USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -2.96! C(o=-2.9!,f=-3.6!) USER MOD Set 1.2: A 96 THR OG1 : rot 161:sc= 0.0618 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 SER OG : rot 141:sc= -2.72! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -2.71! C(o=-5.4!,f=-5.5!) USER MOD Set 3.1: A 33 TYR OH : rot 22:sc= 0.361 USER MOD Set 3.2: A 47 SER OG : rot -98:sc= 0.285 USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.45 F(o=-1.4,f=-0.45) USER MOD Single : A 19 GLN : amide:sc= 0.549 K(o=0.55,f=0) USER MOD Single : A 29 SER OG : rot -120:sc= -0.329 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.04 X(o=-1,f=-0.89) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -3.99! C(o=-5.9!,f=-4!) USER MOD Single : A 45 SER OG : rot -100:sc= -0.453 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 65:sc= 0.861 USER MOD Single : A 56 SER OG : rot 180:sc= 0.113 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 25:sc= 0.604 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.02) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -1.41 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 69:sc= 0.283 USER MOD Single : A 97 TYR OH : rot -121:sc= -2.09 USER MOD Single : A 100 ASN : amide:sc= -4.35 K(o=-4.3,f=-8.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 102:sc= 1.06 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.122 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -160:sc= -0.736 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 125 GLN : amide:sc= -0.0652 K(o=-0.065,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 34.023 -4.654 1.645 1.00 0.00 N ATOM 2 CA ARG A 7 32.967 -4.702 2.650 1.00 0.00 C ATOM 3 C ARG A 7 31.592 -4.567 2.005 1.00 0.00 C ATOM 4 O ARG A 7 31.475 -4.468 0.783 1.00 0.00 O ATOM 5 CB ARG A 7 33.166 -3.589 3.682 1.00 0.00 C ATOM 6 CG ARG A 7 34.605 -3.439 4.147 1.00 0.00 C ATOM 7 CD ARG A 7 35.259 -2.204 3.549 1.00 0.00 C ATOM 8 NE ARG A 7 34.896 -0.988 4.271 1.00 0.00 N ATOM 9 CZ ARG A 7 35.313 0.226 3.924 1.00 0.00 C ATOM 10 NH1 ARG A 7 36.104 0.382 2.871 1.00 0.00 N ATOM 11 NH2 ARG A 7 34.940 1.284 4.630 1.00 0.00 N ATOM 0 HA ARG A 7 33.021 -5.669 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 7 32.831 -2.644 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.533 -3.789 4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 7 34.632 -3.375 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 7 35.174 -4.325 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 7 36.342 -2.324 3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 7 34.963 -2.107 2.504 1.00 0.00 H new ATOM 0 HE ARG A 7 34.289 -1.074 5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 7 36.393 -0.430 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 7 36.423 1.314 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 7 34.332 1.168 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 7 35.261 2.215 4.362 1.00 0.00 H new ATOM 25 N ARG A 8 30.553 -4.560 2.835 1.00 0.00 N ATOM 26 CA ARG A 8 29.186 -4.430 2.349 1.00 0.00 C ATOM 27 C ARG A 8 28.798 -2.962 2.207 1.00 0.00 C ATOM 28 O ARG A 8 29.633 -2.071 2.362 1.00 0.00 O ATOM 29 CB ARG A 8 28.220 -5.144 3.297 1.00 0.00 C ATOM 30 CG ARG A 8 28.735 -6.487 3.789 1.00 0.00 C ATOM 31 CD ARG A 8 27.982 -6.958 5.022 1.00 0.00 C ATOM 32 NE ARG A 8 28.466 -6.313 6.239 1.00 0.00 N ATOM 33 CZ ARG A 8 29.646 -6.575 6.791 1.00 0.00 C ATOM 34 NH1 ARG A 8 30.017 -5.949 7.900 1.00 0.00 N ATOM 35 NH2 ARG A 8 30.456 -7.466 6.236 1.00 0.00 N ATOM 0 H ARG A 8 30.634 -4.643 3.848 1.00 0.00 H new ATOM 0 HA ARG A 8 29.126 -4.895 1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.025 -4.502 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.268 -5.293 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.635 -7.228 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.797 -6.408 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.919 -6.749 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 8 28.085 -8.039 5.119 1.00 0.00 H new ATOM 0 HE ARG A 8 27.865 -5.623 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 8 29.396 -5.264 