A 21 34.797 63.521 6.876 1.00 0.00 C ATOM 323 C ASN A 21 35.555 62.408 6.165 1.00 0.00 C ATOM 324 O ASN A 21 35.910 61.394 6.769 1.00 0.00 O ATOM 325 CB ASN A 21 35.437 63.806 8.236 1.00 0.00 C ATOM 326 CG ASN A 21 34.917 65.082 8.871 1.00 0.00 C ATOM 327 OD1 ASN A 21 33.906 65.073 9.569 1.00 0.00 O ATOM 328 ND2 ASN A 21 35.614 66.187 8.647 1.00 0.00 N ATOM 0 H ASN A 21 33.114 62.973 7.995 1.00 0.00 H new ATOM 0 HA ASN A 21 34.856 64.418 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 21 35.246 62.968 8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 21 36.518 63.879 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 21 35.316 67.071 9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 21 36.448 66.154 8.061 1.00 0.00 H new ATOM 335 N LYS A 22 35.785 62.603 4.876 1.00 0.00 N ATOM 336 CA LYS A 22 36.537 61.657 4.067 1.00 0.00 C ATOM 337 C LYS A 22 37.657 62.387 3.349 1.00 0.00 C ATOM 338 O LYS A 22 37.533 63.575 3.046 1.00 0.00 O ATOM 339 CB LYS A 22 35.632 60.967 3.035 1.00 0.00 C ATOM 340 CG LYS A 22 34.425 60.257 3.636 1.00 0.00 C ATOM 341 CD LYS A 22 34.821 59.317 4.765 1.00 0.00 C ATOM 342 CE LYS A 22 35.755 58.221 4.290 1.00 0.00 C ATOM 343 NZ LYS A 22 36.556 57.660 5.410 1.00 0.00 N ATOM 0 H LYS A 22 35.456 63.420 4.362 1.00 0.00 H new ATOM 0 HA LYS A 22 36.949 60.893 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 22 35.282 61.712 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 22 36.224 60.242 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 33.719 60.997 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 22 33.912 59.693 2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 22 35.305 59.887 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.925 58.869 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 22 35.175 57.425 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 22 36.424 58.618 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 37.287 57.025 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 37.009 58.435 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 35.933 57.127 6.049 1.00 0.00 H new ATOM 357 N THR A 23 38.751 61.694 3.098 1.00 0.00 N ATOM 358 CA THR A 23 39.834 62.265 2.323 1.00 0.00 C ATOM 359 C THR A 23 39.450 62.290 0.847 1.00 0.00 C ATOM 360 O THR A 23 38.487 61.629 0.443 1.00 0.00 O ATOM 361 CB THR A 23 41.138 61.468 2.511 1.00 0.00 C ATOM 362 OG1 THR A 23 40.928 60.096 2.160 1.00 0.00 O ATOM 363 CG2 THR A 23 41.625 61.557 3.950 1.00 0.00 C ATOM 0 H THR A 23 38.913 60.739 3.418 1.00 0.00 H new ATOM 0 HA THR A 23 40.007 63.282 2.676 1.00 0.00 H new ATOM 0 HB THR A 23 41.898 61.899 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 23 40.462 59.639 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 23 42.547 60.986 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 23 41.811 62.600 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 23 40.866 61.149 4.617 1.00 0.00 H new ATOM 371 N TRP A 24 40.196 63.043 0.042 1.00 0.00 N ATOM 372 CA TRP A 24 39.905 63.149 -1.384 1.00 0.00 C ATOM 373 C TRP A 24 39.904 61.765 -2.028 1.00 0.00 C ATOM 374 O TRP A 24 39.063 61.457 -2.873 1.00 0.00 O ATOM 375 CB TRP A 24 40.932 64.050 -2.077 1.00 0.00 C ATOM 376 CG TRP A 24 40.542 64.433 -3.472 1.00 0.00 C ATOM 377 CD1 TRP A 24 39.784 65.506 -3.839 1.00 0.00 C ATOM 378 CD2 TRP A 24 40.885 63.750 -4.687 1.00 0.00 C ATOM 379 NE1 TRP A 24 39.630 65.532 -5.201 1.00 0.00 N ATOM 380 CE2 TRP A 24 40.296 64.467 -5.746 1.00 0.00 C ATOM 381 CE3 TRP A 24 41.630 62.605 -4.984 1.00 0.00 C ATOM 382 CZ2 TRP A 24 40.429 64.077 -7.075 1.00 0.00 C ATOM 383 CZ3 TRP A 24 41.760 62.219 -6.304 1.00 0.00 C ATOM 384 CH2 TRP A 24 41.162 62.954 -7.336 1.00 0.00 C ATOM 0 H TRP A 24 41.002 63.586 0.351 1.00 0.00 H new ATOM 0 HA TRP A 24 38.917 63.594 -1.501 1.00 0.00 H new ATOM 0 HB2 TRP A 24 41.069 64.955 -1.485 1.00 0.00 H new ATOM 0 HB3 TRP A 24 41.894 63.538 -2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 24 39.366 66.230 -3.156 1.00 0.00 H new ATOM 0 HE1 TRP A 24 39.104 66.232 -5.724 1.00 0.00 H new ATOM 0 HE3 TRP A 24 42.096 62.032 -4.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 39.969 64.642 -7.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 42.332 61.335 -6.545 1.00 0.00 H new ATOM 0 HH2 TRP A 24 41.283 62.626 -8.358 1.00 0.00 H new ATOM 395 N ALA A 25 40.837 60.925 -1.594 1.00 0.00 N ATOM 396 CA ALA A 25 40.962 59.577 -2.124 1.00 0.00 C ATOM 397 C ALA A 25 39.720 58.753 -1.812 1.00 0.00 C ATOM 398 O ALA A 25 39.128 58.149 -2.706 1.00 0.00 O ATOM 399 CB ALA A 25 42.203 58.900 -1.561 1.00 0.00 C ATOM 0 H ALA A 25 41.520 61.158 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 25 41.061 59.645 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.283 57.892 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 25 43.088 59.474 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 25 42.129 58.849 -0.475 1.00 0.00 H new ATOM 405 N GLU A 26 39.318 58.747 -0.546 1.00 0.00 N ATOM 406 CA GLU A 26 38.171 57.959 -0.105 1.00 0.00 C ATOM 407 C GLU A 26 36.885 58.457 -0.744 1.00 0.00 C ATOM 408 O GLU A 26 35.998 57.665 -1.052 1.00 0.00 O ATOM 409 CB GLU A 26 38.029 58.020 1.407 1.00 0.00 C ATOM 410 CG GLU A 26 39.228 57.488 2.164 1.00 0.00 C ATOM 411 CD GLU A 26 39.111 57.775 3.639 1.00 0.00 C ATOM 412 OE1 GLU A 26 39.281 58.951 4.022 1.00 0.00 O ATOM 413 OE2 GLU A 26 38.798 56.845 4.410 1.00 0.00 O ATOM 0 H GLU A 26 39.771 59.281 0.196 1.00 0.00 H new ATOM 0 HA GLU A 26 38.346 56.928 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 26 37.856 59.055 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 26 37.146 57.452 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 26 39.314 56.413 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 26 40.139 57.942 1.773 1.00 0.00 H new ATOM 420 N SER A 27 36.777 59.770 -0.910 1.00 0.00 N ATOM 421 CA SER A 27 35.647 60.359 -1.618 1.00 0.00 C ATOM 422 C SER A 27 35.462 59.679 -2.975 1.00 0.00 C ATOM 423 O SER A 27 34.359 59.260 -3.325 1.00 0.00 O ATOM 424 CB SER A 27 35.864 61.866 -1.803 1.00 0.00 C ATOM 425 OG SER A 27 34.757 62.472 -2.451 1.00 0.00 O ATOM 0 H SER A 27 37.458 60.446 -0.564 1.00 0.00 H new ATOM 0 HA SER A 27 34.745 60.207 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 27 36.020 62.335 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 27 36.768 62.036 -2.388 1.00 0.00 H new ATOM 0 HG SER A 27 34.924 63.432 -2.554 1.00 0.00 H new ATOM 431 N GLU A 28 36.561 59.539 -3.706 1.00 0.00 N ATOM 432 CA GLU A 28 36.541 58.922 -5.027 1.00 0.00 C ATOM 433 C GLU A 28 36.388 57.399 -4.925 1.00 0.00 C ATOM 434 O GLU A 28 36.008 56.736 -5.885 1.00 0.00 O ATOM 435 CB GLU A 28 37.823 59.278 -5.786 1.00 0.00 C ATOM 436 CG GLU A 28 37.779 58.924 -7.263 1.00 0.00 C ATOM 437 CD GLU A 28 36.698 59.679 -8.010 1.00 0.00 C ATOM 438 OE1 GLU A 28 35.550 59.186 -8.065 1.00 0.00 O ATOM 439 OE2 GLU A 28 36.995 60.760 -8.551 1.00 0.00 O ATOM 0 H GLU A 28 37.485 59.847 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 28 35.681 59.308 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 28 38.010 60.347 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 38.664 58.761 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 28 38.747 59.141 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 28 37.610 57.853 -7.371 1.00 0.00 H new ATOM 446 N ARG A 29 36.727 56.841 -3.766 1.00 0.00 N ATOM 447 CA ARG A 29 36.616 55.397 -3.554 1.00 0.00 C ATOM 448 C ARG A 29 35.195 55.000 -3.175 1.00 0.00 C ATOM 449 O ARG A 29 34.739 53.909 -3.507 1.00 0.00 O ATOM 450 CB ARG A 29 37.596 54.925 -2.474 1.00 0.00 C ATOM 451 CG ARG A 29 39.050 55.176 -2.832 1.00 0.00 C ATOM 452 CD ARG A 29 39.390 54.578 -4.184 1.00 0.00 C ATOM 453 NE ARG A 29 40.634 55.116 -4.728 1.00 0.00 N ATOM 454 CZ ARG A 29 40.688 55.879 -5.822 1.00 0.00 C ATOM 455 NH1 ARG A 29 39.570 56.198 -6.468 1.00 0.00 N ATOM 456 NH2 ARG A 29 41.858 56.324 -6.267 1.00 0.00 N ATOM 0 H ARG A 29 37.079 57.361 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 29 36.870 54.910 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 29 37.367 55.433 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 29 37.450 53.859 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 29 39.245 56.248 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 29 39.696 54.745 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 29 39.475 53.495 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 29 38.576 54.774 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 29 41.507 54.897 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 29 38.670 55.860 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 29 39.613 56.781 -7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 29 42.717 56.083 -5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 29 41.897 56.907 -7.103 1.00 0.00 H new ATOM 470 N ASN A 30 34.503 55.880 -2.468 1.00 0.00 N ATOM 471 CA ASN A 30 33.126 55.616 -2.078 1.00 0.00 C ATOM 472 C ASN A 30 32.185 55.981 -3.218 1.00 0.00 C ATOM 473 O ASN A 30 31.200 55.289 -3.476 1.00 0.00 O ATOM 474 CB ASN A 30 32.755 56.401 -0.818 1.00 0.00 C ATOM 475 CG ASN A 30 31.375 56.041 -0.292 1.00 0.00 C ATOM 476 OD1 ASN A 30 30.676 56.884 0.265 1.00 0.00 O ATOM 477 ND2 ASN A 30 30.977 54.789 -0.452 1.00 0.00 N ATOM 0 H ASN A 30 34.869 56.779 -2.154 1.00 0.00 H new ATOM 0 HA ASN A 30 33.028 54.553 -1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 30 33.497 56.209 -0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.790 57.468 -1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 30 30.062 54.497 -0.108 1.00 0.00 H new ATOM 0 HD22 ASN A 30 31.585 54.116 -0.920 1.00 0.00 H new ATOM 484 N CYS A 31 32.500 57.073 -3.895 1.00 0.00 N ATOM 485 CA CYS A 31 31.758 57.485 -5.066 1.00 0.00 C ATOM 486 C CYS A 31 32.308 56.780 -6.300 1.00 0.00 C ATOM 487 O CYS A 31 33.230 55.974 -6.192 1.00 0.00 O ATOM 488 CB CYS A 31 31.788 59.008 -5.208 1.00 0.00 C ATOM 489 SG CYS A 31 30.907 59.856 -3.860 1.00 0.00 S ATOM 0 H CYS A 31 33.272 57.692 -3.648 1.00 0.00 H new ATOM 0 HA CYS A 31 30.713 57.195 -4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 31 32.824 59.347 -5.229 1.00 0.00 H new ATOM 0 HB3 CYS A 31 31.341 59.289 -6.162 1.00 0.00 H new ATOM 494 N SER A 32 31.684 57.035 -7.445 1.00 0.00 N ATOM 495 CA SER A 32 31.972 56.343 -8.700 1.00 0.00 C ATOM 496 C SER A 32 31.344 54.952 -8.700 1.00 0.00 C ATOM 497 O SER A 32 30.880 54.474 -9.733 1.00 0.00 O ATOM 498 CB SER A 32 33.478 56.290 -8.987 1.00 0.00 C ATOM 499 OG SER A 32 33.967 57.572 -9.370 1.00 0.00 O ATOM 0 H SER A 32 30.951 57.740 -7.530 1.00 0.00 H new ATOM 0 HA SER A 32 31.521 56.914 -9.511 1.00 0.00 H new ATOM 0 HB2 SER A 32 34.009 55.943 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 32 33.676 55.569 -9.780 1.00 0.00 H new ATOM 0 HG SER A 32 34.380 58.009 -8.596 1.00 0.00 H new ATOM 505 N GLY A 33 31.298 54.329 -7.530 1.00 0.00 N ATOM 506 CA GLY A 33 30.601 53.067 -7.373 1.00 0.00 C ATOM 507 C GLY A 33 29.110 53.189 -7.644 1.00 0.00 C ATOM 508 O GLY A 33 28.488 52.251 -8.137 1.00 0.00 O ATOM 0 H GLY A 33 31.736 54.680 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 33 31.032 52.331 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 33 30.754 52.695 -6.360 1.00 0.00 H new ATOM 512 N MET A 34 28.530 54.345 -7.322 1.00 0.00 N ATOM 513 CA MET A 34 27.110 54.579 -7.590 1.00 0.00 C ATOM 514 C MET A 34 26.931 55.307 -8.921 1.00 0.00 C ATOM 515 O MET A 34 25.813 55.634 -9.311 1.00 0.00 O ATOM 516 CB MET A 34 26.442 55.397 -6.472 1.00 0.00 C ATOM 517 CG MET A 34 26.831 56.868 -6.461 1.00 0.00 C ATOM 518 SD MET A 34 28.525 57.148 -5.917 1.00 0.00 S ATOM 519 CE MET A 34 28.384 56.735 -4.177 1.00 0.00 C ATOM 0 H MET A 34 29.014 55.126 -6.880 1.00 0.00 H new ATOM 0 HA MET A 34 26.628 53.602 -7.635 1.00 0.00 H new ATOM 0 HB2 MET A 34 25.360 55.319 -6.577 1.00 0.00 H new ATOM 0 HB3 MET A 34 26.702 54.956 -5.509 1.00 0.00 H new ATOM 0 HG2 MET A 34 26.705 57.278 -7.463 1.00 0.00 H new ATOM 0 HG3 MET A 34 26.151 57.412 -5.806 1.00 0.00 H new ATOM 0 HE1 MET A 34 28.986 57.428 -3.589 1.00 0.00 H new ATOM 0 HE2 MET A 34 27.341 56.809 -3.869 1.00 0.00 H new ATOM 0 HE3 MET A 34 28.739 55.717 -4.015 1.00 0.00 H new ATOM 529 N GLY A 35 28.037 55.567 -9.605 1.00 0.00 N ATOM 530 CA GLY A 35 27.973 56.268 -10.874 1.00 0.00 C ATOM 531 C GLY A 35 28.219 57.759 -10.735 1.00 0.00 C ATOM 532 O GLY A 35 28.328 58.471 -11.733 1.00 0.00 O ATOM 0 H GLY A 35 28.976 55.306 -9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 35 28.711 55.845 -11.555 1.00 0.00 H new ATOM 0 HA3 GLY A 35 26.994 56.106 -11.324 1.00 0.00 H new ATOM 536 N ALA A 36 28.323 58.237 -9.502 1.00 0.00 N ATOM 537 CA ALA A 36 28.555 59.655 -9.259 1.00 0.00 C ATOM 538 C ALA A 36 30.037 59.910 -9.082 1.00 0.00 C ATOM 539 O ALA A 36 30.715 59.142 -8.425 1.00 0.00 O ATOM 540 CB ALA A 36 27.805 60.109 -8.017 1.00 0.00 C ATOM 0 H ALA A 36 28.251 57.668 -8.659 1.00 0.00 H new ATOM 0 HA ALA A 36 28.190 60.221 -10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 36 27.988 61.170 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 36 26.737 59.943 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.151 59.540 -7.154 1.00 0.00 H new ATOM 546 N HIS A 37 30.528 60.998 -9.626 1.00 0.00 N ATOM 547 CA HIS A 37 31.954 61.274 -9.598 1.00 0.00 C ATOM 548 C HIS A 37 32.204 62.567 -8.837 1.00 0.00 C ATOM 549 O HIS A 37 31.259 63.307 -8.569 1.00 0.00 O ATOM 550 CB HIS A 37 32.475 61.371 -11.036 1.00 0.00 C ATOM 551 CG HIS A 37 33.945 61.154 -11.190 1.00 0.00 C ATOM 552 ND1 HIS A 37 34.568 59.955 -10.915 1.00 0.00 N ATOM 553 CD2 HIS A 37 34.908 61.980 -11.639 1.00 0.00 C ATOM 554 CE1 HIS A 37 35.852 60.060 -11.198 1.00 0.00 C ATOM 555 NE2 HIS A 37 36.087 61.281 -11.638 1.00 0.00 N ATOM 0 H HIS A 37 29.966 61.709 -10.094 1.00 0.00 H new ATOM 0 HA HIS A 37 32.485 60.469 -9.089 1.00 0.00 H new ATOM 0 HB2 HIS A 37 31.949 60.638 -11.648 1.00 0.00 H new ATOM 0 HB3 HIS A 37 32.225 62.355 -11.432 1.00 0.00 H new ATOM 0 HD1 HIS A 37 34.109 59.120 -10.551 1.00 0.00 H new ATOM 0 HD2 HIS A 37 34.776 63.007 -11.945 1.00 0.00 H new ATOM 0 HE1 HIS A 37 36.588 59.277 -11.088 1.00 0.00 H new ATOM 564 N LEU A 38 33.452 62.814 -8.462 1.00 0.00 N ATOM 565 CA LEU A 38 33.825 64.058 -7.787 1.00 0.00 C ATOM 566 C LEU A 38 33.218 65.275 -8.479 1.00 0.00 C ATOM 567 O LEU A 38 33.226 65.376 -9.705 1.00 0.00 O ATOM 568 CB LEU A 38 35.346 64.202 -7.734 1.00 0.00 C ATOM 569 CG LEU A 38 35.991 63.885 -6.379 1.00 0.00 C ATOM 570 CD1 LEU A 38 35.547 64.888 -5.327 1.00 0.00 C ATOM 571 CD2 LEU A 38 35.647 62.471 -5.936 1.00 0.00 C ATOM 0 H LEU A 38 34.228 62.170 -8.613 1.00 0.00 H new ATOM 0 HA LEU A 38 33.430 64.010 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.782 63.546 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 38 35.607 65.223 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 38 37.072 63.957 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.015 64.646 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.844 65.891 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 34.463 64.847 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.115 62.268 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.566 62.372 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 38 36.014 61.759 -6.675 1.00 0.00 H new ATOM 583 N MET A 39 32.649 66.170 -7.680 1.00 0.00 N ATOM 584 CA MET A 39 32.052 67.389 -8.195 1.00 0.00 C ATOM 585 C MET A 39 33.077 68.219 -8.962 1.00 0.00 C ATOM 586 O MET A 39 33.964 68.849 -8.378 1.00 0.00 O ATOM 587 CB MET A 39 31.453 68.214 -7.048 1.00 0.00 C ATOM 588 CG MET A 39 30.465 69.285 -7.498 1.00 0.00 C ATOM 589 SD MET A 39 31.228 70.592 -8.472 1.00 0.00 S ATOM 590 CE MET A 39 29.799 71.538 -8.987 1.00 0.00 C ATOM 0 H MET A 39 32.590 66.070 -6.667 1.00 0.00 H new ATOM 0 HA MET A 39 31.255 67.111 -8.885 1.00 0.00 H new ATOM 0 HB2 MET A 39 30.950 67.540 -6.355 1.00 0.00 H new ATOM 0 HB3 MET A 39 32.263 68.692 -6.497 1.00 0.00 H new ATOM 0 HG2 MET A 39 29.675 68.817 -8.086 1.00 0.00 H new ATOM 0 HG3 MET A 39 29.991 69.725 -6.620 1.00 0.00 H new ATOM 0 HE1 MET A 39 30.112 72.540 -9.280 1.00 0.00 H new ATOM 0 HE2 MET A 39 29.322 71.045 -9.834 1.00 0.00 H new ATOM 0 HE3 MET A 39 29.091 71.606 -8.161 1.00 0.00 H new ATOM 600 N THR A 40 32.975 68.170 -10.275 1.00 0.00 N ATOM 601 CA THR A 40 33.710 69.072 -11.131 1.00 0.00 C ATOM 602 C THR A 40 32.835 70.277 -11.469 1.00 0.00 C ATOM 603 O THR A 40 31.747 70.122 -12.038 1.00 0.00 O ATOM 604 CB THR A 40 34.181 68.366 -12.426 1.00 0.00 C ATOM 605 OG1 THR A 40 34.702 69.321 -13.364 1.00 0.00 O ATOM 606 CG2 THR A 40 33.047 67.578 -13.065 1.00 0.00 C ATOM 0 H THR A 40 32.383 67.506 -10.774 1.00 0.00 H new ATOM 0 HA THR A 40 34.601 69.406 -10.598 1.00 0.00 H new ATOM 0 HB THR A 40 34.974 67.670 -12.153 1.00 0.00 H new ATOM 0 HG1 THR A 40 35.522 69.719 -13.004 1.00 0.00 H new ATOM 0 HG21 THR A 40 33.407 67.093 -13.972 1.00 0.00 H new ATOM 0 HG22 THR A 40 32.691 66.821 -12.366 1.00 0.00 H new ATOM 0 HG23 THR A 40 32.230 68.254 -13.315 1.00 0.00 H new ATOM 614 N ILE A 41 33.288 71.464 -11.077 1.00 0.00 N ATOM 615 CA ILE A 41 32.565 72.694 -11.373 1.00 0.00 C ATOM 616 C ILE A 41 32.463 72.872 -12.879 1.00 0.00 C ATOM 617 O ILE A 41 33.475 72.939 -13.577 1.00 0.00 O ATOM 618 CB ILE A 41 33.258 73.933 -10.771 1.00 0.00 C ATOM 619 CG1 ILE A 41 33.463 73.781 -9.259 1.00 0.00 C ATOM 620 CG2 ILE A 41 32.459 75.195 -11.076 1.00 0.00 C ATOM 621 CD1 ILE A 41 32.191 73.823 -8.443 1.00 0.00 C ATOM 0 H ILE A 41 34.153 71.599 -10.553 1.00 0.00 H new ATOM 0 HA ILE A 41 31.575 72.608 -10.925 1.00 0.00 H new ATOM 0 HB ILE A 41 34.241 74.021 -11.234 1.00 0.00 H new ATOM 0 HG12 ILE A 41 33.970 72.835 -9.068 1.00 0.00 H new ATOM 0 HG13 ILE A 41 34.126 74.574 -8.914 1.00 0.00 H new ATOM 0 HG21 ILE A 41 32.964 76.059 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.381 75.324 -12.155 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.461 75.106 -10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 41 32.433 73.708 -7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.690 74.779 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 41 31.532 73.013 -8.755 1.00 0.00 H new ATOM 633 N SER A 42 31.246 72.924 -13.370 1.00 0.00 N ATOM 634 CA SER A 42 31.005 73.001 -14.799 1.00 0.00 C ATOM 635 C SER A 42 30.635 74.423 -15.216 1.00 0.00 C ATOM 636 O SER A 42 31.155 74.946 -16.202 1.00 0.00 O ATOM 637 CB SER A 42 29.898 72.018 -15.181 1.00 0.00 C ATOM 638 OG SER A 42 30.119 70.759 -14.564 1.00 0.00 O ATOM 0 H SER A 42 30.400 72.914 -12.800 1.00 0.00 H new ATOM 0 HA SER A 42 31.920 72.732 -15.327 1.00 0.00 H new ATOM 0 HB2 SER A 42 28.930 72.415 -14.876 1.00 0.00 H new ATOM 0 HB3 SER A 42 29.867 71.899 -16.264 1.00 0.00 H new ATOM 0 HG SER A 42 29.879 70.813 -13.615 1.00 0.00 H new ATOM 644 N THR A 43 29.744 75.057 -14.462 1.00 0.00 N ATOM 645 CA THR A 43 29.310 76.408 -14.783 1.00 0.00 C ATOM 646 C THR A 43 29.235 77.276 -13.532 1.00 0.00 C ATOM 647 O THR A 43 29.207 76.772 -12.408 1.00 0.00 O ATOM 648 CB THR A 43 27.931 76.422 -15.480 1.00 0.00 C ATOM 649 OG1 THR A 43 26.956 75.778 -14.654 1.00 0.00 O ATOM 650 CG2 THR A 43 27.984 75.738 -16.837 1.00 0.00 C ATOM 0 H THR A 43 29.311 74.658 -13.629 1.00 0.00 H new ATOM 0 HA THR A 43 30.055 76.814 -15.467 1.00 0.00 H new ATOM 0 HB THR A 43 27.649 77.463 -15.636 1.00 0.00 H new ATOM 0 HG1 THR A 43 26.085 75.793 -15.103 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.997 75.767 -17.298 1.00 0.00 H new ATOM 0 HG22 THR A 43 28.699 76.255 -17.477 1.00 0.00 H new ATOM 0 HG23 THR A 43 28.295 74.701 -16.710 1.00 0.00 H new ATOM 658 N GLU A 44 29.194 78.584 -13.745 1.00 0.00 N ATOM 659 CA GLU A 44 29.091 79.550 -12.664 1.00 0.00 C ATOM 660 C GLU A 44 27.764 79.411 -11.931 1.00 0.00 C ATOM 661 O GLU A 44 27.709 79.490 -10.705 1.00 0.00 O ATOM 662 CB GLU A 44 29.235 80.949 -13.246 1.00 0.00 C ATOM 663 CG GLU A 44 30.584 81.162 -13.894 1.00 0.00 C ATOM 664 CD GLU A 44 30.589 82.294 -14.893 1.00 0.00 C ATOM 665 OE1 GLU A 44 30.173 82.058 -16.047 1.00 0.00 O ATOM 666 OE2 GLU A 44 31.055 83.393 -14.550 1.00 0.00 O ATOM 0 H GLU A 44 29.231 79.004 -14.674 1.00 0.00 H new ATOM 0 HA GLU A 44 29.885 79.367 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 44 28.449 81.117 -13.983 1.00 0.00 H new ATOM 0 HB3 GLU A 44 29.093 81.686 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 31.324 81.365 -13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 44 30.890 80.243 -14.394 1.00 0.00 H new ATOM 673 N ALA A 45 26.698 79.191 -12.691 1.00 0.00 N ATOM 674 CA ALA A 45 25.380 78.998 -12.107 1.00 0.00 C ATOM 675 C ALA A 45 25.365 77.743 -11.248 1.00 0.00 C ATOM 676 O ALA A 45 24.870 77.760 -10.127 1.00 0.00 O ATOM 677 CB ALA A 45 24.318 78.920 -13.190 1.00 0.00 C ATOM 0 H ALA A 45 26.722 79.142 -13.710 1.00 0.00 H new ATOM 0 HA ALA A 45 25.153 79.855 -11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 45 23.340 78.775 -12.731 1.00 0.00 H new ATOM 0 HB2 ALA A 45 24.316 79.846 -13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 45 24.535 78.082 -13.853 1.00 0.00 H new ATOM 683 N GLU A 46 25.931 76.667 -11.779 1.00 0.00 N ATOM 684 CA GLU A 46 26.040 75.409 -11.050 1.00 0.00 C ATOM 685 C GLU A 46 26.724 75.623 -9.703 1.00 0.00 C ATOM 686 O GLU A 46 26.215 75.201 -8.665 1.00 0.00 O ATOM 687 CB GLU A 46 26.827 74.405 -11.885 1.00 0.00 C ATOM 688 CG GLU A 46 26.986 73.047 -11.235 1.00 0.00 C ATOM 689 CD GLU A 46 27.841 72.125 -12.067 1.00 0.00 C ATOM 690 OE1 GLU A 46 29.073 72.309 -12.079 1.00 0.00 O ATOM 691 OE2 GLU A 46 27.286 71.205 -12.701 1.00 0.00 O ATOM 0 H GLU A 46 26.325 76.640 -12.720 1.00 0.00 H new ATOM 0 HA GLU A 46 25.038 75.021 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.329 74.279 -12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.816 74.815 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.434 73.166 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.004 72.598 -11.087 1.00 0.00 H new ATOM 698 N GLN A 47 27.875 76.293 -9.737 1.00 0.00 N ATOM 699 CA GLN A 47 28.613 76.645 -8.526 1.00 0.00 C ATOM 700 C GLN A 47 27.698 77.353 -7.523 1.00 0.00 C ATOM 701 O GLN A 47 27.616 76.964 -6.354 1.00 0.00 O ATOM 702 CB GLN A 47 29.799 77.552 -8.891 1.00 0.00 C ATOM 703 CG GLN A 47 30.603 78.049 -7.694 1.00 0.00 C ATOM 704 CD GLN A 47 31.411 76.958 -7.026 1.00 0.00 C ATOM 705 OE1 GLN A 47 32.574 76.736 -7.356 1.00 0.00 O ATOM 706 NE2 GLN A 47 30.797 76.268 -6.079 1.00 0.00 N ATOM 0 H GLN A 47 28.320 76.605 -10.600 1.00 0.00 H new ATOM 0 HA GLN A 47 28.986 75.731 -8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 47 30.465 77.007 -9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 47 29.425 78.413 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 47 31.275 78.843 -8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 47 29.923 78.487 -6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 47 29.830 76.485 -5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 47 31.290 75.519 -5.592 1.00 0.00 H new ATOM 715 N ASN A 48 26.992 78.369 -8.005 1.00 0.00 N ATOM 716 CA ASN A 48 26.119 79.184 -7.164 1.00 0.00 C ATOM 717 C ASN A 48 24.934 78.385 -6.629 1.00 0.00 C ATOM 718 O ASN A 48 24.563 78.516 -5.466 1.00 0.00 O ATOM 719 CB ASN A 48 25.619 80.403 -7.945 1.00 0.00 C ATOM 720 CG ASN A 48 26.619 81.546 -7.948 1.00 0.00 C ATOM 721 OD1 ASN A 48 26.601 82.401 -7.066 1.00 0.00 O ATOM 722 ND2 ASN A 48 27.499 81.573 -8.939 1.00 0.00 N ATOM 0 H ASN A 48 27.007 78.651 -8.985 1.00 0.00 H new ATOM 0 HA ASN A 48 26.707 79.516 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.406 80.109 -8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.680 80.748 -7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 48 28.191 82.321 -8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 48 27.484 80.846 -9.654 1.00 0.00 H new ATOM 729 N PHE A 49 24.346 77.553 -7.475 1.00 0.00 N ATOM 730 CA PHE A 49 23.187 76.768 -7.076 1.00 0.00 C ATOM 731 C PHE A 49 23.558 75.678 -6.078 1.00 0.00 C ATOM 732 O PHE A 49 22.835 75.456 -5.108 1.00 0.00 O ATOM 733 CB PHE A 49 22.491 76.155 -8.294 1.00 0.00 C ATOM 734 CG PHE A 49 21.522 77.090 -8.963 1.00 0.00 C ATOM 735 CD1 PHE A 49 20.225 77.210 -8.492 1.00 0.00 C ATOM 736 CD2 PHE A 49 21.905 77.846 -10.059 1.00 0.00 C ATOM 737 CE1 PHE A 49 19.328 78.066 -9.102 1.00 0.00 C ATOM 738 CE2 PHE A 49 21.013 78.703 -10.673 1.00 0.00 C ATOM 739 CZ PHE A 49 19.722 78.814 -10.194 1.00 0.00 C ATOM 0 H PHE A 49 24.650 77.404 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 49 22.494 77.451 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.246 75.848 -9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 49 21.960 75.254 -7.985 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.911 76.628 -7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 49 22.913 77.764 -10.438 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.319 78.150 -8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 49 21.324 79.286 -11.527 1.00 0.00 H new ATOM 0 HZ PHE A 49 19.023 79.484 -10.672 1.00 0.00 H new ATOM 749 N ILE A 50 24.686 75.009 -6.296 1.00 0.00 N ATOM 750 CA ILE A 50 25.059 73.884 -5.447 1.00 0.00 C ATOM 751 C ILE A 50 25.448 74.346 -4.040 1.00 0.00 C ATOM 752 O ILE A 50 25.156 73.662 -3.058 1.00 0.00 O ATOM 753 CB ILE A 50 26.187 73.017 -6.065 1.00 0.00 C ATOM 754 CG1 ILE A 50 26.355 71.720 -5.266 1.00 0.00 C ATOM 755 CG2 ILE A 50 27.506 73.775 -6.119 1.00 0.00 C ATOM 756 CD1 ILE A 50 25.090 70.890 -5.178 1.00 0.00 C ATOM 0 H ILE A 50 25.349 75.222 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 50 24.172 73.255 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 50 25.899 72.773 -7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 50 27.141 71.120 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 50 26.689 71.965 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 50 28.274 73.138 -6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 50 27.386 74.671 -6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 50 27.804 74.060 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 50 25.286 69.988 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.307 71.471 -4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 50 24.766 70.613 -6.181 1.00 0.00 H new ATOM 768 N ILE A 51 26.064 75.525 -3.929 1.00 0.00 N ATOM 769 CA ILE A 51 26.470 76.038 -2.620 1.00 0.00 C ATOM 770 C ILE A 51 25.261 76.485 -1.798 1.00 0.00 C ATOM 771 O ILE A 51 25.398 76.901 -0.647 1.00 0.00 O ATOM 772 CB ILE A 51 27.476 77.201 -2.734 1.00 0.00 C ATOM 773 CG1 ILE A 51 26.863 78.382 -3.494 1.00 0.00 C ATOM 774 CG2 ILE A 51 28.753 76.723 -3.413 1.00 0.00 C ATOM 775 CD1 ILE A 51 27.781 79.579 -3.611 1.00 0.00 C ATOM 0 H ILE A 51 26.290 76.133 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 51 26.964 75.212 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 51 27.724 77.545 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 51 26.583 78.052 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 51 25.945 78.688 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 51 29.457 77.552 -3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 51 29.199 75.921 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 51 28.518 76.354 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 51 27.276 80.373 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.041 79.937 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.689 79.291 -4.141 1.00 0.00 H new ATOM 787 N GLN A 52 24.081 76.406 -2.404 1.00 0.00 N ATOM 788 CA GLN A 52 22.835 76.680 -1.703 1.00 0.00 C ATOM 789 C GLN A 52 22.320 75.414 -1.029 1.00 0.00 C ATOM 790 O GLN A 52 21.563 75.476 -0.063 1.00 0.00 O ATOM 791 CB GLN A 52 21.783 77.215 -2.675 1.00 0.00 C ATOM 792 CG GLN A 52 22.163 78.540 -3.316 1.00 0.00 C ATOM 793 CD GLN A 52 21.148 79.014 -4.338 1.00 0.00 C ATOM 794 OE1 GLN A 52 20.500 78.080 -5.015 1.00 0.00 O flip ATOM 795 NE2 GLN A 52 20.954 80.212 -4.526 1.00 0.00 N flip ATOM 0 H GLN A 52 23.963 76.153 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 52 23.027 77.435 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.616 76.476 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 52 20.838 77.335 -2.145 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.269 79.297 -2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.136 78.439 -3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.473 80.904 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 52 20.274 80.515 -5.223 1.00 0.00 H new ATOM 804 N PHE A 53 22.733 74.264 -1.554 1.00 0.00 N ATOM 805 CA PHE A 53 22.332 72.978 -0.997 1.00 0.00 C ATOM 806 C PHE A 53 23.366 72.495 0.006 1.00 0.00 C ATOM 807 O PHE A 53 23.083 71.644 0.848 1.00 0.00 O ATOM 808 CB PHE A 53 22.177 71.934 -2.105 1.00 0.00 C ATOM 809 CG PHE A 53 21.196 72.316 -3.174 1.00 0.00 C ATOM 810 CD1 PHE A 53 19.836 72.318 -2.919 1.00 0.00 C ATOM 811 CD2 PHE A 53 21.638 72.667 -4.437 1.00 0.00 C ATOM 812 CE1 PHE A 53 18.934 72.666 -3.906 1.00 0.00 C ATOM 813 CE2 PHE A 53 20.743 73.017 -5.427 1.00 0.00 C ATOM 814 CZ PHE A 53 19.390 73.018 -5.163 1.00 0.00 C ATOM 0 H PHE A 53 23.346 74.198 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 53 21.373 73.110 -0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 