USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 904 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 119 GLN : amide:sc= 0.677 X(o=1.4,f=1.5) USER MOD Set 1.2: A 121 THR OG1 : rot 130:sc= 0.74 USER MOD Set 2.1: A 77 SER OG : rot 29:sc= 0.258 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -110:sc= -0.599 (180deg=-2.39!) USER MOD Set 3.1: A 42 GLN : amide:sc= -0.619! C(o=-0.61!,f=-7.4!) USER MOD Set 3.2: A 46 CYS SG : rot -65:sc= -0.806 USER MOD Set 3.3: A 48 TYR OH : rot 180:sc= 0.813 USER MOD Set 4.1: A 36 SER OG : rot -144:sc= 0.345 USER MOD Set 4.2: A 51 GLN : amide:sc= 0 K(o=0.34,f=-0.19) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.0378 (180deg=-0.219) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.23) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.822 F(o=-1.8!,f=-0.82) USER MOD Single : A 31 ASN :FLIP amide:sc= 0.841 F(o=-1.3,f=0.84) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 20:sc= 0.452 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-2.1,f=0) USER MOD Single : A 56 THR OG1 : rot 120:sc= 0.229 USER MOD Single : A 63 THR OG1 : rot -46:sc= 0.277 USER MOD Single : A 71 THR OG1 : rot -20:sc= 0.0547 USER MOD Single : A 74 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.83) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.124 (180deg=-0.541) USER MOD Single : A 82 THR OG1 : rot -65:sc= -0.27 USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= 0.987 (180deg=-0.692!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -116:sc= -1.41 (180deg=-2.86) USER MOD Single : A 91 GLN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 100 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.52) USER MOD Single : A 101 TYR OH : rot -125:sc= 0.00841 USER MOD Single : A 102 ASN :FLIP amide:sc= -8.41! C(o=-11!,f=-8.4!) USER MOD Single : A 103 LYS NZ :NH3+ -151:sc= 0.186 (180deg=-1.27!) USER MOD Single : A 105 GLN : amide:sc= -0.914! C(o=-0.91!,f=-3.5!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.55) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 127 LYS NZ :NH3+ 167:sc=-0.00763 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 8.202 3.397 25.968 1.00 0.00 N ATOM 2 CA GLY A 13 7.512 2.849 24.777 1.00 0.00 C ATOM 3 C GLY A 13 8.458 2.090 23.876 1.00 0.00 C ATOM 4 O GLY A 13 9.652 2.001 24.158 1.00 0.00 O ATOM 0 HA2 GLY A 13 6.706 2.188 25.097 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.053 3.664 24.217 1.00 0.00 H new ATOM 10 N SER A 14 7.928 1.538 22.797 1.00 0.00 N ATOM 11 CA SER A 14 8.738 0.823 21.829 1.00 0.00 C ATOM 12 C SER A 14 8.050 0.846 20.466 1.00 0.00 C ATOM 13 O SER A 14 7.219 -0.011 20.166 1.00 0.00 O ATOM 14 CB SER A 14 8.975 -0.622 22.290 1.00 0.00 C ATOM 15 OG SER A 14 9.940 -1.273 21.477 1.00 0.00 O ATOM 0 H SER A 14 6.934 1.573 22.570 1.00 0.00 H new ATOM 0 HA SER A 14 9.707 1.314 21.744 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.310 -0.624 23.327 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.036 -1.175 22.257 1.00 0.00 H new ATOM 0 HG SER A 14 10.071 -2.190 21.796 1.00 0.00 H new ATOM 21 N PRO A 15 8.371 1.846 19.631 1.00 0.00 N ATOM 22 CA PRO A 15 7.777 1.983 18.299 1.00 0.00 C ATOM 23 C PRO A 15 8.355 0.985 17.301 1.00 0.00 C ATOM 24 O PRO A 15 7.795 0.772 16.222 1.00 0.00 O ATOM 25 CB PRO A 15 8.141 3.412 17.898 1.00 0.00 C ATOM 26 CG PRO A 15 9.407 3.701 18.630 1.00 0.00 C ATOM 27 CD PRO A 15 9.332 2.930 19.922 1.00 0.00 C ATOM 0 HA PRO A 15 6.705 1.787 18.307 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.279 3.498 16.820 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.354 4.114 18.176 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.274 3.395 18.044 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.512 4.769 18.820 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.306 2.534 20.209 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.989 3.559 20.744 1.00 0.00 H new ATOM 35 N GLY A 16 9.475 0.373 17.673 1.00 0.00 N ATOM 36 CA GLY A 16 10.143 -0.562 16.795 1.00 0.00 C ATOM 37 C GLY A 16 10.908 0.148 15.702 1.00 0.00 C ATOM 38 O GLY A 16 12.076 0.494 15.877 1.00 0.00 O ATOM 0 H GLY A 16 9.932 0.512 18.574 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.827 -1.181 17.375 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.408 -1.232 16.349 1.00 0.00 H new ATOM 42 N ILE A 17 10.239 0.385 14.586 1.00 0.00 N ATOM 43 CA ILE A 17 10.828 1.095 13.465 1.00 0.00 C ATOM 44 C ILE A 17 10.932 2.587 13.803 1.00 0.00 C ATOM 45 O ILE A 17 10.200 3.068 14.669 1.00 0.00 O ATOM 46 CB ILE A 17 9.999 0.849 12.185 1.00 0.00 C ATOM 47 CG1 ILE A 17 8.547 1.294 12.396 1.00 0.00 C ATOM 48 CG2 ILE A 17 10.076 -0.623 11.794 1.00 0.00 C ATOM 49 CD1 ILE A 17 7.535 0.577 11.526 1.00 0.00 C ATOM 0 H ILE A 17 9.274 0.091 14.433 1.00 0.00 H new ATOM 0 HA ILE A 17 11.834 0.721 13.276 1.00 0.00 H new ATOM 0 HB ILE A 17 10.413 1.442 11.369 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.282 1.139 13.442 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.477 2.365 12.204 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.490 -0.791 10.891 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.115 -0.896 11.608 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.679 -1.236 12.603 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.536 0.955 11.743 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.769 0.752 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.571 -0.493 11.733 1.00 0.00 H new ATOM 61 N PRO A 18 11.831 3.338 13.138 1.00 0.00 N ATOM 62 CA PRO A 18 12.244 4.667 13.611 1.00 0.00 C ATOM 63 C PRO A 18 11.143 5.746 13.532 1.00 0.00 C ATOM 64 O PRO A 18 10.271 5.792 14.401 1.00 0.00 O ATOM 65 CB PRO A 18 13.452 4.993 12.732 1.00 0.00 C ATOM 66 CG PRO A 18 13.263 4.197 11.491 1.00 0.00 C ATOM 67 CD PRO A 18 12.481 2.976 11.862 1.00 0.00 C ATOM 0 HA PRO A 18 12.474 4.658 14.677 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.501 6.059 12.511 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.384 4.728 13.231 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.732 4.779 10.738 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.226 3.921 11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.746 2.726 11.097 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.129 2.107 11.977 1.00 0.00 H new ATOM 75 N VAL A 19 11.177 6.619 12.524 1.00 0.00 N ATOM 76 CA VAL A 19 10.191 7.670 12.404 1.00 0.00 C ATOM 77 C VAL A 19 8.964 7.165 11.654 1.00 0.00 C ATOM 78 O VAL A 19 9.002 6.991 10.436 1.00 0.00 O ATOM 79 CB VAL A 19 10.774 8.886 11.678 1.00 0.00 C ATOM 80 CG1 VAL A 19 9.751 9.987 11.619 1.00 0.00 C ATOM 81 CG2 VAL A 19 12.047 9.366 12.358 1.00 0.00 C ATOM 0 H VAL A 19 11.880 6.611 11.785 1.00 0.00 H new ATOM 0 HA VAL A 19 9.898 7.971 13.410 1.00 0.00 H new ATOM 0 HB VAL A 19 11.032 8.593 10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.173 10.848 11.101 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.870 9.636 11.082 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.468 10.275 12.631 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.441 10.230 11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.826 9.646 13.388 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.787 8.566 12.351 1.00 0.00 H new ATOM 91 N PRO A 20 7.859 6.964 12.382 1.00 0.00 N ATOM 92 CA PRO A 20 6.674 6.240 11.906 1.00 0.00 C ATOM 93 C PRO A 20 6.172 6.679 10.538 1.00 0.00 C ATOM 94 O PRO A 20 5.847 7.849 10.315 1.00 0.00 O ATOM 95 CB PRO A 20 5.617 6.528 12.976 1.00 0.00 C ATOM 96 CG PRO A 20 6.173 7.640 13.796 1.00 0.00 C ATOM 97 CD PRO A 20 7.658 7.470 13.737 1.00 0.00 C ATOM 0 HA PRO A 20 6.906 5.184 11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.667 6.812 12.523 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.428 5.646 13.588 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.872 8.610 13.399 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.812 7.590 14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.182 8.411 13.902 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.017 6.769 14.490 1.00 0.00 H new ATOM 105 N GLY A 21 6.096 5.716 9.636 1.00 0.00 N ATOM 106 CA GLY A 21 5.575 5.964 8.311 1.00 0.00 C ATOM 107 C GLY A 21 4.322 5.158 8.058 1.00 0.00 C ATOM 108 O GLY A 21 4.367 3.929 7.974 1.00 0.00 O ATOM 0 H GLY A 21 6.390 4.754 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.357 7.026 8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.330 5.711 7.567 1.00 0.00 H new ATOM 112 N LYS A 22 3.198 5.841 7.971 1.00 0.00 N ATOM 113 CA LYS A 22 1.918 5.182 7.769 1.00 0.00 C ATOM 114 C LYS A 22 0.851 6.205 7.423 1.00 0.00 C ATOM 115 O LYS A 22 0.806 7.289 8.007 1.00 0.00 O ATOM 116 CB LYS A 22 1.503 4.404 9.025 1.00 0.00 C ATOM 117 CG LYS A 22 1.336 5.278 10.260 1.00 0.00 C ATOM 118 CD LYS A 22 0.869 4.473 11.460 1.00 0.00 C ATOM 119 CE LYS A 22 0.649 5.362 12.675 1.00 0.00 C ATOM 120 NZ LYS A 22 1.878 6.109 13.052 1.00 0.00 N ATOM 0 H LYS A 22 3.143 6.857 8.037 1.00 0.00 H new ATOM 0 HA LYS A 22 2.023 4.479 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.564 3.887 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.251 3.639 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.284 5.762 10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.617 6.070 10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.058 3.955 11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.608 3.708 11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.154 6.069 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.324 4.751 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.749 6.539 13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.687 5.456 13.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.059 6.856 12.351 1.00 0.00 H new ATOM 134 N VAL A 23 0.007 5.862 6.466 1.00 0.00 N ATOM 135 CA VAL A 23 -1.107 6.722 6.088 1.00 0.00 C ATOM 136 C VAL A 23 -2.333 5.863 5.808 1.00 0.00 C ATOM 137 O VAL A 23 -2.209 4.657 5.576 1.00 0.00 O ATOM 138 CB VAL A 23 -0.789 7.620 4.858 1.00 0.00 C ATOM 139 CG1 VAL A 23 0.412 8.509 5.125 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.546 6.793 3.613 1.00 0.00 C ATOM 0 H VAL A 23 0.070 4.994 5.934 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.298 7.396 6.923 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.663 8.249 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.611 9.125 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.206 9.152 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.283 7.889 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.327 7.454 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.299 6.125 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.435 6.204 3.388 1.00 0.00 H new ATOM 150 N THR A 24 -3.511 6.454 5.876 1.00 0.00 N ATOM 151 CA THR A 24 -4.736 5.707 5.651 1.00 0.00 C ATOM 152 C THR A 24 -5.564 6.348 4.541 1.00 0.00 C ATOM 153 O THR A 24 -5.854 7.546 4.572 1.00 0.00 O ATOM 154 CB THR A 24 -5.566 5.571 6.949 1.00 0.00 C ATOM 155 OG1 THR A 24 -6.796 4.886 6.687 1.00 0.00 O ATOM 156 CG2 THR A 24 -5.857 6.930 7.570 1.00 0.00 C ATOM 0 H THR A 24 -3.647 7.443 6.084 1.00 0.00 H new ATOM 0 HA THR A 24 -4.456 4.702 5.334 1.00 0.00 H new ATOM 0 HB THR A 24 -4.974 4.992 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.309 4.806 7.518 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.442 6.796 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.918 7.428 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.420 7.540 6.863 1.00 0.00 H new ATOM 164 N LEU A 25 -5.907 5.544 3.543 1.00 0.00 N ATOM 165 CA LEU A 25 -6.660 6.014 2.389 1.00 0.00 C ATOM 166 C LEU A 25 -7.838 5.088 2.132 1.00 0.00 C ATOM 167 O LEU A 25 -8.149 4.214 2.943 1.00 0.00 O ATOM 168 CB LEU A 25 -5.782 6.054 1.125 1.00 0.00 C ATOM 169 CG LEU A 25 -4.652 7.089 1.091 1.00 0.00 C ATOM 170 CD1 LEU A 25 -5.148 8.451 1.539 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.472 6.634 1.927 1.00 0.00 C ATOM 0 H LEU A 25 -5.672 4.552 3.511 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.008 7.023 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.340 5.067 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.431 6.234 0.268 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.313 7.181 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.326 9.167 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.946 8.784 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.528 8.383 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.685 7.387 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.789 6.498 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.092 5.690 1.537 1.00 0.00 H new ATOM 183 N GLN A 26 -8.471 5.274 0.988 1.00 0.00 N ATOM 184 CA GLN A 26 -9.573 4.446 0.574 1.00 0.00 C ATOM 185 C GLN A 26 -9.372 4.024 -0.859 1.00 0.00 C ATOM 186 O GLN A 26 -8.765 4.742 -1.646 1.00 0.00 O ATOM 187 CB GLN A 26 -10.902 5.177 0.737 1.00 0.00 C ATOM 188 CG GLN A 26 -11.364 5.230 2.177 1.00 0.00 C ATOM 189 CD GLN A 26 -12.635 6.025 2.366 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.920 6.962 1.620 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.407 5.661 3.373 1.00 0.00 N ATOM 0 H GLN A 26 -8.229 6.008 0.322 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.605 3.561 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.803 6.192 0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.662 4.681 0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.522 4.214 2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.575 5.667 2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.134 4.879 3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.276 6.162 3.556 1.00 0.00 H new ATOM 200 N LYS