USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 734 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 63 TYR OH : rot 165:sc= 0.549 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 174:sc= 0.225 (180deg=-0.88) USER MOD Single : A 1 SER N :NH3+ 146:sc= 0.023 (180deg=0) USER MOD Single : A 1 SER OG : rot -70:sc= 0.018 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.74! C(o=-1.7!,f=-6.2!) USER MOD Single : A 5 THR OG1 : rot 168:sc= 1.95 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc=-0.00363 (180deg=-0.119) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 0.498 (180deg=0.204) USER MOD Single : A 25 THR OG1 : rot 24:sc= 0.517 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00725 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0529 F(o=-1.3,f=-0.053) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 42 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.23) USER MOD Single : A 44 GLN : amide:sc= 0.851 K(o=0.85,f=-8.4!) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.017 (180deg=-0.232) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.166 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.722 K(o=0.72,f=-4.9!) USER MOD Single : A 52 MET CE :methyl 140:sc= -0.444 (180deg=-1.14) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00541 F(o=-0.89,f=-0.0054) USER MOD Single : A 56 SER OG : rot 94:sc= 0.172 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 60 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0453) USER MOD Single : A 65 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.5) USER MOD Single : A 68 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 71 GLN : amide:sc= -1.51! C(o=-1.5!,f=-9.4!) USER MOD Single : A 72 ASN : amide:sc= -1.69! C(o=-1.7!,f=-4!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.145 F(o=-1.3,f=-0.15) USER MOD Single : A 75 MET CE :methyl 164:sc= -0.258 (180deg=-0.638) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.474 X(o=-0.47,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.990 13.684 -6.635 1.00 0.00 N ATOM 2 CA SER A 1 -7.111 13.482 -5.467 1.00 0.00 C ATOM 3 C SER A 1 -6.032 14.556 -5.423 1.00 0.00 C ATOM 4 O SER A 1 -5.234 14.691 -6.355 1.00 0.00 O ATOM 5 CB SER A 1 -6.479 12.094 -5.531 1.00 0.00 C ATOM 6 OG SER A 1 -7.481 11.095 -5.641 1.00 0.00 O ATOM 0 H1 SER A 1 -8.302 12.761 -6.998 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.820 14.244 -6.352 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.468 14.190 -7.379 1.00 0.00 H new ATOM 0 HA SER A 1 -7.707 13.558 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.803 12.035 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.880 11.919 -4.637 1.00 0.00 H new ATOM 0 HG SER A 1 -7.972 11.030 -4.795 1.00 0.00 H new ATOM 14 N LYS A 2 -6.033 15.341 -4.357 1.00 0.00 N ATOM 15 CA LYS A 2 -5.038 16.386 -4.177 1.00 0.00 C ATOM 16 C LYS A 2 -4.662 16.481 -2.700 1.00 0.00 C ATOM 17 O LYS A 2 -4.198 17.516 -2.219 1.00 0.00 O ATOM 18 CB LYS A 2 -5.586 17.724 -4.692 1.00 0.00 C ATOM 19 CG LYS A 2 -4.524 18.798 -4.876 1.00 0.00 C ATOM 20 CD LYS A 2 -5.110 20.067 -5.473 1.00 0.00 C ATOM 21 CE LYS A 2 -5.710 19.814 -6.848 1.00 0.00 C ATOM 22 NZ LYS A 2 -6.209 21.065 -7.476 1.00 0.00 N ATOM 0 H LYS A 2 -6.714 15.274 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.142 16.143 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.088 17.557 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.340 18.089 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.065 19.026 -3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.733 18.421 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.878 20.462 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.332 20.827 -5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.959 19.359 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.529 19.100 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.610 20.848 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.944 21.487 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.423 21.737 -7.584 1.00 0.00 H new ATOM 36 N GLN A 3 -4.841 15.376 -1.993 1.00 0.00 N ATOM 37 CA GLN A 3 -4.621 15.333 -0.554 1.00 0.00 C ATOM 38 C GLN A 3 -3.925 14.042 -0.146 1.00 0.00 C ATOM 39 O GLN A 3 -4.571 13.038 0.147 1.00 0.00 O ATOM 40 CB GLN A 3 -5.933 15.518 0.217 1.00 0.00 C ATOM 41 CG GLN A 3 -6.398 16.967 0.270 1.00 0.00 C ATOM 42 CD GLN A 3 -5.475 17.853 1.097 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.275 17.594 1.225 1.00 0.00 O ATOM 44 NE2 GLN A 3 -6.025 18.920 1.656 1.00 0.00 N ATOM 0 H GLN A 3 -5.141 14.488 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.966 16.165 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.709 14.911 -0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.805 15.147 1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.460 17.361 -0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.403 17.006 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.020 19.106 1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.454 19.556 2.212 1.00 0.00 H new ATOM 53 N PRO A 4 -2.584 14.060 -0.163 1.00 0.00 N ATOM 54 CA PRO A 4 -1.748 12.899 0.190 1.00 0.00 C ATOM 55 C PRO A 4 -1.846 12.503 1.664 1.00 0.00 C ATOM 56 O PRO A 4 -1.249 11.513 2.080 1.00 0.00 O ATOM 57 CB PRO A 4 -0.328 13.377 -0.116 1.00 0.00 C ATOM 58 CG PRO A 4 -0.396 14.860 -0.051 1.00 0.00 C ATOM 59 CD PRO A 4 -1.765 15.227 -0.540 1.00 0.00 C ATOM 0 HA PRO A 4 -2.061 12.013 -0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.385 12.983 0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.002 13.040 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.236 15.215 0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.376 15.315 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.128 16.142 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.776 15.395 -1.617 1.00 0.00 H new ATOM 67 N THR A 5 -2.595 13.288 2.434 1.00 0.00 N ATOM 68 CA THR A 5 -2.706 13.104 3.877 1.00 0.00 C ATOM 69 C THR A 5 -1.424 13.564 4.570 1.00 0.00 C ATOM 70 O THR A 5 -0.401 12.883 4.531 1.00 0.00 O ATOM 71 CB THR A 5 -3.008 11.637 4.272 1.00 0.00 C ATOM 72 OG1 THR A 5 -4.177 11.162 3.585 1.00 0.00 O ATOM 73 CG2 THR A 5 -3.223 11.516 5.775 1.00 0.00 C ATOM 0 H THR A 5 -3.142 14.070 2.074 1.00 0.00 H new ATOM 0 HA THR A 5 -3.549 13.712 4.205 1.00 0.00 H new ATOM 0 HB THR A 5 -2.149 11.030 3.985 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.246 10.190 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.434 10.477 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.325 11.843 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.065 12.141 6.074 1.00 0.00 H new ATOM 81 N SER A 6 -1.471 14.737 5.178 1.00 0.00 N ATOM 82 CA SER A 6 -0.311 15.275 5.867 1.00 0.00 C ATOM 83 C SER A 6 -0.660 15.660 7.296 1.00 0.00 C ATOM 84 O SER A 6 -1.593 16.431 7.538 1.00 0.00 O ATOM 85 CB SER A 6 0.245 16.478 5.106 1.00 0.00 C ATOM 86 OG SER A 6 0.664 16.091 3.808 1.00 0.00 O ATOM 0 H SER A 6 -2.298 15.334 5.209 1.00 0.00 H new ATOM 0 HA SER A 6 0.456 14.501 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.517 17.254 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.085 16.906 5.653 1.00 0.00 H new ATOM 0 HG SER A 6 1.016 16.872 3.332 1.00 0.00 H new ATOM 92 N ALA A 7 0.088 15.107 8.235 1.00 0.00 N ATOM 93 CA ALA A 7 -0.101 15.384 9.647 1.00 0.00 C ATOM 94 C ALA A 7 1.241 15.324 10.354 1.00 0.00 C ATOM 95 O ALA A 7 1.717 16.327 10.888 1.00 0.00 O ATOM 96 CB ALA A 7 -1.084 14.394 10.263 1.00 0.00 C ATOM 0 H ALA A 7 0.845 14.452 8.039 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.521 16.383 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.212 14.619 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.046 14.474 9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.698 13.381 10.151 1.00 0.00 H new ATOM 102 N GLU A 8 1.854 14.137 10.317 1.00 0.00 N ATOM 103 CA GLU A 8 3.175 13.902 10.901 1.00 0.00 C ATOM 104 C GLU A 8 3.217 14.344 12.362 1.00 0.00 C ATOM 105 O GLU A 8 4.260 14.748 12.874 1.00 0.00 O ATOM 106 CB GLU A 8 4.266 14.623 10.089 1.00 0.00 C ATOM 107 CG GLU A 8 4.454 14.088 8.669 1.00 0.00 C ATOM 108 CD GLU A 8 3.343 14.500 7.714 1.00 0.00 C ATOM 109 OE1 GLU A 8 2.331 13.779 7.624 1.00 0.00 O ATOM 110 OE2 GLU A 8 3.480 15.556 7.054 1.00 0.00 O ATOM 0 H GLU A 8 1.446 13.311 9.880 1.00 0.00 H new ATOM 0 HA GLU A 8 3.369 12.830 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.020 15.684 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.213 14.542 10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.408 14.443 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.508 13.000 8.703 1.00 0.00 H new ATOM 117 N ASN A 9 2.085 14.233 13.033 1.00 0.00 N ATOM 118 CA ASN A 9 1.949 14.737 14.388 1.00 0.00 C ATOM 119 C ASN A 9 1.432 13.653 15.322 1.00 0.00 C ATOM 120 O ASN A 9 0.481 12.944 14.985 1.00 0.00 O ATOM 121 CB ASN A 9 0.990 15.928 14.395 1.00 0.00 C ATOM 122 CG ASN A 9 0.700 16.453 15.791 1.00 0.00 C ATOM 123 OD1 ASN A 9 1.560 16.430 16.673 1.00 0.00 O ATOM 124 ND2 ASN A 9 -0.525 16.913 16.004 1.00 0.00 N ATOM 0 H ASN A 9 1.242 13.796 12.660 1.00 0.00 H new ATOM 0 HA ASN A 9 2.931 15.053 14.742 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.414 16.731 13.792 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.053 15.635 13.922 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.784 17.265 16.925 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.208 16.915 15.246 1.00 0.00 H new ATOM 131 N SER A 10 2.093 13.513 16.474 1.00 0.00 N ATOM 132 CA SER A 10 1.653 12.634 17.563 1.00 0.00 C ATOM 133 C SER A 10 1.875 11.150 17.255 1.00 0.00 C ATOM 134 O SER A 10 2.452 10.422 18.066 1.00 0.00 O ATOM 135 CB SER A 10 0.179 12.896 17.911 1.00 0.00 C ATOM 136 OG SER A 10 -0.243 12.113 19.018 1.00 0.00 O ATOM 0 H SER A 10 2.958 14.012 16.680 1.00 0.00 H new ATOM 0 HA SER A 10 2.273 12.874 18.427 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.040 13.953 18.138 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.445 12.671 17.046 1.00 0.00 H new ATOM 0 HG SER A 10 -1.184 12.304 19.214 1.00 0.00 H new ATOM 142 N VAL A 11 1.420 10.710 16.095 1.00 0.00 N ATOM 143 CA VAL A 11 1.434 9.294 15.753 1.00 0.00 C ATOM 144 C VAL A 11 2.831 8.822 15.348 1.00 0.00 C ATOM 145 O VAL A 11 3.177 8.794 14.167 1.00 0.00 O ATOM 146 CB VAL A 11 0.426 8.963 14.624 1.00 0.00 C ATOM 147 CG1 VAL A 11 0.332 7.459 14.407 1.00 0.00 C ATOM 148 CG2 VAL A 11 -0.944 9.541 14.940 1.00 0.00 C ATOM 0 H VAL A 11 1.034 11.314 15.369 1.00 0.00 H new ATOM 0 HA VAL A 11 1.133 8.760 16.654 1.00 0.00 H new ATOM 0 HB VAL A 11 0.788 9.420 13.703 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.381 7.250 13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.311 7.070 14.129 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.001 6.979 15.327 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.636 9.297 14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.311 9.117 15.875 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.868 10.624 15.038 1.00 0.00 H new ATOM 158 N ALA A 12 3.635 8.492 16.344 1.00 0.00 N ATOM 159 CA ALA A 12 4.917 7.846 16.121 1.00 0.00 C ATOM 160 C ALA A 12 4.860 6.441 16.703 1.00 0.00 C ATOM 161 O ALA A 12 5.364 6.181 17.796 1.00 0.00 O ATOM 162 CB ALA A 12 6.051 8.655 16.740 1.00 0.00 C ATOM 0 H ALA A 12 3.419 8.663 17.326 1.00 0.00 H new ATOM 0 HA ALA A 12 5.117 7.787 15.051 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.000 8.150 16.559 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.077 9.648 16.291 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.888 8.747 17.814 1.00 0.00 H new ATOM 168 N LYS A 13 4.208 5.550 15.974 1.00 0.00 N ATOM 169 CA LYS A 13 3.870 4.236 16.499 1.00 0.00 C ATOM 170 C LYS A 13 4.230 3.139 15.502 1.00 0.00 C ATOM 171 O LYS A 13 4.453 1.993 15.888 1.00 0.00 O ATOM 172 CB LYS A 13 2.374 4.210 16.821 1.00 0.00 C ATOM 173 CG LYS A 13 1.933 3.067 17.717 1.00 0.00 C ATOM 174 CD LYS A 13 0.511 3.295 18.203 1.00 0.00 C ATOM 175 CE LYS A 13 0.050 2.209 19.161 1.00 0.00 C ATOM 176 NZ LYS A 13 -1.277 2.526 19.753 1.00 0.00 N ATOM 0 H LYS A 13 3.901 5.713 15.015 1.00 0.00 H new ATOM 0 HA LYS A 13 4.444 4.048 17.406 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.104 5.152 17.298 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.817 4.155 15.