53 23.150 71.761 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 53 21.863 70.990 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 53 19.476 72.045 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 53 22.697 72.667 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 53 17.875 72.663 -3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 53 21.102 73.290 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.688 73.293 -5.936 1.00 0.00 H new ATOM 824 N LEU A 54 24.574 73.026 -0.115 1.00 0.00 N ATOM 825 CA LEU A 54 25.661 72.670 0.782 1.00 0.00 C ATOM 826 C LEU A 54 25.463 73.306 2.150 1.00 0.00 C ATOM 827 O LEU A 54 25.001 74.445 2.256 1.00 0.00 O ATOM 828 CB LEU A 54 26.999 73.119 0.196 1.00 0.00 C ATOM 829 CG LEU A 54 27.334 72.547 -1.178 1.00 0.00 C ATOM 830 CD1 LEU A 54 28.675 73.078 -1.660 1.00 0.00 C ATOM 831 CD2 LEU A 54 27.341 71.026 -1.136 1.00 0.00 C ATOM 0 H LEU A 54 24.826 73.708 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 54 25.664 71.586 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.001 74.207 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 54 27.792 72.841 0.890 1.00 0.00 H new ATOM 0 HG LEU A 54 26.565 72.865 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 54 28.900 72.661 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 54 28.632 74.165 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 54 29.455 72.789 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 54 27.582 70.636 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 54 28.088 70.685 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.358 70.666 -0.833 1.00 0.00 H new ATOM 843 N ASP A 55 25.819 72.567 3.191 1.00 0.00 N ATOM 844 CA ASP A 55 25.736 73.080 4.550 1.00 0.00 C ATOM 845 C ASP A 55 26.759 74.183 4.735 1.00 0.00 C ATOM 846 O ASP A 55 27.959 73.951 4.575 1.00 0.00 O ATOM 847 CB ASP A 55 25.990 71.966 5.567 1.00 0.00 C ATOM 848 CG ASP A 55 25.879 72.447 7.002 1.00 0.00 C ATOM 849 OD1 ASP A 55 26.886 72.930 7.551 1.00 0.00 O ATOM 850 OD2 ASP A 55 24.788 72.330 7.596 1.00 0.00 O ATOM 0 H ASP A 55 26.168 71.611 3.120 1.00 0.00 H new ATOM 0 HA ASP A 55 24.733 73.474 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.276 71.159 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.984 71.550 5.403 1.00 0.00 H new ATOM 855 N ARG A 56 26.282 75.378 5.057 1.00 0.00 N ATOM 856 CA ARG A 56 27.148 76.541 5.219 1.00 0.00 C ATOM 857 C ARG A 56 27.995 76.444 6.488 1.00 0.00 C ATOM 858 O ARG A 56 27.897 77.288 7.378 1.00 0.00 O ATOM 859 CB ARG A 56 26.320 77.828 5.236 1.00 0.00 C ATOM 860 CG ARG A 56 26.005 78.383 3.854 1.00 0.00 C ATOM 861 CD ARG A 56 25.236 79.692 3.957 1.00 0.00 C ATOM 862 NE ARG A 56 25.423 80.556 2.788 1.00 0.00 N ATOM 863 CZ ARG A 56 25.648 81.873 2.878 1.00 0.00 C ATOM 864 NH1 ARG A 56 25.676 82.458 4.067 1.00 0.00 N ATOM 865 NH2 ARG A 56 25.841 82.604 1.786 1.00 0.00 N ATOM 0 H ARG A 56 25.292 75.569 5.212 1.00 0.00 H new ATOM 0 HA ARG A 56 27.826 76.564 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 56 25.384 77.638 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 56 26.858 78.586 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 56 26.931 78.543 3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 56 25.420 77.656 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 56 24.174 79.476 4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 56 25.555 80.226 4.852 1.00 0.00 H new ATOM 0 HE ARG A 56 25.380 80.134 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 56 25.526 81.905 4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 56 25.847 83.461 4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 56 25.819 82.163 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 56 26.011 83.606 1.867 1.00 0.00 H new ATOM 879 N ARG A 57 28.818 75.407 6.553 1.00 0.00 N ATOM 880 CA ARG A 57 29.722 75.202 7.676 1.00 0.00 C ATOM 881 C ARG A 57 30.836 74.212 7.320 1.00 0.00 C ATOM 882 O ARG A 57 31.944 74.300 7.852 1.00 0.00 O ATOM 883 CB ARG A 57 28.914 74.731 8.892 1.00 0.00 C ATOM 884 CG ARG A 57 29.537 73.601 9.695 1.00 0.00 C ATOM 885 CD ARG A 57 28.560 73.096 10.743 1.00 0.00 C ATOM 886 NE ARG A 57 27.248 72.810 10.158 1.00 0.00 N ATOM 887 CZ ARG A 57 26.143 72.566 10.858 1.00 0.00 C ATOM 888 NH1 ARG A 57 26.183 72.543 12.188 1.00 0.00 N ATOM 889 NH2 ARG A 57 24.997 72.346 10.225 1.00 0.00 N ATOM 0 H ARG A 57 28.878 74.687 5.833 1.00 0.00 H new ATOM 0 HA ARG A 57 30.210 76.145 7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 57 28.760 75.582 9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 57 27.930 74.411 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 57 29.820 72.786 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 57 30.450 73.949 10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 57 28.957 72.194 11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 57 28.454 73.841 11.532 1.00 0.00 H new ATOM 0 HE ARG A 57 27.176 72.797 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 57 27.063 72.713 12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 57 25.334 72.356 12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 57 24.966 72.364 9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 57 24.148 72.159 10.758 1.00 0.00 H new ATOM 903 N LEU A 58 30.552 73.276 6.416 1.00 0.00 N ATOM 904 CA LEU A 58 31.547 72.282 6.022 1.00 0.00 C ATOM 905 C LEU A 58 32.348 72.729 4.800 1.00 0.00 C ATOM 906 O LEU A 58 32.068 73.763 4.193 1.00 0.00 O ATOM 907 CB LEU A 58 30.892 70.924 5.721 1.00 0.00 C ATOM 908 CG LEU A 58 30.361 70.142 6.930 1.00 0.00 C ATOM 909 CD1 LEU A 58 31.360 70.172 8.077 1.00 0.00 C ATOM 910 CD2 LEU A 58 29.010 70.671 7.373 1.00 0.00 C ATOM 0 H LEU A 58 29.651 73.186 5.947 1.00 0.00 H new ATOM 0 HA LEU A 58 32.226 72.177 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 58 30.065 71.089 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 58 31.621 70.300 5.203 1.00 0.00 H new ATOM 0 HG LEU A 58 30.228 69.104 6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 58 30.961 69.611 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 58 32.299 69.722 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 58 31.537 71.204 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.658 70.098 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.104 71.721 7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.296 70.575 6.555 1.00 0.00 H new ATOM 922 N SER A 59 33.353 71.933 4.461 1.00 0.00 N ATOM 923 CA SER A 59 34.157 72.139 3.268 1.00 0.00 C ATOM 924 C SER A 59 34.079 70.892 2.390 1.00 0.00 C ATOM 925 O SER A 59 34.274 69.780 2.876 1.00 0.00 O ATOM 926 CB SER A 59 35.606 72.430 3.664 1.00 0.00 C ATOM 927 OG SER A 59 36.059 71.512 4.648 1.00 0.00 O ATOM 0 H SER A 59 33.634 71.121 5.011 1.00 0.00 H new ATOM 0 HA SER A 59 33.776 72.993 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 59 36.246 72.370 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 59 35.685 73.447 4.047 1.00 0.00 H new ATOM 0 HG SER A 59 36.988 71.717 4.884 1.00 0.00 H new ATOM 933 N TYR A 60 33.777 71.068 1.112 1.00 0.00 N ATOM 934 CA TYR A 60 33.549 69.932 0.223 1.00 0.00 C ATOM 935 C TYR A 60 34.624 69.843 -0.862 1.00 0.00 C ATOM 936 O TYR A 60 34.861 70.808 -1.582 1.00 0.00 O ATOM 937 CB TYR A 60 32.171 70.050 -0.431 1.00 0.00 C ATOM 938 CG TYR A 60 31.010 70.111 0.547 1.00 0.00 C ATOM 939 CD1 TYR A 60 30.663 71.302 1.174 1.00 0.00 C ATOM 940 CD2 TYR A 60 30.258 68.980 0.834 1.00 0.00 C ATOM 941 CE1 TYR A 60 29.603 71.362 2.057 1.00 0.00 C ATOM 942 CE2 TYR A 60 29.193 69.035 1.714 1.00 0.00 C ATOM 943 CZ TYR A 60 28.871 70.227 2.322 1.00 0.00 C ATOM 944 OH TYR A 60 27.808 70.286 3.194 1.00 0.00 O ATOM 0 H TYR A 60 33.684 71.981 0.666 1.00 0.00 H new ATOM 0 HA TYR A 60 33.597 69.024 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 60 32.153 70.946 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 60 32.025 69.199 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 60 31.232 72.196 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 60 30.509 68.042 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 60 29.350 72.295 2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 60 28.616 68.146 1.923 1.00 0.00 H new ATOM 0 HH TYR A 60 27.397 69.399 3.270 1.00 0.00 H new ATOM 954 N PHE A 61 35.263 68.680 -0.975 1.00 0.00 N ATOM 955 CA PHE A 61 36.296 68.454 -1.993 1.00 0.00 C ATOM 956 C PHE A 61 35.743 68.584 -3.411 1.00 0.00 C ATOM 957 O PHE A 61 34.585 68.248 -3.672 1.00 0.00 O ATOM 958 CB PHE A 61 36.920 67.064 -1.833 1.00 0.00 C ATOM 959 CG PHE A 61 37.969 66.977 -0.762 1.00 0.00 C ATOM 960 CD1 PHE A 61 39.268 67.384 -1.019 1.00 0.00 C ATOM 961 CD2 PHE A 61 37.663 66.479 0.492 1.00 0.00 C ATOM 962 CE1 PHE A 61 40.241 67.301 -0.044 1.00 0.00 C ATOM 963 CE2 PHE A 61 38.632 66.392 1.471 1.00 0.00 C ATOM 964 CZ PHE A 61 39.924 66.804 1.203 1.00 0.00 C ATOM 0 H PHE A 61 35.085 67.875 -0.374 1.00 0.00 H new ATOM 0 HA PHE A 61 37.054 69.223 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 61 36.130 66.347 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 61 37.362 66.766 -2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 61 39.522 67.771 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 61 36.655 66.155 0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 61 41.249 67.625 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 61 38.381 66.002 2.446 1.00 0.00 H new ATOM 0 HZ PHE A 61 40.683 66.737 1.968 1.00 0.00 H new ATOM 974 N LEU A 62 36.586 69.070 -4.320 1.00 0.00 N ATOM 975 CA LEU A 62 36.234 69.156 -5.734 1.00 0.00 C ATOM 976 C LEU A 62 37.106 68.209 -6.561 1.00 0.00 C ATOM 977 O LEU A 62 38.013 67.571 -6.031 1.00 0.00 O ATOM 978 CB LEU A 62 36.368 70.594 -6.243 1.00 0.00 C ATOM 979 CG LEU A 62 35.381 71.594 -5.634 1.00 0.00 C ATOM 980 CD1 LEU A 62 35.569 72.973 -6.246 1.00 0.00 C ATOM 981 CD2 LEU A 62 33.949 71.117 -5.829 1.00 0.00 C ATOM 0 H LEU A 62 37.522 69.411 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 62 35.193 68.853 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 62 37.382 70.941 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 62 36.239 70.593 -7.325 1.00 0.00 H new ATOM 0 HG LEU A 62 35.580 71.662 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 62 34.858 73.669 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 62 36.585 73.320 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 62 35.399 72.920 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 62 33.262 71.840 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 62 33.740 71.018 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 62 33.818 70.150 -5.343 1.00 0.00 H new ATOM 993 N GLY A 63 36.840 68.143 -7.860 1.00 0.00 N ATOM 994 CA GLY A 63 37.454 67.124 -8.703 1.00 0.00 C ATOM 995 C GLY A 63 38.869 67.429 -9.189 1.00 0.00 C ATOM 996 O GLY A 63 39.409 66.671 -9.989 1.00 0.00 O ATOM 0 H GLY A 63 36.209 68.777 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 63 37.475 66.185 -8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 63 36.817 66.967 -9.573 1.00 0.00 H new ATOM 1000 N LEU A 64 39.486 68.509 -8.727 1.00 0.00 N ATOM 1001 CA LEU A 64 40.852 68.826 -9.160 1.00 0.00 C ATOM 1002 C LEU A 64 41.862 68.474 -8.074 1.00 0.00 C ATOM 1003 O LEU A 64 41.627 68.723 -6.891 1.00 0.00 O ATOM 1004 CB LEU A 64 41.010 70.297 -9.581 1.00 0.00 C ATOM 1005 CG LEU A 64 40.652 71.356 -8.538 1.00 0.00 C ATOM 1006 CD1 LEU A 64 41.258 72.694 -8.931 1.00 0.00 C ATOM 1007 CD2 LEU A 64 39.143 71.491 -8.408 1.00 0.00 C ATOM 0 H LEU A 64 39.078 69.171 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 64 41.050 68.215 -10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 64 42.045 70.454 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 64 40.392 70.466 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 64 41.057 71.045 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 64 40.999 73.444 -8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 64 42.342 72.599 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 64 40.868 72.999 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 64 38.909 72.249 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 64 38.720 71.785 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 64 38.717 70.536 -8.101 1.00 0.00 H new ATOM 1019 N ARG A 65 42.988 67.898 -8.485 1.00 0.00 N ATOM 1020 CA ARG A 65 43.973 67.387 -7.539 1.00 0.00 C ATOM 1021 C ARG A 65 45.409 67.735 -7.932 1.00 0.00 C ATOM 1022 O ARG A 65 45.789 67.660 -9.108 1.00 0.00 O ATOM 1023 CB ARG A 65 43.849 65.862 -7.448 1.00 0.00 C ATOM 1024 CG ARG A 65 44.972 65.202 -6.661 1.00 0.00 C ATOM 1025 CD ARG A 65 44.975 63.698 -6.846 1.00 0.00 C ATOM 1026 NE ARG A 65 45.917 63.036 -5.945 1.00 0.00 N ATOM 1027 CZ ARG A 65 46.704 62.023 -6.311 1.00 0.00 C ATOM 1028 NH1 ARG A 65 46.663 61.569 -7.556 1.00 0.00 N ATOM 1029 NH2 ARG A 65 47.538 61.474 -5.434 1.00 0.00 N ATOM 0 H ARG A 65 43.240 67.774 -9.466 1.00 0.00 H new ATOM 0 HA ARG A 65 43.766 67.860 -6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 65 42.896 65.611 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 65 43.831 65.447 -8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 65 45.930 65.610 -6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 65 44.863 65.439 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 65 43.972 63.309 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 65 45.233 63.460 -7.878 1.00 0.00 H new ATOM 0 HE ARG A 65 45.976 63.367 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 65 46.030 61.994 -8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 65 47.265 60.794 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 65 47.578 61.827 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 65 48.138 60.700 -5.717 1.00 0.00 H new ATOM 1043 N ASP A 66 46.195 68.126 -6.936 1.00 0.00 N ATOM 1044 CA ASP A 66 47.645 68.118 -7.049 1.00 0.00 C ATOM 1045 C ASP A 66 48.166 67.006 -6.144 1.00 0.00 C ATOM 1046 O ASP A 66 47.499 66.635 -5.179 1.00 0.00 O ATOM 1047 CB ASP A 66 48.262 69.463 -6.660 1.00 0.00 C ATOM 1048 CG ASP A 66 49.672 69.618 -7.202 1.00 0.00 C ATOM 1049 OD1 ASP A 66 50.543 68.784 -6.871 1.00 0.00 O ATOM 1050 OD2 ASP A 66 49.911 70.557 -7.983 1.00 0.00 O ATOM 0 H ASP A 66 45.847 68.455 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 66 47.928 67.943 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 66 47.637 70.272 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 66 48.279 69.554 -5.574 1.00 0.00 H new ATOM 1055 N GLU A 67 49.330 66.463 -6.446 1.00 0.00 N ATOM 1056 CA GLU A 67 49.767 65.235 -5.795 1.00 0.00 C ATOM 