A 27 -9.878 2.850 -1.158 1.00 0.00 N ATOM 201 CA LYS A 27 -9.740 2.223 -2.472 1.00 0.00 C ATOM 202 C LYS A 27 -10.059 3.185 -3.609 1.00 0.00 C ATOM 203 O LYS A 27 -10.930 4.051 -3.502 1.00 0.00 O ATOM 204 CB LYS A 27 -10.690 1.041 -2.573 1.00 0.00 C ATOM 205 CG LYS A 27 -10.621 0.090 -1.397 1.00 0.00 C ATOM 206 CD LYS A 27 -9.391 -0.784 -1.446 1.00 0.00 C ATOM 207 CE LYS A 27 -9.759 -2.228 -1.177 1.00 0.00 C ATOM 208 NZ LYS A 27 -10.623 -2.791 -2.252 1.00 0.00 N ATOM 0 H LYS A 27 -10.407 2.287 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.701 1.907 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.710 1.415 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.470 0.489 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.623 0.661 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.512 -0.538 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.915 -0.699 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.665 -0.443 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.851 -2.824 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.277 -2.298 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.922 -3.752 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.462 -2.189 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.089 -2.826 -3.144 1.00 0.00 H new ATOM 222 N ASP A 28 -9.346 2.988 -4.696 1.00 0.00 N ATOM 223 CA ASP A 28 -9.529 3.747 -5.920 1.00 0.00 C ATOM 224 C ASP A 28 -10.680 3.140 -6.717 1.00 0.00 C ATOM 225 O ASP A 28 -11.242 2.127 -6.302 1.00 0.00 O ATOM 226 CB ASP A 28 -8.221 3.704 -6.731 1.00 0.00 C ATOM 227 CG ASP A 28 -8.279 4.477 -8.031 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.133 5.714 -8.002 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.482 3.849 -9.088 1.00 0.00 O ATOM 0 H ASP A 28 -8.610 2.285 -4.758 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.771 4.786 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.412 4.103 -6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.974 2.665 -6.948 1.00 0.00 H new ATOM 234 N ALA A 29 -11.026 3.727 -7.854 1.00 0.00 N ATOM 235 CA ALA A 29 -12.035 3.148 -8.733 1.00 0.00 C ATOM 236 C ALA A 29 -11.593 1.767 -9.215 1.00 0.00 C ATOM 237 O ALA A 29 -12.409 0.948 -9.637 1.00 0.00 O ATOM 238 CB ALA A 29 -12.292 4.064 -9.917 1.00 0.00 C ATOM 0 H ALA A 29 -10.624 4.602 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.962 3.038 -8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.047 3.619 -10.564 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.645 5.031 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.368 4.201 -10.479 1.00 0.00 H new ATOM 244 N GLN A 30 -10.291 1.510 -9.126 1.00 0.00 N ATOM 245 CA GLN A 30 -9.725 0.240 -9.526 1.00 0.00 C ATOM 246 C GLN A 30 -9.720 -0.727 -8.352 1.00 0.00 C ATOM 247 O GLN A 30 -9.185 -1.828 -8.443 1.00 0.00 O ATOM 248 CB GLN A 30 -8.312 0.465 -10.007 1.00 0.00 C ATOM 249 CG GLN A 30 -8.054 -0.038 -11.415 1.00 0.00 C ATOM 250 CD GLN A 30 -6.585 -0.026 -11.770 1.00 0.00 C ATOM 251 OE1 GLN A 30 -5.914 -1.137 -11.521 1.00 0.00 O flip ATOM 252 NE2 GLN A 30 -6.058 0.971 -12.270 1.00 0.00 N flip ATOM 0 H GLN A 30 -9.606 2.179 -8.775 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.327 -0.189 -10.327 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.090 1.531 -9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.623 -0.030 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.440 -1.053 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.602 0.581 -12.125 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.614 1.808 -12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.066 0.958 -12.508 1.00 0.00 H new ATOM 261 N ASN A 31 -10.293 -0.261 -7.246 1.00 0.00 N ATOM 262 CA ASN A 31 -10.504 -1.065 -6.033 1.00 0.00 C ATOM 263 C ASN A 31 -9.189 -1.338 -5.300 1.00 0.00 C ATOM 264 O ASN A 31 -9.113 -2.154 -4.381 1.00 0.00 O ATOM 265 CB ASN A 31 -11.274 -2.353 -6.394 1.00 0.00 C ATOM 266 CG ASN A 31 -10.516 -3.657 -6.189 1.00 0.00 C ATOM 267 OD1 ASN A 31 -10.901 -4.410 -5.176 1.00 0.00 O flip ATOM 268 ND2 ASN A 31 -9.635 -4.013 -6.969 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.630 0.698 -7.160 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.115 -0.500 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.186 -2.387 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.578 -2.292 -7.439 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.362 -3.406 -7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.177 -4.916 -6.844 1.00 0.00 H new ATOM 275 N LEU A 32 -8.177 -0.574 -5.659 1.00 0.00 N ATOM 276 CA LEU A 32 -6.855 -0.707 -5.055 1.00 0.00 C ATOM 277 C LEU A 32 -6.320 0.653 -4.630 1.00 0.00 C ATOM 278 O LEU A 32 -7.089 1.605 -4.534 1.00 0.00 O ATOM 279 CB LEU A 32 -5.902 -1.401 -6.033 1.00 0.00 C ATOM 280 CG LEU A 32 -6.008 -0.974 -7.510 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.669 0.496 -7.705 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.102 -1.838 -8.371 1.00 0.00 C ATOM 0 H LEU A 32 -8.241 0.153 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.934 -1.323 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.880 -1.224 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.075 -2.476 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.044 -1.115 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.757 0.753 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.358 1.109 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.648 0.682 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.185 -1.527 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.070 -1.725 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.400 -2.882 -8.279 1.00 0.00 H new ATOM 294 N ILE A 33 -5.021 0.762 -4.372 1.00 0.00 N ATOM 295 CA ILE A 33 -4.467 2.026 -3.946 1.00 0.00 C ATOM 296 C ILE A 33 -3.677 2.701 -5.059 1.00 0.00 C ATOM 297 O ILE A 33 -3.511 3.922 -5.054 1.00 0.00 O ATOM 298 CB ILE A 33 -3.579 1.866 -2.705 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.584 0.412 -2.205 1.00 0.00 C ATOM 300 CG2 ILE A 33 -4.078 2.802 -1.625 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.613 0.159 -1.072 1.00 0.00 C ATOM 0 H ILE A 33 -4.348 -0.000 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.314 2.662 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.551 2.118 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.590 0.153 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.341 -0.250 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.455 2.698 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.030 3.830 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.109 2.553 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.670 -0.887 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.600 0.386 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.869 0.796 -0.225 1.00 0.00 H new ATOM 313 N GLY A 34 -3.206 1.915 -6.017 1.00 0.00 N ATOM 314 CA GLY A 34 -2.473 2.474 -7.139 1.00 0.00 C ATOM 315 C GLY A 34 -0.968 2.381 -6.967 1.00 0.00 C ATOM 316 O GLY A 34 -0.236 3.283 -7.382 1.00 0.00 O ATOM 0 H GLY A 34 -3.317 0.901 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.762 1.952 -8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.755 3.519 -7.266 1.00 0.00 H new ATOM 320 N ILE A 35 -0.507 1.295 -6.364 1.00 0.00 N ATOM 321 CA ILE A 35 0.922 1.098 -6.106 1.00 0.00 C ATOM 322 C ILE A 35 1.412 -0.219 -6.667 1.00 0.00 C ATOM 323 O ILE A 35 0.634 -1.085 -7.069 1.00 0.00 O ATOM 324 CB ILE A 35 1.247 1.136 -4.595 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.353 0.173 -3.817 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.109 2.545 -4.052 1.00 0.00 C ATOM 327 CD1 ILE A 35 0.945 -1.199 -3.609 1.00 0.00 C ATOM 0 H ILE A 35 -1.100 0.531 -6.041 1.00 0.00 H new ATOM 0 HA ILE A 35 1.433 1.922 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 35 2.281 0.816 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.130 0.610 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.595 0.070 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.342 2.549 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.798 3.206 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.087 2.894 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.244 -1.817 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.142 -1.661 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.878 -1.112 -3.052 1.00 0.00 H new ATOM 339 N SER A 36 2.715 -0.347 -6.679 1.00 0.00 N ATOM 340 CA SER A 36 3.371 -1.565 -7.072 1.00 0.00 C ATOM 341 C SER A 36 4.463 -1.890 -6.084 1.00 0.00 C ATOM 342 O SER A 36 5.261 -1.027 -5.708 1.00 0.00 O ATOM 343 CB SER A 36 3.924 -1.452 -8.488 1.00 0.00 C ATOM 344 OG SER A 36 2.862 -1.447 -9.413 1.00 0.00 O ATOM 0 H SER A 36 3.356 0.401 -6.413 1.00 0.00 H new ATOM 0 HA SER A 36 2.645 -2.378 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.510 -0.539 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.595 -2.286 -8.694 1.00 0.00 H new ATOM 0 HG SER A 36 3.130 -1.932 -10.221 1.00 0.00 H new ATOM 350 N ILE A 37 4.471 -3.124 -5.648 1.00 0.00 N ATOM 351 CA ILE A 37 5.419 -3.565 -4.643 1.00 0.00 C ATOM 352 C ILE A 37 6.338 -4.656 -5.180 1.00 0.00 C ATOM 353 O ILE A 37 5.900 -5.637 -5.780 1.00 0.00 O ATOM 354 CB ILE A 37 4.708 -4.057 -3.362 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.945 -2.906 -2.704 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.708 -4.662 -2.380 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.167 -3.314 -1.470 1.00 0.00 C ATOM 0 H ILE A 37 3.830 -3.848 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 37 6.026 -2.697 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 37 3.998 -4.834 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.652 -2.122 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.256 -2.477 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.182 -5.000 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.211 -5.509 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.446 -3.910 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.653 -2.445 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.435 -4.076 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.853 -3.715 -0.724 1.00 0.00 H new ATOM 369 N GLY A 38 7.617 -4.453 -4.963 1.00 0.00 N ATOM 370 CA GLY A 38 8.617 -5.420 -5.320 1.00 0.00 C ATOM 371 C GLY A 38 9.640 -5.560 -4.217 1.00 0.00 C ATOM 372 O GLY A 38 10.220 -4.567 -3.774 1.00 0.00 O ATOM 0 H GLY A 38 7.990 -3.607 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.146 -6.384 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.110 -5.117 -6.244 1.00 0.00 H new ATOM 376 N GLY A 39 9.845 -6.778 -3.751 1.00 0.00 N ATOM 377 CA GLY A 39 10.799 -7.002 -2.693 1.00 0.00 C ATOM 378 C GLY A 39 12.211 -6.936 -3.214 1.00 0.00 C ATOM 379 O GLY A 39 12.598 -7.751 -4.049 1.00 0.00 O ATOM 0 H GLY A 39 9.368 -7.615 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.661 -6.256 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.621 -7.977 -2.239 1.00 0.00 H new ATOM 383 N GLY A 40 12.974 -5.962 -2.738 1.00 0.00 N ATOM 384 CA GLY A 40 14.338 -5.801 -3.186 1.00 0.00 C ATOM 385 C GLY A 40 15.234 -6.927 -2.723 1.00 0.00 C ATOM 386 O GLY A 40 14.762 -7.946 -2.222 1.00 0.00 O ATOM 0 H GLY A 40 12.668 -5.278 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.356 -5.750 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.729 -4.853 -2.816 1.00 0.00 H new ATOM 390 N ALA A 41 16.533 -6.730 -2.859 1.00 0.00 N ATOM 391 CA ALA A 41 17.498 -7.775 -2.533 1.00 0.00 C ATOM 392 C ALA A 41 17.466 -8.143 -1.051 1.00 0.00 C ATOM 393 O ALA A 41 17.937 -9.215 -0.673 1.00 0.00 O ATOM 394 CB ALA A 41 18.899 -7.346 -2.939 1.00 0.00 C ATOM 0 H ALA A 41 16.947 -5.859 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 41 17.217 -8.665 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 41 19.608 -8.136 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 41 18.926 -7.160 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 41 19.169 -6.434 -2.406 1.00 0.00 H new ATOM 400 N GLN A 42 16.905 -7.242 -0.226 1.00 0.00 N ATOM 401 CA GLN A 42 16.844 -7.402 1.241 1.00 0.00 C ATOM 402 C GLN A 42 18.227 -7.292 1.869 1.00 0.00 C ATOM 403 O GLN A 42 18.421 -6.587 2.855 1.00 0.00 O ATOM 404 CB GLN A 42 16.189 -8.730 1.634 1.00 0.00 C ATOM 405 CG GLN A 42 14.745 -8.861 1.179 1.00 0.00 C ATOM 406 CD GLN A 42 13.818 -7.852 1.832 1.00 0.00 C ATOM 407 OE1 GLN A 42 14.214 -6.735 2.167 1.00 0.00 O ATOM 408 NE2 GLN A 42 12.570 -8.240 2.015 1.00 0.00 N ATOM 0 H GLN A 42 16.478 -6.377 -0.558 1.00 0.00 H new ATOM 0 HA GLN A 42 16.226 -6.590 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.769 -9.550 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.230 -8.838 2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.699 -8.739 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 42 14.391 -9.867 1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.278 -9.173 1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.897 -7.607 2.447 1.00 0.00 H new ATOM 417 N TYR A 43 19.181 -7.981 1.267 1.00 0.00 N ATOM 418 CA TYR A 43 20.584 -7.926 1.649 1.00 0.00 C ATOM 419 C TYR A 43 21.105 -6.486 1.628 1.00 0.00 C ATOM 420 O TYR A 43 22.156 -6.188 2.198 1.00 0.00 O ATOM 421 CB TYR A 43 21.379 -8.798 0.667 1.00 0.00 C ATOM 422 CG TYR A 43 22.843 -8.985 1.002 1.00 0.00 C ATOM 423 CD1 TYR A 43 23.252 -9.994 1.863 1.00 0.00 C ATOM 424 CD2 TYR A 43 23.816 -8.171 0.436 1.00 0.00 C ATOM 425 CE1 TYR A 43 24.588 -10.182 2.154 1.00 0.00 C ATOM 426 CE2 TYR A 43 25.154 -8.355 0.720 1.00 0.00 C ATOM 427 CZ TYR A 43 25.535 -9.362 1.581 1.00 0.00 C ATOM 428 OH TYR A 43 26.870 -9.553 1.865 1.00 0.00 O ATOM 0 H TYR A 43 19.000 -8.608 0.483 1.00 