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.991 2.125 17.171 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.607 2.984 18.570 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.449 4.264 18.698 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.162 3.331 17.347 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.005 1.257 18.633 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.785 2.090 19.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.559 1.763 20.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.218 3.422 20.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.983 2.615 18.995 1.00 0.00 H new ATOM 190 N LYS A 14 4.297 3.514 14.221 1.00 0.00 N ATOM 191 CA LYS A 14 4.631 2.584 13.141 1.00 0.00 C ATOM 192 C LYS A 14 3.637 1.422 13.080 1.00 0.00 C ATOM 193 O LYS A 14 3.961 0.296 13.451 1.00 0.00 O ATOM 194 CB LYS A 14 6.067 2.057 13.288 1.00 0.00 C ATOM 195 CG LYS A 14 7.129 3.145 13.211 1.00 0.00 C ATOM 196 CD LYS A 14 8.527 2.577 13.401 1.00 0.00 C ATOM 197 CE LYS A 14 9.580 3.674 13.351 1.00 0.00 C ATOM 198 NZ LYS A 14 10.953 3.144 13.572 1.00 0.00 N ATOM 0 H LYS A 14 4.122 4.468 13.905 1.00 0.00 H new ATOM 0 HA LYS A 14 4.564 3.136 12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.159 1.539 14.243 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.256 1.321 12.507 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.068 3.647 12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.935 3.898 13.974 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.584 2.058 14.358 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.731 1.839 12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.536 4.174 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.356 4.425 14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.638 3.926 13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.004 2.690 14.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.178 2.446 12.835 1.00 0.00 H new ATOM 212 N GLU A 15 2.426 1.728 12.609 1.00 0.00 N ATOM 213 CA GLU A 15 1.325 0.758 12.520 1.00 0.00 C ATOM 214 C GLU A 15 0.886 0.267 13.897 1.00 0.00 C ATOM 215 O GLU A 15 -0.113 0.739 14.447 1.00 0.00 O ATOM 216 CB GLU A 15 1.695 -0.445 11.644 1.00 0.00 C ATOM 217 CG GLU A 15 1.815 -0.124 10.166 1.00 0.00 C ATOM 218 CD GLU A 15 1.939 -1.375 9.331 1.00 0.00 C ATOM 219 OE1 GLU A 15 0.907 -2.050 9.113 1.00 0.00 O ATOM 220 OE2 GLU A 15 3.063 -1.702 8.900 1.00 0.00 O ATOM 0 H GLU A 15 2.177 2.660 12.276 1.00 0.00 H new ATOM 0 HA GLU A 15 0.492 1.287 12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.642 -0.857 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.942 -1.222 11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.941 0.443 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.685 0.511 10.001 1.00 0.00 H new ATOM 227 N ASP A 16 1.634 -0.674 14.445 1.00 0.00 N ATOM 228 CA ASP A 16 1.295 -1.285 15.719 1.00 0.00 C ATOM 229 C ASP A 16 2.554 -1.456 16.547 1.00 0.00 C ATOM 230 O ASP A 16 3.477 -2.172 16.151 1.00 0.00 O ATOM 231 CB ASP A 16 0.625 -2.644 15.494 1.00 0.00 C ATOM 232 CG ASP A 16 -0.143 -3.140 16.707 1.00 0.00 C ATOM 233 OD1 ASP A 16 0.410 -3.145 17.827 1.00 0.00 O ATOM 234 OD2 ASP A 16 -1.319 -3.526 16.543 1.00 0.00 O ATOM 0 H ASP A 16 2.489 -1.035 14.023 1.00 0.00 H new ATOM 0 HA ASP A 16 0.597 -0.639 16.252 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.056 -2.570 14.646 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.386 -3.378 15.229 1.00 0.00 H new ATOM 239 N LYS A 17 2.593 -0.793 17.689 1.00 0.00 N ATOM 240 CA LYS A 17 3.755 -0.842 18.557 1.00 0.00 C ATOM 241 C LYS A 17 3.740 -2.139 19.366 1.00 0.00 C ATOM 242 O LYS A 17 3.399 -2.149 20.551 1.00 0.00 O ATOM 243 CB LYS A 17 3.772 0.387 19.478 1.00 0.00 C ATOM 244 CG LYS A 17 5.072 0.584 20.247 1.00 0.00 C ATOM 245 CD LYS A 17 5.041 1.877 21.045 1.00 0.00 C ATOM 246 CE LYS A 17 6.353 2.123 21.774 1.00 0.00 C ATOM 247 NZ LYS A 17 6.354 3.434 22.476 1.00 0.00 N ATOM 0 H LYS A 17 1.830 -0.212 18.037 1.00 0.00 H new ATOM 0 HA LYS A 17 4.663 -0.826 17.954 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.581 1.277 18.878 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.952 0.302 20.191 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.233 -0.259 20.919 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.911 0.601 19.552 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.835 2.712 20.376 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.226 1.839 21.767 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.524 1.324 22.495 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.177 2.091 21.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.264 3.567 22.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.216 4.198 21.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.583 3.455 23.174 1.00 0.00 H new ATOM 261 N VAL A 18 4.071 -3.239 18.702 1.00 0.00 N ATOM 262 CA VAL A 18 4.065 -4.549 19.336 1.00 0.00 C ATOM 263 C VAL A 18 5.343 -5.335 19.009 1.00 0.00 C ATOM 264 O VAL A 18 5.414 -6.084 18.033 1.00 0.00 O ATOM 265 CB VAL A 18 2.801 -5.363 18.955 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.642 -5.477 17.443 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.833 -6.740 19.599 1.00 0.00 C ATOM 0 H VAL A 18 4.348 -3.249 17.720 1.00 0.00 H new ATOM 0 HA VAL A 18 4.039 -4.384 20.413 1.00 0.00 H new ATOM 0 HB VAL A 18 1.934 -4.823 19.337 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.746 -6.054 17.214 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.553 -4.481 17.010 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.514 -5.978 17.022 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.937 -7.294 19.318 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.716 -7.281 19.258 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.869 -6.634 20.683 1.00 0.00 H new ATOM 277 N PRO A 19 6.401 -5.121 19.799 1.00 0.00 N ATOM 278 CA PRO A 19 7.644 -5.855 19.660 1.00 0.00 C ATOM 279 C PRO A 19 7.663 -7.116 20.518 1.00 0.00 C ATOM 280 O PRO A 19 8.153 -7.112 21.650 1.00 0.00 O ATOM 281 CB PRO A 19 8.682 -4.848 20.146 1.00 0.00 C ATOM 282 CG PRO A 19 7.963 -3.991 21.143 1.00 0.00 C ATOM 283 CD PRO A 19 6.480 -4.130 20.879 1.00 0.00 C ATOM 0 HA PRO A 19 7.815 -6.208 18.643 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.535 -5.351 20.602 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.068 -4.251 19.320 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.202 -4.303 22.160 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.273 -2.950 21.048 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.946 -4.466 21.768 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.037 -3.180 20.581 1.00 0.00 H new ATOM 291 N VAL A 20 7.091 -8.184 19.985 1.00 0.00 N ATOM 292 CA VAL A 20 7.077 -9.471 20.663 1.00 0.00 C ATOM 293 C VAL A 20 7.443 -10.558 19.663 1.00 0.00 C ATOM 294 O VAL A 20 6.656 -11.470 19.399 1.00 0.00 O ATOM 295 CB VAL A 20 5.695 -9.793 21.293 1.00 0.00 C ATOM 296 CG1 VAL A 20 5.794 -10.986 22.240 1.00 0.00 C ATOM 297 CG2 VAL A 20 5.119 -8.585 22.014 1.00 0.00 C ATOM 0 H VAL A 20 6.626 -8.184 19.077 1.00 0.00 H new ATOM 0 HA VAL A 20 7.802 -9.429 21.476 1.00 0.00 H new ATOM 0 HB VAL A 20 5.016 -10.053 20.481 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.813 -11.192 22.669 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.140 -11.860 21.689 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.499 -10.758 23.039 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.151 -8.845 22.443 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.798 -8.278 22.809 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.994 -7.765 21.307 1.00 0.00 H new ATOM 307 N LYS A 21 8.640 -10.433 19.092 1.00 0.00 N ATOM 308 CA LYS A 21 9.089 -11.313 18.017 1.00 0.00 C ATOM 309 C LYS A 21 8.153 -11.222 16.816 1.00 0.00 C ATOM 310 O LYS A 21 7.381 -10.268 16.683 1.00 0.00 O ATOM 311 CB LYS A 21 9.196 -12.771 18.483 1.00 0.00 C ATOM 312 CG LYS A 21 10.383 -13.049 19.393 1.00 0.00 C ATOM 313 CD LYS A 21 10.595 -14.545 19.565 1.00 0.00 C ATOM 314 CE LYS A 21 11.847 -14.848 20.372 1.00 0.00 C ATOM 315 NZ LYS A 21 12.148 -16.303 20.397 1.00 0.00 N ATOM 0 H LYS A 21 9.321 -9.723 19.360 1.00 0.00 H new ATOM 0 HA LYS A 21 10.083 -10.977 17.722 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.279 -13.041 19.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.265 -13.417 17.607 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.282 -12.596 18.974 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.217 -12.587 20.366 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.728 -14.980 20.062 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.671 -15.016 18.585 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.693 -14.309 19.946 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.719 -14.486 21.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.009 -16.470 20.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.351 -16.815 20.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.295 -16.644 19.426 1.00 0.00 H new ATOM 329 N LYS A 22 8.267 -12.203 15.930 1.00 0.00 N ATOM 330 CA LYS A 22 7.418 -12.302 14.751 1.00 0.00 C ATOM 331 C LYS A 22 7.642 -11.112 13.825 1.00 0.00 C ATOM 332 O LYS A 22 6.774 -10.242 13.667 1.00 0.00 O ATOM 333 CB LYS A 22 5.933 -12.415 15.127 1.00 0.00 C ATOM 334 CG LYS A 22 5.210 -13.560 14.429 1.00 0.00 C ATOM 335 CD LYS A 22 5.449 -13.540 12.924 1.00 0.00 C ATOM 336 CE LYS A 22 4.697 -14.652 12.211 1.00 0.00 C ATOM 337 NZ LYS A 22 3.226 -14.470 12.299 1.00 0.00 N ATOM 0 H LYS A 22 8.953 -12.954 16.009 1.00 0.00 H new ATOM 0 HA LYS A 22 7.697 -13.215 14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.850 -12.548 16.206 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.433 -11.478 14.882 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.551 -14.510 14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.141 -13.492 14.629 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.138 -12.576 12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.516 -13.639 12.725 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.997 -14.680 11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.971 -15.613 12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.754 -15.145 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.913 -14.637 13.