1057 C GLU A 67 51.275 65.190 -5.559 1.00 0.00 C ATOM 1058 O GLU A 67 51.781 64.233 -4.976 1.00 0.00 O ATOM 1059 CB GLU A 67 49.338 64.054 -6.656 1.00 0.00 C ATOM 1060 CG GLU A 67 49.769 64.195 -8.103 1.00 0.00 C ATOM 1061 CD GLU A 67 48.790 63.572 -9.069 1.00 0.00 C ATOM 1062 OE1 GLU A 67 48.764 62.334 -9.181 1.00 0.00 O ATOM 1063 OE2 GLU A 67 48.040 64.336 -9.718 1.00 0.00 O ATOM 0 H GLU A 67 49.985 66.844 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 67 49.301 65.191 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 67 49.760 63.137 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.254 63.954 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 67 49.885 65.252 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 67 50.746 63.730 -8.233 1.00 0.00 H new ATOM 1070 N ASN A 68 51.989 66.219 -5.992 1.00 0.00 N ATOM 1071 CA ASN A 68 53.438 66.229 -5.880 1.00 0.00 C ATOM 1072 C ASN A 68 53.931 67.673 -5.911 1.00 0.00 C ATOM 1073 O ASN A 68 55.064 67.949 -6.300 1.00 0.00 O ATOM 1074 CB ASN A 68 54.042 65.423 -7.041 1.00 0.00 C ATOM 1075 CG ASN A 68 55.482 64.998 -6.804 1.00 0.00 C ATOM 1076 OD1 ASN A 68 55.749 63.906 -6.308 1.00 0.00 O ATOM 1077 ND2 ASN A 68 56.416 65.864 -7.150 1.00 0.00 N ATOM 0 H ASN A 68 51.590 67.053 -6.422 1.00 0.00 H new ATOM 0 HA ASN A 68 53.748 65.772 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 68 53.433 64.535 -7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 68 53.994 66.021 -7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 68 57.400 65.636 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 68 56.154 66.761 -7.559 1.00 0.00 H new ATOM 1084 N ALA A 69 53.062 68.593 -5.490 1.00 0.00 N ATOM 1085 CA ALA A 69 53.348 70.022 -5.578 1.00 0.00 C ATOM 1086 C ALA A 69 53.647 70.387 -7.032 1.00 0.00 C ATOM 1087 O ALA A 69 54.593 71.114 -7.331 1.00 0.00 O ATOM 1088 CB ALA A 69 54.503 70.398 -4.650 1.00 0.00 C ATOM 0 H ALA A 69 52.153 68.371 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 69 52.478 70.591 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 69 54.701 71.467 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 69 54.237 70.154 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 69 55.395 69.841 -4.936 1.00 0.00 H new ATOM 1094 N LYS A 70 52.799 69.877 -7.921 1.00 0.00 N ATOM 1095 CA LYS A 70 53.002 69.989 -9.361 1.00 0.00 C ATOM 1096 C LYS A 70 52.807 71.423 -9.832 1.00 0.00 C ATOM 1097 O LYS A 70 53.598 71.946 -10.615 1.00 0.00 O ATOM 1098 CB LYS A 70 52.005 69.092 -10.111 1.00 0.00 C ATOM 1099 CG LYS A 70 51.954 67.651 -9.622 1.00 0.00 C ATOM 1100 CD LYS A 70 50.779 66.890 -10.236 1.00 0.00 C ATOM 1101 CE LYS A 70 49.449 67.571 -9.937 1.00 0.00 C ATOM 1102 NZ LYS A 70 48.289 66.815 -10.485 1.00 0.00 N ATOM 0 H LYS A 70 51.950 69.374 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 70 54.024 69.675 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 70 51.009 69.527 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 70 52.262 69.093 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 70 52.887 67.147 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 70 51.869 67.638 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 70 50.916 66.817 -11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 70 50.762 65.872 -9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 70 49.333 67.678 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 70 49.456 68.576 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 47.412 67.153 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 48.233 66.962 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 48.410 65.801 -10.287 1.00 0.00 H new ATOM 1116 N GLY A 71 51.719 72.032 -9.381 1.00 0.00 N ATOM 1117 CA GLY A 71 51.345 73.346 -9.866 1.00 0.00 C ATOM 1118 C GLY A 71 50.459 73.231 -11.089 1.00 0.00 C ATOM 1119 O GLY A 71 49.647 74.110 -11.378 1.00 0.00 O ATOM 0 H GLY A 71 51.086 71.638 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 71 50.822 73.894 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 71 52.240 73.917 -10.111 1.00 0.00 H new ATOM 1123 N GLN A 72 50.627 72.127 -11.803 1.00 0.00 N ATOM 1124 CA GLN A 72 49.811 71.815 -12.961 1.00 0.00 C ATOM 1125 C GLN A 72 48.579 71.036 -12.523 1.00 0.00 C ATOM 1126 O GLN A 72 48.648 69.829 -12.263 1.00 0.00 O ATOM 1127 CB GLN A 72 50.623 71.007 -13.974 1.00 0.00 C ATOM 1128 CG GLN A 72 51.859 71.737 -14.473 1.00 0.00 C ATOM 1129 CD GLN A 72 52.745 70.863 -15.336 1.00 0.00 C ATOM 1130 OE1 GLN A 72 52.567 70.782 -16.547 1.00 0.00 O ATOM 1131 NE2 GLN A 72 53.721 70.216 -14.717 1.00 0.00 N ATOM 0 H GLN A 72 51.335 71.423 -11.593 1.00 0.00 H new ATOM 0 HA GLN A 72 49.492 72.742 -13.437 1.00 0.00 H new ATOM 0 HB2 GLN A 72 50.926 70.065 -13.518 1.00 0.00 H new ATOM 0 HB3 GLN A 72 49.987 70.760 -14.824 1.00 0.00 H new ATOM 0 HG2 GLN A 72 51.553 72.613 -15.044 1.00 0.00 H new ATOM 0 HG3 GLN A 72 52.432 72.098 -13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 72 53.835 70.310 -13.708 1.00 0.00 H new ATOM 0 HE22 GLN A 72 54.358 69.624 -15.250 1.00 0.00 H new ATOM 1140 N TRP A 73 47.465 71.739 -12.414 1.00 0.00 N ATOM 1141 CA TRP A 73 46.233 71.150 -11.921 1.00 0.00 C ATOM 1142 C TRP A 73 45.626 70.176 -12.918 1.00 0.00 C ATOM 1143 O TRP A 73 45.660 70.389 -14.129 1.00 0.00 O ATOM 1144 CB TRP A 73 45.221 72.235 -11.575 1.00 0.00 C ATOM 1145 CG TRP A 73 45.554 72.968 -10.319 1.00 0.00 C ATOM 1146 CD1 TRP A 73 46.198 74.167 -10.205 1.00 0.00 C ATOM 1147 CD2 TRP A 73 45.262 72.538 -8.990 1.00 0.00 C ATOM 1148 NE1 TRP A 73 46.315 74.511 -8.881 1.00 0.00 N ATOM 1149 CE2 TRP A 73 45.749 73.525 -8.116 1.00 0.00 C ATOM 1150 CE3 TRP A 73 44.630 71.413 -8.455 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 45.624 73.418 -6.735 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 44.507 71.309 -7.086 1.00 0.00 C ATOM 1153 CH2 TRP A 73 45.001 72.306 -6.240 1.00 0.00 C ATOM 0 H TRP A 73 47.389 72.725 -12.662 1.00 0.00 H new ATOM 0 HA TRP A 73 46.485 70.590 -11.020 1.00 0.00 H new ATOM 0 HB2 TRP A 73 45.164 72.946 -12.399 1.00 0.00 H new ATOM 0 HB3 TRP A 73 44.234 71.784 -11.474 1.00 0.00 H new ATOM 0 HD1 TRP A 73 46.561 74.757 -11.033 1.00 0.00 H new ATOM 0 HE1 TRP A 73 46.752 75.361 -8.525 1.00 0.00 H new ATOM 0 HE3 TRP A 73 44.245 70.639 -9.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 46.005 74.185 -6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 44.021 70.443 -6.660 1.00 0.00 H new ATOM 0 HH2 TRP A 73 44.888 72.196 -5.172 1.00 0.00 H new ATOM 1164 N ARG A 74 45.062 69.109 -12.381 1.00 0.00 N ATOM 1165 CA ARG A 74 44.442 68.071 -13.180 1.00 0.00 C ATOM 1166 C ARG A 74 43.171 67.593 -12.501 1.00 0.00 C ATOM 1167 O ARG A 74 43.205 67.138 -11.357 1.00 0.00 O ATOM 1168 CB ARG A 74 45.426 66.913 -13.372 1.00 0.00 C ATOM 1169 CG ARG A 74 44.799 65.604 -13.838 1.00 0.00 C ATOM 1170 CD ARG A 74 44.278 65.685 -15.264 1.00 0.00 C ATOM 1171 NE ARG A 74 43.767 64.391 -15.717 1.00 0.00 N ATOM 1172 CZ ARG A 74 43.210 64.179 -16.909 1.00 0.00 C ATOM 1173 NH1 ARG A 74 43.090 65.176 -17.776 1.00 0.00 N ATOM 1174 NH2 ARG A 74 42.773 62.966 -17.231 1.00 0.00 N ATOM 0 H ARG A 74 45.022 68.939 -11.376 1.00 0.00 H new ATOM 0 HA ARG A 74 44.180 68.469 -14.160 1.00 0.00 H new ATOM 0 HB2 ARG A 74 46.182 67.215 -14.097 1.00 0.00 H new ATOM 0 HB3 ARG A 74 45.943 66.735 -12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 74 45.538 64.806 -13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 74 43.980 65.339 -13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 74 43.486 66.432 -15.322 1.00 0.00 H new ATOM 0 HD3 ARG A 74 45.077 66.015 -15.927 1.00 0.00 H new ATOM 0 HE ARG A 74 43.842 63.599 -15.079 1.00 0.00 H new ATOM 0 HH11 ARG A 74 43.425 66.108 -17.531 1.00 0.00 H new ATOM 0 HH12 ARG A 74 42.663 65.011 -18.688 1.00 0.00 H new ATOM 0 HH21 ARG A 74 42.864 62.198 -16.566 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.347 62.803 -18.143 1.00 0.00 H new ATOM 1188 N TRP A 75 42.054 67.735 -13.190 1.00 0.00 N ATOM 1189 CA TRP A 75 40.791 67.223 -12.688 1.00 0.00 C ATOM 1190 C TRP A 75 40.706 65.722 -12.932 1.00 0.00 C ATOM 1191 O TRP A 75 41.236 65.211 -13.922 1.00 0.00 O ATOM 1192 CB TRP A 75 39.607 67.920 -13.359 1.00 0.00 C ATOM 1193 CG TRP A 75 39.540 69.400 -13.114 1.00 0.00 C ATOM 1194 CD1 TRP A 75 40.397 70.356 -13.582 1.00 0.00 C ATOM 1195 CD2 TRP A 75 38.543 70.094 -12.358 1.00 0.00 C ATOM 1196 NE1 TRP A 75 39.994 71.598 -13.159 1.00 0.00 N ATOM 1197 CE2 TRP A 75 38.858 71.463 -12.408 1.00 0.00 C ATOM 1198 CE3 TRP A 75 37.414 69.689 -11.643 1.00 0.00 C ATOM 1199 CZ2 TRP A 75 38.085 72.429 -11.773 1.00 0.00 C ATOM 1200 CZ3 TRP A 75 36.647 70.649 -11.012 1.00 0.00 C ATOM 1201 CH2 TRP A 75 36.984 72.005 -11.082 1.00 0.00 C ATOM 0 H TRP A 75 41.995 68.199 -14.096 1.00 0.00 H new ATOM 0 HA TRP A 75 40.746 67.424 -11.618 1.00 0.00 H new ATOM 0 HB2 TRP A 75 39.658 67.744 -14.433 1.00 0.00 H new ATOM 0 HB3 TRP A 75 38.683 67.463 -13.005 1.00 0.00 H new ATOM 0 HD1 TRP A 75 41.265 70.163 -14.195 1.00 0.00 H new ATOM 0 HE1 TRP A 75 40.464 72.478 -13.370 1.00 0.00 H new ATOM 0 HE3 TRP A 75 37.145 68.645 -11.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 38.345 73.476 -11.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 35.772 70.348 -10.455 1.00 0.00 H new ATOM 0 HH2 TRP A 75 36.362 72.731 -10.580 1.00 0.00 H new ATOM 1212 N VAL A 76 40.042 65.020 -12.028 1.00 0.00 N ATOM 1213 CA VAL A 76 39.855 63.581 -12.153 1.00 0.00 C ATOM 1214 C VAL A 76 38.797 63.281 -13.219 1.00 0.00 C ATOM 1215 O VAL A 76 38.659 62.152 -13.688 1.00 0.00 O ATOM 1216 CB VAL A 76 39.455 62.956 -10.793 1.00 0.00 C ATOM 1217 CG1 VAL A 76 38.136 63.527 -10.296 1.00 0.00 C ATOM 1218 CG2 VAL A 76 39.390 61.437 -10.878 1.00 0.00 C ATOM 0 H VAL A 76 39.620 65.426 -11.193 1.00 0.00 H new ATOM 0 HA VAL A 76 40.800 63.133 -12.461 1.00 0.00 H new ATOM 0 HB VAL A 76 40.230 63.216 -10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 76 37.879 63.071 -9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 76 38.231 64.605 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 76 37.351 63.314 -11.022 1.00 0.00 H new ATOM 0 HG21 VAL A 76 39.107 61.030 -9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 76 38.650 61.146 -11.623 1.00 0.00 H new ATOM 0 HG23 VAL A 76 40.367 61.046 -11.164 1.00 0.00 H new ATOM 1228 N ASP A 77 38.074 64.321 -13.613 1.00 0.00 N ATOM 1229 CA ASP A 77 37.035 64.211 -14.633 1.00 0.00 C ATOM 1230 C ASP A 77 37.606 64.457 -16.025 1.00 0.00 C ATOM 1231 O ASP A 77 36.864 64.770 -16.954 1.00 0.00 O ATOM 1232 CB ASP A 77 35.922 65.226 -14.361 1.00 0.00 C ATOM 1233 CG ASP A 77 35.248 65.012 -13.024 1.00 0.00 C ATOM 1234 OD1 ASP A 77 35.837 65.398 -11.992 1.00 0.00 O ATOM 1235 OD2 ASP A 77 34.127 64.459 -13.005 1.00 0.00 O ATOM 0 H ASP A 77 38.189 65.262 -13.237 1.00 0.00 H new ATOM 0 HA ASP A 77 36.631 63.199 -14.592 1.00 0.00 H new ATOM 0 HB2 ASP A 77 36.338 66.233 -14.396 1.00 0.00 H new ATOM 0 HB3 ASP A 77 35.176 65.162 -15.153 1.00 0.00 H new ATOM 1240 N GLN A 78 38.934 64.333 -16.151 1.00 0.00 N ATOM 1241 CA GLN A 78 39.644 64.539 -17.418 1.00 0.00 C ATOM 1242 C GLN A 78 39.781 66.032 -17.747 1.00 0.00 C ATOM 1243 O GLN A 78 40.647 66.428 -18.534 1.00 0.00 O ATOM 1244 CB GLN A 78 38.957 63.772 -18.562 1.00 0.00 C ATOM 1245 CG GLN A 78 39.459 64.127 -19.954 1.00 0.00 C ATOM 1246 CD GLN A 78 40.926 63.800 -20.169 1.00 0.00 C ATOM 1247 OE1 GLN A 78 41.463 62.859 -19.586 1.00 0.00 O ATOM 1248 NE2 GLN A 78 41.592 64.594 -20.995 1.00 0.00 N ATOM 0 H GLN A 78 39.547 64.086 -15.374 1.00 0.00 H new ATOM 0 HA GLN A 78 40.652 64.139 -17.306 1.00 0.00 H new ATOM 0 HB2 GLN A 78 39.098 62.703 -18.401 1.00 0.00 H new ATOM 0 HB3 GLN A 78 37.885 63.963 -18.517 1.00 0.00 H new ATOM 0 HG2 GLN A 78 38.863 63.592 -20.694 1.00 0.00 H new ATOM 0 HG3 GLN A 78 39.303 65.192 -20.128 1.00 0.00 H new ATOM 0 HE21 GLN A 78 41.112 65.364 -21.460 1.00 0.00 H new ATOM 0 HE22 GLN A 78 42.585 64.435 -21.166 1.00 0.00 H new ATOM 1257 N THR A 79 38.946 66.850 -17.130 1.00 0.00 N ATOM 1258 CA THR A 79 38.984 68.290 -17.324 1.00 0.00 C ATOM 1259 C THR A 79 40.373 68.864 -17.015 1.00 0.00 C ATOM 1260 O THR A 79 40.960 68.579 -15.966 1.00 0.00 O ATOM 1261 CB THR A 79 37.936 68.978 -16.424 1.00 0.00 C ATOM 1262 OG1 THR A 79 36.683 68.293 -16.536 1.00 0.00 O ATOM 1263 CG2 THR A 79 37.750 70.439 -16.807 1.00 0.00 C ATOM 0 H THR A 79 38.224 66.536 -16.482 1.00 0.00 H new ATOM 0 HA THR A 79 38.756 68.485 -18.372 1.00 0.00 H new ATOM 0 HB THR A 79 38.294 68.937 -15.395 1.00 0.00 H new ATOM 0 HG1 THR A 79 36.019 68.730 -15.963 1.00 0.00 H new ATOM 0 HG21 THR A 79 37.005 70.894 -16.154 1.00 0.00 H new ATOM 0 HG22 THR A 79 38.698 70.967 -16.700 1.00 0.00 H new ATOM 0 HG23 THR A 79 37.413 70.504 -17.842 1.00 0.00 H new ATOM 1271 N PRO A 80 40.944 69.630 -17.956 1.00 0.00 N ATOM 1272 CA PRO A 80 42.162 70.401 -17.710 1.00 0.00 C ATOM 1273 C PRO A 80 41.864 71.596 -16.812 1.00 0.00 C ATOM 1274 O PRO A 80 40.713 72.021 -16.708 1.00 0.00 O ATOM 1275 CB PRO A 80 42.592 70.868 -19.112 1.00 0.00 C ATOM 1276 CG PRO A 80 41.755 70.077 -20.065 1.00 0.00 C ATOM 1277 CD PRO A 80 40.478 69.785 -19.337 1.00 0.00 C ATOM 0 HA PRO A 80 42.935 69.823 -17.204 1.00 0.00 H new ATOM 0 HB2 PRO A 80 42.427 71.938 -19.238 1.00 0.00 H new ATOM 0 HB3 PRO A 80 43.654 70.688 -19.278 1.00 0.00 H new ATOM 0 HG2 PRO A 80 41.565 70.640 -20.979 1.00 0.00 H new ATOM 0 HG3 PRO A 80 42.259 69.156 -20.357 1.00 0.00 H new ATOM 0 HD2 PRO A 80 39.757 70.597 -19.436 1.00 0.00 H new ATOM 0 HD3 PRO A 80 39.994 68.882 -19.708 1.00 0.00 H new ATOM 1285 N PHE A 81 42.881 72.133 -16.157 1.00 0.00 N ATOM 1286 CA PHE A 81 42.678 73.258 -15.258 1.00 0.00 C ATOM 1287 C PHE A 81 42.199 74.486 -16.030 1.00 0.00 C ATOM 1288 O PHE A 81 42.897 74.988 -16.907 1.00 0.00 O ATOM 1289 CB PHE A 81 43.962 73.591 -14.498 1.00 0.00 C ATOM 1290 CG PHE A 81 43.818 74.769 -13.571 1.00 0.00 C ATOM 1291 CD1 PHE A 81 42.970 74.705 -12.474 1.00 0.00 C ATOM 1292 CD2 PHE A 81 44.522 75.940 -13.800 1.00 0.00 C ATOM 1293 CE1 PHE A 81 42.831 75.786 -11.624 1.00 0.00 C ATOM 1294 CE2 PHE A 81 44.386 77.024 -12.953 1.00 0.00 C ATOM 1295 CZ PHE A 81 43.539 76.946 -11.864 1.00 0.00 C ATOM 0 H PHE A 81 43.846 71.812 -16.229 1.00 0.00 H new ATOM 0 HA PHE A 81 41.912 72.972 -14.537 1.00 0.00 H new ATOM 0 HB2 PHE A 81 44.271 72.719 -13.921 1.00 0.00 H new ATOM 0 HB3 PHE A 81 44.757 73.797 -15.215 1.00 0.00 H new ATOM 0 HD1 PHE A 81 42.412 73.800 -12.282 1.00 0.00 H new ATOM 0 HD2 PHE A 81 45.185 76.007 -14.650 1.00 0.00 H new ATOM 0 HE1 PHE A 81 42.169 75.723 -10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 