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 8 30.923 -6.152 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 8 30.174 -7.951 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 8 31.362 -7.666 6.661 1.00 0.00 H new ATOM 49 N CYS A 9 27.529 -2.718 1.900 1.00 0.00 N ATOM 50 CA CYS A 9 27.034 -1.359 1.718 1.00 0.00 C ATOM 51 C CYS A 9 26.637 -0.731 3.050 1.00 0.00 C ATOM 52 O CYS A 9 26.405 -1.433 4.034 1.00 0.00 O ATOM 53 CB CYS A 9 25.838 -1.360 0.770 1.00 0.00 C ATOM 54 SG CYS A 9 26.283 -1.474 -0.993 1.00 0.00 S ATOM 0 H CYS A 9 26.824 -3.444 1.772 1.00 0.00 H new ATOM 0 HA CYS A 9 27.839 -0.763 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.188 -2.197 1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.261 -0.449 0.930 1.00 0.00 H new ATOM 59 N PRO A 10 26.547 0.609 3.095 1.00 0.00 N ATOM 60 CA PRO A 10 26.172 1.336 4.310 1.00 0.00 C ATOM 61 C PRO A 10 24.688 1.198 4.630 1.00 0.00 C ATOM 62 O PRO A 10 23.918 0.659 3.834 1.00 0.00 O ATOM 63 CB PRO A 10 26.517 2.785 3.974 1.00 0.00 C ATOM 64 CG PRO A 10 26.380 2.864 2.495 1.00 0.00 C ATOM 65 CD PRO A 10 26.806 1.522 1.965 1.00 0.00 C ATOM 0 HA PRO A 10 26.688 0.956 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.842 3.480 4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.528 3.037 4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.352 3.087 2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.004 3.660 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.234 1.239 1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.858 1.519 1.679 1.00 0.00 H new ATOM 73 N SER A 11 24.293 1.686 5.800 1.00 0.00 N ATOM 74 CA SER A 11 22.901 1.616 6.225 1.00 0.00 C ATOM 75 C SER A 11 21.972 2.164 5.143 1.00 0.00 C ATOM 76 O SER A 11 21.909 3.375 4.927 1.00 0.00 O ATOM 77 CB SER A 11 22.705 2.404 7.522 1.00 0.00 C ATOM 78 OG SER A 11 21.346 2.761 7.704 1.00 0.00 O ATOM 0 H SER A 11 24.917 2.134 6.471 1.00 0.00 H new ATOM 0 HA SER A 11 22.652 0.569 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.043 1.806 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.320 3.303 7.501 1.00 0.00 H new ATOM 0 HG SER A 11 21.249 3.262 8.541 1.00 0.00 H new ATOM 84 N PRO A 12 21.238 1.282 4.441 1.00 0.00 N ATOM 85 CA PRO A 12 20.311 1.698 3.388 1.00 0.00 C ATOM 86 C PRO A 12 19.427 2.858 3.827 1.00 0.00 C ATOM 87 O PRO A 12 19.116 3.000 5.009 1.00 0.00 O ATOM 88 CB PRO A 12 19.468 0.451 3.142 1.00 0.00 C ATOM 89 CG PRO A 12 20.345 -0.688 3.532 1.00 0.00 C ATOM 90 CD PRO A 12 21.241 -0.180 4.630 1.00 0.00 C ATOM 0 HA PRO A 12 20.835 2.055 2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.555 0.468 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.167 0.378 2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.751 -1.535 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.932 -1.035 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.863 -0.457 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.247 -0.592 4.548 1.00 0.00 H new ATOM 98 N ARG A 13 19.029 3.689 2.871 1.00 0.00 N ATOM 99 CA ARG A 13 18.166 4.821 3.162 1.00 0.00 C ATOM 100 C ARG A 13 16.776 4.343 3.524 1.00 0.00 C ATOM 101 O ARG A 13 16.275 3.365 2.973 1.00 0.00 O ATOM 102 CB ARG A 13 18.099 5.765 1.965 1.00 0.00 C ATOM 103 CG ARG A 13 18.283 7.226 2.332 1.00 0.00 C ATOM 104 CD ARG A 13 16.975 7.835 2.797 1.00 0.00 C ATOM 105 NE ARG A 13 17.111 9.246 3.143 1.00 0.00 N ATOM 106 CZ ARG A 13 16.077 10.050 3.370 1.00 0.00 C ATOM 107 NH1 ARG A 13 16.280 11.323 3.680 1.00 0.00 N ATOM 108 NH2 ARG A 13 14.840 9.580 3.285 1.00 0.00 N ATOM 0 H ARG A 13 19.291 3.598 1.889 1.00 0.00 H new ATOM 0 HA ARG A 13 18.585 5.363 4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.866 5.480 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.136 5.642 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.031 7.316 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.660 7.777 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.227 7.727 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.609 7.285 3.664 1.00 0.00 H new ATOM 0 HE ARG A 13 18.051 9.637 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.231 