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.979 -13.500 12.017 1.00 0.00 H new ATOM 351 N GLN A 23 8.827 -11.061 13.240 1.00 0.00 N ATOM 352 CA GLN A 23 9.119 -10.074 12.224 1.00 0.00 C ATOM 353 C GLN A 23 8.258 -10.363 11.008 1.00 0.00 C ATOM 354 O GLN A 23 8.068 -11.522 10.640 1.00 0.00 O ATOM 355 CB GLN A 23 10.601 -10.099 11.840 1.00 0.00 C ATOM 356 CG GLN A 23 11.547 -9.846 13.004 1.00 0.00 C ATOM 357 CD GLN A 23 12.996 -9.777 12.563 1.00 0.00 C ATOM 358 OE1 GLN A 23 13.387 -10.394 11.572 1.00 0.00 O ATOM 359 NE2 GLN A 23 13.807 -9.032 13.299 1.00 0.00 N ATOM 0 H GLN A 23 9.599 -11.692 13.453 1.00 0.00 H new ATOM 0 HA GLN A 23 8.897 -9.081 12.614 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.835 -11.068 11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.779 -9.348 11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.274 -8.912 13.495 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.432 -10.640 13.742 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.445 -8.536 14.113 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.793 -8.955 13.051 1.00 0.00 H new ATOM 368 N LYS A 24 7.715 -9.320 10.408 1.00 0.00 N ATOM 369 CA LYS A 24 6.838 -9.485 9.264 1.00 0.00 C ATOM 370 C LYS A 24 7.655 -9.982 8.076 1.00 0.00 C ATOM 371 O LYS A 24 8.268 -9.203 7.347 1.00 0.00 O ATOM 372 CB LYS A 24 6.106 -8.173 8.947 1.00 0.00 C ATOM 373 CG LYS A 24 5.270 -7.639 10.112 1.00 0.00 C ATOM 374 CD LYS A 24 6.127 -6.918 11.146 1.00 0.00 C ATOM 375 CE LYS A 24 5.362 -6.638 12.432 1.00 0.00 C ATOM 376 NZ LYS A 24 5.045 -7.885 13.185 1.00 0.00 N ATOM 0 H LYS A 24 7.865 -8.352 10.693 1.00 0.00 H new ATOM 0 HA LYS A 24 6.072 -10.226 9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.839 -7.418 8.661 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.456 -8.329 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.511 -6.956 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.744 -8.466 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.006 -7.522 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.486 -5.978 10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.951 -5.974 13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.436 -6.114 12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.808 -7.646 14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.235 -8.363 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.870 -8.518 13.172 1.00 0.00 H new ATOM 390 N THR A 25 7.677 -11.295 7.911 1.00 0.00 N ATOM 391 CA THR A 25 8.601 -11.935 6.998 1.00 0.00 C ATOM 392 C THR A 25 8.037 -12.016 5.583 1.00 0.00 C ATOM 393 O THR A 25 7.421 -13.012 5.201 1.00 0.00 O ATOM 394 CB THR A 25 8.953 -13.348 7.497 1.00 0.00 C ATOM 395 OG1 THR A 25 9.248 -13.310 8.902 1.00 0.00 O ATOM 396 CG2 THR A 25 10.148 -13.917 6.744 1.00 0.00 C ATOM 0 H THR A 25 7.059 -11.940 8.403 1.00 0.00 H new ATOM 0 HA THR A 25 9.502 -11.323 6.967 1.00 0.00 H new ATOM 0 HB THR A 25 8.093 -13.993 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.809 -12.533 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.372 -14.916 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.915 -13.972 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.013 -13.271 6.893 1.00 0.00 H new ATOM 404 N ARG A 26 8.217 -10.938 4.838 1.00 0.00 N ATOM 405 CA ARG A 26 7.887 -10.892 3.421 1.00 0.00 C ATOM 406 C ARG A 26 8.396 -9.580 2.856 1.00 0.00 C ATOM 407 O ARG A 26 8.988 -8.783 3.585 1.00 0.00 O ATOM 408 CB ARG A 26 6.375 -11.025 3.173 1.00 0.00 C ATOM 409 CG ARG A 26 5.551 -9.854 3.678 1.00 0.00 C ATOM 410 CD ARG A 26 4.103 -9.975 3.231 1.00 0.00 C ATOM 411 NE ARG A 26 3.294 -8.832 3.657 1.00 0.00 N ATOM 412 CZ ARG A 26 2.131 -8.493 3.099 1.00 0.00 C ATOM 413 NH1 ARG A 26 1.624 -9.221 2.108 1.00 0.00 N ATOM 414 NH2 ARG A 26 1.467 -7.428 3.536 1.00 0.00 N ATOM 0 H ARG A 26 8.598 -10.064 5.200 1.00 0.00 H new ATOM 0 HA ARG A 26 8.363 -11.737 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.203 -11.139 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.019 -11.937 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.597 -9.814 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.973 -8.920 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.066 -10.059 2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.675 -10.892 3.637 1.00 0.00 H new ATOM 0 HE ARG A 26 3.641 -8.260 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.125 -10.043 1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.734 -8.957 1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.847 -6.868 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.578 -7.170 3.108 1.00 0.00 H new ATOM 428 N THR A 27 8.189 -9.348 1.574 1.00 0.00 N ATOM 429 CA THR A 27 8.577 -8.085 0.992 1.00 0.00 C ATOM 430 C THR A 27 7.582 -7.003 1.370 1.00 0.00 C ATOM 431 O THR A 27 6.370 -7.195 1.288 1.00 0.00 O ATOM 432 CB THR A 27 8.692 -8.172 -0.529 1.00 0.00 C ATOM 433 OG1 THR A 27 7.602 -8.936 -1.059 1.00 0.00 O ATOM 434 CG2 THR A 27 10.010 -8.804 -0.942 1.00 0.00 C ATOM 0 H THR A 27 7.760 -10.009 0.926 1.00 0.00 H new ATOM 0 HA THR A 27 9.560 -7.832 1.389 1.00 0.00 H new ATOM 0 HB THR A 27 8.656 -7.159 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.681 -8.986 -2.034 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.065 -8.853 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.836 -8.202 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.076 -9.811 -0.529 1.00 0.00 H new ATOM 442 N VAL A 28 8.114 -5.866 1.776 1.00 0.00 N ATOM 443 CA VAL A 28 7.314 -4.765 2.298 1.00 0.00 C ATOM 444 C VAL A 28 8.052 -3.452 2.111 1.00 0.00 C ATOM 445 O VAL A 28 9.176 -3.424 1.612 1.00 0.00 O ATOM 446 CB VAL A 28 6.991 -4.924 3.809 1.00 0.00 C ATOM 447 CG1 VAL A 28 5.969 -6.026 4.055 1.00 0.00 C ATOM 448 CG2 VAL A 28 8.266 -5.192 4.601 1.00 0.00 C ATOM 0 H VAL A 28 9.116 -5.675 1.755 1.00 0.00 H new ATOM 0 HA VAL A 28 6.377 -4.773 1.741 1.00 0.00 H new ATOM 0 HB VAL A 28 6.552 -3.987 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.770 -6.106 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.044 -5.788 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.361 -6.974 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.022 -5.301 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.733 -6.109 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.956 -4.358 4.472 1.00 0.00 H new ATOM 458 N PHE A 29 7.406 -2.369 2.504 1.00 0.00 N ATOM 459 CA PHE A 29 8.024 -1.064 2.521 1.00 0.00 C ATOM 460 C PHE A 29 8.333 -0.683 3.959 1.00 0.00 C ATOM 461 O PHE A 29 8.010 -1.429 4.880 1.00 0.00 O ATOM 462 CB PHE A 29 7.096 -0.029 1.897 1.00 0.00 C ATOM 463 CG PHE A 29 6.617 -0.393 0.522 1.00 0.00 C ATOM 464 CD1 PHE A 29 7.513 -0.592 -0.516 1.00 0.00 C ATOM 465 CD2 PHE A 29 5.265 -0.543 0.274 1.00 0.00 C ATOM 466 CE1 PHE A 29 7.066 -0.937 -1.778 1.00 0.00 C ATOM 467 CE2 PHE A 29 4.810 -0.890 -0.984 1.00 0.00 C ATOM 468 CZ PHE A 29 5.711 -1.085 -2.012 1.00 0.00 C ATOM 0 H PHE A 29 6.436 -2.374 2.820 1.00 0.00 H new ATOM 0 HA PHE A 29 8.946 -1.093 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.232 0.109 2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.615 0.928 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.572 -0.476 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.556 -0.387 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.773 -1.091 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.751 -1.008 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.358 -1.353 -2.997 1.00 0.00 H new ATOM 478 N SER A 30 8.970 0.459 4.150 1.00 0.00 N ATOM 479 CA SER A 30 9.248 0.948 5.489 1.00 0.00 C ATOM 480 C SER A 30 7.933 1.213 6.215 1.00 0.00 C ATOM 481 O SER A 30 6.910 1.467 5.572 1.00 0.00 O ATOM 482 CB SER A 30 10.083 2.228 5.416 1.00 0.00 C ATOM 483 OG SER A 30 11.235 2.036 4.611 1.00 0.00 O ATOM 0 H SER A 30 9.303 1.063 3.398 1.00 0.00 H new ATOM 0 HA SER A 30 9.814 0.197 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.479 3.038 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.382 2.530 6.420 1.00 0.00 H new ATOM 0 HG SER A 30 11.753 2.867 4.577 1.00 0.00 H new ATOM 489 N SER A 31 7.960 1.156 7.544 1.00 0.00 N ATOM 490 CA SER A 31 6.761 1.363 8.355 1.00 0.00 C ATOM 491 C SER A 31 6.063 2.672 7.987 1.00 0.00 C ATOM 492 O SER A 31 4.834 2.762 7.995 1.00 0.00 O ATOM 493 CB SER A 31 7.144 1.364 9.833 1.00 0.00 C ATOM 494 OG SER A 31 7.948 0.238 10.141 1.00 0.00 O ATOM 0 H SER A 31 8.803 0.967 8.086 1.00 0.00 H new ATOM 0 HA SER A 31 6.063 0.549 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.684 2.280 10.074 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.244 1.354 10.447 1.00 0.00 H new ATOM 0 HG SER A 31 8.185 0.256 11.092 1.00 0.00 H new ATOM 500 N THR A 32 6.860 3.673 7.648 1.00 0.00 N ATOM 501 CA THR A 32 6.350 4.968 7.233 1.00 0.00 C ATOM 502 C THR A 32 5.508 4.845 5.958 1.00 0.00 C ATOM 503 O THR A 32 4.421 5.411 5.863 1.00 0.00 O ATOM 504 CB THR A 32 7.522 5.928 6.976 1.00 0.00 C ATOM 505 OG1 THR A 32 8.658 5.502 7.744 1.00 0.00 O ATOM 506 CG2 THR A 32 7.152 7.357 7.351 1.00 0.00 C ATOM 0 H THR A 32 7.878 3.610 7.653 1.00 0.00 H new ATOM 0 HA THR A 32 5.718 5.357 8.032 1.00 0.00 H new ATOM 0 HB THR A 32 7.762 5.909 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.409 6.110 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.000 8.015 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.299 7.681 6.754 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.892 7.400 8.409 1.00 0.00 H new ATOM 514 N GLN A 33 6.000 4.069 4.993 1.00 0.00 N ATOM 515 CA GLN A 33 5.329 3.931 3.709 1.00 0.00 C ATOM 516 C GLN A 33 4.108 3.037 3.852 1.00 0.00 C ATOM 517 O GLN A 33 3.056 3.314 3.277 1.00 0.00 O ATOM 518 CB GLN A 33 6.282 3.350 2.667 1.00 0.00 C ATOM 519 CG GLN A 33 7.584 4.121 2.537 1.00 0.00 C ATOM 520 CD GLN A 33 8.472 3.586 1.434 1.00 0.00 C ATOM 521 OE1 GLN A 33 7.864 3.093 0.367 1.00 0.00 O flip ATOM 522 NE2 GLN A 33 9.693 3.631 1.533 1.00 0.00 N flip ATOM 0 H GLN A 33 6.860 3.528 5.080 1.00 0.00 H new ATOM 0 HA GLN A 33 5.010 4.919 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.506 2.316 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.782 3.333 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.362 5.170 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.122 4.079 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.123 4.019 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.279 3.280 0.776 1.00 0.00 H new ATOM 531 N LEU A 34 4.259 1.967 4.627 1.00 0.00 N ATOM 532 CA LEU A 34 3.145 1.073 4.932 1.00 0.00 C ATOM 533 C LEU A 34 2.006 1.840 5.601 1.00 0.00 C ATOM 534 O LEU A 34 0.832 1.590 5.328 1.00 0.00 O ATOM 535 CB LEU A 34 3.612 -0.074 5.836 