81 44.941 77.931 -13.142 1.00 0.00 H new ATOM 0 HZ PHE A 81 43.431 77.792 -11.201 1.00 0.00 H new ATOM 1305 N ASN A 82 41.001 74.954 -15.709 1.00 0.00 N ATOM 1306 CA ASN A 82 40.454 76.147 -16.345 1.00 0.00 C ATOM 1307 C ASN A 82 40.825 77.395 -15.557 1.00 0.00 C ATOM 1308 O ASN A 82 40.323 77.609 -14.454 1.00 0.00 O ATOM 1309 CB ASN A 82 38.930 76.069 -16.460 1.00 0.00 C ATOM 1310 CG ASN A 82 38.439 75.180 -17.586 1.00 0.00 C ATOM 1311 OD1 ASN A 82 37.428 75.476 -18.217 1.00 0.00 O ATOM 1312 ND2 ASN A 82 39.124 74.077 -17.835 1.00 0.00 N ATOM 0 H ASN A 82 40.389 74.527 -15.013 1.00 0.00 H new ATOM 0 HA ASN A 82 40.883 76.203 -17.345 1.00 0.00 H new ATOM 0 HB2 ASN A 82 38.524 75.702 -15.518 1.00 0.00 H new ATOM 0 HB3 ASN A 82 38.535 77.074 -16.607 1.00 0.00 H new ATOM 0 HD21 ASN A 82 38.817 73.441 -18.571 1.00 0.00 H new ATOM 0 HD22 ASN A 82 39.960 73.862 -17.291 1.00 0.00 H new ATOM 1319 N PRO A 83 41.697 78.246 -16.119 1.00 0.00 N ATOM 1320 CA PRO A 83 42.124 79.485 -15.462 1.00 0.00 C ATOM 1321 C PRO A 83 41.006 80.526 -15.396 1.00 0.00 C ATOM 1322 O PRO A 83 41.046 81.441 -14.581 1.00 0.00 O ATOM 1323 CB PRO A 83 43.270 79.982 -16.346 1.00 0.00 C ATOM 1324 CG PRO A 83 43.001 79.393 -17.688 1.00 0.00 C ATOM 1325 CD PRO A 83 42.342 78.065 -17.434 1.00 0.00 C ATOM 0 HA PRO A 83 42.413 79.316 -14.425 1.00 0.00 H new ATOM 0 HB2 PRO A 83 43.292 81.071 -16.389 1.00 0.00 H new ATOM 0 HB3 PRO A 83 44.236 79.659 -15.959 1.00 0.00 H new ATOM 0 HG2 PRO A 83 42.354 80.043 -18.277 1.00 0.00 H new ATOM 0 HG3 PRO A 83 43.926 79.268 -18.252 1.00 0.00 H new ATOM 0 HD2 PRO A 83 41.614 77.824 -18.208 1.00 0.00 H new ATOM 0 HD3 PRO A 83 43.069 77.253 -17.416 1.00 0.00 H new ATOM 1333 N ARG A 84 40.008 80.381 -16.260 1.00 0.00 N ATOM 1334 CA ARG A 84 38.896 81.323 -16.301 1.00 0.00 C ATOM 1335 C ARG A 84 37.640 80.734 -15.667 1.00 0.00 C ATOM 1336 O ARG A 84 36.585 81.363 -15.664 1.00 0.00 O ATOM 1337 CB ARG A 84 38.601 81.744 -17.735 1.00 0.00 C ATOM 1338 CG ARG A 84 39.716 82.556 -18.364 1.00 0.00 C ATOM 1339 CD ARG A 84 39.207 83.328 -19.563 1.00 0.00 C ATOM 1340 NE ARG A 84 40.248 84.154 -20.177 1.00 0.00 N ATOM 1341 CZ ARG A 84 40.032 84.997 -21.189 1.00 0.00 C ATOM 1342 NH1 ARG A 84 38.811 85.124 -21.704 1.00 0.00 N ATOM 1343 NH2 ARG A 84 41.037 85.714 -21.685 1.00 0.00 N ATOM 0 H ARG A 84 39.946 79.623 -16.939 1.00 0.00 H new ATOM 0 HA ARG A 84 39.191 82.199 -15.724 1.00 0.00 H new ATOM 0 HB2 ARG A 84 38.425 80.854 -18.339 1.00 0.00 H new ATOM 0 HB3 ARG A 84 37.681 82.328 -17.753 1.00 0.00 H new ATOM 0 HG2 ARG A 84 40.128 83.247 -17.629 1.00 0.00 H new ATOM 0 HG3 ARG A 84 40.527 81.894 -18.669 1.00 0.00 H new ATOM 0 HD2 ARG A 84 38.818 82.629 -20.303 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.376 83.964 -19.257 1.00 0.00 H new ATOM 0 HE ARG A 84 41.196 84.081 -19.809 1.00 0.00 H new ATOM 0 HH11 ARG A 84 38.038 84.576 -21.325 1.00 0.00 H new ATOM 0 HH12 ARG A 84 38.648 85.769 -22.477 1.00 0.00 H new ATOM 0 HH21 ARG A 84 41.973 85.620 -21.292 1.00 0.00 H new ATOM 0 HH22 ARG A 84 40.871 86.358 -22.458 1.00 0.00 H new ATOM 1357 N ARG A 85 37.752 79.524 -15.137 1.00 0.00 N ATOM 1358 CA ARG A 85 36.616 78.857 -14.507 1.00 0.00 C ATOM 1359 C ARG A 85 36.960 78.488 -13.070 1.00 0.00 C ATOM 1360 O ARG A 85 36.350 77.600 -12.479 1.00 0.00 O ATOM 1361 CB ARG A 85 36.210 77.603 -15.297 1.00 0.00 C ATOM 1362 CG ARG A 85 35.635 77.884 -16.685 1.00 0.00 C ATOM 1363 CD ARG A 85 34.263 78.545 -16.623 1.00 0.00 C ATOM 1364 NE ARG A 85 34.334 79.949 -16.215 1.00 0.00 N ATOM 1365 CZ ARG A 85 33.308 80.797 -16.263 1.00 0.00 C ATOM 1366 NH1 ARG A 85 32.147 80.417 -16.784 1.00 0.00 N ATOM 1367 NH2 ARG A 85 33.454 82.038 -15.812 1.00 0.00 N ATOM 0 H ARG A 85 38.616 78.983 -15.130 1.00 0.00 H new ATOM 0 HA ARG A 85 35.770 79.545 -14.505 1.00 0.00 H new ATOM 0 HB2 ARG A 85 37.082 76.958 -15.403 1.00 0.00 H new ATOM 0 HB3 ARG A 85 35.472 77.048 -14.718 1.00 0.00 H new ATOM 0 HG2 ARG A 85 36.321 78.528 -17.236 1.00 0.00 H new ATOM 0 HG3 ARG A 85 35.560 76.949 -17.240 1.00 0.00 H new ATOM 0 HD2 ARG A 85 33.787 78.478 -17.601 1.00 0.00 H new ATOM 0 HD3 ARG A 85 33.631 77.998 -15.923 1.00 0.00 H new ATOM 0 HE ARG A 85 35.228 80.301 -15.871 1.00 0.00 H new ATOM 0 HH11 ARG A 85 32.037 79.471 -17.150 1.00 0.00 H new ATOM 0 HH12 ARG A 85 31.365 81.071 -16.818 1.00 0.00 H new ATOM 0 HH21 ARG A 85 34.350 82.340 -15.430 1.00 0.00 H new ATOM 0 HH22 ARG A 85 32.670 82.689 -15.848 1.00 0.00 H new ATOM 1381 N VAL A 86 37.936 79.192 -12.513 1.00 0.00 N ATOM 1382 CA VAL A 86 38.371 78.948 -11.149 1.00 0.00 C ATOM 1383 C VAL A 86 37.744 79.972 -10.205 1.00 0.00 C ATOM 1384 O VAL A 86 37.604 81.145 -10.553 1.00 0.00 O ATOM 1385 CB VAL A 86 39.914 78.997 -11.033 1.00 0.00 C ATOM 1386 CG1 VAL A 86 40.455 80.385 -11.353 1.00 0.00 C ATOM 1387 CG2 VAL A 86 40.362 78.546 -9.656 1.00 0.00 C ATOM 0 H VAL A 86 38.442 79.939 -12.989 1.00 0.00 H new ATOM 0 HA VAL A 86 38.042 77.948 -10.866 1.00 0.00 H new ATOM 0 HB VAL A 86 40.324 78.308 -11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 86 41.541 80.382 -11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 86 40.177 80.658 -12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 86 40.034 81.109 -10.656 1.00 0.00 H new ATOM 0 HG21 VAL A 86 41.450 78.588 -9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 86 39.931 79.202 -8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 86 40.028 77.523 -9.482 1.00 0.00 H new ATOM 1397 N PHE A 87 37.345 79.525 -9.022 1.00 0.00 N ATOM 1398 CA PHE A 87 36.730 80.414 -8.049 1.00 0.00 C ATOM 1399 C PHE A 87 37.488 80.375 -6.728 1.00 0.00 C ATOM 1400 O PHE A 87 37.030 79.774 -5.755 1.00 0.00 O ATOM 1401 CB PHE A 87 35.261 80.039 -7.825 1.00 0.00 C ATOM 1402 CG PHE A 87 34.442 80.020 -9.086 1.00 0.00 C ATOM 1403 CD1 PHE A 87 33.986 81.201 -9.650 1.00 0.00 C ATOM 1404 CD2 PHE A 87 34.128 78.820 -9.706 1.00 0.00 C ATOM 1405 CE1 PHE A 87 33.233 81.186 -10.808 1.00 0.00 C ATOM 1406 CE2 PHE A 87 33.375 78.801 -10.864 1.00 0.00 C ATOM 1407 CZ PHE A 87 32.927 79.984 -11.416 1.00 0.00 C ATOM 0 H PHE A 87 37.436 78.557 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 87 36.774 81.429 -8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 87 35.214 79.056 -7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 87 34.817 80.747 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 87 34.222 82.144 -9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 87 34.476 77.891 -9.279 1.00 0.00 H new ATOM 0 HE1 PHE A 87 32.884 82.113 -11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 87 33.137 77.860 -11.338 1.00 0.00 H new ATOM 0 HZ PHE A 87 32.338 79.970 -12.321 1.00 0.00 H new ATOM 1417 N TRP A 88 38.661 81.001 -6.703 1.00 0.00 N ATOM 1418 CA TRP A 88 39.464 81.070 -5.487 1.00 0.00 C ATOM 1419 C TRP A 88 38.720 81.851 -4.407 1.00 0.00 C ATOM 1420 O TRP A 88 37.838 82.656 -4.713 1.00 0.00 O ATOM 1421 CB TRP A 88 40.825 81.706 -5.774 1.00 0.00 C ATOM 1422 CG TRP A 88 41.691 80.878 -6.680 1.00 0.00 C ATOM 1423 CD1 TRP A 88 42.117 81.203 -7.938 1.00 0.00 C ATOM 1424 CD2 TRP A 88 42.223 79.576 -6.401 1.00 0.00 C ATOM 1425 NE1 TRP A 88 42.895 80.192 -8.447 1.00 0.00 N ATOM 1426 CE2 TRP A 88 42.973 79.181 -7.525 1.00 0.00 C ATOM 1427 CE3 TRP A 88 42.142 78.709 -5.307 1.00 0.00 C ATOM 1428 CZ2 TRP A 88 43.636 77.957 -7.587 1.00 0.00 C ATOM 1429 CZ3 TRP A 88 42.798 77.495 -5.372 1.00 0.00 C ATOM 1430 CH2 TRP A 88 43.538 77.129 -6.504 1.00 0.00 C ATOM 0 H TRP A 88 39.076 81.467 -7.510 1.00 0.00 H new ATOM 0 HA TRP A 88 39.635 80.056 -5.126 1.00 0.00 H new ATOM 0 HB2 TRP A 88 40.672 82.686 -6.226 1.00 0.00 H new ATOM 0 HB3 TRP A 88 41.348 81.868 -4.832 1.00 0.00 H new ATOM 0 HD1 TRP A 88 41.877 82.120 -8.455 1.00 0.00 H new ATOM 0 HE1 TRP A 88 43.343 80.193 -9.364 1.00 0.00 H new ATOM 0 HE3 TRP A 88 41.577 78.983 -4.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 44.206 77.673 -8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 42.739 76.815 -4.535 1.00 0.00 H new ATOM 0 HH2 TRP A 88 44.041 76.173 -6.521 1.00 0.00 H new ATOM 1441 N HIS A 89 39.059 81.612 -3.144 1.00 0.00 N ATOM 1442 CA HIS A 89 38.289 82.185 -2.053 1.00 0.00 C ATOM 1443 C HIS A 89 38.500 83.694 -1.950 1.00 0.00 C ATOM 1444 O HIS A 89 37.557 84.467 -2.147 1.00 0.00 O ATOM 1445 CB HIS A 89 38.618 81.492 -0.729 1.00 0.00 C ATOM 1446 CG HIS A 89 37.583 81.742 0.322 1.00 0.00 C ATOM 1447 ND1 HIS A 89 37.728 82.690 1.303 1.00 0.00 N ATOM 1448 CD2 HIS A 89 36.358 81.195 0.505 1.00 0.00 C ATOM 1449 CE1 HIS A 89 36.635 82.725 2.043 1.00 0.00 C ATOM 1450 NE2 HIS A 89 35.788 81.827 1.579 1.00 0.00 N ATOM 0 H HIS A 89 39.849 81.035 -2.856 1.00 0.00 H new ATOM 0 HA HIS A 89 37.234 82.017 -2.270 1.00 0.00 H new ATOM 0 HB2 HIS A 89 38.708 80.419 -0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 89 39.586 81.841 -0.371 1.00 0.00 H new ATOM 0 HD1 HIS A 89 38.551 83.276 1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 89 35.913 80.408 -0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 89 36.464 83.378 2.886 1.00 0.00 H new ATOM 0 HE2 HIS A 89 34.861 81.634 1.958 1.00 0.00 H new ATOM 1459 N LYS A 90 39.720 84.095 -1.626 1.00 0.00 N ATOM 1460 CA LYS A 90 40.098 85.507 -1.543 1.00 0.00 C ATOM 1461 C LYS A 90 41.594 85.634 -1.778 1.00 0.00 C ATOM 1462 O LYS A 90 42.051 85.959 -2.871 1.00 0.00 O ATOM 1463 CB LYS A 90 39.783 86.095 -0.158 1.00 0.00 C ATOM 1464 CG LYS A 90 38.310 86.243 0.178 1.00 0.00 C ATOM 1465 CD LYS A 90 38.087 86.108 1.676 1.00 0.00 C ATOM 1466 CE LYS A 90 39.019 87.012 2.471 1.00 0.00 C ATOM 1467 NZ LYS A 90 39.317 86.450 3.815 1.00 0.00 N ATOM 0 H LYS A 90 40.482 83.452 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 90 39.529 86.051 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 90 40.247 85.462 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 90 40.253 87.076 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 90 37.949 87.213 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 90 37.733 85.485 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 90 37.052 86.355 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 90 38.244 85.072 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 90 39.949 87.150 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 90 38.564 87.997 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 39.954 87.093 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 38.432 86.342 4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 39.774 85.522 3.710 1.00 0.00 H new ATOM 1481 N ASN A 91 42.338 85.352 -0.722 1.00 0.00 N ATOM 1482 CA ASN A 91 43.792 85.366 -0.749 1.00 0.00 C ATOM 1483 C ASN A 91 44.279 84.410 0.330 1.00 0.00 C ATOM 1484 O ASN A 91 45.392 84.512 0.838 1.00 0.00 O ATOM 1485 CB ASN A 91 44.316 86.790 -0.511 1.00 0.00 C ATOM 1486 CG ASN A 91 45.777 86.960 -0.889 1.00 0.00 C ATOM 1487 OD1 ASN A 91 46.672 86.835 -0.057 1.00 0.00 O ATOM 1488 ND2 ASN A 91 46.027 87.255 -2.154 1.00 0.00 N ATOM 0 H ASN A 91 41.947 85.105 0.187 1.00 0.00 H new ATOM 0 HA ASN A 91 44.165 85.047 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 91 43.714 87.493 -1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 91 44.187 87.047 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 91 46.989 87.387 -2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 91 45.258 87.351 -2.817 1.00 0.00 H new ATOM 1495 N GLU A 92 43.398 83.473 0.669 1.00 0.00 N ATOM 1496 CA GLU A 92 43.657 82.482 1.703 1.00 0.00 C ATOM 1497 C GLU A 92 44.910 81.665 1.395 1.00 0.00 C ATOM 1498 O GLU A 92 45.117 81.233 0.261 1.00 0.00 O ATOM 1499 CB GLU A 92 42.440 81.562 1.843 1.00 0.00 C ATOM 1500 CG GLU A 92 41.375 82.083 2.801 1.00 0.00 C ATOM 1501 CD GLU A 92 40.760 83.396 2.356 1.00 0.00 C ATOM 1502 OE1 GLU A 92 40.250 83.461 1.219 1.00 0.00 O ATOM 1503 OE2 GLU A 92 40.754 84.361 3.147 1.00 0.00 O ATOM 0 H GLU A 92 42.481 83.381 0.231 1.00 0.00 H new ATOM 0 HA GLU A 92 43.831 83.003 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 92 41.991 81.419 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 92 42.775 80.583 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 92 40.588 81.336 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 92 41.817 82.213 3.789 1.00 0.00 H new ATOM 1510 N PRO A 93 45.765 81.463 2.413 1.00 0.00 N ATOM 1511 CA PRO A 93 47.030 80.738 2.267 1.00 0.00 C ATOM 1512 C PRO A 93 46.829 79.236 2.087 1.00 0.00 C ATOM 1513 O PRO A 93 45.902 78.651 2.654 1.00 0.00 O ATOM 1514 CB PRO A 93 47.769 81.014 3.588 1.00 0.00 C ATOM 1515 CG PRO A 93 46.976 82.070 4.287 1.00 0.00 C ATOM 1516 CD PRO A 93 45.570 81.930 3.789 1.00 0.00 C ATOM 0 HA PRO A 93 47.573 81.065 1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 93 47.836 80.111 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 93 48.789 81.350 3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 93 47.021 81.940 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 93 47.370 83.062 4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 93 44.999 81.216 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 93 45.031 82.877 3.824 1.00 0.00 H new ATOM 1524 N ASP A 94 47.709 78.620 1.307 1.00 0.00 N ATOM 1525 CA ASP A 94 47.660 77.183 1.075 1.00 0.00 C ATOM 1526 C ASP A 94 48.314 76.439 2.234 1.00 0.00 C ATOM 1527 O ASP A 94 48.780 77.057 3.195 1.00 0.00 O ATOM 1528 CB ASP A 94 48.372 76.820 -0.234 1.00 0.00 C ATOM 1529 CG ASP A 94 49.879 76.988 -0.143 1.00 0.00 C ATOM 1530 OD1 ASP A 94 50.356 78.138 -0.250 1.00 0.00 O ATOM 1531 OD2 ASP A 94 50.580 75.969 0.043 1.00 0.00 O ATOM 0 H ASP A 94 48.469 79.097 0.822 1.00 0.00 H new ATOM 0 HA ASP A 94 46.614 76.887 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 94 48.140 75.788 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 94 47.988 77.447 -1.039 1.00 0.00 H new ATOM 1536 N ASN A 95 48.329 75.116 2.148 1.00 0.00 N ATOM 1537 CA ASN A 95 48.953 74.283 3.168 1.00 0.00 C ATOM 1538 C ASN A 95 49.025 72.829 2.712 1.00 0.00 C ATOM 1539 O ASN A 95 48.084 72.058 2.873 1.00 0.00 O ATOM 1540 CB ASN A 95 48.225 74.408 4.525 1.00 0.00 C ATOM 1541 CG ASN A 95 46.720 74.191 4.443 1.00 0.00 C ATOM 1542 OD1 ASN A 95 46.223 73.087 4.658 1.00 0.00 O ATOM 1543 ND2 ASN A 95 45.983 75.250 4.143 1.00 0.00 N ATOM 0 H ASN A 95 47.913 74.593 1.377 1.00 0.00 H new ATOM 0 HA ASN A 95 49.972 74.642 3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 95 48.649 73.684 5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 95 48.417 75.398 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 95 44.968 75.165 4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 95 46.430 76.150 3.971 1.00 0.00 H