0.00 H new ATOM 0 HA TYR A 43 20.702 -8.298 2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.908 -9.779 0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.305 -8.356 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 43 22.514 -10.642 2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.520 -7.381 -0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 43 24.890 -10.969 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 43 25.898 -7.714 0.270 1.00 0.00 H new ATOM 0 HH TYR A 43 27.406 -8.891 1.379 1.00 0.00 H new ATOM 438 N CYS A 44 20.363 -5.593 0.977 1.00 0.00 N ATOM 439 CA CYS A 44 20.792 -4.212 0.845 1.00 0.00 C ATOM 440 C CYS A 44 19.626 -3.200 0.841 1.00 0.00 C ATOM 441 O CYS A 44 19.491 -2.433 1.792 1.00 0.00 O ATOM 442 CB CYS A 44 21.673 -4.058 -0.401 1.00 0.00 C ATOM 443 SG CYS A 44 23.374 -4.621 -0.165 1.00 0.00 S ATOM 0 H CYS A 44 19.467 -5.804 0.537 1.00 0.00 H new ATOM 0 HA CYS A 44 21.376 -3.973 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 44 21.226 -4.618 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 44 21.685 -3.010 -0.699 1.00 0.00 H new ATOM 0 HG CYS A 44 23.428 -5.424 0.856 1.00 0.00 H new ATOM 449 N PRO A 45 18.758 -3.166 -0.201 1.00 0.00 N ATOM 450 CA PRO A 45 17.846 -2.043 -0.404 1.00 0.00 C ATOM 451 C PRO A 45 16.426 -2.215 0.176 1.00 0.00 C ATOM 452 O PRO A 45 15.848 -1.246 0.662 1.00 0.00 O ATOM 453 CB PRO A 45 17.817 -1.965 -1.926 1.00 0.00 C ATOM 454 CG PRO A 45 17.945 -3.385 -2.389 1.00 0.00 C ATOM 455 CD PRO A 45 18.594 -4.168 -1.268 1.00 0.00 C ATOM 0 HA PRO A 45 18.186 -1.148 0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.889 -1.516 -2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 45 18.634 -1.351 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.966 -3.800 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 45 18.548 -3.441 -3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 45 17.969 -5.000 -0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 45 19.552 -4.589 -1.574 1.00 0.00 H new ATOM 463 N CYS A 46 15.873 -3.435 0.104 1.00 0.00 N ATOM 464 CA CYS A 46 14.523 -3.754 0.623 1.00 0.00 C ATOM 465 C CYS A 46 13.398 -3.122 -0.217 1.00 0.00 C ATOM 466 O CYS A 46 12.634 -3.849 -0.857 1.00 0.00 O ATOM 467 CB CYS A 46 14.386 -3.344 2.090 1.00 0.00 C ATOM 468 SG CYS A 46 15.612 -4.114 3.175 1.00 0.00 S ATOM 0 H CYS A 46 16.346 -4.235 -0.316 1.00 0.00 H new ATOM 0 HA CYS A 46 14.413 -4.836 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.476 -2.260 2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.388 -3.606 2.440 1.00 0.00 H new ATOM 0 HG CYS A 46 15.416 -5.399 3.208 1.00 0.00 H new ATOM 474 N LEU A 47 13.320 -1.779 -0.197 1.00 0.00 N ATOM 475 CA LEU A 47 12.356 -0.962 -0.977 1.00 0.00 C ATOM 476 C LEU A 47 10.883 -1.320 -0.743 1.00 0.00 C ATOM 477 O LEU A 47 10.163 -0.598 -0.047 1.00 0.00 O ATOM 478 CB LEU A 47 12.660 -0.944 -2.498 1.00 0.00 C ATOM 479 CG LEU A 47 13.242 -2.225 -3.105 1.00 0.00 C ATOM 480 CD1 LEU A 47 12.755 -2.446 -4.525 1.00 0.00 C ATOM 481 CD2 LEU A 47 14.750 -2.164 -3.098 1.00 0.00 C ATOM 0 H LEU A 47 13.942 -1.210 0.377 1.00 0.00 H new ATOM 0 HA LEU A 47 12.506 0.043 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.736 -0.708 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.356 -0.129 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 47 12.901 -3.060 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.190 -3.364 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.668 -2.529 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.057 -1.604 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.153 -3.079 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.082 -1.308 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.105 -2.061 -2.073 1.00 0.00 H new ATOM 493 N TYR A 48 10.450 -2.436 -1.312 1.00 0.00 N ATOM 494 CA TYR A 48 9.035 -2.800 -1.384 1.00 0.00 C ATOM 495 C TYR A 48 8.248 -1.911 -2.346 1.00 0.00 C ATOM 496 O TYR A 48 7.920 -2.359 -3.435 1.00 0.00 O ATOM 497 CB TYR A 48 8.388 -2.851 -0.003 1.00 0.00 C ATOM 498 CG TYR A 48 8.832 -4.061 0.773 1.00 0.00 C ATOM 499 CD1 TYR A 48 10.125 -4.149 1.257 1.00 0.00 C ATOM 500 CD2 TYR A 48 7.972 -5.127 0.992 1.00 0.00 C ATOM 501 CE1 TYR A 48 10.554 -5.259 1.943 1.00 0.00 C ATOM 502 CE2 TYR A 48 8.392 -6.247 1.677 1.00 0.00 C ATOM 503 CZ TYR A 48 9.684 -6.311 2.151 1.00 0.00 C ATOM 504 OH TYR A 48 10.104 -7.430 2.836 1.00 0.00 O ATOM 0 H TYR A 48 11.072 -3.122 -1.741 1.00 0.00 H new ATOM 0 HA TYR A 48 8.999 -3.809 -1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.643 -1.948 0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.303 -2.864 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.810 -3.330 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.959 -5.079 0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.566 -5.309 2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.712 -7.070 1.841 1.00 0.00 H new ATOM 0 HH TYR A 48 9.367 -8.074 2.894 1.00 0.00 H new ATOM 514 N ILE A 49 7.938 -0.665 -2.001 1.00 0.00 N ATOM 515 CA ILE A 49 7.114 0.121 -2.912 1.00 0.00 C ATOM 516 C ILE A 49 7.984 0.657 -4.056 1.00 0.00 C ATOM 517 O ILE A 49 8.865 1.504 -3.874 1.00 0.00 O ATOM 518 CB ILE A 49 6.288 1.234 -2.192 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.033 1.583 -3.003 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.102 2.492 -1.948 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.280 2.561 -4.135 1.00 0.00 C ATOM 0 H ILE A 49 8.227 -0.196 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 49 6.356 -0.536 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 49 5.998 0.832 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.613 0.665 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.284 2.003 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.482 3.235 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.962 2.253 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.447 2.893 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.344 2.755 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.670 3.495 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.004 2.137 -4.831 1.00 0.00 H new ATOM 533 N VAL A 50 7.763 0.103 -5.239 1.00 0.00 N ATOM 534 CA VAL A 50 8.629 0.373 -6.373 1.00 0.00 C ATOM 535 C VAL A 50 8.055 1.434 -7.294 1.00 0.00 C ATOM 536 O VAL A 50 8.805 2.123 -7.986 1.00 0.00 O ATOM 537 CB VAL A 50 8.916 -0.903 -7.200 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.743 -1.888 -6.392 1.00 0.00 C ATOM 539 CG2 VAL A 50 7.629 -1.559 -7.676 1.00 0.00 C ATOM 0 H VAL A 50 6.992 -0.535 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 50 9.562 0.741 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 50 9.485 -0.605 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.935 -2.779 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.691 -1.426 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.198 -2.167 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.868 -2.452 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.021 -1.836 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.074 -0.860 -8.302 1.00 0.00 H new ATOM 549 N GLN A 51 6.737 1.587 -7.301 1.00 0.00 N ATOM 550 CA GLN A 51 6.107 2.457 -8.259 1.00 0.00 C ATOM 551 C GLN A 51 4.709 2.809 -7.796 1.00 0.00 C ATOM 552 O GLN A 51 4.032 2.002 -7.160 1.00 0.00 O ATOM 553 CB GLN A 51 6.084 1.777 -9.636 1.00 0.00 C ATOM 554 CG GLN A 51 4.753 1.880 -10.357 1.00 0.00 C ATOM 555 CD GLN A 51 4.747 1.155 -11.686 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.776 1.042 -12.353 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.590 0.651 -12.074 1.00 0.00 N ATOM 0 H GLN A 51 6.097 1.121 -6.657 1.00 0.00 H new ATOM 0 HA GLN A 51 6.676 3.383 -8.344 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.859 2.221 -10.261 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.338 0.724 -9.513 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.968 1.470 -9.721 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.514 2.931 -10.521 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.762 0.768 -11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.525 0.145 -12.957 1.00 0.00 H new ATOM 566 N VAL A 52 4.302 4.021 -8.091 1.00 0.00 N ATOM 567 CA VAL A 52 2.966 4.478 -7.788 1.00 0.00 C ATOM 568 C VAL A 52 2.473 5.320 -8.950 1.00 0.00 C ATOM 569 O VAL A 52 3.271 5.770 -9.772 1.00 0.00 O ATOM 570 CB VAL A 52 2.935 5.306 -6.487 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.627 6.642 -6.683 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.514 5.499 -5.983 1.00 0.00 C ATOM 0 H VAL A 52 4.888 4.719 -8.548 1.00 0.00 H new ATOM 0 HA VAL A 52 2.319 3.613 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 52 3.480 4.747 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.593 7.209 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.666 6.475 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.120 7.203 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.530 6.087 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.928 6.022 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.064 4.527 -5.783 1.00 0.00 H new ATOM 582 N PHE A 53 1.177 5.506 -9.044 1.00 0.00 N ATOM 583 CA PHE A 53 0.625 6.358 -10.079 1.00 0.00 C ATOM 584 C PHE A 53 0.582 7.804 -9.576 1.00 0.00 C ATOM 585 O PHE A 53 1.544 8.255 -8.956 1.00 0.00 O ATOM 586 CB PHE A 53 -0.742 5.833 -10.515 1.00 0.00 C ATOM 587 CG PHE A 53 -0.667 4.428 -11.057 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.138 4.135 -12.147 1.00 0.00 C ATOM 589 CD2 PHE A 53 -1.386 3.399 -10.471 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.221 2.847 -12.640 1.00 0.00 C ATOM 591 CE2 PHE A 53 -1.308 2.110 -10.962 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.503 1.833 -12.047 1.00 0.00 C ATOM 0 H PHE A 53 0.487 5.084 -8.423 1.00 0.00 H new ATOM 0 HA PHE A 53 1.260 6.343 -10.965 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.426 5.857 -9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.156 6.493 -11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.707 4.923 -12.617 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.016 3.607 -9.619 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.853 2.634 -13.490 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.877 1.319 -10.496 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.439 0.826 -12.431 1.00 0.00 H new ATOM 602 N ASP A 54 -0.487 8.546 -9.833 1.00 0.00 N ATOM 603 CA ASP A 54 -0.540 9.933 -9.359 1.00 0.00 C ATOM 604 C ASP A 54 -1.902 10.304 -8.779 1.00 0.00 C ATOM 605 O ASP A 54 -1.991 11.000 -7.771 1.00 0.00 O ATOM 606 CB ASP A 54 -0.193 10.885 -10.499 1.00 0.00 C ATOM 607 CG ASP A 54 0.135 12.281 -10.005 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.291 12.513 -9.602 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.757 13.156 -10.028 1.00 0.00 O ATOM 0 H ASP A 54 -1.308 8.230 -10.350 1.00 0.00 H new ATOM 0 HA ASP A 54 0.191 10.024 -8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.658 10.489 -11.053 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.031 10.936 -11.194 1.00 0.00 H new ATOM 614 N ASN A 55 -2.954 9.818 -9.406 1.00 0.00 N ATOM 615 CA ASN A 55 -4.310 10.223 -9.075 1.00 0.00 C ATOM 616 C ASN A 55 -4.970 9.161 -8.223 1.00 0.00 C ATOM 617 O ASN A 55 -6.175 9.190 -7.981 1.00 0.00 O ATOM 618 CB ASN A 55 -5.131 10.486 -10.341 1.00 0.00 C ATOM 619 CG ASN A 55 -4.830 11.824 -10.986 1.00 0.00 C ATOM 620 OD1 ASN A 55 -3.591 12.269 -10.891 1.00 0.00 O flip ATOM 621 ND2 ASN A 55 -5.706 12.450 -11.583 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.896 9.132 -10.159 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.265 11.154 -8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.938 9.692 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.192 10.441 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.653 12.076 -11.637 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.484 13.343 -12.024 1.00 0.00 H new ATOM 628 N THR A 56 -4.157 8.225 -7.768 1.00 0.00 N ATOM 629 CA THR A 56 -4.630 7.138 -6.948 1.00 0.00 C ATOM 630 C THR A 56 -4.455 7.527 -5.507 1.00 0.00 C ATOM 631 O THR A 56 -3.508 8.241 -5.206 1.00 0.00 O ATOM 632 CB THR A 56 -3.837 5.850 -7.221 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.479 5.995 -6.773 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.831 5.541 -8.696 1.00 0.00 C ATOM 0 H THR A 56 -3.155 8.202 -7.959 1.00 0.00 H new ATOM 0 HA THR A 56 -5.678 6.947 -7.180 1.00 0.00 H new ATOM 0 HB THR A 56 -4.317 5.036 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.284 5.316 -6.094 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.266 4.626 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.855 5.408 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.368 6.365 -9.238 1.00 0.00 H new ATOM 642 N PRO A 57 -5.323 7.079 -4.599 1.00 0.00 N ATOM 643 CA PRO A 57 -5.291 7.521 -3.205 1.00 0.00 C ATOM 644 C PRO A 57 -3.884 7.446 -2.624 1.00 0.00 C ATOM 645 O PRO A 57 -3.443 8.342 -1.902 1.00 0.00 O ATOM 646 CB PRO A 57 -6.215 6.530 -2.487 1.00 0.00 C ATOM 647 CG PRO A 57 -6.497 5.446 -3.478 1.00 0.00 C ATOM 648 CD PRO A 57 -6.369 6.080 -4.827 1.00 0.00 C ATOM 0 HA PRO A 57 -5.602 8.560 -3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.738 6.128 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.136 7.016 -2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.793 4.621 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.496 5.034 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.083 5.357 -5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.304 6.536 -5.153 1.00 0.00 H new ATOM 656 N ALA A 58 -3.186 6.374 -2.985 1.00 0.00 N ATOM 657 CA ALA