1.00 0.00 C ATOM 536 CG LEU A 34 4.662 -1.002 5.221 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.113 -2.037 6.240 1.00 0.00 C ATOM 538 CD2 LEU A 34 4.107 -1.681 3.977 1.00 0.00 C ATOM 0 H LEU A 34 5.144 1.697 5.056 1.00 0.00 H new ATOM 0 HA LEU A 34 2.777 0.654 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.019 0.351 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.744 -0.670 6.118 1.00 0.00 H new ATOM 0 HG LEU A 34 5.527 -0.406 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.860 -2.690 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.546 -1.533 7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.256 -2.631 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.866 -2.338 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.228 -2.268 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.829 -0.925 3.243 1.00 0.00 H new ATOM 550 N CYS A 35 2.362 2.790 6.460 1.00 0.00 N ATOM 551 CA CYS A 35 1.377 3.623 7.134 1.00 0.00 C ATOM 552 C CYS A 35 0.610 4.473 6.121 1.00 0.00 C ATOM 553 O CYS A 35 -0.605 4.638 6.235 1.00 0.00 O ATOM 554 CB CYS A 35 2.057 4.514 8.178 1.00 0.00 C ATOM 555 SG CYS A 35 0.914 5.520 9.148 1.00 0.00 S ATOM 0 H CYS A 35 3.329 3.001 6.705 1.00 0.00 H new ATOM 0 HA CYS A 35 0.666 2.973 7.644 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.635 3.885 8.855 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.764 5.172 7.673 1.00 0.00 H new ATOM 0 HG CYS A 35 1.583 6.235 10.003 1.00 0.00 H new ATOM 561 N VAL A 36 1.320 4.998 5.125 1.00 0.00 N ATOM 562 CA VAL A 36 0.690 5.792 4.071 1.00 0.00 C ATOM 563 C VAL A 36 -0.275 4.932 3.255 1.00 0.00 C ATOM 564 O VAL A 36 -1.377 5.365 2.908 1.00 0.00 O ATOM 565 CB VAL A 36 1.739 6.426 3.127 1.00 0.00 C ATOM 566 CG1 VAL A 36 1.066 7.269 2.052 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.733 7.265 3.917 1.00 0.00 C ATOM 0 H VAL A 36 2.329 4.889 5.025 1.00 0.00 H new ATOM 0 HA VAL A 36 0.139 6.595 4.560 1.00 0.00 H new ATOM 0 HB VAL A 36 2.281 5.619 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.825 7.703 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.399 6.641 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.491 8.067 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.463 7.702 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.203 8.061 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.247 6.634 4.642 1.00 0.00 H new ATOM 577 N LEU A 37 0.141 3.705 2.966 1.00 0.00 N ATOM 578 CA LEU A 37 -0.708 2.757 2.253 1.00 0.00 C ATOM 579 C LEU A 37 -1.972 2.485 3.054 1.00 0.00 C ATOM 580 O LEU A 37 -3.080 2.481 2.516 1.00 0.00 O ATOM 581 CB LEU A 37 0.034 1.440 2.016 1.00 0.00 C ATOM 582 CG LEU A 37 1.307 1.538 1.176 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.978 0.177 1.076 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.994 2.079 -0.210 1.00 0.00 C ATOM 0 H LEU A 37 1.061 3.342 3.214 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.972 3.193 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.292 1.010 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.648 0.743 1.529 1.00 0.00 H new ATOM 0 HG LEU A 37 1.992 2.230 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.883 0.261 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.237 -0.175 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.296 -0.532 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.913 2.141 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.292 1.413 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.552 3.072 -0.122 1.00 0.00 H new ATOM 596 N ASN A 38 -1.787 2.277 4.353 1.00 0.00 N ATOM 597 CA ASN A 38 -2.890 1.979 5.254 1.00 0.00 C ATOM 598 C ASN A 38 -3.848 3.157 5.331 1.00 0.00 C ATOM 599 O ASN A 38 -5.059 2.967 5.395 1.00 0.00 O ATOM 600 CB ASN A 38 -2.355 1.625 6.644 1.00 0.00 C ATOM 601 CG ASN A 38 -3.440 1.148 7.591 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.029 1.935 8.325 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.705 -0.150 7.586 1.00 0.00 N ATOM 0 H ASN A 38 -0.874 2.310 4.807 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.438 1.121 4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.596 0.848 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.865 2.499 7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.421 -0.527 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.193 -0.773 6.961 1.00 0.00 H new ATOM 610 N ASP A 39 -3.303 4.372 5.293 1.00 0.00 N ATOM 611 CA ASP A 39 -4.126 5.581 5.292 1.00 0.00 C ATOM 612 C ASP A 39 -5.132 5.550 4.154 1.00 0.00 C ATOM 613 O ASP A 39 -6.327 5.751 4.363 1.00 0.00 O ATOM 614 CB ASP A 39 -3.269 6.841 5.164 1.00 0.00 C ATOM 615 CG ASP A 39 -4.117 8.077 4.919 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.674 8.623 5.893 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.250 8.496 3.745 1.00 0.00 O ATOM 0 H ASP A 39 -2.298 4.545 5.263 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.654 5.607 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.683 6.976 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.561 6.717 4.344 1.00 0.00 H new ATOM 622 N ARG A 40 -4.643 5.272 2.950 1.00 0.00 N ATOM 623 CA ARG A 40 -5.497 5.219 1.769 1.00 0.00 C ATOM 624 C ARG A 40 -6.598 4.178 1.948 1.00 0.00 C ATOM 625 O ARG A 40 -7.743 4.401 1.558 1.00 0.00 O ATOM 626 CB ARG A 40 -4.673 4.905 0.517 1.00 0.00 C ATOM 627 CG ARG A 40 -4.112 6.132 -0.201 1.00 0.00 C ATOM 628 CD ARG A 40 -3.103 6.909 0.638 1.00 0.00 C ATOM 629 NE ARG A 40 -3.632 8.195 1.098 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.754 9.279 0.323 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.409 9.235 -0.964 1.00 0.00 N ATOM 632 NH2 ARG A 40 -4.207 10.411 0.842 1.00 0.00 N ATOM 0 H ARG A 40 -3.658 5.080 2.766 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.959 6.198 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.845 4.254 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.296 4.345 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.636 5.816 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.934 6.793 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.813 6.309 1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.201 7.079 0.051 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.926 8.269 2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.048 8.370 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.506 10.067 -1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.461 10.454 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.301 11.240 0.255 1.00 0.00 H new ATOM 646 N PHE A 41 -6.241 3.056 2.563 1.00 0.00 N ATOM 647 CA PHE A 41 -7.187 1.977 2.812 1.00 0.00 C ATOM 648 C PHE A 41 -8.146 2.318 3.952 1.00 0.00 C ATOM 649 O PHE A 41 -9.201 1.701 4.096 1.00 0.00 O ATOM 650 CB PHE A 41 -6.443 0.680 3.108 1.00 0.00 C ATOM 651 CG PHE A 41 -5.800 0.113 1.884 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.517 0.058 0.704 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.497 -0.358 1.900 1.00 0.00 C ATOM 654 CE1 PHE A 41 -5.956 -0.450 -0.440 1.00 0.00 C ATOM 655 CE2 PHE A 41 -3.924 -0.874 0.751 1.00 0.00 C ATOM 656 CZ PHE A 41 -4.657 -0.919 -0.423 1.00 0.00 C ATOM 0 H PHE A 41 -5.296 2.870 2.900 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.785 1.844 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.681 0.864 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.138 -0.050 3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.534 0.420 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.925 -0.322 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.530 -0.483 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.908 -1.240 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.214 -1.320 -1.323 1.00 0.00 H new ATOM 666 N GLN A 42 -7.755 3.263 4.799 1.00 0.00 N ATOM 667 CA GLN A 42 -8.647 3.740 5.854 1.00 0.00 C ATOM 668 C GLN A 42 -9.634 4.771 5.308 1.00 0.00 C ATOM 669 O GLN A 42 -10.765 4.875 5.787 1.00 0.00 O ATOM 670 CB GLN A 42 -7.868 4.350 7.026 1.00 0.00 C ATOM 671 CG GLN A 42 -6.949 3.373 7.750 1.00 0.00 C ATOM 672 CD GLN A 42 -7.644 2.085 8.142 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.238 1.984 9.217 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.557 1.085 7.279 1.00 0.00 N ATOM 0 H GLN A 42 -6.839 3.711 4.779 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.196 2.873 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.272 5.183 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.578 4.761 7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.099 3.140 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.552 3.852 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.055 1.212 6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.992 0.187 7.493 1.00 0.00 H new ATOM 683 N ARG A 43 -9.205 5.535 4.306 1.00 0.00 N ATOM 684 CA ARG A 43 -10.051 6.575 3.717 1.00 0.00 C ATOM 685 C ARG A 43 -11.149 5.958 2.855 1.00 0.00 C ATOM 686 O ARG A 43 -12.285 6.440 2.830 1.00 0.00 O ATOM 687 CB ARG A 43 -9.210 7.537 2.875 1.00 0.00 C ATOM 688 CG ARG A 43 -8.026 8.125 3.627 1.00 0.00 C ATOM 689 CD ARG A 43 -8.462 8.853 4.887 1.00 0.00 C ATOM 690 NE ARG A 43 -7.330 9.162 5.752 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.428 9.771 6.930 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.605 10.189 7.383 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.332 9.959 7.654 1.00 0.00 N ATOM 0 H ARG A 43 -8.280 5.455 3.885 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.517 7.130 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.845 7.011 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.846 8.349 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.331 7.328 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.489 8.815 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.974 9.776 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.179 8.239 5.432 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.400 8.893 5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.447 10.044 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.667 10.655 8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.429 9.638 7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.393 10.425 8.559 1.00 0.00 H new ATOM 707 N GLN A 44 -10.792 4.895 2.155 1.00 0.00 N ATOM 708 CA GLN A 44 -11.718 4.172 1.298 1.00 0.00 C ATOM 709 C GLN A 44 -11.312 2.708 1.258 1.00 0.00 C ATOM 710 O GLN A 44 -10.178 2.378 1.593 1.00 0.00 O ATOM 711 CB GLN A 44 -11.704 4.756 -0.119 1.00 0.00 C ATOM 712 CG GLN A 44 -13.013 5.408 -0.548 1.00 0.00 C ATOM 713 CD GLN A 44 -14.133 4.412 -0.812 1.00 0.00 C ATOM 714 OE1 GLN A 44 -14.213 3.352 -0.192 1.00 0.00 O ATOM 715 NE2 GLN A 44 -15.005 4.740 -1.754 1.00 0.00 N ATOM 0 H GLN A 44 -9.849 4.507 2.165 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.728 4.266 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.906 5.495 -0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.461 3.961 -0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.333 6.105 0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.839 5.993 -1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.911 