new ATOM 1550 N SER A 96 50.146 72.471 2.105 1.00 0.00 N ATOM 1551 CA SER A 96 50.376 71.109 1.653 1.00 0.00 C ATOM 1552 C SER A 96 51.864 70.887 1.413 1.00 0.00 C ATOM 1553 O SER A 96 52.647 71.836 1.398 1.00 0.00 O ATOM 1554 CB SER A 96 49.581 70.827 0.372 1.00 0.00 C ATOM 1555 OG SER A 96 49.817 69.510 -0.109 1.00 0.00 O ATOM 0 H SER A 96 50.916 73.112 1.913 1.00 0.00 H new ATOM 0 HA SER A 96 50.036 70.420 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 96 48.517 70.959 0.567 1.00 0.00 H new ATOM 0 HB3 SER A 96 49.857 71.550 -0.395 1.00 0.00 H new ATOM 0 HG SER A 96 49.736 68.872 0.631 1.00 0.00 H new ATOM 1561 N GLN A 97 52.248 69.631 1.242 1.00 0.00 N ATOM 1562 CA GLN A 97 53.627 69.288 0.943 1.00 0.00 C ATOM 1563 C GLN A 97 53.704 68.403 -0.291 1.00 0.00 C ATOM 1564 O GLN A 97 54.748 67.828 -0.595 1.00 0.00 O ATOM 1565 CB GLN A 97 54.309 68.595 2.129 1.00 0.00 C ATOM 1566 CG GLN A 97 53.621 67.324 2.638 1.00 0.00 C ATOM 1567 CD GLN A 97 52.423 67.598 3.534 1.00 0.00 C ATOM 1568 OE1 GLN A 97 52.579 67.844 4.729 1.00 0.00 O ATOM 1569 NE2 GLN A 97 51.219 67.481 2.994 1.00 0.00 N ATOM 0 H GLN A 97 51.619 68.830 1.306 1.00 0.00 H new ATOM 0 HA GLN A 97 54.158 70.220 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 97 55.330 68.344 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 97 54.375 69.306 2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 97 53.297 66.729 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 97 54.346 66.724 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 97 51.124 67.276 1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 97 50.387 67.596 3.573 1.00 0.00 H new ATOM 1578 N GLY A 98 52.596 68.310 -1.005 1.00 0.00 N ATOM 1579 CA GLY A 98 52.560 67.505 -2.203 1.00 0.00 C ATOM 1580 C GLY A 98 51.158 67.361 -2.740 1.00 0.00 C ATOM 1581 O GLY A 98 50.843 67.853 -3.822 1.00 0.00 O ATOM 0 H GLY A 98 51.720 68.779 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 98 53.196 67.957 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 98 52.971 66.518 -1.990 1.00 0.00 H new ATOM 1585 N GLU A 99 50.310 66.706 -1.970 1.00 0.00 N ATOM 1586 CA GLU A 99 48.934 66.480 -2.371 1.00 0.00 C ATOM 1587 C GLU A 99 48.057 67.668 -1.988 1.00 0.00 C ATOM 1588 O GLU A 99 47.543 67.754 -0.876 1.00 0.00 O ATOM 1589 CB GLU A 99 48.393 65.174 -1.766 1.00 0.00 C ATOM 1590 CG GLU A 99 49.076 64.739 -0.470 1.00 0.00 C ATOM 1591 CD GLU A 99 48.989 65.778 0.630 1.00 0.00 C ATOM 1592 OE1 GLU A 99 47.929 65.863 1.285 1.00 0.00 O ATOM 1593 OE2 GLU A 99 49.978 66.526 0.819 1.00 0.00 O ATOM 0 H GLU A 99 50.552 66.319 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 99 48.909 66.380 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 99 47.326 65.292 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 99 48.500 64.377 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 99 48.622 63.812 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 99 50.125 64.523 -0.675 1.00 0.00 H new ATOM 1600 N ASN A 100 47.907 68.599 -2.905 1.00 0.00 N ATOM 1601 CA ASN A 100 47.102 69.777 -2.648 1.00 0.00 C ATOM 1602 C ASN A 100 45.801 69.708 -3.438 1.00 0.00 C ATOM 1603 O ASN A 100 45.803 69.706 -4.665 1.00 0.00 O ATOM 1604 CB ASN A 100 47.890 71.043 -2.993 1.00 0.00 C ATOM 1605 CG ASN A 100 47.145 72.312 -2.635 1.00 0.00 C ATOM 1606 OD1 ASN A 100 47.182 72.766 -1.492 1.00 0.00 O ATOM 1607 ND2 ASN A 100 46.485 72.899 -3.614 1.00 0.00 N ATOM 0 H ASN A 100 48.330 68.565 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 100 46.853 69.812 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 100 48.844 71.026 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 100 48.114 71.047 -4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 100 45.977 73.766 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 100 46.482 72.486 -4.547 1.00 0.00 H new ATOM 1614 N CYS A 101 44.696 69.621 -2.721 1.00 0.00 N ATOM 1615 CA CYS A 101 43.379 69.531 -3.331 1.00 0.00 C ATOM 1616 C CYS A 101 42.524 70.705 -2.871 1.00 0.00 C ATOM 1617 O CYS A 101 42.571 71.086 -1.702 1.00 0.00 O ATOM 1618 CB CYS A 101 42.702 68.204 -2.956 1.00 0.00 C ATOM 1619 SG CYS A 101 43.411 66.726 -3.747 1.00 0.00 S ATOM 0 H CYS A 101 44.684 69.611 -1.701 1.00 0.00 H new ATOM 0 HA CYS A 101 43.487 69.566 -4.415 1.00 0.00 H new ATOM 0 HB2 CYS A 101 42.756 68.079 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 101 41.646 68.266 -3.218 1.00 0.00 H new ATOM 1624 N VAL A 102 41.755 71.292 -3.775 1.00 0.00 N ATOM 1625 CA VAL A 102 40.918 72.424 -3.403 1.00 0.00 C ATOM 1626 C VAL A 102 39.559 71.936 -2.913 1.00 0.00 C ATOM 1627 O VAL A 102 39.057 70.897 -3.355 1.00 0.00 O ATOM 1628 CB VAL A 102 40.716 73.436 -4.559 1.00 0.00 C ATOM 1629 CG1 VAL A 102 42.006 73.647 -5.334 1.00 0.00 C ATOM 1630 CG2 VAL A 102 39.597 73.003 -5.490 1.00 0.00 C ATOM 0 H VAL A 102 41.692 71.011 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 102 41.443 72.946 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 102 40.428 74.387 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 102 41.834 74.362 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 102 42.774 74.033 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 102 42.336 72.698 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 102 39.484 73.736 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 102 39.838 72.031 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 102 38.665 72.930 -4.929 1.00 0.00 H new ATOM 1640 N VAL A 103 38.983 72.672 -1.980 1.00 0.00 N ATOM 1641 CA VAL A 103 37.656 72.367 -1.477 1.00 0.00 C ATOM 1642 C VAL A 103 36.759 73.590 -1.557 1.00 0.00 C ATOM 1643 O VAL A 103 37.243 74.721 -1.552 1.00 0.00 O ATOM 1644 CB VAL A 103 37.691 71.874 -0.010 1.00 0.00 C ATOM 1645 CG1 VAL A 103 38.426 70.552 0.101 1.00 0.00 C ATOM 1646 CG2 VAL A 103 38.330 72.916 0.900 1.00 0.00 C ATOM 0 H VAL A 103 39.417 73.490 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 103 37.260 71.569 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 103 36.661 71.721 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 103 38.436 70.228 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 103 37.920 69.802 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 103 39.450 70.675 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 103 38.342 72.545 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 103 39.351 73.109 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 103 37.754 73.840 0.855 1.00 0.00 H new ATOM 1656 N LEU A 104 35.461 73.358 -1.640 1.00 0.00 N ATOM 1657 CA LEU A 104 34.489 74.424 -1.514 1.00 0.00 C ATOM 1658 C LEU A 104 34.250 74.678 -0.042 1.00 0.00 C ATOM 1659 O LEU A 104 33.584 73.893 0.632 1.00 0.00 O ATOM 1660 CB LEU A 104 33.167 74.062 -2.198 1.00 0.00 C ATOM 1661 CG LEU A 104 33.193 74.048 -3.722 1.00 0.00 C ATOM 1662 CD1 LEU A 104 31.820 73.676 -4.259 1.00 0.00 C ATOM 1663 CD2 LEU A 104 33.621 75.404 -4.255 1.00 0.00 C ATOM 0 H LEU A 104 35.056 72.435 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 104 34.878 75.318 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 104 32.857 73.077 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 104 32.405 74.770 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 104 33.916 73.304 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 104 31.845 73.668 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 104 31.543 72.687 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 104 31.086 74.407 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 104 33.635 75.379 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 104 32.918 76.166 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 104 34.618 75.642 -3.885 1.00 0.00 H new ATOM 1675 N VAL A 105 34.837 75.742 0.463 1.00 0.00 N ATOM 1676 CA VAL A 105 34.748 76.051 1.874 1.00 0.00 C ATOM 1677 C VAL A 105 33.867 77.273 2.106 1.00 0.00 C ATOM 1678 O VAL A 105 33.867 78.219 1.305 1.00 0.00 O ATOM 1679 CB VAL A 105 36.150 76.282 2.487 1.00 0.00 C ATOM 1680 CG1 VAL A 105 36.820 77.501 1.875 1.00 0.00 C ATOM 1681 CG2 VAL A 105 36.073 76.408 4.003 1.00 0.00 C ATOM 0 H VAL A 105 35.382 76.409 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 105 34.295 75.193 2.370 1.00 0.00 H new ATOM 0 HB VAL A 105 36.761 75.410 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 105 37.803 77.640 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 105 36.929 77.355 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 105 36.209 78.384 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 105 37.073 76.570 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 105 35.435 77.252 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 105 35.656 75.493 4.423 1.00 0.00 H new ATOM 1691 N TYR A 106 33.098 77.222 3.183 1.00 0.00 N ATOM 1692 CA TYR A 106 32.286 78.344 3.606 1.00 0.00 C ATOM 1693 C TYR A 106 33.073 79.210 4.581 1.00 0.00 C ATOM 1694 O TYR A 106 33.414 78.774 5.678 1.00 0.00 O ATOM 1695 CB TYR A 106 30.998 77.846 4.266 1.00 0.00 C ATOM 1696 CG TYR A 106 30.120 78.954 4.804 1.00 0.00 C ATOM 1697 CD1 TYR A 106 29.295 79.681 3.960 1.00 0.00 C ATOM 1698 CD2 TYR A 106 30.114 79.269 6.158 1.00 0.00 C ATOM 1699 CE1 TYR A 106 28.494 80.689 4.445 1.00 0.00 C ATOM 1700 CE2 TYR A 106 29.308 80.276 6.651 1.00 0.00 C ATOM 1701 CZ TYR A 106 28.501 80.984 5.790 1.00 0.00 C ATOM 1702 OH TYR A 106 27.688 81.982 6.275 1.00 0.00 O ATOM 0 H TYR A 106 33.022 76.402 3.785 1.00 0.00 H new ATOM 0 HA TYR A 106 32.022 78.940 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 106 30.430 77.265 3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 106 31.256 77.171 5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 106 29.281 79.452 2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 106 30.750 78.717 6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 106 27.861 81.248 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 106 29.311 80.507 7.706 1.00 0.00 H new ATOM 0 HH TYR A 106 27.812 82.063 7.244 1.00 0.00 H new ATOM 1712 N ASN A 107 33.374 80.429 4.172 1.00 0.00 N ATOM 1713 CA ASN A 107 34.119 81.348 5.019 1.00 0.00 C ATOM 1714 C ASN A 107 33.742 82.783 4.689 1.00 0.00 C ATOM 1715 O ASN A 107 33.859 83.213 3.540 1.00 0.00 O ATOM 1716 CB ASN A 107 35.627 81.132 4.851 1.00 0.00 C ATOM 1717 CG ASN A 107 36.455 82.072 5.707 1.00 0.00 C ATOM 1718 OD1 ASN A 107 36.806 83.171 5.280 1.00 0.00 O ATOM 1719 ND2 ASN A 107 36.780 81.643 6.918 1.00 0.00 N ATOM 0 H ASN A 107 33.115 80.807 3.261 1.00 0.00 H new ATOM 0 HA ASN A 107 33.863 81.151 6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 107 35.873 80.102 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 107 35.895 81.271 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 107 37.341 82.231 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 107 36.469 80.725 7.234 1.00 0.00 H new ATOM 1726 N GLN A 108 33.270 83.500 5.708 1.00 0.00 N ATOM 1727 CA GLN A 108 32.798 84.875 5.561 1.00 0.00 C ATOM 1728 C GLN A 108 31.622 84.921 4.602 1.00 0.00 C ATOM 1729 O GLN A 108 31.588 85.729 3.677 1.00 0.00 O ATOM 1730 CB GLN A 108 33.920 85.811 5.102 1.00 0.00 C ATOM 1731 CG GLN A 108 35.020 85.986 6.136 1.00 0.00 C ATOM 1732 CD GLN A 108 36.014 87.064 5.754 1.00 0.00 C ATOM 1733 OE1 GLN A 108 37.015 86.799 5.092 1.00 0.00 O ATOM 1734 NE2 GLN A 108 35.745 88.290 6.174 1.00 0.00 N ATOM 0 H GLN A 108 33.204 83.142 6.661 1.00 0.00 H new ATOM 0 HA GLN A 108 32.468 85.227 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 108 34.355 85.421 4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 108 33.495 86.787 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.572 86.234 7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 108 35.547 85.040 6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 108 34.903 88.468 6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 108 36.380 89.057 5.950 1.00 0.00 H new ATOM 1743 N ASP A 109 30.682 84.002 4.838 1.00 0.00 N ATOM 1744 CA ASP A 109 29.436 83.881 4.070 1.00 0.00 C ATOM 1745 C ASP A 109 29.677 83.298 2.681 1.00 0.00 C ATOM 1746 O ASP A 109 28.815 82.619 2.127 1.00 0.00 O ATOM 1747 CB ASP A 109 28.708 85.227 3.951 1.00 0.00 C ATOM 1748 CG ASP A 109 27.286 85.070 3.437 1.00 0.00 C ATOM 1749 OD1 ASP A 109 27.083 85.028 2.204 1.00 0.00 O ATOM 1750 OD2 ASP A 109 26.363 84.961 4.271 1.00 0.00 O ATOM 0 H ASP A 109 30.765 83.308 5.581 1.00 0.00 H new ATOM 0 HA ASP A 109 28.800 83.192 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 109 28.688 85.714 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 109 29.265 85.881 3.279 1.00 0.00 H new ATOM 1755 N LYS A 110 30.858 83.512 2.131 1.00 0.00 N ATOM 1756 CA LYS A 110 31.088 83.144 0.750 1.00 0.00 C ATOM 1757 C LYS A 110 31.777 81.792 0.617 1.00 0.00 C ATOM 1758 O LYS A 110 32.789 81.508 1.273 1.00 0.00 O ATOM 1759 CB LYS A 110 31.881 84.231 0.004 1.00 0.00 C ATOM 1760 CG LYS A 110 33.352 84.323 0.388 1.00 0.00 C ATOM 1761 CD LYS A 110 34.043 85.496 -0.301 1.00 0.00 C ATOM 1762 CE LYS A 110 33.950 85.411 -1.822 1.00 0.00 C ATOM 1763 NZ LYS A 110 34.737 84.276 -2.383 1.00 0.00 N ATOM 0 H LYS A 110 31.656 83.930 2.609 1.00 0.00 H new ATOM 0 HA LYS A 110 30.106 83.055 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 110 31.810 84.042 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 110 31.410 85.196 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 110 33.440 84.433 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 110 33.857 83.395 0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 110 33.593 86.429 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 110 35.091 85.522 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 110 32.905 85.302 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 110 34.306 86.345 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 34.559 84.202 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 35.751 84.442 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 34.451 83.391 -1.917 1.00 0.00 H new ATOM 1777 N TRP A 111 31.197 80.961 -0.231 1.00 0.00 N ATOM 1778 CA TRP A 111 31.802 79.706 -0.635 1.00 0.00 C ATOM 1779 C TRP A 111 32.853 79.970 -1.693 1.00 0.00 C ATOM 1780 O TRP A 111 32.728 80.932 -2.460 1.00 0.00 O ATOM 1781 CB TRP A 111 30.750 78.766 -1.215 1.00 0.00 C ATOM 1782 CG TRP A 111 29.786 78.228 -0.209 1.00 0.00 C ATOM 1783 CD1 TRP A 111 28.619 78.800 0.208 1.00 0.00 C ATOM 1784 CD2 TRP A 111 29.907 76.994 0.496 1.00 0.00 C ATOM 1785 NE1 TRP A 111 28.005 77.987 1.128 1.00 0.00 N ATOM 1786 CE2 TRP A 111 28.779 76.874 1.324 1.00 0.00 C ATOM 1787 CE3 TRP A 111 30.862 75.976 0.507 1.00 0.00 C ATOM 1788 CZ2 TRP A 111 28.580 75.778 2.151 1.00 0.00 C ATOM 1789 CZ3 TRP A 111 30.663 74.888 1.330 1.00 0.00 C ATOM 1790 CH2 TRP A 111 29.530 74.797 2.143 1.00 0.00 C ATOM 0 H TRP A 111 30.289 81.139 -0.660 1.00 0.00 H new ATOM 0 HA TRP A 111 32.254 79.242 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 111 30.193 79.295 -1.988 1.00 0.00 H new ATOM 0 HB3 TRP A 111 31.254 77.931 -1.701 1.00 0.00 H new ATOM 0 HD1 TRP A 111 28.236 79.750 -0.135 1.00 0.00 H new ATOM 0 HE1 TRP A 111 27.117 78.180 1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 111 31.741 76.040 -0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 27.705 75.703 2.