A 58 -1.810 6.147 -2.564 1.00 0.00 C ATOM 658 C ALA A 58 -0.885 7.287 -2.982 1.00 0.00 C ATOM 659 O ALA A 58 -0.175 7.843 -2.150 1.00 0.00 O ATOM 660 CB ALA A 58 -1.298 4.841 -3.137 1.00 0.00 C ATOM 0 H ALA A 58 -3.561 5.636 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.809 6.100 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.269 4.682 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.920 4.019 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.336 4.881 -4.226 1.00 0.00 H new ATOM 666 N ALA A 59 -0.881 7.628 -4.268 1.00 0.00 N ATOM 667 CA ALA A 59 -0.033 8.716 -4.747 1.00 0.00 C ATOM 668 C ALA A 59 -0.626 10.054 -4.338 1.00 0.00 C ATOM 669 O ALA A 59 0.028 10.880 -3.702 1.00 0.00 O ATOM 670 CB ALA A 59 0.094 8.657 -6.253 1.00 0.00 C ATOM 0 H ALA A 59 -1.445 7.175 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 59 0.956 8.608 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.729 9.474 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.538 7.705 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.893 8.750 -6.705 1.00 0.00 H new ATOM 676 N LEU A 60 -1.878 10.226 -4.731 1.00 0.00 N ATOM 677 CA LEU A 60 -2.671 11.426 -4.485 1.00 0.00 C ATOM 678 C LEU A 60 -2.507 11.977 -3.062 1.00 0.00 C ATOM 679 O LEU A 60 -1.822 12.980 -2.848 1.00 0.00 O ATOM 680 CB LEU A 60 -4.128 11.014 -4.720 1.00 0.00 C ATOM 681 CG LEU A 60 -5.156 12.104 -5.030 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.346 13.059 -3.862 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.754 12.856 -6.280 1.00 0.00 C ATOM 0 H LEU A 60 -2.390 9.511 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.342 12.227 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.142 10.302 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.468 10.481 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.116 11.617 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.084 13.816 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.693 12.504 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.397 13.543 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.492 13.630 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.778 13.317 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.702 12.164 -7.120 1.00 0.00 H new ATOM 695 N ASP A 61 -3.143 11.327 -2.097 1.00 0.00 N ATOM 696 CA ASP A 61 -3.109 11.797 -0.715 1.00 0.00 C ATOM 697 C ASP A 61 -2.041 11.081 0.090 1.00 0.00 C ATOM 698 O ASP A 61 -1.362 11.684 0.924 1.00 0.00 O ATOM 699 CB ASP A 61 -4.471 11.616 -0.046 1.00 0.00 C ATOM 700 CG ASP A 61 -4.500 12.181 1.363 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.666 13.410 1.507 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.359 11.404 2.331 1.00 0.00 O ATOM 0 H ASP A 61 -3.687 10.476 -2.242 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.864 12.859 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.237 12.106 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.720 10.555 -0.015 1.00 0.00 H new ATOM 707 N GLY A 62 -1.899 9.794 -0.180 1.00 0.00 N ATOM 708 CA GLY A 62 -1.095 8.931 0.671 1.00 0.00 C ATOM 709 C GLY A 62 0.381 9.260 0.651 1.00 0.00 C ATOM 710 O GLY A 62 1.088 8.975 1.610 1.00 0.00 O ATOM 0 H GLY A 62 -2.328 9.325 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.460 9.004 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.232 7.896 0.356 1.00 0.00 H new ATOM 714 N THR A 63 0.830 9.831 -0.464 1.00 0.00 N ATOM 715 CA THR A 63 2.226 10.213 -0.696 1.00 0.00 C ATOM 716 C THR A 63 3.185 9.041 -0.436 1.00 0.00 C ATOM 717 O THR A 63 4.375 9.225 -0.167 1.00 0.00 O ATOM 718 CB THR A 63 2.647 11.485 0.097 1.00 0.00 C ATOM 719 OG1 THR A 63 3.859 12.019 -0.449 1.00 0.00 O ATOM 720 CG2 THR A 63 2.858 11.208 1.574 1.00 0.00 C ATOM 0 H THR A 63 0.220 10.047 -1.253 1.00 0.00 H new ATOM 0 HA THR A 63 2.299 10.473 -1.752 1.00 0.00 H new ATOM 0 HB THR A 63 1.831 12.201 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.504 11.294 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.150 12.129 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.932 10.833 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.644 10.463 1.696 1.00 0.00 H new ATOM 728 N VAL A 64 2.654 7.832 -0.576 1.00 0.00 N ATOM 729 CA VAL A 64 3.429 6.608 -0.414 1.00 0.00 C ATOM 730 C VAL A 64 4.046 6.211 -1.744 1.00 0.00 C ATOM 731 O VAL A 64 3.956 5.067 -2.191 1.00 0.00 O ATOM 732 CB VAL A 64 2.552 5.461 0.110 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.061 5.776 1.506 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.378 5.229 -0.821 1.00 0.00 C ATOM 0 H VAL A 64 1.673 7.673 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 64 4.216 6.798 0.316 1.00 0.00 H new ATOM 0 HB VAL A 64 3.151 4.551 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.440 4.956 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.915 5.905 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.474 6.694 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.765 4.413 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.777 6.137 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.746 4.970 -1.814 1.00 0.00 H new ATOM 744 N ALA A 65 4.691 7.171 -2.359 1.00 0.00 N ATOM 745 CA ALA A 65 5.172 7.016 -3.710 1.00 0.00 C ATOM 746 C ALA A 65 6.506 6.295 -3.738 1.00 0.00 C ATOM 747 O ALA A 65 7.080 5.992 -2.690 1.00 0.00 O ATOM 748 CB ALA A 65 5.289 8.376 -4.375 1.00 0.00 C ATOM 0 H ALA A 65 4.897 8.078 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 65 4.455 6.409 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.653 8.252 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.311 8.857 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.987 8.997 -3.814 1.00 0.00 H new ATOM 754 N ALA A 66 6.978 6.021 -4.946 1.00 0.00 N ATOM 755 CA ALA A 66 8.203 5.271 -5.156 1.00 0.00 C ATOM 756 C ALA A 66 9.353 5.836 -4.331 1.00 0.00 C ATOM 757 O ALA A 66 9.737 6.995 -4.492 1.00 0.00 O ATOM 758 CB ALA A 66 8.545 5.274 -6.634 1.00 0.00 C ATOM 0 H ALA A 66 6.519 6.314 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 66 8.046 4.245 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.465 4.712 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.733 4.812 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.683 6.301 -6.973 1.00 0.00 H new ATOM 764 N GLY A 67 9.885 5.018 -3.436 1.00 0.00 N ATOM 765 CA GLY A 67 10.959 5.469 -2.579 1.00 0.00 C ATOM 766 C GLY A 67 10.634 5.328 -1.106 1.00 0.00 C ATOM 767 O GLY A 67 11.397 5.785 -0.254 1.00 0.00 O ATOM 0 H GLY A 67 9.593 4.052 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.861 4.899 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.179 6.514 -2.799 1.00 0.00 H new ATOM 771 N ASP A 68 9.494 4.721 -0.797 1.00 0.00 N ATOM 772 CA ASP A 68 9.147 4.434 0.592 1.00 0.00 C ATOM 773 C ASP A 68 9.274 2.952 0.873 1.00 0.00 C ATOM 774 O ASP A 68 9.289 2.129 -0.045 1.00 0.00 O ATOM 775 CB ASP A 68 7.727 4.889 0.925 1.00 0.00 C ATOM 776 CG ASP A 68 7.706 6.110 1.811 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.025 7.216 1.323 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.382 5.974 3.006 1.00 0.00 O ATOM 0 H ASP A 68 8.800 4.420 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 68 9.844 4.990 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.192 5.105 0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.195 4.076 1.419 1.00 0.00 H new ATOM 783 N GLU A 69 9.356 2.610 2.139 1.00 0.00 N ATOM 784 CA GLU A 69 9.485 1.223 2.524 1.00 0.00 C ATOM 785 C GLU A 69 8.147 0.728 3.052 1.00 0.00 C ATOM 786 O GLU A 69 7.462 1.454 3.781 1.00 0.00 O ATOM 787 CB GLU A 69 10.569 1.064 3.591 1.00 0.00 C ATOM 788 CG GLU A 69 11.867 1.795 3.282 1.00 0.00 C ATOM 789 CD GLU A 69 12.531 1.342 1.997 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.064 0.218 1.955 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.561 2.134 1.030 1.00 0.00 O ATOM 0 H GLU A 69 9.336 3.270 2.916 1.00 0.00 H new ATOM 0 HA GLU A 69 9.775 0.631 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.180 1.426 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.785 0.003 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.665 2.864 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.561 1.650 4.110 1.00 0.00 H new ATOM 798 N ILE A 70 7.765 -0.490 2.673 1.00 0.00 N ATOM 799 CA ILE A 70 6.505 -1.087 3.132 1.00 0.00 C ATOM 800 C ILE A 70 6.780 -2.367 3.929 1.00 0.00 C ATOM 801 O ILE A 70 7.587 -3.192 3.509 1.00 0.00 O ATOM 802 CB ILE A 70 5.573 -1.430 1.944 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.458 -0.252 0.970 1.00 0.00 C ATOM 804 CG2 ILE A 70 4.195 -1.840 2.448 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.845 0.991 1.572 1.00 0.00 C ATOM 0 H ILE A 70 8.308 -1.086 2.049 1.00 0.00 H new ATOM 0 HA ILE A 70 6.011 -0.351 3.766 1.00 0.00 H new ATOM 0 HB ILE A 70 6.013 -2.269 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.451 -0.008 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.859 -0.561 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.553 -2.077 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.288 -2.717 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.757 -1.020 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.800 1.776 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.838 0.767 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.455 1.328 2.411 1.00 0.00 H new ATOM 817 N THR A 71 6.131 -2.533 5.083 1.00 0.00 N ATOM 818 CA THR A 71 6.366 -3.713 5.913 1.00 0.00 C ATOM 819 C THR A 71 5.055 -4.352 6.379 1.00 0.00 C ATOM 820 O THR A 71 5.032 -5.522 6.759 1.00 0.00 O ATOM 821 CB THR A 71 7.262 -3.391 7.142 1.00 0.00 C ATOM 822 OG1 THR A 71 7.635 -4.599 7.818 1.00 0.00 O ATOM 823 CG2 THR A 71 6.563 -2.458 8.129 1.00 0.00 C ATOM 0 H THR A 71 5.448 -1.875 5.459 1.00 0.00 H new ATOM 0 HA THR A 71 6.894 -4.428 5.282 1.00 0.00 H new ATOM 0 HB THR A 71 8.152 -2.886 6.766 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.016 -5.317 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.224 -2.259 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.317 -1.520 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.648 -2.928 8.489 1.00 0.00 H new ATOM 831 N GLY A 72 3.960 -3.603 6.332 1.00 0.00 N ATOM 832 CA GLY A 72 2.701 -4.143 6.795 1.00 0.00 C ATOM 833 C GLY A 72 1.526 -3.773 5.922 1.00 0.00 C ATOM 834 O GLY A 72 1.402 -2.631 5.470 1.00 0.00 O ATOM 0 H GLY A 72 3.923 -2.644 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.778 -5.229 6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.515 -3.790 7.809 1.00 0.00 H new ATOM 838 N VAL A 73 0.663 -4.750 5.698 1.00 0.00 N ATOM 839 CA VAL A 73 -0.557 -4.574 4.967 1.00 0.00 C ATOM 840 C VAL A 73 -1.721 -4.573 5.950 1.00 0.00 C ATOM 841 O VAL A 73 -1.873 -5.516 6.725 1.00 0.00 O ATOM 842 CB VAL A 73 -0.751 -5.716 3.944 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.115 -7.009 4.432 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.215 -5.961 3.735 1.00 0.00 C ATOM 0 H VAL A 73 0.804 -5.704 6.031 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.515 -3.629 4.426 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.273 -5.413 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.269 -7.793 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.954 -6.855 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.574 -7.307 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.350 -6.767 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.676 -6.242 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.686 -5.053 3.357 1.00 0.00 H new ATOM 854 N ASN A 74 -2.511 -3.506 5.945 1.00 0.00 N ATOM 855 CA ASN A 74 -3.675 -3.408 6.827 1.00 0.00 C ATOM 856 C ASN A 74 -3.233 -3.516 8.291 1.00 0.00 C ATOM 857 O ASN A 74 -4.000 -3.882 9.174 1.00 0.00 O ATOM 858 CB ASN A 74 -4.712 -4.489 6.468 1.00 0.00 C ATOM 859 CG ASN A 74 -6.047 -4.301 7.155 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.295 -4.854 8.224 1.00 0.00 O ATOM 861 ND2 ASN A 74 -6.920 -3.532 6.541 1.00 0.00 N ATOM 0 H ASN A 74 -2.370 -2.696 5.342 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.150 -2.437 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.865 -4.489 5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.311 -5.467 6.733 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.841 -3.377 6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.676 -3.090 5.655 1.00 0.00 H new ATOM 868 N GLY A 75 -1.970 -3.195 8.536 1.00 0.00 N ATOM 869 CA GLY A 75 -1.447 -3.212 9.884 1.00 0.00 C ATOM 870 C GLY A 75 -0.628 -4.452 10.202 1.00 0.00 C ATOM 871 O GLY A 75 0.176 -4.435 11.132 1.00 0.00 O ATOM 0 H GLY A 75 -1.297 -2.922 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.827 -2.328 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.277 -3.144 10.588 1.00 0.00 H new ATOM 875 N ARG A 76 -0.805 -5.526 9.440 1.00 0.00 N ATOM 876 CA ARG A 76 -0.091 -6.748 9.696 1.00 0.00 C ATOM 877 C ARG A 76 1.022 -6.957 8.676 1.00 0.00 C ATOM 878 O ARG A 76 0.827 -6.739 7.483 1.00 0.00 O ATOM 879 CB ARG A 76 -1.083 -7.897 9.686 1.00 0.00 C ATOM 880 CG ARG A 76 -2.170 -7.792 8.633 1.00 0.00 C ATOM 881 CD ARG A 76 -3.286 -8.789 8.895 1.00 0.00 C ATOM 882 NE ARG A 76 -3.956 -8.526 10.167 1.00 0.00 N ATOM 883 CZ ARG A 76 -4.708 -9.413 10.815 1.00 0.00 C ATOM 884 NH1 ARG A 76 -4.899 -10.625 10.314 1.00 0.00 N ATOM 885 NH2 ARG A 76 -5.264 -9.085 11.973 1.00 0.00 N ATOM 0 H ARG A 76 -1.440 -5.564 8.642 1.00 0.00 H new ATOM 0 HA ARG A 76 0.389 -6.697 10.673 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.537 -8.828 9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.553 -7.961 10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.576 -6.781 