11.687 3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.485 11.939 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.682 8.601 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.047 10.197 3.459 1.00 0.00 H new ATOM 122 N ASP A 14 16.164 5.043 4.458 1.00 0.00 N ATOM 123 CA ASP A 14 14.868 4.672 4.964 1.00 0.00 C ATOM 124 C ASP A 14 13.740 5.385 4.227 1.00 0.00 C ATOM 125 O ASP A 14 13.972 6.131 3.276 1.00 0.00 O ATOM 126 CB ASP A 14 14.831 4.984 6.457 1.00 0.00 C ATOM 127 CG ASP A 14 14.589 6.453 6.762 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.551 7.244 6.674 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.437 6.809 7.089 1.00 0.00 O ATOM 0 H ASP A 14 16.555 5.883 4.884 1.00 0.00 H new ATOM 0 HA ASP A 14 14.712 3.606 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.046 4.390 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.775 4.678 6.908 1.00 0.00 H new ATOM 134 N ILE A 15 12.520 5.142 4.682 1.00 0.00 N ATOM 135 CA ILE A 15 11.340 5.756 4.088 1.00 0.00 C ATOM 136 C ILE A 15 10.394 6.261 5.173 1.00 0.00 C ATOM 137 O ILE A 15 10.373 5.735 6.285 1.00 0.00 O ATOM 138 CB ILE A 15 10.599 4.771 3.165 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.363 5.431 2.553 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.209 3.516 3.924 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.973 4.848 1.212 1.00 0.00 C ATOM 0 H ILE A 15 12.320 4.520 5.465 1.00 0.00 H new ATOM 0 HA ILE A 15 11.677 6.601 3.487 1.00 0.00 H new ATOM 0 HB ILE A 15 11.274 4.489 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.526 5.328 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.550 6.498 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.687 2.833 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.106 3.031 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.554 3.781 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.089 5.362 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.795 4.975 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.754 3.786 1.327 1.00 0.00 H new ATOM 153 N ASP A 16 9.639 7.306 4.853 1.00 0.00 N ATOM 154 CA ASP A 16 8.730 7.917 5.817 1.00 0.00 C ATOM 155 C ASP A 16 7.475 7.078 6.022 1.00 0.00 C ATOM 156 O ASP A 16 7.269 6.507 7.093 1.00 0.00 O ATOM 157 CB ASP A 16 8.345 9.325 5.360 1.00 0.00 C ATOM 158 CG ASP A 16 9.550 10.152 4.957 1.00 0.00 C ATOM 159 OD1 ASP A 16 9.357 11.221 4.339 1.00 0.00 O ATOM 160 OD2 ASP A 16 10.687 9.732 5.258 1.00 0.00 O ATOM 0 H ASP A 16 9.638 7.748 3.934 1.00 0.00 H new ATOM 0 HA ASP A 16 9.254 7.974 6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.658 9.255 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.812 9.832 6.164 1.00 0.00 H new ATOM 165 N ASN A 17 6.633 7.014 4.998 1.00 0.00 N ATOM 166 CA ASN A 17 5.388 6.258 5.083 1.00 0.00 C ATOM 167 C ASN A 17 5.594 4.817 4.639 1.00 0.00 C ATOM 168 O ASN A 17 4.785 4.264 3.894 1.00 0.00 O ATOM 169 CB ASN A 17 4.299 6.921 4.234 1.00 0.00 C ATOM 170 CG ASN A 17 4.413 8.435 4.213 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.909 9.011 5.305 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 4.074 9.079 3.220 1.00 0.00 N flip ATOM 0 H ASN A 17 6.788 7.475 4.101 1.00 0.00 H new ATOM 0 HA ASN A 17 5.068 6.253 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.358 6.542 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.320 6.640 4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.698 8.597 2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.169 10.095 3.214 1.00 0.00 H new ATOM 179 N GLY A 18 6.676 4.211 5.112 1.00 0.00 N ATOM 180 CA GLY A 18 6.967 2.837 4.753 1.00 0.00 C ATOM 181 C GLY A 18 8.054 2.219 5.611 1.00 0.00 C ATOM 182 O GLY A 18 8.601 2.870 6.501 1.00 0.00 O ATOM 0 H GLY A 18 7.356 4.646 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.058 2.243 4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.270 2.797 3.707 1.00 0.00 H new ATOM 186 N GLN A 19 8.370 0.956 5.338 1.00 0.00 N ATOM 187 CA GLN A 19 9.403 0.241 6.080 1.00 0.00 C ATOM 188 C GLN A 19 10.212 -0.662 5.155 1.00 0.00 C ATOM 189 O GLN A 19 9.652 -1.381 