5.626 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -15.770 4.106 -1.983 1.00 0.00 H new ATOM 724 N LYS A 45 -12.225 1.841 0.842 1.00 0.00 N ATOM 725 CA LYS A 45 -11.934 0.416 0.738 1.00 0.00 C ATOM 726 C LYS A 45 -10.818 0.189 -0.272 1.00 0.00 C ATOM 727 O LYS A 45 -9.930 -0.635 -0.062 1.00 0.00 O ATOM 728 CB LYS A 45 -13.181 -0.353 0.299 1.00 0.00 C ATOM 729 CG LYS A 45 -14.332 -0.287 1.286 1.00 0.00 C ATOM 730 CD LYS A 45 -15.574 -0.963 0.728 1.00 0.00 C ATOM 731 CE LYS A 45 -16.691 -1.023 1.758 1.00 0.00 C ATOM 732 NZ LYS A 45 -16.338 -1.887 2.917 1.00 0.00 N ATOM 0 H LYS A 45 -13.174 2.099 0.571 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.620 0.054 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.517 0.040 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.913 -1.397 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.042 -0.768 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.555 0.754 1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.919 -0.421 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.324 -1.973 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.912 -0.016 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.598 -1.402 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.194 -2.092 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.926 -2.778 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.647 -1.395 3.519 1.00 0.00 H new ATOM 746 N TYR A 46 -10.886 0.938 -1.364 1.00 0.00 N ATOM 747 CA TYR A 46 -9.893 0.873 -2.423 1.00 0.00 C ATOM 748 C TYR A 46 -9.665 2.268 -2.985 1.00 0.00 C ATOM 749 O TYR A 46 -10.586 3.087 -3.013 1.00 0.00 O ATOM 750 CB TYR A 46 -10.345 -0.077 -3.542 1.00 0.00 C ATOM 751 CG TYR A 46 -10.536 -1.507 -3.087 1.00 0.00 C ATOM 752 CD1 TYR A 46 -9.463 -2.255 -2.614 1.00 0.00 C ATOM 753 CD2 TYR A 46 -11.792 -2.101 -3.112 1.00 0.00 C ATOM 754 CE1 TYR A 46 -9.636 -3.557 -2.187 1.00 0.00 C ATOM 755 CE2 TYR A 46 -11.972 -3.402 -2.685 1.00 0.00 C ATOM 756 CZ TYR A 46 -10.894 -4.125 -2.220 1.00 0.00 C ATOM 757 OH TYR A 46 -11.074 -5.425 -1.798 1.00 0.00 O ATOM 0 H TYR A 46 -11.634 1.609 -1.539 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.962 0.487 -2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.282 0.290 -3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.607 -0.056 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.479 -1.811 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.640 -1.537 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.792 -4.128 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.954 -3.851 -2.715 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.019 -5.669 -1.885 1.00 0.00 H new ATOM 767 N LEU A 47 -8.445 2.542 -3.422 1.00 0.00 N ATOM 768 CA LEU A 47 -8.110 3.856 -3.949 1.00 0.00 C ATOM 769 C LEU A 47 -8.580 4.014 -5.394 1.00 0.00 C ATOM 770 O LEU A 47 -8.605 3.054 -6.167 1.00 0.00 O ATOM 771 CB LEU A 47 -6.603 4.132 -3.816 1.00 0.00 C ATOM 772 CG LEU A 47 -5.672 2.956 -4.121 1.00 0.00 C ATOM 773 CD1 LEU A 47 -5.511 2.764 -5.618 1.00 0.00 C ATOM 774 CD2 LEU A 47 -4.317 3.171 -3.463 1.00 0.00 C ATOM 0 H LEU A 47 -7.673 1.875 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.640 4.599 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.345 4.955 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.405 4.471 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.121 2.051 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.845 1.922 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.484 2.564 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.088 3.667 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.665 2.327 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.868 4.088 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.445 3.252 -2.384 1.00 0.00 H new ATOM 786 N SER A 48 -8.967 5.233 -5.731 1.00 0.00 N ATOM 787 CA SER A 48 -9.457 5.563 -7.052 1.00 0.00 C ATOM 788 C SER A 48 -8.296 5.737 -8.028 1.00 0.00 C ATOM 789 O SER A 48 -7.123 5.650 -7.647 1.00 0.00 O ATOM 790 CB SER A 48 -10.294 6.845 -6.966 1.00 0.00 C ATOM 791 OG SER A 48 -10.855 7.201 -8.221 1.00 0.00 O ATOM 0 H SER A 48 -8.948 6.025 -5.088 1.00 0.00 H new ATOM 0 HA SER A 48 -10.080 4.750 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.093 6.708 -6.238 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.670 7.662 -6.604 1.00 0.00 H new ATOM 0 HG SER A 48 -11.382 8.022 -8.123 1.00 0.00 H new ATOM 797 N LEU A 49 -8.637 6.017 -9.275 1.00 0.00 N ATOM 798 CA LEU A 49 -7.657 6.171 -10.342 1.00 0.00 C ATOM 799 C LEU A 49 -6.772 7.370 -10.035 1.00 0.00 C ATOM 800 O LEU A 49 -5.560 7.343 -10.241 1.00 0.00 O ATOM 801 CB LEU A 49 -8.382 6.343 -11.694 1.00 0.00 C ATOM 802 CG LEU A 49 -7.501 6.413 -12.955 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.892 7.796 -13.136 1.00 0.00 C ATOM 804 CD2 LEU A 49 -6.408 5.359 -12.903 1.00 0.00 C ATOM 0 H LEU A 49 -9.602 6.145 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.029 5.282 -10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.079 5.513 -11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.978 7.255 -11.646 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.142 6.215 -13.814 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.277 7.808 -14.036 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.688 8.534 -13.231 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.274 8.038 -12.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.796 5.425 -13.803 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.783 5.526 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.860 4.369 -12.843 1.00 0.00 H new ATOM 816 N GLN A 50 -7.388 8.410 -9.504 1.00 0.00 N ATOM 817 CA GLN A 50 -6.680 9.617 -9.160 1.00 0.00 C ATOM 818 C GLN A 50 -5.787 9.392 -7.940 1.00 0.00 C ATOM 819 O GLN A 50 -4.740 10.020 -7.808 1.00 0.00 O ATOM 820 CB GLN A 50 -7.684 10.733 -8.903 1.00 0.00 C ATOM 821 CG GLN A 50 -8.520 11.087 -10.123 1.00 0.00 C ATOM 822 CD GLN A 50 -9.428 12.278 -9.890 1.00 0.00 C ATOM 823 OE1 GLN A 50 -10.562 12.134 -9.434 1.00 0.00 O ATOM 824 NE2 GLN A 50 -8.940 13.466 -10.207 1.00 0.00 N ATOM 0 H GLN A 50 -8.387 8.437 -9.302 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.034 9.904 -9.990 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.348 10.435 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.150 11.622 -8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.857 11.300 -10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.125 10.225 -10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.995 13.545 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.509 14.303 -10.076 1.00 0.00 H new ATOM 833 N GLN A 51 -6.194 8.479 -7.065 1.00 0.00 N ATOM 834 CA GLN A 51 -5.435 8.182 -5.860 1.00 0.00 C ATOM 835 C GLN A 51 -4.203 7.334 -6.164 1.00 0.00 C ATOM 836 O GLN A 51 -3.124 7.603 -5.649 1.00 0.00 O ATOM 837 CB GLN A 51 -6.312 7.474 -4.834 1.00 0.00 C ATOM 838 CG GLN A 51 -7.416 8.344 -4.260 1.00 0.00 C ATOM 839 CD GLN A 51 -8.236 7.625 -3.211 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.220 6.966 -3.530 1.00 0.00 O ATOM 841 NE2 GLN A 51 -7.840 7.749 -1.954 1.00 0.00 N ATOM 0 H GLN A 51 -7.048 7.931 -7.170 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.097 9.133 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.760 6.596 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.683 7.117 -4.018 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.977 9.240 -3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.072 8.672 -5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.015 8.307 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.359 7.287 -1.208 1.00 0.00 H new ATOM 850 N MET A 52 -4.369 6.298 -6.982 1.00 0.00 N ATOM 851 CA MET A 52 -3.247 5.428 -7.345 1.00 0.00 C ATOM 852 C MET A 52 -2.113 6.215 -8.011 1.00 0.00 C ATOM 853 O MET A 52 -0.948 6.040 -7.658 1.00 0.00 O ATOM 854 CB MET A 52 -3.705 4.267 -8.244 1.00 0.00 C ATOM 855 CG MET A 52 -4.375 4.689 -9.539 1.00 0.00 C ATOM 856 SD MET A 52 -5.055 3.291 -10.456 1.00 0.00 S ATOM 857 CE MET A 52 -6.294 2.691 -9.307 1.00 0.00 C ATOM 0 H MET A 52 -5.261 6.039 -7.405 1.00 0.00 H new ATOM 0 HA MET A 52 -2.859 5.005 -6.419 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.840 3.649 -8.484 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.397 3.641 -7.681 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.174 5.396 -9.317 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.652 5.212 -10.165 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.189 2.399 -9.857 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.902 1.829 -8.767 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.545 3.480 -8.598 1.00 0.00 H new ATOM 867 N GLN A 53 -2.446 7.097 -8.952 1.00 0.00 N ATOM 868 CA GLN A 53 -1.430 7.908 -9.615 1.00 0.00 C ATOM 869 C GLN A 53 -0.849 8.940 -8.645 1.00 0.00 C ATOM 870 O GLN A 53 0.346 9.244 -8.691 1.00 0.00 O ATOM 871 CB GLN A 53 -1.999 8.593 -10.866 1.00 0.00 C ATOM 872 CG GLN A 53 -3.264 9.392 -10.614 1.00 0.00 C ATOM 873 CD GLN A 53 -3.783 10.089 -11.861 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.511 9.520 -13.031 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -4.424 11.137 -11.774 1.00 0.00 N flip ATOM 0 H GLN A 53 -3.401 7.266 -9.269 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.625 7.247 -9.935 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.240 9.256 -11.281 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.206 7.834 -11.620 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.036 8.727 -10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.069 10.137 -9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.613 11.544 -10.858 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.765 11.598 -12.618 1.00 0.00 H new ATOM 884 N GLU A 54 -1.700 9.457 -7.755 1.00 0.00 N ATOM 885 CA GLU A 54 -1.262 10.386 -6.718 1.00 0.00 C ATOM 886 C GLU A 54 -0.220 9.721 -5.829 1.00 0.00 C ATOM 887 O GLU A 54 0.893 10.222 -5.674 1.00 0.00 O ATOM 888 CB GLU A 54 -2.463 10.832 -5.870 1.00 0.00 C ATOM 889 CG GLU A 54 -2.102 11.711 -4.683 1.00 0.00 C ATOM 890 CD GLU A 54 -3.270 11.924 -3.738 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.523 11.040 -2.888 1.00 0.00 O ATOM 892 OE2 GLU A 54 -3.942 12.972 -3.843 1.00 0.00 O ATOM 0 H GLU A 54 -2.698 9.246 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.818 11.261 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.162 11.373 -6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.984 9.947 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.276 11.256 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.751 12.678 -5.045 1.00 0.00 H new ATOM 899 N LEU A 55 -0.581 8.564 -5.294 1.00 0.00 N ATOM 900 CA LEU A 55 0.263 7.841 -4.360 1.00 0.00 C ATOM 901 C LEU A 55 1.600 7.477 -4.990 1.00 0.00 C ATOM 902 O LEU A 55 2.644 7.599 -4.357 1.00 0.00 O ATOM 903 CB LEU A 55 -0.455 6.581 -3.871 1.00 0.00 C ATOM 904 CG LEU A 55 0.282 5.781 -2.796 1.00 0.00 C ATOM 905 CD1 LEU A 55 0.509 6.627 -1.551 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.499 4.523 -2.448 1.00 0.00 C ATOM 0 H LEU A 55 -1.467 8.102 