8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.743 -7.971 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.013 -8.743 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.878 -9.800 8.901 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.840 -7.603 10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.468 -10.884 9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.476 -11.299 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.115 -8.155 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.841 -9.762 12.472 1.00 0.00 H new ATOM 899 N SER A 77 2.188 -7.375 9.163 1.00 0.00 N ATOM 900 CA SER A 77 3.388 -7.488 8.335 1.00 0.00 C ATOM 901 C SER A 77 3.153 -8.382 7.121 1.00 0.00 C ATOM 902 O SER A 77 2.512 -9.430 7.214 1.00 0.00 O ATOM 903 CB SER A 77 4.551 -8.040 9.166 1.00 0.00 C ATOM 904 OG SER A 77 5.774 -7.970 8.446 1.00 0.00 O ATOM 0 H SER A 77 2.328 -7.644 10.137 1.00 0.00 H new ATOM 0 HA SER A 77 3.636 -6.489 7.975 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.639 -7.475 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.346 -9.075 9.441 1.00 0.00 H new ATOM 0 HG SER A 77 5.742 -7.217 7.819 1.00 0.00 H new ATOM 910 N ILE A 78 3.721 -7.972 5.985 1.00 0.00 N ATOM 911 CA ILE A 78 3.533 -8.688 4.725 1.00 0.00 C ATOM 912 C ILE A 78 4.358 -9.958 4.748 1.00 0.00 C ATOM 913 O ILE A 78 4.134 -10.889 3.976 1.00 0.00 O ATOM 914 CB ILE A 78 3.946 -7.855 3.481 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.472 -7.817 3.291 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.385 -6.442 3.560 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.227 -7.015 4.331 1.00 0.00 C ATOM 0 H ILE A 78 4.316 -7.146 5.914 1.00 0.00 H new ATOM 0 HA ILE A 78 2.468 -8.901 4.638 1.00 0.00 H new ATOM 0 HB ILE A 78 3.519 -8.352 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.849 -8.840 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.690 -7.404 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.689 -5.880 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.297 -6.485 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.767 -5.948 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.294 -7.048 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.885 -5.980 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.046 -7.439 5.319 1.00 0.00 H new ATOM 929 N LYS A 79 5.308 -9.965 5.670 1.00 0.00 N ATOM 930 CA LYS A 79 6.241 -11.059 5.849 1.00 0.00 C ATOM 931 C LYS A 79 5.505 -12.332 6.260 1.00 0.00 C ATOM 932 O LYS A 79 6.013 -13.443 6.099 1.00 0.00 O ATOM 933 CB LYS A 79 7.248 -10.651 6.920 1.00 0.00 C ATOM 934 CG LYS A 79 8.337 -11.680 7.190 1.00 0.00 C ATOM 935 CD LYS A 79 9.121 -11.382 8.465 1.00 0.00 C ATOM 936 CE LYS A 79 9.800 -10.016 8.443 1.00 0.00 C ATOM 937 NZ LYS A 79 8.865 -8.906 8.779 1.00 0.00 N ATOM 0 H LYS A 79 5.452 -9.196 6.324 1.00 0.00 H new ATOM 0 HA LYS A 79 6.756 -11.268 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.718 -9.714 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.712 -10.456 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.886 -12.669 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.023 -11.708 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.446 -11.432 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.876 -12.155 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.629 -10.015 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.225 -9.841 7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.684 -8.335 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.968 -9.301 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.289 -8.306 9.515 1.00 0.00 H new ATOM 951 N GLY A 80 4.300 -12.160 6.785 1.00 0.00 N ATOM 952 CA GLY A 80 3.499 -13.294 7.189 1.00 0.00 C ATOM 953 C GLY A 80 2.810 -13.962 6.014 1.00 0.00 C ATOM 954 O GLY A 80 2.363 -15.102 6.118 1.00 0.00 O ATOM 0 H GLY A 80 3.863 -11.251 6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.133 -14.021 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.749 -12.968 7.909 1.00 0.00 H new ATOM 958 N LYS A 81 2.726 -13.258 4.890 1.00 0.00 N ATOM 959 CA LYS A 81 2.055 -13.784 3.711 1.00 0.00 C ATOM 960 C LYS A 81 3.034 -13.848 2.553 1.00 0.00 C ATOM 961 O LYS A 81 4.192 -14.243 2.700 1.00 0.00 O ATOM 962 CB LYS A 81 0.878 -12.890 3.261 1.00 0.00 C ATOM 963 CG LYS A 81 -0.013 -12.348 4.350 1.00 0.00 C ATOM 964 CD LYS A 81 0.666 -11.224 5.097 1.00 0.00 C ATOM 965 CE LYS A 81 -0.163 -10.757 6.285 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.535 -11.879 7.188 1.00 0.00 N ATOM 0 H LYS A 81 3.115 -12.322 4.773 1.00 0.00 H new ATOM 0 HA LYS A 81 1.677 -14.770 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.285 -12.047 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.260 -13.463 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.946 -11.989 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.271 -13.147 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.644 -11.556 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.835 -10.387 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.399 -10.012 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.068 -10.268 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.854 -11.498 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.303 -12.432 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.291 -12.493 7.338 1.00 0.00 H new ATOM 980 N THR A 82 2.529 -13.421 1.413 1.00 0.00 N ATOM 981 CA THR A 82 3.277 -13.305 0.180 1.00 0.00 C ATOM 982 C THR A 82 2.652 -12.186 -0.641 1.00 0.00 C ATOM 983 O THR A 82 1.530 -11.767 -0.345 1.00 0.00 O ATOM 984 CB THR A 82 3.269 -14.616 -0.640 1.00 0.00 C ATOM 985 OG1 THR A 82 1.963 -15.206 -0.617 1.00 0.00 O ATOM 986 CG2 THR A 82 4.292 -15.612 -0.117 1.00 0.00 C ATOM 0 H THR A 82 1.554 -13.136 1.318 1.00 0.00 H new ATOM 0 HA THR A 82 4.318 -13.090 0.423 1.00 0.00 H new ATOM 0 HB THR A 82 3.538 -14.364 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.746 -15.485 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.256 -16.520 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.289 -15.175 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.065 -15.855 0.921 1.00 0.00 H new ATOM 994 N LYS A 83 3.371 -11.692 -1.637 1.00 0.00 N ATOM 995 CA LYS A 83 2.895 -10.599 -2.485 1.00 0.00 C ATOM 996 C LYS A 83 1.474 -10.842 -2.976 1.00 0.00 C ATOM 997 O LYS A 83 0.589 -10.001 -2.816 1.00 0.00 O ATOM 998 CB LYS A 83 3.817 -10.450 -3.688 1.00 0.00 C ATOM 999 CG LYS A 83 5.124 -11.195 -3.529 1.00 0.00 C ATOM 1000 CD LYS A 83 6.113 -10.839 -4.616 1.00 0.00 C ATOM 1001 CE LYS A 83 6.545 -9.385 -4.533 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.554 -9.072 -5.561 1.00 0.00 N ATOM 0 H LYS A 83 4.300 -12.034 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 83 2.898 -9.689 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.304 -10.814 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.026 -9.392 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.557 -10.965 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.935 -12.268 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.989 -11.483 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.665 -11.030 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.678 -8.737 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.953 -9.180 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.183 -8.321 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.114 -9.924 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.078 -8.750 -6.428 1.00 0.00 H new ATOM 1016 N VAL A 84 1.268 -12.000 -3.565 1.00 0.00 N ATOM 1017 CA VAL A 84 -0.008 -12.363 -4.129 1.00 0.00 C ATOM 1018 C VAL A 84 -1.144 -12.292 -3.098 1.00 0.00 C ATOM 1019 O VAL A 84 -2.274 -11.917 -3.425 1.00 0.00 O ATOM 1020 CB VAL A 84 0.094 -13.773 -4.736 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.580 -14.773 -3.703 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.227 -14.204 -5.302 1.00 0.00 C ATOM 0 H VAL A 84 1.986 -12.717 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.255 -11.642 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 84 0.822 -13.739 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.644 -15.762 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.565 -14.475 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.119 -14.801 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.132 -15.204 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.976 -14.215 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.534 -13.507 -6.082 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.836 -12.634 -1.855 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.822 -12.596 -0.788 1.00 0.00 C ATOM 1034 C GLU A 85 -2.073 -11.176 -0.308 1.00 0.00 C ATOM 1035 O GLU A 85 -3.216 -10.777 -0.132 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.366 -13.451 0.390 1.00 0.00 C ATOM 1037 CG GLU A 85 -1.039 -14.881 0.015 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.725 -15.734 1.226 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.672 -16.127 1.940 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.469 -16.007 1.473 1.00 0.00 O ATOM 0 H GLU A 85 0.091 -12.941 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.752 -12.994 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.486 -12.993 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.148 -13.454 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.881 -15.315 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.187 -14.891 -0.664 1.00 0.00 H new ATOM 1047 N VAL A 86 -1.007 -10.424 -0.078 1.00 0.00 N ATOM 1048 CA VAL A 86 -1.132 -9.067 0.443 1.00 0.00 C ATOM 1049 C VAL A 86 -1.965 -8.153 -0.465 1.00 0.00 C ATOM 1050 O VAL A 86 -2.800 -7.392 0.023 1.00 0.00 O ATOM 1051 CB VAL A 86 0.236 -8.424 0.722 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.028 -9.271 1.702 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.044 -8.212 -0.542 1.00 0.00 C ATOM 0 H VAL A 86 -0.047 -10.728 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.665 -9.170 1.388 1.00 0.00 H new ATOM 0 HB VAL A 86 0.043 -7.443 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.994 -8.803 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.477 -9.354 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.182 -10.265 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.001 -7.755 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.217 -9.172 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.496 -7.556 -1.218 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.738 -8.219 -1.772 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.580 -7.484 -2.728 1.00 0.00 C ATOM 1065 C ALA A 87 -4.028 -7.928 -2.605 1.00 0.00 C ATOM 1066 O ALA A 87 -4.947 -7.122 -2.759 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.107 -7.673 -4.154 1.00 0.00 C ATOM 0 H ALA A 87 -0.989 -8.765 -2.197 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.501 -6.424 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.755 -7.114 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.084 -7.309 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.141 -8.732 -4.411 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.237 -9.215 -2.332 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.574 -9.712 -2.070 1.00 0.00 C ATOM 1075 C LYS A 88 -6.113 -9.074 -0.802 1.00 0.00 C ATOM 1076 O LYS A 88 -7.198 -8.523 -0.802 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.593 -11.222 -1.922 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.971 -11.753 -1.602 1.00 0.00 C ATOM 1079 CD LYS A 88 -7.021 -13.253 -1.713 1.00 0.00 C ATOM 1080 CE LYS A 88 -6.118 -13.889 -0.683 1.00 0.00 C ATOM 1081 NZ LYS A 88 -6.107 -15.371 -0.778 1.00 0.00 N ATOM 0 H LYS A 88 -3.502 -9.921 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.202 -9.449 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.236 -11.679 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.901 -11.516 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.253 -11.452 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.700 -11.312 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.045 -13.600 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.715 -13.560 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.103 -13.512 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.444 -13.594 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.473 -15.761 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.070 -15.736 -0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.770 -15.656 -1.720 1.00 0.00 H new ATOM 1095 N MET A 89 -5.322 -9.146 0.263 1.00 0.00 N ATOM 1096 CA MET A 89 -5.674 -8.562 1.557 1.00 0.00 C ATOM 1097 C MET A 89 -6.162 -7.130 1.398 1.00 0.00 C ATOM 1098 O MET A 89 -7.243 -6.770 1.864 1.00 0.00 O ATOM 1099 CB MET A 89 -4.456 -8.580 2.477 1.00 0.00 C ATOM 1100 CG MET A 89 -3.955 -9.972 2.805 1.00 0.00 C ATOM 1101 SD MET A 89 -2.601 -9.950 3.990 1.00 0.00 S ATOM 1102 CE MET A 89 -3.415 -9.195 5.394 1.00 0.00 C ATOM 0 H MET A 89 -4.415 -9.612 0.255 1.00 0.00 H new ATOM 0 HA MET A 89 -6.478 -9.156 1.990 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.650 -8.016 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.706 -8.066 3.405 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.776 -10.566 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.625 -10.462 1.889 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.947 -8.235 5.613 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.469 -9.040 5.164 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.325 -9.849 6.261 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.359 -6.333 0.715 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.654 -4.928 0.495 1.00 0.00 C ATOM 1114 C ILE A 90 -6.944 -4.731 -0.297 1.00 0.00 C ATOM 1115 O ILE A 90 -7.787 -3.925 0.085 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.466 -4.243 -0.215 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.320 -4.079 0.788 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.868 -2.901 -0.823 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -2.012 -3.629 0.178 1.00 0.00 C ATOM 0 H ILE A 90 -4.482 -6.643 0.296 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.804 -4.463 1.469 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.137 -4.870 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.619 -3.357 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.161 -5.030 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.005 -2.451 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.661 -3.056 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.225 -2.237 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.258 -3.539 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.684 -4.361 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.150 -2.662 -0.306 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.116 -5.473 -1.384 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.283 -5.304 -2.225 1.00 0.00 C ATOM 1133 C GLN A 91 -9.524 -5.963 -1.607 1.00 0.00 C ATOM 1134 O GLN A 91 -10.642 -5.494 -1.808 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.002 -5.863 -3.621 1.00 0.00 C ATOM 1136 CG GLN A 91 -8.031 -7.376 -3.707 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.643 -7.893 -5.077 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -8.491 -8.076 -5.949 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -6.356 -8.126 -5.277 1.00 0.00 N ATOM 0 H GLN A 91 -6.464 -6.192 -1.698 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.495 -4.238 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.737 -5.458 -4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.024 -5.511 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.353 -7.791 -2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.032 -7.730 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.685 -7.961 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.035 -8.471 -6.182 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.311 -7.018 -0.826 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.400 -7.815 -0.264 1.00 0.00 C ATOM 1150 C GLU A 92 -11.203 -7.048 0.775 1.00 0.00 C ATOM 1151 O GLU A 92 -12.436 -7.064 0.753 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.834 -9.082 0.371 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.882 -9.946 1.036 1.00 0.00 C ATOM 1154 CD GLU A 92 -10.412 -11.367 1.251 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -10.538 -12.186 0.313 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.924 -11.677 2.357 1.00 0.00 O ATOM 0 H GLU A 92 -8.381 -7.345 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.074 -8.066 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.326 -9.667 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.082 -8.804 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.153 -9.508 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.783 -9.954 0.423 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.493 -6.414 1.698 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.124 -5.647 2.779 1.00 0.00 C ATOM 1165 C VAL A 93 -12.173 -4.668 2.246 1.00 0.00 C ATOM 1166 O VAL A 93 -13.184 -4.429 2.904 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.084 -4.881 3.634 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.119 -5.855 4.290 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.328 -3.854 2.803 1.00 0.00 C ATOM 0 H VAL A 93 -9.473 -6.412 1.725 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.621 -6.378 3.416 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.622 -4.342 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.394 -5.302 4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.673 -6.539 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.597 -6.424 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.607 -3.335 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.803 -4.358 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.032 -3.133 2.388 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.924 -4.130 1.047 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.873 -3.259 0.348 1.00 0.00 C ATOM 1181 C LYS A 94 -13.072 -1.922 1.067 1.00 0.00 C ATOM 1182 O LYS A 94 -13.167 -1.855 2.294 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.223 -3.966 0.166 1.00 0.00 C ATOM 1184 CG LYS A 94 -15.246 -3.153 -0.616 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.566 -3.895 -0.761 1.00 0.00 C ATOM 1186 CE LYS A 94 -17.241 -4.111 0.584 1.00 0.00 C ATOM 1187 NZ LYS A 94 -18.507 -4.874 0.457 1.00 0.00 N ATOM 0 H LYS A 94 -11.057 -4.287 0.534 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.445 -3.044 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.059 -4.914 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.634 -4.201 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.417 -2.202 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.848 -2.922 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -17.231 -3.331 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.391 -4.859 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.562 -4.645 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -17.445 -3.145 1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -18.933 -4.998 1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -19.166 -4.353 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -18.310 -5.806 0.040 1.00 0.00 H new ATOM 1201 N GLY A 95 -13.116 -0.850 0.293 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.445 0.443 0.850 1.00 0.00 C ATOM 1203 C GLY A 95 -12.234 1.222 1.318 1.00 0.00 C ATOM 1204 O GLY A 95 -12.060 2.375 0.939 1.00 0.00 O ATOM 0 H GLY A 95 -12.930 -0.852 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.977 1.029 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.126 0.306 1.690 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.376 0.593 2.109 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.281 1.290 2.739 1.00 0.00 C ATOM 1210 C GLU A 96 -8.965 0.606 2.420 1.00 0.00 C ATOM 1211 O GLU A 96 -8.932 -0.450 1.783 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.480 1.296 4.250 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.347 -0.093 4.836 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.625 -0.158 6.323 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.701 0.098 7.123 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.767 -0.491 6.699 1.00 0.00 O ATOM 0 H GLU A 96 -11.424 -0.403 2.326 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.257 2.312 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.747 1.958 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.465 1.698 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.033 -0.763 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.339 -0.462 4.648 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.902 1.217 2.895 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.544 0.692 2.770 1.00 0.00 C ATOM 1225 C VAL A 97 -5.717 1.179 3.957 1.00 0.00 C ATOM 1226 O VAL A 97 -6.003 2.235 4.524 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.829 1.146 1.467 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.651 0.830 0.229 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.498 2.627 1.519 1.00 0.00 C ATOM 0 H VAL A 97 -7.949 2.108 3.389 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.625 -0.395 2.742 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.899 0.582 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.114 1.164 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.819 -0.245 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.610 1.344 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.998 2.921 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.417 3.202 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.841 2.823 2.366 1.00 0.00 H new ATOM 1239 N THR A 98 -4.722 0.408 4.363 1.00 0.00 N ATOM 1240 CA THR A 98 -3.819 0.854 5.406 1.00 0.00 C ATOM 1241 C THR A 98 -2.384 0.415 5.110 1.00 0.00 C ATOM 1242 O THR A 98 -2.052 -0.768 5.205 1.00 0.00 O ATOM 1243 CB THR A 98 -4.248 0.332 6.787 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.679 0.311 6.875 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.691 1.219 7.885 1.00 0.00 C ATOM 0 H THR A 98 -4.522 -0.520 3.990 1.00 0.00 H new ATOM 0 HA THR A 98 -3.861 1.943 5.423 1.00 0.00 H new ATOM 0 HB THR A 98 -3.857 -0.678 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.948 -0.024 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.004 0.836 8.856 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.602 1.225 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.066 2.234 7.758 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.553 1.373 4.734 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.138 1.125 4.482 1.00 0.00 C ATOM 1255 C ILE A 99 0.659 1.339 5.756 1.00 0.00 C ATOM 1256 O ILE A 99 0.398 2.286 6.504 1.00 0.00 O ATOM 1257 CB ILE A 99 0.435 2.052 3.386 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.230 3.434 3.456 1.00 0.00 C ATOM 1259 CG2 ILE A 99 0.275 1.427 2.006 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.493 3.560 2.622 1.00 0.00 C ATOM 0 H ILE A 99 -1.836 2.343 4.594 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.054 0.094 4.139 1.00 0.00 H new ATOM 0 HB ILE A 99 1.503 2.181 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.471 3.657 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.486 4.187 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.686 2.099 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.807 0.476 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.783 1.258 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.900 4.566 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.258 3.371 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.229 2.833 2.965 1.00 0.00 H new ATOM 1272 N HIS A 100 1.623 0.468 6.008 1.00 0.00 N ATOM 1273 CA HIS A 100 2.402 0.544 7.232 1.00 0.00 C ATOM 1274 C HIS A 100 3.868 0.189 7.007 1.00 0.00 C ATOM 1275 O HIS A 100 4.183 -0.871 6.462 1.00 0.00 O ATOM 1276 CB HIS A 100 1.820 -0.406 8.283 1.00 0.00 C ATOM 1277 CG HIS A 100 1.105 0.275 9.409 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.557 0.245 10.711 1.00 0.00 N ATOM 1279 CD2 HIS A 100 -0.049 0.986 9.431 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.713 0.903 11.484 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.269 1.364 10.733 1.00 0.00 N ATOM 0 H HIS A 100 1.883 -0.296 5.384 1.00 0.00 H new ATOM 0 HA HIS A 100 2.351 1.576 7.578 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.129 -1.091 7.792 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.628 -1.010 8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.678 1.213 8.583 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.810 1.041 12.551 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.063 1.912 11.065 1.00 0.00 H new ATOM 1290 N TYR A 101 4.746 1.106 7.392 1.00 0.00 N ATOM 1291 CA TYR A 101 6.157 0.811 7.625 1.00 0.00 C ATOM 1292 C TYR A 101 6.836 2.041 8.175 1.00 0.00 C ATOM 1293 O TYR A 101 6.514 2.493 9.276 1.00 0.00 O ATOM 1294 CB TYR A 101 6.908 0.313 6.375 1.00 0.00 C ATOM 1295 CG TYR A 101 8.317 -0.251 6.643 1.00 0.00 C ATOM 1296 CD1 TYR A 101 8.935 -0.137 7.888 1.00 0.00 C ATOM 1297 CD2 TYR A 101 9.017 -0.917 5.645 1.00 0.00 C ATOM 1298 CE1 TYR A 101 10.194 -0.658 8.118 1.00 0.00 C ATOM 1299 CE2 TYR A 101 10.274 -1.445 5.871 1.00 0.00 C ATOM 1300 CZ TYR A 101 10.859 -1.311 7.106 1.00 0.00 C ATOM 1301 OH TYR A 101 12.110 -1.839 7.334 1.00 0.00 O ATOM 0 H TYR A 101 4.499 2.083 7.553 1.00 0.00 H new ATOM 0 HA TYR A 101 6.191 -0.010 8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.309 -0.460 5.894 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.992 1.138 5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.418 0.370 8.690 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.568 -1.025 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.655 -0.553 9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.795 -1.962 5.078 1.00 0.00 H new ATOM 0 HH TYR A 101 12.741 -1.483 6.673 1.00 0.00 H new ATOM 1311 N ASN A 102 7.737 2.609 7.396 1.00 0.00 N ATOM 1312 CA ASN A 102 8.603 3.644 7.909 1.00 0.00 C ATOM 1313 C ASN A 102 9.539 4.160 6.819 1.00 0.00 C ATOM 1314 O ASN A 102 9.414 3.791 5.643 1.00 0.00 O ATOM 1315 CB ASN A 102 9.402 3.063 9.091 1.00 0.00 C ATOM 1316 CG ASN A 102 9.585 4.070 10.193 1.00 0.00 C ATOM 1317 OD1 ASN A 102 10.664 4.827 10.115 1.00 0.00 O flip ATOM 1318 ND2 ASN A 102 8.775 4.158 11.112 1.00 0.00 N flip ATOM 0 H ASN A 102 7.885 2.372 6.415 1.00 0.00 H new ATOM 0 HA ASN A 102 8.007 4.491 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.886 2.186 9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.378 2.728 8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.955 3.551 11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.922 4.838 11.858 1.00 0.00 H new ATOM 1325 N LYS A 103 10.466 5.019 7.219 1.00 0.00 N ATOM 1326 CA LYS A 103 11.520 5.480 6.348 1.00 0.00 C ATOM 1327 C LYS A 103 12.694 4.559 6.582 1.00 0.00 C ATOM 1328 O LYS A 103 12.621 3.771 7.521 1.00 0.00 O ATOM 1329 CB LYS A 103 11.886 6.916 6.720 1.00 0.00 C ATOM 1330 CG LYS A 103 10.690 7.757 7.155 1.00 0.00 C ATOM 1331 CD LYS A 103 9.999 8.433 5.987 1.00 0.00 C ATOM 1332 CE LYS A 103 9.215 7.453 5.129 1.00 0.00 C ATOM 1333 