4.327 1.00 0.00 O ATOM 190 CB GLN A 19 8.802 -0.577 7.219 1.00 0.00 C ATOM 191 CG GLN A 19 7.498 -1.216 6.835 1.00 0.00 C ATOM 192 CD GLN A 19 7.553 -2.730 6.857 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.841 -3.379 7.623 1.00 0.00 O ATOM 194 NE2 GLN A 19 8.403 -3.303 6.012 1.00 0.00 N ATOM 0 H GLN A 19 7.923 0.405 4.605 1.00 0.00 H new ATOM 0 HA GLN A 19 10.071 0.987 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.508 -1.351 7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.647 0.068 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.718 -0.876 7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.216 -0.882 5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.975 -2.727 5.394 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.484 -4.319 5.981 1.00 0.00 H new ATOM 203 N LEU A 20 11.531 -0.622 5.304 1.00 0.00 N ATOM 204 CA LEU A 20 12.421 -1.417 4.467 1.00 0.00 C ATOM 205 C LEU A 20 12.503 -2.865 4.938 1.00 0.00 C ATOM 206 O LEU A 20 12.243 -3.171 6.101 1.00 0.00 O ATOM 207 CB LEU A 20 13.819 -0.809 4.472 1.00 0.00 C ATOM 208 CG LEU A 20 14.032 0.321 3.470 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.392 0.950 3.682 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.935 1.365 3.600 1.00 0.00 C ATOM 0 H LEU A 20 12.008 -0.046 5.998 1.00 0.00 H new ATOM 0 HA LEU A 20 12.011 -1.411 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.032 -0.433 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.543 -1.598 4.267 1.00 0.00 H new ATOM 0 HG LEU A 20 13.989 -0.092 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.536 1.756 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.454 1.351 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.167 0.196 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.105 2.163 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.967 0.902 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.946 1.780 4.608 1.00 0.00 H new ATOM 222 N ASP A 21 12.906 -3.743 4.025 1.00 0.00 N ATOM 223 CA ASP A 21 13.085 -5.157 4.334 1.00 0.00 C ATOM 224 C ASP A 21 14.463 -5.619 3.869 1.00 0.00 C ATOM 225 O ASP A 21 14.598 -6.250 2.821 1.00 0.00 O ATOM 226 CB ASP A 21 11.994 -5.997 3.664 1.00 0.00 C ATOM 227 CG ASP A 21 11.308 -6.936 4.637 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.890 -7.212 5.707 1.00 0.00 O ATOM 229 OD2 ASP A 21 10.189 -7.396 4.328 1.00 0.00 O ATOM 0 H ASP A 21 13.116 -3.497 3.058 1.00 0.00 H new ATOM 0 HA ASP A 21 13.008 -5.291 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.252 -5.335 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.433 -6.577 2.852 1.00 0.00 H new ATOM 234 N ILE A 22 15.487 -5.263 4.639 1.00 0.00 N ATOM 235 CA ILE A 22 16.864 -5.592 4.288 1.00 0.00 C ATOM 236 C ILE A 22 17.152 -7.081 4.417 1.00 0.00 C ATOM 237 O ILE A 22 17.196 -7.624 5.521 1.00 0.00 O ATOM 238 CB ILE A 22 17.867 -4.819 5.162 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.582 -3.319 5.098 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.292 -5.111 4.718 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.151 -2.549 6.267 1.00 0.00 C ATOM 0 H ILE A 22 15.388 -4.745 5.512 1.00 0.00 H new ATOM 0 HA ILE A 22 16.984 -5.300 3.245 1.00 0.00 H new ATOM 0 HB ILE A 22 17.754 -5.148 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.995 -2.918 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.504 -3.163 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.990 -4.557 5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.490 -6.179 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.419 -4.807 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.912 -1.491 6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.719 -2.924 7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.233 -2.675 6.294 1.00 0.00 H new ATOM 253 N GLY A 23 17.391 -7.725 3.281 1.00 0.00 N ATOM 254 CA GLY A 23 17.748 -9.129 3.282 1.00 0.00 C ATOM 255 C GLY A 23 19.208 -9.337 2.922 1.00 0.00 C ATOM 256 O GLY A 23 19.612 -10.436 2.541 1.00 0.00 O ATOM 0 H GLY A 23 17.343 -7.297 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.552 -9.554 