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 55 0.462 8.492 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.431 6.868 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.633 5.930 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 55 1.256 5.491 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.035 6.036 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.107 7.501 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.452 6.950 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.037 3.963 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.485 4.799 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.609 3.905 -3.339 1.00 0.00 H new ATOM 918 N SER A 56 1.555 7.052 -6.242 1.00 0.00 N ATOM 919 CA SER A 56 2.762 6.661 -6.961 1.00 0.00 C ATOM 920 C SER A 56 3.799 7.785 -6.970 1.00 0.00 C ATOM 921 O SER A 56 4.945 7.590 -6.560 1.00 0.00 O ATOM 922 CB SER A 56 2.417 6.266 -8.401 1.00 0.00 C ATOM 923 OG SER A 56 1.453 5.228 -8.440 1.00 0.00 O ATOM 0 H SER A 56 0.695 6.968 -6.784 1.00 0.00 H new ATOM 0 HA SER A 56 3.192 5.805 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.038 7.136 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.321 5.943 -8.917 1.00 0.00 H new ATOM 0 HG SER A 56 0.557 5.617 -8.523 1.00 0.00 H new ATOM 929 N ASN A 57 3.380 8.965 -7.411 1.00 0.00 N ATOM 930 CA ASN A 57 4.287 10.105 -7.530 1.00 0.00 C ATOM 931 C ASN A 57 4.857 10.500 -6.172 1.00 0.00 C ATOM 932 O ASN A 57 6.019 10.897 -6.067 1.00 0.00 O ATOM 933 CB ASN A 57 3.562 11.298 -8.167 1.00 0.00 C ATOM 934 CG ASN A 57 4.430 12.543 -8.236 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.412 13.380 -7.334 1.00 0.00 O ATOM 936 ND2 ASN A 57 5.196 12.673 -9.306 1.00 0.00 N ATOM 0 H ASN A 57 2.419 9.160 -7.692 1.00 0.00 H new ATOM 0 HA ASN A 57 5.116 9.809 -8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.241 11.028 -9.173 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.662 11.519 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.800 13.489 -9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.183 11.957 -10.033 1.00 0.00 H new ATOM 943 N ILE A 58 4.045 10.368 -5.136 1.00 0.00 N ATOM 944 CA ILE A 58 4.432 10.800 -3.801 1.00 0.00 C ATOM 945 C ILE A 58 5.308 9.769 -3.098 1.00 0.00 C ATOM 946 O ILE A 58 6.303 10.124 -2.466 1.00 0.00 O ATOM 947 CB ILE A 58 3.190 11.089 -2.943 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.244 11.997 -3.726 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.586 11.724 -1.612 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.013 12.414 -2.960 1.00 0.00 C ATOM 0 H ILE A 58 3.110 9.964 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 58 5.014 11.714 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 58 2.680 10.153 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.787 12.891 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.935 11.483 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.691 11.920 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.240 11.045 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.110 12.661 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.395 13.057 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.444 11.529 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.309 12.958 -2.063 1.00 0.00 H new ATOM 962 N LEU A 59 4.959 8.493 -3.231 1.00 0.00 N ATOM 963 CA LEU A 59 5.676 7.434 -2.529 1.00 0.00 C ATOM 964 C LEU A 59 6.899 6.991 -3.331 1.00 0.00 C ATOM 965 O LEU A 59 7.594 6.049 -2.950 1.00 0.00 O ATOM 966 CB LEU A 59 4.740 6.246 -2.267 1.00 0.00 C ATOM 967 CG LEU A 59 5.202 5.275 -1.179 1.00 0.00 C ATOM 968 CD1 LEU A 59 5.386 6.009 0.142 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.199 4.142 -1.021 1.00 0.00 C ATOM 0 H LEU A 59 4.188 8.168 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 59 6.021 7.822 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.758 6.632 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.616 5.691 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 59 6.161 4.850 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.715 5.305 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.136 6.791 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.439 6.457 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.541 3.459 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.228 4.552 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.108 3.602 -1.964 1.00 0.00 H new ATOM 981 N ASN A 60 7.143 7.687 -4.443 1.00 0.00 N ATOM 982 CA ASN A 60 8.306 7.438 -5.301 1.00 0.00 C ATOM 983 C ASN A 60 8.250 6.025 -5.885 1.00 0.00 C ATOM 984 O ASN A 60 9.273 5.384 -6.127 1.00 0.00 O ATOM 985 CB ASN A 60 9.614 7.665 -4.526 1.00 0.00 C ATOM 986 CG ASN A 60 10.831 7.728 -5.435 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.733 8.122 -6.598 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.989 7.355 -4.908 1.00 0.00 N ATOM 0 H ASN A 60 6.540 8.440 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 60 8.281 8.147 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.540 8.594 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.747 6.861 -3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.840 7.389 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.029 7.034 -3.941 1.00 0.00 H new ATOM 995 N LEU A 61 7.037 5.557 -6.133 1.00 0.00 N ATOM 996 CA LEU A 61 6.830 4.249 -6.726 1.00 0.00 C ATOM 997 C LEU A 61 6.225 4.402 -8.107 1.00 0.00 C ATOM 998 O LEU A 61 5.711 5.466 -8.457 1.00 0.00 O ATOM 999 CB LEU A 61 5.914 3.390 -5.850 1.00 0.00 C ATOM 1000 CG LEU A 61 6.464 3.040 -4.466 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.494 2.134 -3.728 1.00 0.00 C ATOM 1002 CD2 LEU A 61 7.827 2.374 -4.584 1.00 0.00 C ATOM 0 H LEU A 61 6.178 6.068 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 61 7.796 3.750 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.966 3.913 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.698 2.463 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 61 6.581 3.963 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.898 1.893 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.537 2.643 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.350 1.215 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.201 2.133 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.735 1.459 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.522 3.053 -5.079 1.00 0.00 H new ATOM 1014 N SER A 62 6.302 3.349 -8.893 1.00 0.00 N ATOM 1015 CA SER A 62 5.739 3.365 -10.225 1.00 0.00 C ATOM 1016 C SER A 62 4.233 3.134 -10.158 1.00 0.00 C ATOM 1017 O SER A 62 3.745 2.417 -9.282 1.00 0.00 O ATOM 1018 CB SER A 62 6.415 2.298 -11.091 1.00 0.00 C ATOM 1019 OG SER A 62 5.815 2.210 -12.375 1.00 0.00 O ATOM 0 H SER A 62 6.750 2.471 -8.632 1.00 0.00 H new ATOM 0 HA SER A 62 5.917 4.340 -10.678 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.474 2.533 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.353 1.331 -10.592 1.00 0.00 H new ATOM 0 HG SER A 62 6.271 1.521 -12.903 1.00 0.00 H new ATOM 1025 N TYR A 63 3.510 3.755 -11.080 1.00 0.00 N ATOM 1026 CA TYR A 63 2.066 3.576 -11.185 1.00 0.00 C ATOM 1027 C TYR A 63 1.715 2.096 -11.279 1.00 0.00 C ATOM 1028 O TYR A 63 0.734 1.651 -10.700 1.00 0.00 O ATOM 1029 CB TYR A 63 1.521 4.338 -12.401 1.00 0.00 C ATOM 1030 CG TYR A 63 0.106 3.958 -12.797 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.995 4.553 -12.191 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.126 3.002 -13.779 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.286 4.206 -12.554 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.411 2.650 -14.147 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.489 3.252 -13.530 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.774 2.899 -13.893 1.00 0.00 O ATOM 0 H TYR A 63 3.903 4.393 -11.772 1.00 0.00 H new ATOM 0 HA TYR A 63 1.601 3.981 -10.286 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.551 5.407 -12.188 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.182 4.163 -13.250 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.841 5.298 -11.425 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.713 2.525 -14.263 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.130 4.680 -12.075 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.571 1.907 -14.914 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.751 2.407 -14.740 1.00 0.00 H new ATOM 1046 N LYS A 64 2.542 1.331 -11.983 1.00 0.00 N ATOM 1047 CA LYS A 64 2.308 -0.092 -12.141 1.00 0.00 C ATOM 1048 C LYS A 64 2.455 -0.800 -10.806 1.00 0.00 C ATOM 1049 O LYS A 64 1.684 -1.697 -10.482 1.00 0.00 O ATOM 1050 CB LYS A 64 3.278 -0.696 -13.153 1.00 0.00 C ATOM 1051 CG LYS A 64 3.003 -0.298 -14.589 1.00 0.00 C ATOM 1052 CD LYS A 64 3.818 -1.144 -15.550 1.00 0.00 C ATOM 1053 CE LYS A 64 3.544 -0.771 -16.995 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.040 0.590 -17.332 1.00 0.00 N ATOM 0 H LYS A 64 3.379 1.676 -12.452 1.00 0.00 H new ATOM 0 HA LYS A 64 1.292 -0.227 -12.511 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.292 -0.395 -12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.238 -1.782 -13.075 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.941 -0.414 -14.806 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.244 0.756 -14.731 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.879 -1.018 -15.336 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.585 -2.198 -15.395 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.018 -1.501 -17.652 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.472 -0.821 -17.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.953 0.747 -18.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.476 1.301 -16.