NZ LYS A 103 8.649 8.110 3.926 1.00 0.00 N ATOM 0 H LYS A 103 10.502 5.412 8.159 1.00 0.00 H new ATOM 0 HA LYS A 103 11.220 5.469 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.620 6.898 7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 103 12.364 7.394 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.975 7.122 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 103 11.022 8.515 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.324 9.202 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.744 8.936 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.866 6.634 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.409 7.017 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.775 7.622 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.436 9.105 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.339 8.065 3.149 1.00 0.00 H new ATOM 1347 N LEU A 104 13.747 4.665 5.756 1.00 0.00 N ATOM 1348 CA LEU A 104 14.902 3.737 5.774 1.00 0.00 C ATOM 1349 C LEU A 104 14.475 2.278 5.669 1.00 0.00 C ATOM 1350 O LEU A 104 13.365 1.887 6.023 1.00 0.00 O ATOM 1351 CB LEU A 104 15.823 3.939 6.999 1.00 0.00 C ATOM 1352 CG LEU A 104 15.139 3.946 8.362 1.00 0.00 C ATOM 1353 CD1 LEU A 104 15.010 2.537 8.908 1.00 0.00 C ATOM 1354 CD2 LEU A 104 15.870 4.844 9.333 1.00 0.00 C ATOM 0 H LEU A 104 13.827 5.398 5.052 1.00 0.00 H new ATOM 0 HA LEU A 104 15.481 3.987 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.574 3.149 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.353 4.884 6.877 1.00 0.00 H new ATOM 0 HG LEU A 104 14.134 4.349 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.519 2.567 9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.417 1.933 8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.001 2.096 9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.360 4.830 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.893 4.488 9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.885 5.863 8.946 1.00 0.00 H new ATOM 1366 N GLN A 105 15.366 1.462 5.163 1.00 0.00 N ATOM 1367 CA GLN A 105 15.058 0.063 4.998 1.00 0.00 C ATOM 1368 C GLN A 105 15.466 -0.719 6.225 1.00 0.00 C ATOM 1369 O GLN A 105 15.047 -1.860 6.402 1.00 0.00 O ATOM 1370 CB GLN A 105 15.728 -0.521 3.747 1.00 0.00 C ATOM 1371 CG GLN A 105 17.253 -0.517 3.766 1.00 0.00 C ATOM 1372 CD GLN A 105 17.851 0.870 3.648 1.00 0.00 C ATOM 1373 OE1 GLN A 105 18.112 1.533 4.653 1.00 0.00 O ATOM 1374 NE2 GLN A 105 18.060 1.322 2.423 1.00 0.00 N ATOM 0 H GLN A 105 16.300 1.738 4.861 1.00 0.00 H new ATOM 0 HA GLN A 105 13.979 -0.022 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 105 15.385 -1.547 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 105 15.390 0.042 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 105 17.599 -0.976 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 105 17.621 -1.135 2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 105 17.829 0.739 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 105 18.452 2.253 2.283 1.00 0.00 H new ATOM 1383 N ALA A 106 16.253 -0.084 7.087 1.00 0.00 N ATOM 1384 CA ALA A 106 16.819 -0.770 8.234 1.00 0.00 C ATOM 1385 C ALA A 106 17.665 0.147 9.104 1.00 0.00 C ATOM 1386 O ALA A 106 18.056 1.241 8.693 1.00 0.00 O ATOM 1387 CB ALA A 106 17.689 -1.905 7.751 1.00 0.00 C ATOM 0 H ALA A 106 16.510 0.900 7.011 1.00 0.00 H new ATOM 0 HA ALA A 106 15.987 -1.133 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 106 18.118 -2.425 8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 106 17.087 -2.602 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 106 18.491 -1.509 7.128 1.00 0.00 H new ATOM 1393 N ASP A 107 17.946 -0.333 10.307 1.00 0.00 N ATOM 1394 CA ASP A 107 18.937 0.270 11.188 1.00 0.00 C ATOM 1395 C ASP A 107 19.897 -0.834 11.557 1.00 0.00 C ATOM 1396 O ASP A 107 19.461 -1.963 11.626 1.00 0.00 O ATOM 1397 CB ASP A 107 18.299 0.845 12.464 1.00 0.00 C ATOM 1398 CG ASP A 107 17.414 2.053 12.222 1.00 0.00 C ATOM 1399 OD1 ASP A 107 17.948 3.181 12.142 1.00 0.00 O ATOM 1400 OD2 ASP A 107 16.178 1.882 12.157 1.00 0.00 O ATOM 0 H ASP A 107 17.491 -1.156 10.702 1.00 0.00 H new ATOM 0 HA ASP A 107 19.431 1.100 10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 107 17.708 0.066 12.945 1.00 0.00 H new ATOM 0 HB3 ASP A 107 19.090 1.121 13.161 1.00 0.00 H new ATOM 1405 N PRO A 108 21.190 -0.544 11.800 1.00 0.00 N ATOM 1406 CA PRO A 108 22.232 -1.565 12.032 1.00 0.00 C ATOM 1407 C PRO A 108 21.729 -2.841 12.729 1.00 0.00 C ATOM 1408 O PRO A 108 21.923 -3.951 12.228 1.00 0.00 O ATOM 1409 CB PRO A 108 23.209 -0.809 12.919 1.00 0.00 C ATOM 1410 CG PRO A 108 23.161 0.590 12.403 1.00 0.00 C ATOM 1411 CD PRO A 108 21.758 0.816 11.885 1.00 0.00 C ATOM 0 HA PRO A 108 22.646 -1.946 11.098 1.00 0.00 H new ATOM 0 HB2 PRO A 108 22.915 -0.857 13.968 1.00 0.00 H new ATOM 0 HB3 PRO A 108 24.214 -1.225 12.850 1.00 0.00 H new ATOM 0 HG2 PRO A 108 23.401 1.302 13.193 1.00 0.00 H new ATOM 0 HG3 PRO A 108 23.894 0.735 11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 108 21.180 1.449 12.558 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.765 1.308 10.912 1.00 0.00 H new ATOM 1419 N LYS A 109 21.060 -2.661 13.861 1.00 0.00 N ATOM 1420 CA LYS A 109 20.476 -3.768 14.628 1.00 0.00 C ATOM 1421 C LYS A 109 19.520 -4.622 13.794 1.00 0.00 C ATOM 1422 O LYS A 109 19.560 -5.848 13.837 1.00 0.00 O ATOM 1423 CB LYS A 109 19.715 -3.199 15.826 1.00 0.00 C ATOM 1424 CG LYS A 109 18.696 -2.130 15.434 1.00 0.00 C ATOM 1425 CD LYS A 109 17.939 -1.585 16.636 1.00 0.00 C ATOM 1426 CE LYS A 109 17.066 -2.647 17.282 1.00 0.00 C ATOM 1427 NZ LYS A 109 16.268 -2.095 18.407 1.00 0.00 N ATOM 0 H LYS A 109 20.904 -1.744 14.279 1.00 0.00 H new ATOM 0 HA LYS A 109 21.296 -4.410 14.950 1.00 0.00 H new ATOM 0 HB2 LYS A 109 19.202 -4.010 16.342 1.00 0.00 H new ATOM 0 HB3 LYS A 109 20.427 -2.772 16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 109 19.208 -1.311 14.928 1.00 0.00 H new ATOM 0 HG3 LYS A 109 17.987 -2.551 14.721 1.00 0.00 H new ATOM 0 HD2 LYS A 109 18.649 -1.202 17.370 1.00 0.00 H new ATOM 0 HD3 LYS A 109 17.319 -0.745 16.324 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.396 -3.071 16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.693 -3.461 17.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.685 -2.850 18.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.908 -1.713 19.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.651 -1.335 18.055 1.00 0.00 H new ATOM 1441 N GLN A 110 18.653 -3.957 13.061 1.00 0.00 N ATOM 1442 CA GLN A 110 17.645 -4.602 12.257 1.00 0.00 C ATOM 1443 C GLN A 110 18.167 -4.889 10.864 1.00 0.00 C ATOM 1444 O GLN A 110 17.582 -5.657 10.110 1.00 0.00 O ATOM 1445 CB GLN A 110 16.425 -3.707 12.191 1.00 0.00 C ATOM 1446 CG GLN A 110 15.612 -3.699 13.465 1.00 0.00 C ATOM 1447 CD GLN A 110 15.126 -5.082 13.865 1.00 0.00 C ATOM 1448 OE1 GLN A 110 15.804 -5.804 14.599 1.00 0.00 O ATOM 1449 NE2 GLN A 110 13.952 -5.461 13.386 1.00 0.00 N ATOM 0 H GLN A 110 18.631 -2.939 13.008 1.00 0.00 H new ATOM 0 HA GLN A 110 17.377 -5.556 12.712 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.743 -2.689 11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.790 -4.032 11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.215 -3.284 14.272 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.753 -3.040 13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 110 13.421 -4.834 12.781 1.00 0.00 H new ATOM 0 HE22 GLN A 110 13.578 -6.380 13.621 1.00 0.00 H new ATOM 1458 N LEU A 111 19.288 -4.277 10.551 1.00 0.00 N ATOM 1459 CA LEU A 111 19.905 -4.393 9.253 1.00 0.00 C ATOM 1460 C LEU A 111 20.477 -5.790 9.092 1.00 0.00 C ATOM 1461 O LEU A 111 20.340 -6.397 8.042 1.00 0.00 O ATOM 1462 CB LEU A 111 20.981 -3.301 9.118 1.00 0.00 C ATOM 1463 CG LEU A 111 21.760 -3.239 7.792 1.00 0.00 C ATOM 1464 CD1 LEU A 111 22.814 -4.331 7.711 1.00 0.00 C ATOM 1465 CD2 LEU A 111 20.809 -3.328 6.609 1.00 0.00 C ATOM 0 H LEU A 111 19.800 -3.679 11.199 1.00 0.00 H new ATOM 0 HA LEU A 111 19.175 -4.246 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.502 -2.334 9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 111 21.700 -3.434 9.926 1.00 0.00 H new ATOM 0 HG LEU A 111 22.275 -2.279 7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 111 23.344 -4.256 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 111 23.522 -4.215 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 111 22.333 -5.307 7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 111 21.378 -3.282 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 111 20.261 -4.269 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 111 20.105 -2.496 6.644 1.00 0.00 H new ATOM 1477 N GLU A 112 21.088 -6.304 10.153 1.00 0.00 N ATOM 1478 CA GLU A 112 21.617 -7.666 10.142 1.00 0.00 C ATOM 1479 C GLU A 112 20.474 -8.684 10.150 1.00 0.00 C ATOM 1480 O GLU A 112 20.630 -9.823 9.710 1.00 0.00 O ATOM 1481 CB GLU A 112 22.507 -7.886 11.355 1.00 0.00 C ATOM 1482 CG GLU A 112 21.809 -7.508 12.639 1.00 0.00 C ATOM 1483 CD GLU A 112 22.484 -8.068 13.869 1.00 0.00 C ATOM 1484 OE1 GLU A 112 23.600 -7.615 14.202 1.00 0.00 O ATOM 1485 OE2 GLU A 112 21.905 -8.970 14.509 1.00 0.00 O ATOM 0 H GLU A 112 21.230 -5.802 11.029 1.00 0.00 H new ATOM 0 HA GLU A 112 22.204 -7.803 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 112 22.808 -8.933 11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.418 -7.296 11.249 1.00 0.00 H new ATOM 0 HG2 GLU A 112 21.769 -6.422 12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 112 20.779 -7.863 12.604 1.00 0.00 H new ATOM 1492 N VAL A 113 19.328 -8.254 10.657 1.00 0.00 N ATOM 1493 CA VAL A 113 18.138 -9.093 10.721 1.00 0.00 C ATOM 1494 C VAL A 113 17.472 -9.160 9.352 1.00 0.00 C ATOM 1495 O VAL A 113 17.095 -10.229 8.869 1.00 0.00 O ATOM 1496 CB VAL A 113 17.140 -8.527 11.754 1.00 0.00 C ATOM 1497 CG1 VAL A 113 15.861 -9.343 11.800 1.00 0.00 C ATOM 1498 CG2 VAL A 113 17.776 -8.465 13.129 1.00 0.00 C ATOM 0 H VAL A 113 19.196 -7.316 11.035 1.00 0.00 H new ATOM 0 HA VAL A 113 18.436 -10.096 11.026 1.00 0.00 H new ATOM 0 HB VAL A 113 16.879 -7.516 11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.183 -8.915 12.538 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.385 -9.330 10.819 1.00 0.00 H new ATOM 0 HG13 VAL A 113 16.095 -10.371 12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 113 17.058 -8.064 13.844 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.074 -9.467 13.438 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.654 -7.820 13.095 1.00 0.00 H new ATOM 1508 N LEU A 114 17.352 -7.997 8.734 1.00 0.00 N ATOM 1509 CA LEU A 114 16.743 -7.858 7.423 1.00 0.00 C ATOM 1510 C LEU A 114 17.749 -8.179 6.338 1.00 0.00 C ATOM 1511 O LEU A 114 17.433 -8.166 5.151 1.00 0.00 O ATOM 1512 CB LEU A 114 16.224 -6.441 7.249 1.00 0.00 C ATOM 1513 CG LEU A 114 14.970 -6.103 8.060 1.00 0.00 C ATOM 1514 CD1 LEU A 114 14.624 -4.631 7.917 1.00 0.00 C ATOM 1515 CD2 LEU A 114 13.798 -6.971 7.621 1.00 0.00 C ATOM 0 H LEU A 114 17.677 -7.116 9.132 1.00 0.00 H new ATOM 0 HA LEU A 114 15.912 -8.558 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 114 17.015 -5.745 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 114 16.010 -6.276 6.193 1.00 0.00 H new ATOM 0 HG LEU A 114 15.175 -6.309 9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 114 13.730 -4.409 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.454 -4.025 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.439 -4.401 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.916 -6.716 8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.593 -6.798 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 114 14.045 -8.021 7.775 1.00 0.00 H new ATOM 1527 N PHE A 115 18.963 -8.442 6.787 1.00 0.00 N ATOM 1528 CA PHE A 115 20.104 -8.799 5.938 1.00 0.00 C ATOM 1529 C PHE A 115 19.898 -10.135 5.216 1.00 0.00 C ATOM 1530 O PHE A 115 20.831 -10.930 5.098 1.00 0.00 O ATOM 1531 CB PHE A 115 21.335 -8.883 6.831 1.00 0.00 C ATOM 1532 CG PHE A 115 22.656 -8.719 6.137 1.00 0.00 C ATOM 1533 CD1 PHE A 115 22.956 -7.547 5.461 1.00 0.00 C ATOM 1534 CD2 PHE A 115 23.611 -9.720 6.188 1.00 0.00 C ATOM 1535 CE1 PHE A 115 24.181 -7.378 4.847 1.00 0.00 C ATOM 1536 CE2 PHE A 115 24.836 -9.560 5.573 1.00 0.00 C ATOM 1537 CZ PHE A 115 25.122 -8.387 4.903 1.00 0.00 C ATOM 0 H PHE A 115 19.197 -8.415 7.779 1.00 0.00 H new ATOM 0 HA PHE A 115 20.220 -8.039 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 115 21.254 -8.118 7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 115 21.329 -9.848 7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 115 22.222 -6.756 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 115 23.395 -10.637 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 115 24.403 -6.459 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 115 25.570 -10.351 5.616 1.00 0.00 H new ATOM 0 HZ PHE A 115 26.081 -8.259 4.423 1.00 0.00 H new ATOM 1547 N GLN A 116 18.678 -10.389 4.769 1.00 0.00 N ATOM 1548 CA GLN A 116 18.347 -11.623 4.087 1.00 0.00 C ATOM 1549 C GLN A 116 19.164 -11.758 2.816 1.00 0.00 C ATOM 1550 O GLN A 116 18.842 -11.181 1.780 1.00 0.00 O ATOM 1551 CB GLN A 116 16.863 -11.673 3.749 1.00 0.00 C ATOM 1552 CG GLN A 116 15.953 -11.460 4.946 1.00 0.00 C ATOM 1553 CD GLN A 116 14.489 -11.630 4.599 1.00 0.00 C ATOM 1554 OE1 GLN A 116 13.811 -10.678 4.217 1.00 0.00 O ATOM 1555 NE2 GLN A 116 13.988 -12.848 4.737 1.00 0.00 N ATOM 0 H GLN A 116 17.894 -9.745 4.870 1.00 0.00 H new ATOM 0 HA GLN A 116 18.582 -12.451 4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 116 16.645 -10.912 2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 116 16.635 -12.639 