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.118 -9.665 2.572 1.00 0.00 H new ATOM 260 N GLY A 24 19.999 -8.270 3.037 1.00 0.00 N ATOM 261 CA GLY A 24 21.409 -8.341 2.704 1.00 0.00 C ATOM 262 C GLY A 24 21.942 -7.005 2.231 1.00 0.00 C ATOM 263 O GLY A 24 21.282 -6.308 1.462 1.00 0.00 O ATOM 0 H GLY A 24 19.683 -7.354 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 24 21.973 -8.669 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.562 -9.089 1.926 1.00 0.00 H new ATOM 267 N VAL A 25 23.127 -6.634 2.703 1.00 0.00 N ATOM 268 CA VAL A 25 23.726 -5.356 2.333 1.00 0.00 C ATOM 269 C VAL A 25 25.050 -5.535 1.592 1.00 0.00 C ATOM 270 O VAL A 25 25.786 -4.569 1.388 1.00 0.00 O ATOM 271 CB VAL A 25 23.962 -4.471 3.571 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.636 -4.027 4.169 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.801 -5.207 4.604 1.00 0.00 C ATOM 0 H VAL A 25 23.690 -7.197 3.340 1.00 0.00 H new ATOM 0 HA VAL A 25 23.016 -4.868 1.666 1.00 0.00 H new ATOM 0 HB VAL A 25 24.511 -3.582 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.822 -3.403 5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.075 -3.457 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.059 -4.903 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.957 -4.565 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.283 -6.115 4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.765 -5.469 4.169 1.00 0.00 H new ATOM 283 N ASP A 26 25.342 -6.762 1.171 1.00 0.00 N ATOM 284 CA ASP A 26 26.573 -7.041 0.443 1.00 0.00 C ATOM 285 C ASP A 26 26.530 -6.425 -0.950 1.00 0.00 C ATOM 286 O ASP A 26 25.456 -6.158 -1.488 1.00 0.00 O ATOM 287 CB ASP A 26 26.794 -8.550 0.338 1.00 0.00 C ATOM 288 CG ASP A 26 26.855 -9.220 1.696 1.00 0.00 C ATOM 289 OD1 ASP A 26 27.963 -9.618 2.113 1.00 0.00 O ATOM 290 OD2 ASP A 26 25.795 -9.343 2.345 1.00 0.00 O ATOM 0 H ASP A 26 24.745 -7.575 1.321 1.00 0.00 H new ATOM 0 HA ASP A 26 27.402 -6.596 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 26 25.988 -8.993 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.722 -8.742 -0.201 1.00 0.00 H new ATOM 295 N PHE A 27 27.704 -6.198 -1.529 1.00 0.00 N ATOM 296 CA PHE A 27 27.794 -5.617 -2.863 1.00 0.00 C ATOM 297 C PHE A 27 27.000 -6.446 -3.864 1.00 0.00 C ATOM 298 O PHE A 27 27.520 -7.394 -4.453 1.00 0.00 O ATOM 299 CB PHE A 27 29.253 -5.519 -3.308 1.00 0.00 C ATOM 300 CG PHE A 27 29.422 -4.978 -4.700 1.00 0.00 C ATOM 301 CD1 PHE A 27 30.458 -5.421 -5.507 1.00 0.00 C ATOM 302 CD2 PHE A 27 28.544 -4.028 -5.201 1.00 0.00 C ATOM 303 CE1 PHE A 27 30.617 -4.927 -6.787 1.00 0.00 C ATOM 304 CE2 PHE A 27 28.699 -3.530 -6.483 1.00 0.00 C ATOM 305 CZ PHE A 27 29.737 -3.981 -7.276 1.00 0.00 C ATOM 0 H PHE A 27 28.604 -6.407 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 27 27.370 -4.614 -2.825 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.795 -4.880 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.708 -6.508 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 27 31.149 -6.161 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 27 27.731 -3.673 -4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 27 31.429 -5.280 -7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 27 28.010 -2.790 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 27 29.860 -3.594 -8.277 1.00 0.00 H new ATOM 315 N GLY A 28 25.735 -6.088 -4.043 1.00 0.00 N ATOM 316 CA GLY A 28 24.881 -6.814 -4.962 1.00 0.00 C ATOM 317 C GLY A 28 23.583 -7.270 -4.319 1.00 0.00 C ATOM 318 O GLY A 28 22.672 -7.725 -5.010 1.00 0.00 O ATOM 0 H GLY A 28 25.285 -5.306 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.654 -6.180 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.418 -7.683 -5.342 1.00 0.00 H new ATOM 322 N SER A 29 23.495 -7.153 -2.994 1.00 0.00 N ATOM 323 CA SER A 29 22.292 -7.559 -2.275 1.00 0.00 C ATOM 324 C SER A 29 21.076 -6.788 -2.778 1.00 0.00 C ATOM 325 O SER A 29 21.168 -6.026 -3.739 1.00 0.00 O ATOM 326 CB SER A 29 22.468 -7.333 -0.772 1.00 0.00 C ATOM 327 OG SER A 29 23.545 -8.100 -0.262 1.00 0.00 O ATOM 0 H SER A 29 24.238 -6.783 -2.402 1.00 0.00 H new