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.038 0.675 -17.052 1.00 0.00 H new ATOM 1068 N GLN A 65 3.440 -0.372 -10.026 1.00 0.00 N ATOM 1069 CA GLN A 65 3.680 -0.947 -8.712 1.00 0.00 C ATOM 1070 C GLN A 65 2.513 -0.656 -7.782 1.00 0.00 C ATOM 1071 O GLN A 65 2.033 -1.550 -7.083 1.00 0.00 O ATOM 1072 CB GLN A 65 4.973 -0.402 -8.106 1.00 0.00 C ATOM 1073 CG GLN A 65 6.216 -0.780 -8.891 1.00 0.00 C ATOM 1074 CD GLN A 65 7.482 -0.251 -8.253 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.564 -0.107 -7.035 1.00 0.00 O ATOM 1076 NE2 GLN A 65 8.475 0.042 -9.073 1.00 0.00 N ATOM 0 H GLN A 65 4.086 0.374 -10.283 1.00 0.00 H new ATOM 0 HA GLN A 65 3.779 -2.026 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.907 0.684 -8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.071 -0.772 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.277 -1.865 -8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.134 -0.392 -9.906 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.363 -0.093 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.353 0.403 -8.701 1.00 0.00 H new ATOM 1085 N VAL A 66 2.041 0.588 -7.801 1.00 0.00 N ATOM 1086 CA VAL A 66 0.958 0.994 -6.907 1.00 0.00 C ATOM 1087 C VAL A 66 -0.381 0.417 -7.373 1.00 0.00 C ATOM 1088 O VAL A 66 -1.177 -0.072 -6.570 1.00 0.00 O ATOM 1089 CB VAL A 66 0.864 2.533 -6.790 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.328 2.940 -5.932 1.00 0.00 C ATOM 1091 CG2 VAL A 66 2.152 3.088 -6.202 1.00 0.00 C ATOM 0 H VAL A 66 2.385 1.325 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 66 1.187 0.594 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 66 0.721 2.948 -7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.373 4.027 -5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.246 2.566 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.218 2.519 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.078 4.173 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.313 2.662 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.989 2.828 -6.850 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.604 0.449 -8.678 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.845 -0.038 -9.267 1.00 0.00 C ATOM 1103 C LYS A 67 -1.974 -1.547 -9.078 1.00 0.00 C ATOM 1104 O LYS A 67 -3.052 -2.057 -8.772 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.877 0.323 -10.755 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.264 0.557 -11.324 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.993 -0.736 -11.618 1.00 0.00 C ATOM 1108 CE LYS A 67 -5.290 -0.464 -12.359 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.065 0.343 -13.592 1.00 0.00 N ATOM 0 H LYS A 67 0.066 0.811 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.689 0.436 -8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.280 1.222 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.399 -0.478 -11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.848 1.148 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.184 1.142 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.357 -1.390 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.204 -1.260 -10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.762 -1.410 -12.625 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.981 0.063 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.956 0.422 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.733 1.293 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.348 -0.122 -14.185 1.00 0.00 H new ATOM 1123 N THR A 68 -0.866 -2.252 -9.248 1.00 0.00 N ATOM 1124 CA THR A 68 -0.849 -3.695 -9.080 1.00 0.00 C ATOM 1125 C THR A 68 -1.028 -4.068 -7.613 1.00 0.00 C ATOM 1126 O THR A 68 -1.729 -5.025 -7.297 1.00 0.00 O ATOM 1127 CB THR A 68 0.455 -4.308 -9.629 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.568 -4.009 -11.026 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.486 -5.817 -9.427 1.00 0.00 C ATOM 0 H THR A 68 0.034 -1.846 -9.503 1.00 0.00 H new ATOM 0 HA THR A 68 -1.683 -4.103 -9.651 1.00 0.00 H new ATOM 0 HB THR A 68 1.294 -3.876 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.174 -3.249 -11.150 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.418 -6.218 -9.825 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.418 -6.043 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.356 -6.271 -9.949 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.413 -3.293 -6.721 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.575 -3.509 -5.287 1.00 0.00 C ATOM 1139 C TRP A 69 -2.049 -3.396 -4.913 1.00 0.00 C ATOM 1140 O TRP A 69 -2.595 -4.244 -4.207 1.00 0.00 O ATOM 1141 CB TRP A 69 0.244 -2.486 -4.497 1.00 0.00 C ATOM 1142 CG TRP A 69 1.261 -3.105 -3.586 1.00 0.00 C ATOM 1143 CD1 TRP A 69 2.523 -3.504 -3.918 1.00 0.00 C ATOM 1144 CD2 TRP A 69 1.102 -3.398 -2.191 1.00 0.00 C ATOM 1145 NE1 TRP A 69 3.159 -4.023 -2.817 1.00 0.00 N ATOM 1146 CE2 TRP A 69 2.308 -3.971 -1.745 1.00 0.00 C ATOM 1147 CE3 TRP A 69 0.058 -3.232 -1.277 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 2.499 -4.375 -0.424 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 0.246 -3.634 0.032 1.00 0.00 C ATOM 1150 CH2 TRP A 69 1.458 -4.200 0.448 1.00 0.00 C ATOM 0 H TRP A 69 0.199 -2.514 -6.966 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.216 -4.508 -5.039 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.752 -1.822 -5.196 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.433 -1.869 -3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.958 -3.423 -4.903 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.111 -4.388 -2.800 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.880 -2.797 -1.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 3.433 -4.810 -0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.555 -3.510 0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.574 -4.505 1.478 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.682 -2.344 -5.423 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.109 -2.120 -5.238 1.00 0.00 C ATOM 1163 C PHE A 70 -4.928 -3.288 -5.788 1.00 0.00 C ATOM 1164 O PHE A 70 -5.772 -3.846 -5.087 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.507 -0.804 -5.927 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.919 -0.758 -6.443 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.991 -0.626 -5.580 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.166 -0.837 -7.805 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.284 -0.576 -6.067 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.454 -0.790 -8.296 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.515 -0.658 -7.426 1.00 0.00 C ATOM 0 H PHE A 70 -2.218 -1.623 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.321 -2.049 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.367 0.015 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.826 -0.627 -6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.817 -0.561 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.338 -0.937 -8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.114 -0.473 -5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.631 -0.856 -9.359 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.525 -0.619 -7.806 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.665 -3.660 -7.037 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.439 -4.698 -7.709 1.00 0.00 C ATOM 1183 C GLN A 71 -5.235 -6.053 -7.035 1.00 0.00 C ATOM 1184 O GLN A 71 -6.151 -6.873 -6.967 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.033 -4.786 -9.182 1.00 0.00 C ATOM 1186 CG GLN A 71 -6.068 -5.465 -10.060 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.329 -4.636 -10.206 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.268 -4.758 -9.423 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.354 -3.783 -11.214 1.00 0.00 N ATOM 0 H GLN A 71 -3.920 -3.257 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.494 -4.433 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.852 -3.780 -9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.091 -5.330 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.641 -5.650 -11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.321 -6.436 -9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.553 -3.712 -11.842 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.174 -3.195 -11.364 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.032 -6.267 -6.529 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.668 -7.522 -5.894 1.00 0.00 C ATOM 1200 C ASN A 72 -4.376 -7.662 -4.556 1.00 0.00 C ATOM 1201 O ASN A 72 -5.044 -8.660 -4.306 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.152 -7.603 -5.713 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.688 -8.963 -5.239 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.551 -9.203 -4.044 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.442 -9.864 -6.180 1.00 0.00 N ATOM 0 H ASN A 72 -3.281 -5.577 -6.547 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.983 -8.344 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.665 -7.368 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.836 -6.846 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.126 -10.799 -5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.569 -9.623 -7.163 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.255 -6.642 -3.711 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.951 -6.625 -2.427 1.00 0.00 C ATOM 1214 C GLN A 73 -6.459 -6.668 -2.634 1.00 0.00 C ATOM 1215 O GLN A 73 -7.193 -7.242 -1.830 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.557 -5.384 -1.619 1.00 0.00 C ATOM 1217 CG GLN A 73 -3.193 -5.506 -0.953 1.00 0.00 C ATOM 1218 CD GLN A 73 -3.163 -6.558 0.142 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -4.286 -6.743 0.823 1.00 0.00 O flip ATOM 1220 NE2 GLN A 73 -2.137 -7.194 0.382 1.00 0.00 N flip ATOM 0 H GLN A 73 -3.682 -5.817 -3.891 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.656 -7.511 -1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.555 -4.516 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.312 -5.202 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.446 -5.753 -1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.913 -4.541 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.292 -7.024 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.132 -7.891 1.126 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.908 -6.064 -3.727 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.314 -6.093 -4.103 1.00 0.00 C ATOM 1231 C ARG A 74 -8.753 -7.517 -4.424 1.00 0.00 C ATOM 1232 O ARG A 74 -9.794 -7.979 -3.950 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.554 -5.182 -5.313 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.003 -5.111 -5.765 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.142 -4.247 -7.006 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.528 -4.132 -7.453 1.00 0.00 N ATOM 1237 CZ ARG A 74 -11.884 -3.919 -8.720 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -10.969 -3.898 -9.681 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.159 -3.754 -9.035 1.00 0.00 N ATOM 0 H ARG A 74 -6.313 -5.545 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.905 -5.730 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.212 -4.176 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.943 -5.534 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.373 -6.115 -5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.619 -4.704 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.746 -3.253 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.538 -4.670 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.267 -4.220 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.986 -4.045 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.249 -3.734 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.873 -3.790 -8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.428 -3.591 -10.005 1.00 0.00 H new ATOM 1253 N MET A 75 -7.954 -8.215 -5.225 1.00 0.00 N ATOM 1254 CA MET A 75 -8.303 -9.572 -5.636 1.00 0.00 C ATOM 1255 C MET A 75 -8.007 -10.602 -4.541 1.00 0.00 C ATOM 1256 O MET A 75 -8.347 -11.772 -4.689 1.00 0.00 O ATOM 1257 CB MET A 75 -7.584 -9.964 -6.933 1.00 0.00 C ATOM 1258 CG MET A 75 -6.081 -10.134 -6.795 1.00 0.00 C ATOM 1259 SD MET A 75 -5.314 -10.726 -8.317 1.00 0.00 S ATOM 1260 CE MET A 75 -5.765 -9.421 -9.463 1.00 0.00 C ATOM 0 H MET A 75 -7.070 -7.869 -5.599 1.00 0.00 H new ATOM 0 HA MET A 75 -9.378 -9.574 -5.816 