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 116 16.221 -12.166 5.732 1.00 0.00 H new ATOM 0 HG3 GLN A 116 16.114 -10.459 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.584 -13.611 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.006 -13.023 4.524 1.00 0.00 H new ATOM 1564 N GLY A 117 20.228 -12.519 2.924 1.00 0.00 N ATOM 1565 CA GLY A 117 21.068 -12.801 1.784 1.00 0.00 C ATOM 1566 C GLY A 117 20.645 -14.099 1.153 1.00 0.00 C ATOM 1567 O GLY A 117 20.449 -14.174 -0.060 1.00 0.00 O ATOM 0 H GLY A 117 20.533 -12.956 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 117 20.996 -11.992 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 117 22.111 -12.859 2.094 1.00 0.00 H new ATOM 1571 N PRO A 118 20.523 -15.150 1.982 1.00 0.00 N ATOM 1572 CA PRO A 118 19.834 -16.392 1.653 1.00 0.00 C ATOM 1573 C PRO A 118 18.611 -16.178 0.756 1.00 0.00 C ATOM 1574 O PRO A 118 18.489 -16.797 -0.306 1.00 0.00 O ATOM 1575 CB PRO A 118 19.405 -16.903 3.046 1.00 0.00 C ATOM 1576 CG PRO A 118 19.972 -15.938 4.040 1.00 0.00 C ATOM 1577 CD PRO A 118 21.086 -15.251 3.326 1.00 0.00 C ATOM 0 HA PRO A 118 20.463 -17.080 1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 118 18.319 -16.950 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.781 -17.910 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.217 -15.225 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.334 -16.455 4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 118 21.312 -14.275 3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 118 22.009 -15.830 3.346 1.00 0.00 H new ATOM 1585 N GLN A 119 17.711 -15.301 1.184 1.00 0.00 N ATOM 1586 CA GLN A 119 16.533 -14.969 0.395 1.00 0.00 C ATOM 1587 C GLN A 119 16.905 -13.991 -0.713 1.00 0.00 C ATOM 1588 O GLN A 119 17.288 -12.855 -0.444 1.00 0.00 O ATOM 1589 CB GLN A 119 15.450 -14.355 1.285 1.00 0.00 C ATOM 1590 CG GLN A 119 14.114 -14.169 0.585 1.00 0.00 C ATOM 1591 CD GLN A 119 13.114 -13.410 1.431 1.00 0.00 C ATOM 1592 OE1 GLN A 119 12.378 -13.999 2.223 1.00 0.00 O ATOM 1593 NE2 GLN A 119 13.068 -12.101 1.256 1.00 0.00 N ATOM 0 H GLN A 119 17.775 -14.807 2.074 1.00 0.00 H new ATOM 0 HA GLN A 119 16.145 -15.885 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 119 15.307 -14.991 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 119 15.797 -13.388 1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.270 -13.635 -0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 119 13.702 -15.146 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 119 13.696 -11.653 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 119 12.404 -11.538 1.788 1.00 0.00 H new ATOM 1602 N PHE A 120 16.806 -14.438 -1.956 1.00 0.00 N ATOM 1603 CA PHE A 120 17.134 -13.586 -3.092 1.00 0.00 C ATOM 1604 C PHE A 120 15.995 -12.611 -3.383 1.00 0.00 C ATOM 1605 O PHE A 120 16.217 -11.523 -3.917 1.00 0.00 O ATOM 1606 CB PHE A 120 17.467 -14.428 -4.332 1.00 0.00 C ATOM 1607 CG PHE A 120 16.404 -15.426 -4.710 1.00 0.00 C ATOM 1608 CD1 PHE A 120 16.371 -16.682 -4.123 1.00 0.00 C ATOM 1609 CD2 PHE A 120 15.444 -15.109 -5.655 1.00 0.00 C ATOM 1610 CE1 PHE A 120 15.400 -17.600 -4.472 1.00 0.00 C ATOM 1611 CE2 PHE A 120 14.470 -16.022 -6.006 1.00 0.00 C ATOM 1612 CZ PHE A 120 14.448 -17.268 -5.415 1.00 0.00 C ATOM 0 H PHE A 120 16.503 -15.380 -2.204 1.00 0.00 H new ATOM 0 HA PHE A 120 18.020 -13.005 -2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 120 17.637 -13.759 -5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 120 18.401 -14.960 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 120 17.113 -16.945 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 120 15.457 -14.136 -6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 120 15.385 -18.575 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 120 13.725 -15.761 -6.743 1.00 0.00 H new ATOM 0 HZ PHE A 120 13.687 -17.983 -5.690 1.00 0.00 H new ATOM 1622 N THR A 121 14.782 -13.014 -3.007 1.00 0.00 N ATOM 1623 CA THR A 121 13.596 -12.171 -3.128 1.00 0.00 C ATOM 1624 C THR A 121 13.336 -11.795 -4.599 1.00 0.00 C ATOM 1625 O THR A 121 13.558 -12.619 -5.492 1.00 0.00 O ATOM 1626 CB THR A 121 13.740 -10.909 -2.244 1.00 0.00 C ATOM 1627 OG1 THR A 121 14.493 -11.233 -1.063 1.00 0.00 O ATOM 1628 CG2 THR A 121 12.377 -10.379 -1.815 1.00 0.00 C ATOM 0 H THR A 121 14.595 -13.935 -2.610 1.00 0.00 H new ATOM 0 HA THR A 121 12.733 -12.736 -2.776 1.00 0.00 H new ATOM 0 HB THR A 121 14.251 -10.145 -2.830 1.00 0.00 H new ATOM 0 HG1 THR A 121 15.213 -10.579 -0.945 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.510 -9.492 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 121 11.793 -10.120 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 121 11.852 -11.145 -1.244 1.00 0.00 H new ATOM 1636 N LEU A 122 12.856 -10.570 -4.844 1.00 0.00 N ATOM 1637 CA LEU A 122 12.521 -10.108 -6.192 1.00 0.00 C ATOM 1638 C LEU A 122 11.404 -10.956 -6.811 1.00 0.00 C ATOM 1639 O LEU A 122 10.729 -11.712 -6.104 1.00 0.00 O ATOM 1640 CB LEU A 122 13.761 -10.123 -7.096 1.00 0.00 C ATOM 1641 CG LEU A 122 14.909 -9.205 -6.666 1.00 0.00 C ATOM 1642 CD1 LEU A 122 16.099 -9.390 -7.590 1.00 0.00 C ATOM 1643 CD2 LEU A 122 14.468 -7.748 -6.662 1.00 0.00 C ATOM 0 H LEU A 122 12.690 -9.875 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 122 12.161 -9.083 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 122 14.137 -11.145 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.456 -9.844 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 122 15.201 -9.475 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 122 16.910 -8.733 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 122 16.435 -10.426 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.808 -9.144 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.301 -7.117 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 122 14.148 -7.462 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 122 13.639 -7.621 -5.966 1.00 0.00 H new ATOM 1655 N ARG A 123 11.210 -10.776 -8.125 1.00 0.00 N ATOM 1656 CA ARG A 123 10.226 -11.511 -8.947 1.00 0.00 C ATOM 1657 C ARG A 123 8.786 -11.365 -8.440 1.00 0.00 C ATOM 1658 O ARG A 123 8.540 -10.919 -7.319 1.00 0.00 O ATOM 1659 CB ARG A 123 10.604 -12.996 -9.127 1.00 0.00 C ATOM 1660 CG ARG A 123 10.390 -13.887 -7.912 1.00 0.00 C ATOM 1661 CD ARG A 123 10.915 -15.292 -8.162 1.00 0.00 C ATOM 1662 NE ARG A 123 12.338 -15.284 -8.502 1.00 0.00 N ATOM 1663 CZ ARG A 123 12.959 -16.260 -9.163 1.00 0.00 C ATOM 1664 NH1 ARG A 123 12.293 -17.348 -9.530 1.00 0.00 N ATOM 1665 NH2 ARG A 123 14.252 -16.146 -9.446 1.00 0.00 N ATOM 0 H ARG A 123 11.746 -10.097 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 123 10.262 -11.039 -9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.025 -13.401 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.654 -13.052 -9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 123 10.895 -13.456 -7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.328 -13.930 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.756 -15.903 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.350 -15.753 -8.972 1.00 0.00 H new ATOM 0 HE ARG A 123 12.892 -14.477 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 123 11.302 -17.439 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 123 12.772 -18.093 -10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.766 -15.313 -9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.731 -16.891 -9.952 1.00 0.00 H new ATOM 1679 N HIS A 124 7.838 -11.744 -9.301 1.00 0.00 N ATOM 1680 CA HIS A 124 6.408 -11.585 -9.032 1.00 0.00 C ATOM 1681 C HIS A 124 6.050 -10.113 -8.888 1.00 0.00 C ATOM 1682 O HIS A 124 6.138 -9.549 -7.799 1.00 0.00 O ATOM 1683 CB HIS A 124 5.978 -12.351 -7.776 1.00 0.00 C ATOM 1684 CG HIS A 124 6.040 -13.836 -7.914 1.00 0.00 C ATOM 1685 ND1 HIS A 124 6.775 -14.637 -7.072 1.00 0.00 N ATOM 1686 CD2 HIS A 124 5.441 -14.670 -8.795 1.00 0.00 C ATOM 1687 CE1 HIS A 124 6.628 -15.897 -7.428 1.00 0.00 C ATOM 1688 NE2 HIS A 124 5.823 -15.947 -8.472 1.00 0.00 N ATOM 0 H HIS A 124 8.041 -12.170 -10.205 1.00 0.00 H new ATOM 0 HA HIS A 124 5.871 -12.003 -9.883 1.00 0.00 H new ATOM 0 HB2 HIS A 124 6.613 -12.048 -6.944 1.00 0.00 H new ATOM 0 HB3 HIS A 124 4.958 -12.063 -7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 124 4.784 -14.383 -9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 124 7.089 -16.746 -6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 124 5.533 -16.795 -8.959 1.00 0.00 H new ATOM 1697 N TRP A 125 5.643 -9.496 -9.985 1.00 0.00 N ATOM 1698 CA TRP A 125 5.309 -8.082 -9.972 1.00 0.00 C ATOM 1699 C TRP A 125 4.015 -7.860 -9.198 1.00 0.00 C ATOM 1700 O TRP A 125 2.928 -8.217 -9.653 1.00 0.00 O ATOM 1701 CB TRP A 125 5.189 -7.538 -11.398 1.00 0.00 C ATOM 1702 CG TRP A 125 4.983 -6.053 -11.452 1.00 0.00 C ATOM 1703 CD1 TRP A 125 5.774 -5.095 -10.887 1.00 0.00 C ATOM 1704 CD2 TRP A 125 3.921 -5.357 -12.114 1.00 0.00 C ATOM 1705 NE1 TRP A 125 5.263 -3.848 -11.147 1.00 0.00 N ATOM 1706 CE2 TRP A 125 4.128 -3.981 -11.900 1.00 0.00 C ATOM 1707 CE3 TRP A 125 2.816 -5.763 -12.866 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 3.269 -3.012 -12.410 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 1.965 -4.800 -13.373 1.00 0.00 C ATOM 1710 CH2 TRP A 125 2.196 -3.437 -13.142 1.00 0.00 C ATOM 0 H TRP A 125 5.536 -9.950 -10.892 1.00 0.00 H new ATOM 0 HA TRP A 125 6.112 -7.538 -9.474 1.00 0.00 H new ATOM 0 HB2 TRP A 125 6.091 -7.793 -11.954 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.356 -8.032 -11.899 1.00 0.00 H new ATOM 0 HD1 TRP A 125 6.671 -5.290 -10.318 1.00 0.00 H new ATOM 0 HE1 TRP A 125 5.664 -2.965 -10.830 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.630 -6.811 -13.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 3.444 -1.961 -12.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 1.108 -5.102 -13.957 1.00 0.00 H new ATOM 0 HH2 TRP A 125 1.512 -2.708 -13.551 1.00 0.00 H new ATOM 1721 N LEU A 126 4.154 -7.298 -8.009 1.00 0.00 N ATOM 1722 CA LEU A 126 3.028 -7.062 -7.128 1.00 0.00 C ATOM 1723 C LEU A 126 2.492 -5.656 -7.326 1.00 0.00 C ATOM 1724 O LEU A 126 3.252 -4.712 -7.531 1.00 0.00 O ATOM 1725 CB LEU A 126 3.469 -7.277 -5.680 1.00 0.00 C ATOM 1726 CG LEU A 126 2.489 -6.833 -4.596 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.205 -7.627 -4.683 1.00 0.00 C ATOM 1728 CD2 LEU A 126 3.105 -6.999 -3.218 1.00 0.00 C ATOM 0 H LEU A 126 5.051 -6.994 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 126 2.227 -7.763 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.675 -8.338 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.409 -6.747 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 126 2.263 -5.779 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.519 -7.297 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.746 -7.471 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.423 -8.687 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.391 -6.677 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.359 -8.047 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.008 -6.392 -3.147 1.00 0.00 H new ATOM 1740 N LYS A 127 1.185 -5.529 -7.257 1.00 0.00 N ATOM 1741 CA LYS A 127 0.527 -4.258 -7.466 1.00 0.00 C ATOM 1742 C LYS A 127 -0.838 -4.245 -6.797 1.00 0.00 C ATOM 1743 O LYS A 127 -1.570 -5.240 -6.818 1.00 0.00 O ATOM 1744 CB LYS A 127 0.373 -3.962 -8.964 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.531 -4.938 -9.698 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.720 -4.537 -11.151 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.670 -5.480 -11.874 1.00 0.00 C ATOM 1748 NZ LYS A 127 -3.051 -5.416 -11.326 1.00 0.00 N ATOM 0 H LYS A 127 0.550 -6.301 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 127 1.149 -3.483 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.023 -2.954 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.359 -3.975 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.103 -5.939 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.501 -4.981 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.109 -3.520 -11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.246 -4.534 -11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.690 -5.230 -12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.296 -6.501 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.705 -5.897 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.078 -5.884 -10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.337 -4.422 -11.221 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.160 -3.123 -6.196 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.465 -2.892 -5.635 1.00 0.00 C ATOM 1764 C VAL A 128 -2.649 -1.385 -5.428 1.00 0.00 C ATOM 1765 O VAL A 128 -2.994 -0.697 -6.399 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.712 -3.711 -4.340 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.793 -3.312 -3.209 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.166 -3.620 -3.937 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.415 -0.883 -4.336 1.00 0.00 O ATOM 0 H VAL A 128 -0.516 -2.340 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.222 -3.248 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.474 -4.752 -4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.013 -3.919 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.757 -3.470 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.945 -2.259 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.328 -4.198 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.429 -2.578 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.791 -4.018 -4.736 1.00 0.00 H new TER 1779 VAL A 128