ATOM 0 HA SER A 29 22.130 -8.621 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.648 -6.275 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.549 -7.600 -0.251 1.00 0.00 H new ATOM 0 HG SER A 29 23.213 -8.711 0.429 1.00 0.00 H new ATOM 333 N SER A 30 19.938 -6.989 -2.122 1.00 0.00 N ATOM 334 CA SER A 30 18.709 -6.304 -2.506 1.00 0.00 C ATOM 335 C SER A 30 17.784 -6.116 -1.308 1.00 0.00 C ATOM 336 O SER A 30 17.647 -7.006 -0.469 1.00 0.00 O ATOM 337 CB SER A 30 17.983 -7.085 -3.604 1.00 0.00 C ATOM 338 OG SER A 30 17.828 -8.448 -3.246 1.00 0.00 O ATOM 0 H SER A 30 19.841 -7.618 -1.325 1.00 0.00 H new ATOM 0 HA SER A 30 18.983 -5.320 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.004 -6.640 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.543 -7.012 -4.536 1.00 0.00 H new ATOM 0 HG SER A 30 17.360 -8.924 -3.964 1.00 0.00 H new ATOM 344 N ILE A 31 17.147 -4.952 -1.242 1.00 0.00 N ATOM 345 CA ILE A 31 16.225 -4.639 -0.154 1.00 0.00 C ATOM 346 C ILE A 31 14.784 -4.652 -0.653 1.00 0.00 C ATOM 347 O ILE A 31 14.537 -4.646 -1.859 1.00 0.00 O ATOM 348 CB ILE A 31 16.509 -3.258 0.491 1.00 0.00 C ATOM 349 CG1 ILE A 31 17.905 -2.742 0.132 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.363 -3.345 2.000 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.215 -1.382 0.718 1.00 0.00 C ATOM 0 H ILE A 31 17.252 -4.207 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 31 16.375 -5.409 0.603 1.00 0.00 H new ATOM 0 HB ILE A 31 15.779 -2.553 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.649 -3.458 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 31 17.997 -2.691 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.565 -2.369 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.348 -3.654 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.071 -4.075 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.220 -1.079 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.493 -0.654 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.156 -1.432 1.805 1.00 0.00 H new ATOM 363 N THR A 32 13.837 -4.657 0.279 1.00 0.00 N ATOM 364 CA THR A 32 12.423 -4.659 -0.072 1.00 0.00 C ATOM 365 C THR A 32 11.677 -3.558 0.672 1.00 0.00 C ATOM 366 O THR A 32 11.475 -3.642 1.884 1.00 0.00 O ATOM 367 CB THR A 32 11.798 -6.019 0.243 1.00 0.00 C ATOM 368 OG1 THR A 32 12.767 -7.049 0.148 1.00 0.00 O ATOM 369 CG2 THR A 32 10.651 -6.380 -0.675 1.00 0.00 C ATOM 0 H THR A 32 14.023 -4.660 1.282 1.00 0.00 H new ATOM 0 HA THR A 32 12.340 -4.470 -1.142 1.00 0.00 H new ATOM 0 HB THR A 32 11.412 -5.931 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.349 -7.911 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.255 -7.356 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.865 -5.630 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.006 -6.414 -1.705 1.00 0.00 H new ATOM 377 N TYR A 33 11.274 -2.522 -0.057 1.00 0.00 N ATOM 378 CA TYR A 33 10.554 -1.405 0.544 1.00 0.00 C ATOM 379 C TYR A 33 9.072 -1.722 0.684 1.00 0.00 C ATOM 380 O TYR A 33 8.507 -2.477 -0.108 1.00 0.00 O ATOM 381 CB TYR A 33 10.742 -0.134 -0.287 1.00 0.00 C ATOM 382 CG TYR A 33 12.044 0.575 -0.007 1.00 0.00 C ATOM 383 CD1 TYR A 33 12.061 1.811 0.623 1.00 0.00 C ATOM 384 CD2 TYR A 33 13.258 -0.001 -0.356 1.00 0.00 C ATOM 385 CE1 TYR A 33 13.252 2.460 0.888 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.453 0.641 -0.094 1.00 0.00 C ATOM 387 CZ TYR A 33 14.445 1.866 0.538 1.00 0.00 C ATOM 388 OH TYR A 33 15.632 2.513 0.791 1.00 0.00 O ATOM 0 H TYR A 33 11.433 -2.433 -1.061 1.00 0.00 H new ATOM 0 HA TYR A 33 10.966 -1.240 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.696 -0.390 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.915 0.548 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.128 2.273 0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.268 -0.966 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.248 3.428 1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.389 0.185 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 33 15.501 3.168 1.508 1.00 0.00 H new ATOM 398 N SER A 34 8.450 -1.146 1.705 1.00 0.00 N