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 31.394 74.093 1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 111 29.403 73.933 2.778 1.00 0.00 H new ATOM 1801 N ALA A 112 33.891 79.145 -1.720 1.00 0.00 N ATOM 1802 CA ALA A 112 34.893 79.214 -2.778 1.00 0.00 C ATOM 1803 C ALA A 112 35.932 78.119 -2.616 1.00 0.00 C ATOM 1804 O ALA A 112 35.896 77.360 -1.646 1.00 0.00 O ATOM 1805 CB ALA A 112 35.570 80.571 -2.793 1.00 0.00 C ATOM 0 H ALA A 112 34.062 78.420 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 112 34.380 79.068 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 112 36.313 80.598 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 112 34.825 81.348 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 112 36.060 80.744 -1.835 1.00 0.00 H new ATOM 1811 N TRP A 113 36.858 78.058 -3.564 1.00 0.00 N ATOM 1812 CA TRP A 113 37.899 77.042 -3.567 1.00 0.00 C ATOM 1813 C TRP A 113 38.998 77.421 -2.581 1.00 0.00 C ATOM 1814 O TRP A 113 39.420 78.579 -2.525 1.00 0.00 O ATOM 1815 CB TRP A 113 38.503 76.883 -4.974 1.00 0.00 C ATOM 1816 CG TRP A 113 37.504 76.607 -6.073 1.00 0.00 C ATOM 1817 CD1 TRP A 113 36.148 76.767 -6.028 1.00 0.00 C ATOM 1818 CD2 TRP A 113 37.802 76.140 -7.395 1.00 0.00 C ATOM 1819 NE1 TRP A 113 35.587 76.430 -7.235 1.00 0.00 N ATOM 1820 CE2 TRP A 113 36.580 76.041 -8.090 1.00 0.00 C ATOM 1821 CE3 TRP A 113 38.982 75.796 -8.058 1.00 0.00 C ATOM 1822 CZ2 TRP A 113 36.509 75.615 -9.413 1.00 0.00 C ATOM 1823 CZ3 TRP A 113 38.907 75.372 -9.371 1.00 0.00 C ATOM 1824 CH2 TRP A 113 37.679 75.288 -10.036 1.00 0.00 C ATOM 0 H TRP A 113 36.908 78.708 -4.348 1.00 0.00 H new ATOM 0 HA TRP A 113 37.452 76.094 -3.269 1.00 0.00 H new ATOM 0 HB2 TRP A 113 39.051 77.792 -5.222 1.00 0.00 H new ATOM 0 HB3 TRP A 113 39.229 76.070 -4.951 1.00 0.00 H new ATOM 0 HD1 TRP A 113 35.596 77.110 -5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 113 34.592 76.464 -7.457 1.00 0.00 H new ATOM 0 HE3 TRP A 113 39.935 75.860 -7.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 35.562 75.546 -9.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 39.813 75.101 -9.893 1.00 0.00 H new ATOM 0 HH2 TRP A 113 37.656 74.957 -11.064 1.00 0.00 H new ATOM 1835 N ASN A 114 39.433 76.454 -1.789 1.00 0.00 N ATOM 1836 CA ASN A 114 40.529 76.661 -0.848 1.00 0.00 C ATOM 1837 C ASN A 114 41.480 75.476 -0.899 1.00 0.00 C ATOM 1838 O ASN A 114 41.036 74.327 -0.948 1.00 0.00 O ATOM 1839 CB ASN A 114 39.994 76.826 0.576 1.00 0.00 C ATOM 1840 CG ASN A 114 41.033 77.392 1.528 1.00 0.00 C ATOM 1841 OD1 ASN A 114 41.107 78.601 1.724 1.00 0.00 O ATOM 1842 ND2 ASN A 114 41.845 76.527 2.119 1.00 0.00 N ATOM 0 H ASN A 114 39.043 75.512 -1.777 1.00 0.00 H new ATOM 0 HA ASN A 114 41.060 77.570 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 114 39.125 77.484 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 114 39.655 75.859 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 114 42.563 76.859 2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 114 41.752 75.529 1.930 1.00 0.00 H new ATOM 1849 N ASP A 115 42.772 75.756 -0.880 1.00 0.00 N ATOM 1850 CA ASP A 115 43.787 74.715 -0.974 1.00 0.00 C ATOM 1851 C ASP A 115 44.000 74.026 0.367 1.00 0.00 C ATOM 1852 O ASP A 115 44.264 74.676 1.381 1.00 0.00 O ATOM 1853 CB ASP A 115 45.103 75.307 -1.471 1.00 0.00 C ATOM 1854 CG ASP A 115 44.971 75.913 -2.850 1.00 0.00 C ATOM 1855 OD1 ASP A 115 45.139 75.172 -3.842 1.00 0.00 O ATOM 1856 OD2 ASP A 115 44.682 77.122 -2.943 1.00 0.00 O ATOM 0 H ASP A 115 43.147 76.701 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 115 43.436 73.968 -1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 115 45.443 76.070 -0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 115 45.866 74.529 -1.489 1.00 0.00 H new ATOM 1861 N VAL A 116 43.864 72.706 0.362 1.00 0.00 N ATOM 1862 CA VAL A 116 44.082 71.884 1.548 1.00 0.00 C ATOM 1863 C VAL A 116 44.722 70.558 1.143 1.00 0.00 C ATOM 1864 O VAL A 116 44.664 70.175 -0.027 1.00 0.00 O ATOM 1865 CB VAL A 116 42.768 71.591 2.320 1.00 0.00 C ATOM 1866 CG1 VAL A 116 42.191 72.858 2.933 1.00 0.00 C ATOM 1867 CG2 VAL A 116 41.745 70.920 1.418 1.00 0.00 C ATOM 0 H VAL A 116 43.599 72.173 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 116 44.740 72.447 2.210 1.00 0.00 H new ATOM 0 HB VAL A 116 43.011 70.906 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 116 41.271 72.618 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 116 42.912 73.287 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 116 41.975 73.578 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 116 40.834 70.726 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 116 41.517 71.574 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 116 42.149 69.978 1.047 1.00 0.00 H new ATOM 1877 N PRO A 117 45.363 69.850 2.087 1.00 0.00 N ATOM 1878 CA PRO A 117 45.926 68.526 1.818 1.00 0.00 C ATOM 1879 C PRO A 117 44.853 67.552 1.344 1.00 0.00 C ATOM 1880 O PRO A 117 43.727 67.560 1.846 1.00 0.00 O ATOM 1881 CB PRO A 117 46.501 68.084 3.171 1.00 0.00 C ATOM 1882 CG PRO A 117 45.872 68.980 4.184 1.00 0.00 C ATOM 1883 CD PRO A 117 45.584 70.272 3.477 1.00 0.00 C ATOM 0 HA PRO A 117 46.675 68.549 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 117 46.268 67.039 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 117 47.587 68.177 3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 117 44.956 68.539 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 117 46.540 69.140 5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 117 44.708 70.771 3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 117 46.417 70.970 3.559 1.00 0.00 H new ATOM 1891 N CYS A 118 45.193 66.715 0.374 1.00 0.00 N ATOM 1892 CA CYS A 118 44.227 65.783 -0.190 1.00 0.00 C ATOM 1893 C CYS A 118 43.919 64.667 0.803 1.00 0.00 C ATOM 1894 O CYS A 118 42.853 64.046 0.746 1.00 0.00 O ATOM 1895 CB CYS A 118 44.734 65.202 -1.511 1.00 0.00 C ATOM 1896 SG CYS A 118 45.147 66.456 -2.758 1.00 0.00 S ATOM 0 H CYS A 118 46.125 66.662 -0.037 1.00 0.00 H new ATOM 0 HA CYS A 118 43.306 66.330 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 118 45.618 64.595 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 118 43.974 64.535 -1.919 1.00 0.00 H new ATOM 1901 N ASN A 119 44.847 64.421 1.721 1.00 0.00 N ATOM 1902 CA ASN A 119 44.614 63.467 2.797 1.00 0.00 C ATOM 1903 C ASN A 119 44.108 64.189 4.044 1.00 0.00 C ATOM 1904 O ASN A 119 44.671 64.069 5.128 1.00 0.00 O ATOM 1905 CB ASN A 119 45.873 62.627 3.096 1.00 0.00 C ATOM 1906 CG ASN A 119 47.155 63.435 3.251 1.00 0.00 C ATOM 1907 OD1 ASN A 119 47.084 64.584 3.905 1.00 0.00 O flip ATOM 1908 ND2 ASN A 119 48.219 62.997 2.817 1.00 0.00 N flip ATOM 0 H ASN A 119 45.764 64.867 1.741 1.00 0.00 H new ATOM 0 HA ASN A 119 43.842 62.769 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 119 45.705 62.058 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 119 46.010 61.904 2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 119 48.239 62.108 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 119 49.082 63.523 2.957 1.00 0.00 H new ATOM 1915 N PHE A 120 43.052 64.964 3.854 1.00 0.00 N ATOM 1916 CA PHE A 120 42.390 65.667 4.941 1.00 0.00 C ATOM 1917 C PHE A 120 40.920 65.278 4.970 1.00 0.00 C ATOM 1918 O PHE A 120 40.237 65.365 3.950 1.00 0.00 O ATOM 1919 CB PHE A 120 42.541 67.183 4.754 1.00 0.00 C ATOM 1920 CG PHE A 120 41.729 68.014 5.711 1.00 0.00 C ATOM 1921 CD1 PHE A 120 42.070 68.089 7.051 1.00 0.00 C ATOM 1922 CD2 PHE A 120 40.623 68.725 5.264 1.00 0.00 C ATOM 1923 CE1 PHE A 120 41.326 68.854 7.928 1.00 0.00 C ATOM 1924 CE2 PHE A 120 39.875 69.492 6.136 1.00 0.00 C ATOM 1925 CZ PHE A 120 40.226 69.557 7.471 1.00 0.00 C ATOM 0 H PHE A 120 42.629 65.123 2.940 1.00 0.00 H new ATOM 0 HA PHE A 120 42.850 65.390 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 120 43.593 67.447 4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 120 42.254 67.441 3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 120 42.928 67.543 7.415 1.00 0.00 H new ATOM 0 HD2 PHE A 120 40.344 68.678 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 120 41.603 68.903 8.971 1.00 0.00 H new ATOM 0 HE2 PHE A 120 39.017 70.040 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 120 39.643 70.155 8.156 1.00 0.00 H new ATOM 1935 N GLU A 121 40.449 64.814 6.115 1.00 0.00 N ATOM 1936 CA GLU A 121 39.059 64.415 6.260 1.00 0.00 C ATOM 1937 C GLU A 121 38.133 65.626 6.192 1.00 0.00 C ATOM 1938 O GLU A 121 38.083 66.439 7.117 1.00 0.00 O ATOM 1939 CB GLU A 121 38.835 63.678 7.586 1.00 0.00 C ATOM 1940 CG GLU A 121 39.786 62.517 7.827 1.00 0.00 C ATOM 1941 CD GLU A 121 41.091 62.955 8.468 1.00 0.00 C ATOM 1942 OE1 GLU A 121 41.997 63.402 7.731 1.00 0.00 O ATOM 1943 OE2 GLU A 121 41.202 62.867 9.706 1.00 0.00 O ATOM 0 H GLU A 121 41.010 64.704 6.960 1.00 0.00 H new ATOM 0 HA GLU A 121 38.826 63.742 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 121 38.935 64.390 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 121 37.811 63.305 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 121 39.300 61.781 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 121 39.999 62.024 6.879 1.00 0.00 H new ATOM 1950 N ALA A 122 37.389 65.730 5.105 1.00 0.00 N ATOM 1951 CA ALA A 122 36.428 66.807 4.935 1.00 0.00 C ATOM 1952 C ALA A 122 35.186 66.285 4.233 1.00 0.00 C ATOM 1953 O ALA A 122 35.095 65.097 3.933 1.00 0.00 O ATOM 1954 CB ALA A 122 37.042 67.959 4.152 1.00 0.00 C ATOM 0 H ALA A 122 37.432 65.078 4.322 1.00 0.00 H new ATOM 0 HA ALA A 122 36.145 67.182 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 122 36.305 68.754 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 122 37.909 68.343 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 122 37.352 67.606 3.168 1.00 0.00 H new ATOM 1960 N SER A 123 34.238 67.167 3.972 1.00 0.00 N ATOM 1961 CA SER A 123 33.004 66.779 3.315 1.00 0.00 C ATOM 1962 C SER A 123 33.216 66.674 1.806 1.00 0.00 C ATOM 1963 O SER A 123 34.271 67.053 1.288 1.00 0.00 O ATOM 1964 CB SER A 123 31.906 67.783 3.648 1.00 0.00 C ATOM 1965 OG SER A 123 31.733 67.890 5.051 1.00 0.00 O ATOM 0 H SER A 123 34.300 68.158 4.206 1.00 0.00 H new ATOM 0 HA SER A 123 32.696 65.798 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 123 32.160 68.758 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 123 30.970 67.473 3.184 1.00 0.00 H new ATOM 0 HG SER A 123 32.512 68.337 5.444 1.00 0.00 H new ATOM 1971 N ARG A 124 32.218 66.175 1.094 1.00 0.00 N ATOM 1972 CA ARG A 124 32.391 65.859 -0.314 1.00 0.00 C ATOM 1973 C ARG A 124 31.095 66.018 -1.101 1.00 0.00 C ATOM 1974 O ARG A 124 30.000 65.827 -0.570 1.00 0.00 O ATOM 1975 CB ARG A 124 32.904 64.427 -0.443 1.00 0.00 C ATOM 1976 CG ARG A 124 32.126 63.444 0.417 1.00 0.00 C ATOM 1977 CD ARG A 124 32.675 62.038 0.306 1.00 0.00 C ATOM 1978 NE ARG A 124 32.031 61.133 1.253 1.00 0.00 N ATOM 1979 CZ ARG A 124 31.561 59.934 0.933 1.00 0.00 C ATOM 1980 NH1 ARG A 124 31.570 59.525 -0.330 1.00 0.00 N ATOM 1981 NH2 ARG A 124 31.062 59.150 1.876 1.00 0.00 N ATOM 0 H ARG A 124 31.287 65.982 1.464 1.00 0.00 H new ATOM 0 HA ARG A 124 33.112 66.561 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 124 32.844 64.117 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 124 33.956 64.396 -0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 124 32.161 63.766 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 124 31.078 63.449 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 124 32.528 61.668 -0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 124 33.750 62.051 0.488 1.00 0.00 H new ATOM 0 HE ARG A 124 31.936 61.441 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 124 31.940 60.133 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 124 31.207 58.602 -0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 124 31.040 59.468 2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 124 30.700 58.228 1.634 1.00 0.00 H new ATOM 1995 N ILE A 125 31.233 66.382 -2.367 1.00 0.00 N ATOM 1996 CA ILE A 125 30.103 66.445 -3.280 1.00 0.00 C ATOM 1997 C ILE A 125 30.344 65.491 -4.436 1.00 0.00 C ATOM 1998 O ILE A 125 31.346 65.611 -5.142 1.00 0.00 O ATOM 1999 CB ILE A 125 29.901 67.855 -3.873 1.00 0.00 C ATOM 2000 CG1 ILE A 125 29.994 68.929 -2.795 1.00 0.00 C ATOM 2001 CG2 ILE A 125 28.553 67.937 -4.578 1.00 0.00 C ATOM 2002 CD1 ILE A 125 30.054 70.334 -3.356 1.00 0.00 C ATOM 0 H ILE A 125 32.125 66.640 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 125 29.214 66.178 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 125 30.697 68.034 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 125 29.132 68.846 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 125 30.881 68.749 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 125 28.420 68.936 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 125 28.518 67.202 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 125 27.756 67.732 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 125 30.119 71.050 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 125 30.931 70.433 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 125 29.155 70.531 -3.940 1.00 0.00 H new ATOM 2014 N CYS A 126 29.450 64.543 -4.632 1.00 0.00 N ATOM 2015 CA CYS A 126 29.574 63.635 -5.753 1.00 0.00 C ATOM 2016 C CYS A 126 28.448 63.875 -6.748 1.00 0.00 C ATOM 2017 O CYS A 126 27.268 63.886 -6.389 1.00 0.00 O ATOM 2018 CB CYS A 126 29.619 62.186 -5.266 1.00 0.00 C ATOM 2019 SG CYS A 126 31.126 61.807 -4.320 1.00 0.00 S ATOM 0 H CYS A 126 28.638 64.382 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 126 30.514 63.827 -6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 126 28.746 61.989 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 126 29.556 61.517 -6.124 1.00 0.00 H new ATOM 2024 N LYS A 127 28.831 64.096 -7.997 1.00 0.00 N ATOM 2025 CA LYS A 127 27.895 64.473 -9.034 1.00 0.00 C ATOM 2026 C LYS A 127 27.756 63.353 -10.060 1.00 0.00 C ATOM 2027 O