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.010 -10.897 -7.301 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.783 -9.203 -7.688 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.634 -9.180 -6.513 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.870 -10.836 -5.988 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.142 -9.489 -10.355 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.813 -9.529 -9.743 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.614 -8.452 -8.988 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.365 -10.175 -3.455 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.031 -11.083 -2.356 1.00 0.00 C ATOM 1272 C LYS A 76 -8.276 -11.522 -1.598 1.00 0.00 C ATOM 1273 O LYS A 76 -8.574 -12.715 -1.512 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.070 -10.411 -1.369 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.634 -10.285 -1.853 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.928 -11.631 -1.913 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.442 -11.454 -2.193 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.702 -12.744 -2.172 1.00 0.00 N ATOM 0 H LYS A 76 -7.066 -9.210 -3.311 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.555 -11.957 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.448 -9.415 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.075 -10.978 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.625 -9.827 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.085 -9.618 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.064 -12.160 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.378 -12.248 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.313 -10.980 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.013 -10.780 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.696 -12.570 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.801 -13.186 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.091 -13.379 -2.898 1.00 0.00 H new ATOM 1292 N SER A 77 -9.008 -10.549 -1.075 1.00 0.00 N ATOM 1293 CA SER A 77 -10.108 -10.813 -0.156 1.00 0.00 C ATOM 1294 C SER A 77 -11.270 -11.541 -0.830 1.00 0.00 C ATOM 1295 O SER A 77 -11.939 -12.362 -0.204 1.00 0.00 O ATOM 1296 CB SER A 77 -10.600 -9.496 0.446 1.00 0.00 C ATOM 1297 OG SER A 77 -9.515 -8.743 0.962 1.00 0.00 O ATOM 0 H SER A 77 -8.858 -9.560 -1.273 1.00 0.00 H new ATOM 0 HA SER A 77 -9.729 -11.468 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 77 -11.122 -8.916 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.318 -9.700 1.240 1.00 0.00 H new ATOM 0 HG SER A 77 -9.850 -7.904 1.341 1.00 0.00 H new ATOM 1303 N LYS A 78 -11.487 -11.264 -2.107 1.00 0.00 N ATOM 1304 CA LYS A 78 -12.655 -11.783 -2.812 1.00 0.00 C ATOM 1305 C LYS A 78 -12.514 -13.277 -3.120 1.00 0.00 C ATOM 1306 O LYS A 78 -13.482 -13.937 -3.494 1.00 0.00 O ATOM 1307 CB LYS A 78 -12.900 -10.977 -4.091 1.00 0.00 C ATOM 1308 CG LYS A 78 -14.270 -11.215 -4.706 1.00 0.00 C ATOM 1309 CD LYS A 78 -14.623 -10.146 -5.723 1.00 0.00 C ATOM 1310 CE LYS A 78 -16.047 -10.313 -6.228 1.00 0.00 C ATOM 1311 NZ LYS A 78 -16.488 -9.150 -7.038 1.00 0.00 N ATOM 0 H LYS A 78 -10.872 -10.684 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.520 -11.673 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.790 -9.916 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.133 -11.230 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.288 -12.194 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.024 -11.232 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.508 -9.160 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.929 -10.196 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.115 -11.220 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.720 -10.441 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.464 -9.303 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.448 -8.288 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.862 -9.043 -7.861 1.00 0.00 H new ATOM 1325 N ARG A 79 -11.305 -13.809 -2.963 1.00 0.00 N ATOM 1326 CA ARG A 79 -11.059 -15.228 -3.207 1.00 0.00 C ATOM 1327 C ARG A 79 -11.563 -16.069 -2.038 1.00 0.00 C ATOM 1328 O ARG A 79 -11.713 -17.287 -2.154 1.00 0.00 O ATOM 1329 CB ARG A 79 -9.566 -15.490 -3.418 1.00 0.00 C ATOM 1330 CG ARG A 79 -8.971 -14.734 -4.590 1.00 0.00 C ATOM 1331 CD ARG A 79 -7.487 -15.025 -4.749 1.00 0.00 C ATOM 1332 NE ARG A 79 -6.890 -14.230 -5.824 1.00 0.00 N ATOM 1333 CZ ARG A 79 -5.820 -14.605 -6.531 1.00 0.00 C ATOM 1334 NH1 ARG A 79 -5.198 -15.744 -6.254 1.00 0.00 N ATOM 1335 NH2 ARG A 79 -5.360 -13.826 -7.506 1.00 0.00 N ATOM 0 H ARG A 79 -10.483 -13.282 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.600 -15.511 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.027 -15.217 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.412 -16.558 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.496 -15.008 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.119 -13.664 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.973 -14.814 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.345 -16.085 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.319 -13.332 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.536 -16.339 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.382 -16.025 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.824 -12.942 -7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.543 -14.113 -8.045 1.00 0.00 H new ATOM 1349 N TRP A 80 -11.826 -15.413 -0.916 1.00 0.00 N ATOM 1350 CA TRP A 80 -12.246 -16.104 0.294 1.00 0.00 C ATOM 1351 C TRP A 80 -13.748 -15.955 0.494 1.00 0.00 C ATOM 1352 O TRP A 80 -14.298 -14.874 0.284 1.00 0.00 O ATOM 1353 CB TRP A 80 -11.501 -15.540 1.507 1.00 0.00 C ATOM 1354 CG TRP A 80 -10.972 -16.596 2.425 1.00 0.00 C ATOM 1355 CD1 TRP A 80 -11.580 -17.102 3.537 1.00 0.00 C ATOM 1356 CD2 TRP A 80 -9.718 -17.276 2.306 1.00 0.00 C ATOM 1357 NE1 TRP A 80 -10.780 -18.054 4.118 1.00 0.00 N ATOM 1358 CE2 TRP A 80 -9.631 -18.179 3.378 1.00 0.00 C ATOM 1359 CE3 TRP A 80 -8.662 -17.208 1.393 1.00 0.00 C ATOM 1360 CZ2 TRP A 80 -8.527 -19.008 3.566 1.00 0.00 C ATOM 1361 CZ3 TRP A 80 -7.567 -18.027 1.578 1.00 0.00 C ATOM 1362 CH2 TRP A 80 -7.507 -18.919 2.655 1.00 0.00 C ATOM 0 H TRP A 80 -11.755 -14.400 -0.819 1.00 0.00 H new ATOM 0 HA TRP A 80 -12.008 -17.163 0.190 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -10.672 -14.923 1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -12.173 -14.888 2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.549 -16.798 3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -11.003 -18.582 4.962 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.702 -16.526 0.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.477 -19.695 4.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -6.743 -17.979 0.881 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -6.639 -19.550 2.771 1.00 0.00 H new ATOM 1373 N GLN A 81 -14.406 -17.049 0.892 1.00 0.00 N ATOM 1374 CA GLN A 81 -15.854 -17.049 1.124 1.00 0.00 C ATOM 1375 C GLN A 81 -16.599 -16.683 -0.157 1.00 0.00 C ATOM 1376 O GLN A 81 -17.659 -16.050 -0.122 1.00 0.00 O ATOM 1377 CB GLN A 81 -16.217 -16.071 2.249 1.00 0.00 C ATOM 1378 CG GLN A 81 -15.638 -16.454 3.601 1.00 0.00 C ATOM 1379 CD GLN A 81 -15.967 -15.439 4.681 1.00 0.00 C ATOM 1380 OE1 GLN A 81 -17.001 -14.771 4.635 1.00 0.00 O ATOM 1381 NE2 GLN A 81 -15.094 -15.315 5.669 1.00 0.00 N ATOM 0 H GLN A 81 -13.957 -17.949 1.061 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.154 -18.052 1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.864 -15.075 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.302 -16.013 2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.023 -17.430 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.556 -16.551 3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.248 -15.884 5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.268 -14.650 6.423 1.00 0.00 H new ATOM 1390 N LYS A 82 -16.040 -17.121 -1.279 1.00 0.00 N ATOM 1391 CA LYS A 82 -16.563 -16.797 -2.601 1.00 0.00 C ATOM 1392 C LYS A 82 -18.007 -17.262 -2.778 1.00 0.00 C ATOM 1393 O LYS A 82 -18.327 -18.434 -2.581 1.00 0.00 O ATOM 1394 CB LYS A 82 -15.681 -17.438 -3.676 1.00 0.00 C ATOM 1395 CG LYS A 82 -16.194 -17.236 -5.092 1.00 0.00 C ATOM 1396 CD LYS A 82 -15.374 -18.026 -6.094 1.00 0.00 C ATOM 1397 CE LYS A 82 -15.942 -17.901 -7.496 1.00 0.00 C ATOM 1398 NZ LYS A 82 -15.200 -18.747 -8.463 1.00 0.00 N ATOM 0 H LYS A 82 -15.209 -17.712 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.551 -15.712 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.675 -17.024 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.601 -18.507 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.238 -17.544 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.160 -16.176 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.344 -17.670 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.352 -19.076 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.993 -18.190 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.899 -16.860 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.615 -18.637 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.202 -18.455 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.262 -19.743 -8.172 1.00 0.00 H new ATOM 1412 N ASN A 83 -18.867 -16.327 -3.146 1.00 0.00 N ATOM 1413 CA ASN A 83 -20.250 -16.637 -3.472 1.00 0.00 C ATOM 1414 C ASN A 83 -20.448 -16.529 -4.978 1.00 0.00 C ATOM 1415 O ASN A 83 -20.413 -15.429 -5.534 1.00 0.00 O ATOM 1416 CB ASN A 83 -21.199 -15.673 -2.755 1.00 0.00 C ATOM 1417 CG ASN A 83 -22.664 -15.934 -3.076 1.00 0.00 C ATOM 1418 OD1 ASN A 83 -23.453 -15.001 -3.216 1.00 0.00 O ATOM 1419 ND2 ASN A 83 -23.049 -17.198 -3.165 1.00 0.00 N ATOM 0 H ASN A 83 -18.629 -15.338 -3.227 1.00 0.00 H new ATOM 0 HA ASN A 83 -20.473 -17.652 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -21.048 -15.756 -1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -20.948 -14.650 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.026 -17.421 -3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -22.369 -17.948 -3.044 1.00 0.00 H new ATOM 1426 N ASN A 84 -20.636 -17.660 -5.640 1.00 0.00 N ATOM 1427 CA ASN A 84 -20.763 -17.672 -7.087 1.00 0.00 C ATOM 1428 C ASN A 84 -22.208 -17.929 -7.490 1.00 0.00 C ATOM 1429 O ASN A 84 -22.955 -16.947 -7.673 1.00 0.00 O ATOM 1430 CB ASN A 84 -19.840 -18.730 -7.699 1.00 0.00 C ATOM 1431 CG ASN A 84 -19.718 -18.589 -9.204 1.00 0.00 C ATOM 1432 OD1 ASN A 84 -18.864 -17.853 -9.700 1.00 0.00 O ATOM 1433 ND2 ASN A 84 -20.562 -19.289 -9.941 1.00 0.00 N ATOM 1434 OXT ASN A 84 -22.602 -19.111 -7.603 1.00 0.00 O ATOM 0 H ASN A 84 -20.704 -18.578 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 84 -20.465 -16.695 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.851 -18.650 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -20.221 -19.723 -7.459 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.520 -19.231 -10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -21.255 -19.888 -9.493 1.00 0.00 H new TER 1441 ASN A 84