ATOM 399 CA SER A 34 7.032 -1.363 1.958 1.00 0.00 C ATOM 400 C SER A 34 6.416 -0.150 2.643 1.00 0.00 C ATOM 401 O SER A 34 7.130 0.710 3.152 1.00 0.00 O ATOM 402 CB SER A 34 6.831 -2.609 2.824 1.00 0.00 C ATOM 403 OG SER A 34 5.658 -3.310 2.447 1.00 0.00 O ATOM 0 H SER A 34 8.907 -0.524 2.372 1.00 0.00 H new ATOM 0 HA SER A 34 6.534 -1.512 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.696 -3.265 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.764 -2.320 3.873 1.00 0.00 H new ATOM 0 HG SER A 34 5.554 -4.102 3.014 1.00 0.00 H new ATOM 409 N CYS A 35 5.089 -0.085 2.648 1.00 0.00 N ATOM 410 CA CYS A 35 4.381 1.026 3.270 1.00 0.00 C ATOM 411 C CYS A 35 4.146 0.758 4.753 1.00 0.00 C ATOM 412 O CYS A 35 4.220 -0.383 5.207 1.00 0.00 O ATOM 413 CB CYS A 35 3.045 1.258 2.565 1.00 0.00 C ATOM 414 SG CYS A 35 3.143 2.369 1.126 1.00 0.00 S ATOM 0 H CYS A 35 4.482 -0.789 2.228 1.00 0.00 H new ATOM 0 HA CYS A 35 4.997 1.920 3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.646 0.297 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.336 1.672 3.282 1.00 0.00 H new ATOM 419 N ASN A 36 3.863 1.818 5.504 1.00 0.00 N ATOM 420 CA ASN A 36 3.624 1.696 6.938 1.00 0.00 C ATOM 421 C ASN A 36 2.473 0.734 7.223 1.00 0.00 C ATOM 422 O ASN A 36 2.692 -0.449 7.484 1.00 0.00 O ATOM 423 CB ASN A 36 3.322 3.069 7.544 1.00 0.00 C ATOM 424 CG ASN A 36 4.504 3.636 8.307 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.211 2.910 9.006 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.724 4.939 8.176 1.00 0.00 N ATOM 0 H ASN A 36 3.794 2.770 5.144 1.00 0.00 H new ATOM 0 HA ASN A 36 4.527 1.294 7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.040 3.760 6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.466 2.987 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.505 5.376 8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.112 5.503 7.586 1.00 0.00 H new ATOM 433 N SER A 37 1.248 1.248 7.176 1.00 0.00 N ATOM 434 CA SER A 37 0.065 0.434 7.428 1.00 0.00 C ATOM 435 C SER A 37 -1.149 1.017 6.717 1.00 0.00 C ATOM 436 O SER A 37 -1.375 2.227 6.746 1.00 0.00 O ATOM 437 CB SER A 37 -0.205 0.339 8.930 1.00 0.00 C ATOM 438 OG SER A 37 -0.330 -1.011 9.342 1.00 0.00 O ATOM 0 H SER A 37 1.049 2.226 6.965 1.00 0.00 H new ATOM 0 HA SER A 37 0.250 -0.567 7.038 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.607 0.816 9.479 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.118 0.883 9.174 1.00 0.00 H new ATOM 0 HG SER A 37 -0.501 -1.044 10.306 1.00 0.00 H new ATOM 444 N GLY A 38 -1.928 0.152 6.077 1.00 0.00 N ATOM 445 CA GLY A 38 -3.095 0.611 5.348 1.00 0.00 C ATOM 446 C GLY A 38 -2.722 1.580 4.245 1.00 0.00 C ATOM 447 O GLY A 38 -3.524 2.425 3.848 1.00 0.00 O ATOM 0 H GLY A 38 -1.773 -0.856 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.616 -0.245 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.788 1.094 6.037 1.00 0.00 H new ATOM 451 N TYR A 39 -1.491 1.459 3.759 1.00 0.00 N ATOM 452 CA TYR A 39 -0.986 2.334 2.711 1.00 0.00 C ATOM 453 C TYR A 39 -0.657 1.545 1.449 1.00 0.00 C ATOM 454 O TYR A 39 -0.674 0.314 1.452 1.00 0.00 O ATOM 455 CB TYR A 39 0.269 3.058 3.203 1.00 0.00 C ATOM 456 CG TYR A 39 0.003 4.434 3.768 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.869 5.488 3.507 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.110 4.680 4.561 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.634 6.748 4.019 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.353 5.939 5.078 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.479 6.970 4.804 1.00 0.00 C ATOM 462 OH TYR A 39 -0.717 8.224 5.317 1.00 0.00 O ATOM 0 H TYR A 39 -0.822 0.758 4.078 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.762 3.061 2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.751 2.449 3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.973 3.146 2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.741 5.319 2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.797 3.875 4.777 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.318 7.556 3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.223 6.114 