LYS A 127 28.742 62.873 -10.617 1.00 0.00 O ATOM 2028 CB LYS A 127 28.343 65.796 -9.689 1.00 0.00 C ATOM 2029 CG LYS A 127 29.642 65.733 -10.489 1.00 0.00 C ATOM 2030 CD LYS A 127 29.386 65.697 -11.994 1.00 0.00 C ATOM 2031 CE LYS A 127 28.642 66.936 -12.484 1.00 0.00 C ATOM 2032 NZ LYS A 127 29.439 68.190 -12.316 1.00 0.00 N ATOM 0 H LYS A 127 29.797 64.018 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 127 26.912 64.633 -8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 127 27.547 66.140 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 127 28.456 66.547 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 127 30.259 66.598 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 127 30.206 64.847 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 127 30.337 65.615 -12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 127 28.807 64.807 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 127 28.388 66.810 -13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 127 27.703 67.031 -11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 28.917 68.855 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 30.353 67.964 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 29.602 68.625 -13.246 1.00 0.00 H new ATOM 2046 N ILE A 128 26.530 62.922 -10.278 1.00 0.00 N ATOM 2047 CA ILE A 128 26.252 61.835 -11.201 1.00 0.00 C ATOM 2048 C ILE A 128 25.611 62.385 -12.474 1.00 0.00 C ATOM 2049 O ILE A 128 24.886 63.385 -12.425 1.00 0.00 O ATOM 2050 CB ILE A 128 25.324 60.777 -10.539 1.00 0.00 C ATOM 2051 CG1 ILE A 128 25.221 59.513 -11.393 1.00 0.00 C ATOM 2052 CG2 ILE A 128 23.938 61.351 -10.288 1.00 0.00 C ATOM 2053 CD1 ILE A 128 24.464 58.389 -10.719 1.00 0.00 C ATOM 0 H ILE A 128 25.703 63.310 -9.825 1.00 0.00 H new ATOM 0 HA ILE A 128 27.192 61.348 -11.460 1.00 0.00 H new ATOM 0 HB ILE A 128 25.770 60.507 -9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 128 24.729 59.759 -12.334 1.00 0.00 H new ATOM 0 HG13 ILE A 128 26.225 59.168 -11.639 1.00 0.00 H new ATOM 0 HG21 ILE A 128 23.308 60.592 -9.825 1.00 0.00 H new ATOM 0 HG22 ILE A 128 24.016 62.212 -9.625 1.00 0.00 H new ATOM 0 HG23 ILE A 128 23.496 61.661 -11.235 1.00 0.00 H new ATOM 0 HD11 ILE A 128 24.430 57.524 -11.382 1.00 0.00 H new ATOM 0 HD12 ILE A 128 24.968 58.116 -9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 128 23.448 58.716 -10.497 1.00 0.00 H new ATOM 2065 N PRO A 129 25.931 61.794 -13.640 1.00 0.00 N ATOM 2066 CA PRO A 129 25.265 62.119 -14.903 1.00 0.00 C ATOM 2067 C PRO A 129 23.756 61.965 -14.821 1.00 0.00 C ATOM 2068 O PRO A 129 23.229 61.367 -13.882 1.00 0.00 O ATOM 2069 CB PRO A 129 25.821 61.093 -15.898 1.00 0.00 C ATOM 2070 CG PRO A 129 26.577 60.095 -15.085 1.00 0.00 C ATOM 2071 CD PRO A 129 26.995 60.800 -13.829 1.00 0.00 C ATOM 0 HA PRO A 129 25.449 63.156 -15.183 1.00 0.00 H new ATOM 0 HB2 PRO A 129 25.015 60.613 -16.454 1.00 0.00 H new ATOM 0 HB3 PRO A 129 26.471 61.572 -16.630 1.00 0.00 H new ATOM 0 HG2 PRO A 129 25.955 59.230 -14.856 1.00 0.00 H new ATOM 0 HG3 PRO A 129 27.446 59.727 -15.631 1.00 0.00 H new ATOM 0 HD2 PRO A 129 27.062 60.114 -12.984 1.00 0.00 H new ATOM 0 HD3 PRO A 129 27.973 61.270 -13.936 1.00 0.00 H new ATOM 2079 N GLY A 130 23.065 62.507 -15.812 1.00 0.00 N ATOM 2080 CA GLY A 130 21.640 62.308 -15.912 1.00 0.00 C ATOM 2081 C GLY A 130 21.297 60.852 -16.153 1.00 0.00 C ATOM 2082 O GLY A 130 21.211 60.408 -17.297 1.00 0.00 O ATOM 0 H GLY A 130 23.470 63.083 -16.550 1.00 0.00 H new ATOM 0 HA2 GLY A 130 21.159 62.649 -14.995 1.00 0.00 H new ATOM 0 HA3 GLY A 130 21.243 62.916 -16.725 1.00 0.00 H new ATOM 2086 N THR A 131 21.108 60.109 -15.067 1.00 0.00 N ATOM 2087 CA THR A 131 20.732 58.696 -15.126 1.00 0.00 C ATOM 2088 C THR A 131 19.387 58.475 -15.820 1.00 0.00 C ATOM 2089 O THR A 131 18.912 57.345 -15.928 1.00 0.00 O ATOM 2090 CB THR A 131 20.669 58.089 -13.714 1.00 0.00 C ATOM 2091 OG1 THR A 131 19.988 58.985 -12.825 1.00 0.00 O ATOM 2092 CG2 THR A 131 22.064 57.802 -13.186 1.00 0.00 C ATOM 0 H THR A 131 21.211 60.468 -14.118 1.00 0.00 H new ATOM 0 HA THR A 131 21.504 58.199 -15.713 1.00 0.00 H new ATOM 0 HB THR A 131 20.120 57.149 -13.770 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.071 59.126 -13.142 1.00 0.00 H new ATOM 0 HG21 THR A 131 21.994 57.373 -12.186 1.00 0.00 H new ATOM 0 HG22 THR A 131 22.566 57.097 -13.849 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.635 58.730 -13.144 1.00 0.00 H new ATOM 2100 N THR A 132 18.792 59.551 -16.308 1.00 0.00 N ATOM 2101 CA THR A 132 17.525 59.479 -17.005 1.00 0.00 C ATOM 2102 C THR A 132 17.716 58.918 -18.409 1.00 0.00 C ATOM 2103 O THR A 132 16.751 58.712 -19.137 1.00 0.00 O ATOM 2104 CB THR A 132 16.851 60.863 -17.080 1.00 0.00 C ATOM 2105 OG1 THR A 132 15.529 60.749 -17.617 1.00 0.00 O ATOM 2106 CG2 THR A 132 17.667 61.825 -17.927 1.00 0.00 C ATOM 0 H THR A 132 19.174 60.494 -16.231 1.00 0.00 H new ATOM 0 HA THR A 132 16.875 58.810 -16.441 1.00 0.00 H new ATOM 0 HB THR A 132 16.793 61.258 -16.066 1.00 0.00 H new ATOM 0 HG1 THR A 132 15.487 59.979 -18.222 1.00 0.00 H new ATOM 0 HG21 THR A 132 17.167 62.793 -17.962 1.00 0.00 H new ATOM 0 HG22 THR A 132 18.658 61.944 -17.490 1.00 0.00 H new ATOM 0 HG23 THR A 132 17.762 61.429 -18.938 1.00 0.00 H new ATOM 2114 N LEU A 133 18.970 58.701 -18.782 1.00 0.00 N ATOM 2115 CA LEU A 133 19.293 58.042 -20.039 1.00 0.00 C ATOM 2116 C LEU A 133 19.268 56.532 -19.848 1.00 0.00 C ATOM 2117 O LEU A 133 19.051 55.777 -20.790 1.00 0.00 O ATOM 2118 CB LEU A 133 20.672 58.481 -20.543 1.00 0.00 C ATOM 2119 CG LEU A 133 20.729 59.838 -21.258 1.00 0.00 C ATOM 2120 CD1 LEU A 133 20.277 60.971 -20.348 1.00 0.00 C ATOM 2121 CD2 LEU A 133 22.136 60.100 -21.757 1.00 0.00 C ATOM 0 H LEU A 133 19.783 58.973 -18.229 1.00 0.00 H new ATOM 0 HA LEU A 133 18.548 58.327 -20.782 1.00 0.00 H new ATOM 0 HB2 LEU A 133 21.354 58.512 -19.693 1.00 0.00 H new ATOM 0 HB3 LEU A 133 21.047 57.718 -21.225 1.00 0.00 H new ATOM 0 HG LEU A 133 20.044 59.800 -22.105 1.00 0.00 H new ATOM 0 HD11 LEU A 133 20.331 61.916 -20.889 1.00 0.00 H new ATOM 0 HD12 LEU A 133 19.250 60.794 -20.029 1.00 0.00 H new ATOM 0 HD13 LEU A 133 20.926 61.016 -19.473 1.00 0.00 H new ATOM 0 HD21 LEU A 133 22.169 61.065 -22.263 1.00 0.00 H new ATOM 0 HD22 LEU A 133 22.826 60.110 -20.913 1.00 0.00 H new ATOM 0 HD23 LEU A 133 22.427 59.314 -22.454 1.00 0.00 H new ATOM 2133 N ASN A 134 19.514 56.106 -18.616 1.00 0.00 N ATOM 2134 CA ASN A 134 19.468 54.693 -18.270 1.00 0.00 C ATOM 2135 C ASN A 134 18.058 54.300 -17.851 1.00 0.00 C ATOM 2136 O ASN A 134 17.506 53.310 -18.315 1.00 0.00 O ATOM 2137 CB ASN A 134 20.444 54.384 -17.130 1.00 0.00 C ATOM 2138 CG ASN A 134 21.888 54.701 -17.476 1.00 0.00 C ATOM 2139 OD1 ASN A 134 22.290 54.656 -18.634 1.00 0.00 O ATOM 2140 ND2 ASN A 134 22.683 55.018 -16.463 1.00 0.00 N ATOM 0 H ASN A 134 19.748 56.722 -17.838 1.00 0.00 H new ATOM 0 HA ASN A 134 19.758 54.118 -19.149 1.00 0.00 H new ATOM 0 HB2 ASN A 134 20.155 54.955 -16.248 1.00 0.00 H new ATOM 0 HB3 ASN A 134 20.363 53.329 -16.867 1.00 0.00 H new ATOM 0 HD21 ASN A 134 23.665 55.235 -16.634 1.00 0.00 H new ATOM 0 HD22 ASN A 134 22.312 55.045 -15.513 1.00 0.00 H new ATOM 2147 N ALA A 135 17.497 55.078 -16.936 1.00 0.00 N ATOM 2148 CA ALA A 135 16.173 54.810 -16.392 1.00 0.00 C ATOM 2149 C ALA A 135 15.070 55.537 -17.162 1.00 0.00 C ATOM 2150 O ALA A 135 14.077 55.954 -16.568 1.00 0.00 O ATOM 2151 CB ALA A 135 16.133 55.207 -14.926 1.00 0.00 C ATOM 0 H ALA A 135 17.945 55.910 -16.551 1.00 0.00 H new ATOM 0 HA ALA A 135 15.986 53.741 -16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 135 15.141 55.005 -14.521 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.875 54.631 -14.373 1.00 0.00 H new ATOM 0 HB3 ALA A 135 16.355 56.270 -14.831 1.00 0.00 H new ATOM 2157 N GLU A 136 15.222 55.670 -18.472 1.00 0.00 N ATOM 2158 CA GLU A 136 14.244 56.411 -19.268 1.00 0.00 C ATOM 2159 C GLU A 136 12.933 55.630 -19.414 1.00 0.00 C ATOM 2160 O GLU A 136 11.905 56.022 -18.861 1.00 0.00 O ATOM 2161 CB GLU A 136 14.817 56.795 -20.648 1.00 0.00 C ATOM 2162 CG GLU A 136 15.942 55.896 -21.162 1.00 0.00 C ATOM 2163 CD GLU A 136 15.496 54.478 -21.439 1.00 0.00 C ATOM 2164 OE1 GLU A 136 15.505 53.661 -20.497 1.00 0.00 O ATOM 2165 OE2 GLU A 136 15.079 54.187 -22.575 1.00 0.00 O ATOM 0 H GLU A 136 16.001 55.282 -19.004 1.00 0.00 H new ATOM 0 HA GLU A 136 14.022 57.334 -18.732 1.00 0.00 H new ATOM 0 HB2 GLU A 136 14.005 56.785 -21.375 1.00 0.00 H new ATOM 0 HB3 GLU A 136 15.187 57.819 -20.597 1.00 0.00 H new ATOM 0 HG2 GLU A 136 16.352 56.326 -22.076 1.00 0.00 H new ATOM 0 HG3 GLU A 136 16.748 55.879 -20.428 1.00 0.00 H new ATOM 2172 N ASN A 137 12.969 54.523 -20.138 1.00 0.00 N ATOM 2173 CA ASN A 137 11.810 53.662 -20.274 1.00 0.00 C ATOM 2174 C ASN A 137 11.787 52.676 -19.120 1.00 0.00 C ATOM 2175 O ASN A 137 10.740 52.144 -18.765 1.00 0.00 O ATOM 2176 CB ASN A 137 11.810 52.926 -21.626 1.00 0.00 C ATOM 2177 CG ASN A 137 12.630 51.643 -21.623 1.00 0.00 C ATOM 2178 OD1 ASN A 137 12.107 50.564 -21.344 1.00 0.00 O ATOM 2179 ND2 ASN A 137 13.910 51.748 -21.937 1.00 0.00 N ATOM 0 H ASN A 137 13.795 54.200 -20.643 1.00 0.00 H new ATOM 0 HA ASN A 137 10.909 54.275 -20.246 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.782 52.689 -21.901 1.00 0.00 H new ATOM 0 HB3 ASN A 137 12.200 53.594 -22.394 1.00 0.00 H new ATOM 0 HD21 ASN A 137 14.501 50.917 -21.954 1.00 0.00 H new ATOM 0 HD22 ASN A 137 14.307 52.660 -22.162 1.00 0.00 H new ATOM 2186 N LEU A 138 12.961 52.455 -18.532 1.00 0.00 N ATOM 2187 CA LEU A 138 13.109 51.540 -17.407 1.00 0.00 C ATOM 2188 C LEU A 138 12.161 51.939 -16.279 1.00 0.00 C ATOM 2189 O LEU A 138 11.331 51.143 -15.846 1.00 0.00 O ATOM 2190 CB LEU A 138 14.569 51.547 -16.922 1.00 0.00 C ATOM 2191 CG LEU A 138 15.011 50.347 -16.067 1.00 0.00 C ATOM 2192 CD1 LEU A 138 16.523 50.336 -15.926 1.00 0.00 C ATOM 2193 CD2 LEU A 138 14.368 50.376 -14.686 1.00 0.00 C ATOM 0 H LEU A 138 13.830 52.903 -18.821 1.00 0.00 H new ATOM 0 HA LEU A 138 12.853 50.530 -17.726 1.00 0.00 H new ATOM 0 HB2 LEU A 138 15.219 51.602 -17.795 1.00 0.00 H new ATOM 0 HB3 LEU A 138 14.733 52.457 -16.345 1.00 0.00 H new ATOM 0 HG LEU A 138 14.683 49.440 -16.575 1.00 0.00 H new ATOM 0 HD11 LEU A 138 16.826 49.483 -15.319 1.00 0.00 H new ATOM 0 HD12 LEU A 138 16.980 50.260 -16.913 1.00 0.00 H new ATOM 0 HD13 LEU A 138 16.850 51.258 -15.445 1.00 0.00 H new ATOM 0 HD21 LEU A 138 14.703 49.513 -14.110 1.00 0.00 H new ATOM 0 HD22 LEU A 138 14.657 51.291 -14.169 1.00 0.00 H new ATOM 0 HD23 LEU A 138 13.283 50.344 -14.789 1.00 0.00 H new ATOM 2205 N TYR A 139 12.268 53.185 -15.834 1.00 0.00 N ATOM 2206 CA TYR A 139 11.436 53.679 -14.743 1.00 0.00 C ATOM 2207 C TYR A 139 10.016 53.933 -15.244 1.00 0.00 C ATOM 2208 O TYR A 139 9.074 54.017 -14.466 1.00 0.00 O ATOM 2209 CB TYR A 139 12.040 54.956 -14.152 1.00 0.00 C ATOM 2210 CG TYR A 139 11.533 55.282 -12.765 1.00 0.00 C ATOM 2211 CD1 TYR A 139 12.115 54.705 -11.645 1.00 0.00 C ATOM 2212 CD2 TYR A 139 10.475 56.163 -12.574 1.00 0.00 C ATOM 2213 CE1 TYR A 139 11.659 54.992 -10.374 1.00 0.00 C ATOM 2214 CE2 TYR A 139 10.013 56.456 -11.306 1.00 0.00 C ATOM 2215 CZ TYR A 139 10.607 55.868 -10.209 1.00 0.00 C ATOM 2216 OH TYR A 139 10.150 56.159 -8.944 1.00 0.00 O ATOM 0 H TYR A 139 12.922 53.871 -16.211 1.00 0.00 H new ATOM 0 HA TYR A 139 11.396 52.925 -13.957 1.00 0.00 H new ATOM 0 HB2 TYR A 139 13.125 54.853 -14.118 1.00 0.00 H new ATOM 0 HB3 TYR A 139 11.820 55.792 -14.816 1.00 0.00 H new ATOM 0 HD1 TYR A 139 12.940 54.019 -11.770 1.00 0.00 H new ATOM 0 HD2 TYR A 139 10.007 56.626 -13.430 1.00 0.00 H new ATOM 0 HE1 TYR A 139 12.124 54.533 -9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 139 9.190 57.143 -11.174 1.00 0.00 H new ATOM 0 HH TYR A 139 9.406 56.794 -9.003 1.00 0.00 H new ATOM 2226 N PHE A 140 9.876 54.072 -16.556 1.00 0.00 N ATOM 2227 CA PHE A 140 8.564 54.217 -17.170 1.00 0.00 C ATOM 2228 C PHE A 140 7.784 52.906 -17.056 1.00 0.00 C ATOM 2229 O PHE A 140 6.557 52.904 -16.961 1.00 0.00 O ATOM 2230 CB PHE A 140 8.705 54.630 -18.639 1.00 0.00 C ATOM 2231 CG PHE A 140 7.393 54.845 -19.341 1.00 0.00 C ATOM 2232 CD1 PHE A 140 6.627 55.967 -19.073 1.00 0.00 C ATOM 2233 CD2 PHE A 140 6.929 53.926 -20.269 1.00 0.00 C ATOM 2234 CE1 PHE A 140 5.421 56.169 -19.717 1.00 0.00 C ATOM 2235 CE2 PHE A 140 5.725 54.122 -20.915 1.00 0.00 C ATOM 2236 CZ PHE A 140 4.969 55.245 -20.638 1.00 0.00 C ATOM 0 H PHE A 140 10.655 54.087 -17.215 1.00 0.00 H new ATOM 0 HA PHE A 140 8.015 54.998 -16.644 1.00 0.00 H new ATOM 0 HB2 PHE A 140 9.289 55.548 -18.693 1.00 0.00 H new ATOM 0 HB3 PHE A 140 9.268 53.862 -19.170 1.00 0.00 H new ATOM 0 HD1 PHE A 140 6.976 56.692 -18.353 1.00 0.00 H new ATOM 0 HD2 PHE A 140 7.516 53.047 -20.489 1.00 0.00 H new ATOM 0 HE1 PHE A 140 4.833 57.048 -19.500 1.00 0.00 H new ATOM 0 HE2 PHE A 140 5.374 53.399 -21.636 1.00 0.00 H new ATOM 0 HZ PHE A 140 4.026 55.400 -21.141 1.00 0.00 H new ATOM 2246 N GLN A 141 8.511 51.795 -17.075 1.00 0.00 N ATOM 2247 CA GLN A 141 7.908 50.476 -16.929 1.00 0.00 C ATOM 2248 C GLN A 141 7.763 50.113 -15.459 1.00 0.00 C ATOM 2249 O GLN A 141 6.781 49.493 -15.053 1.00 0.00 O ATOM 2250 CB GLN A 141 8.763 49.416 -17.621 1.00 0.00 C ATOM 2251 CG GLN A 141 8.967 49.665 -19.105 1.00 0.00 C ATOM 2252 CD GLN A 141 7.670 49.710 -19.887 1.00 0.00 C ATOM 2253 OE1 GLN A 141 6.681 49.073 -19.523 1.00 0.00 O ATOM 2254 NE2 GLN A 141 7.668 50.462 -20.976 1.00 0.00 N ATOM 0 H GLN A 141 9.524 51.782 -17.191 1.00 0.00 H new ATOM 0 HA GLN A 141 6.922 50.507 -17.393 1.00 0.00 H new ATOM 0 HB2 GLN A 141 9.736 49.372 -17.132 1.00 0.00 H new ATOM 0 HB3 GLN A 141 8.295 48.441 -17.487 1.00 0.00 H new ATOM 0 HG2 GLN A 141 9.497 50.608 -19.239 1.00 0.00 H new ATOM 0 HG3 GLN A 141 9.603 48.880 -19.514 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.508 50.974 -21.243 1.00 0.00 H new ATOM 0 HE22 GLN A 141 6.826 50.529 -21.548 1.00 0.00 H new ATOM 2263 N SER A 142 8.767 50.486 -14.682 1.00 0.00 N ATOM 2264 CA SER A 142 8.818 50.169 -13.271 1.00 0.00 C ATOM 2265 C SER A 142 8.285 51.327 -12.427 1.00 0.00 C ATOM 2266 O SER A 142 7.054 51.388 -12.213 1.00 0.00 O ATOM 2267 CB SER A 142 10.262 49.850 -12.897 1.00 0.00 C ATOM 2268 OG SER A 142 10.731 48.721 -13.619 1.00 0.00 O ATOM 0 H SER A 142 9.570 51.019 -15.017 1.00 0.00 H new ATOM 0 HA SER A 142 8.184 49.305 -13.071 1.00 0.00 H new ATOM 0 HB2 SER A 142 10.896 50.711 -13.108 1.00 0.00 H new ATOM 0 HB3 SER A 142 10.331 49.657 -11.826 1.00 0.00 H new ATOM 0 HG SER A 142 11.659 48.534 -13.366 1.00 0.00 H new TER 2274 SER A 142