5.693 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.542 8.210 5.846 1.00 0.00 H new ATOM 472 N HIS A 40 -0.343 2.262 0.375 1.00 0.00 N ATOM 473 CA HIS A 40 0.033 1.629 -0.882 1.00 0.00 C ATOM 474 C HIS A 40 1.283 2.284 -1.456 1.00 0.00 C ATOM 475 O HIS A 40 1.311 3.491 -1.697 1.00 0.00 O ATOM 476 CB HIS A 40 -1.118 1.688 -1.895 1.00 0.00 C ATOM 477 CG HIS A 40 -1.327 3.037 -2.511 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.261 4.278 -1.975 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -1.657 3.214 -3.839 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.545 5.171 -2.977 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -1.780 4.505 -4.092 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.342 3.282 0.351 1.00 0.00 H new ATOM 0 HA HIS A 40 0.251 0.580 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.926 0.965 -2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.039 1.381 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.793 2.421 -4.559 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.572 6.245 -2.871 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.016 4.917 -4.995 1.00 0.00 H new ATOM 490 N LEU A 41 2.327 1.486 -1.633 1.00 0.00 N ATOM 491 CA LEU A 41 3.585 1.976 -2.169 1.00 0.00 C ATOM 492 C LEU A 41 3.518 2.048 -3.686 1.00 0.00 C ATOM 493 O LEU A 41 3.063 1.110 -4.342 1.00 0.00 O ATOM 494 CB LEU A 41 4.734 1.066 -1.731 1.00 0.00 C ATOM 495 CG LEU A 41 6.055 1.292 -2.465 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.232 1.039 -1.535 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.135 0.397 -3.690 1.00 0.00 C ATOM 0 H LEU A 41 2.325 0.490 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 41 3.765 2.978 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.901 1.206 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.430 0.029 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 41 6.099 2.331 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.164 1.205 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.178 1.721 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.198 0.010 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.081 0.568 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.072 -0.647 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.309 0.627 -4.363 1.00 0.00 H new ATOM 509 N ILE A 42 3.953 3.170 -4.239 1.00 0.00 N ATOM 510 CA ILE A 42 3.909 3.367 -5.681 1.00 0.00 C ATOM 511 C ILE A 42 5.279 3.154 -6.308 1.00 0.00 C ATOM 512 O ILE A 42 6.309 3.358 -5.665 1.00 0.00 O ATOM 513 CB ILE A 42 3.387 4.768 -6.058 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.390 5.276 -5.013 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.728 4.718 -7.424 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.201 4.360 -4.831 1.00 0.00 C ATOM 0 H ILE A 42 4.339 3.955 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 42 3.214 2.624 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 42 4.231 5.457 -6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.902 5.391 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.037 6.265 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.360 5.710 -7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.456 4.392 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.894 4.016 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.533 4.777 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.667 4.265 -5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.545 3.377 -4.508 1.00 0.00 H new ATOM 528 N GLY A 43 5.282 2.730 -7.567 1.00 0.00 N ATOM 529 CA GLY A 43 6.530 2.473 -8.260 1.00 0.00 C ATOM 530 C GLY A 43 7.200 1.204 -7.774 1.00 0.00 C ATOM 531 O GLY A 43 6.525 0.248 -7.391 1.00 0.00 O ATOM 0 H GLY A 43 4.442 2.560 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.341 2.395 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.205 3.317 -8.116 1.00 0.00 H new ATOM 535 N GLU A 44 8.528 1.192 -7.779 1.00 0.00 N ATOM 536 CA GLU A 44 9.276 0.029 -7.318 1.00 0.00 C ATOM 537 C GLU A 44 9.069 -0.189 -5.827 1.00 0.00 C ATOM 538 O GLU A 44 8.346 0.561 -5.174 1.00 0.00 O ATOM 539 CB GLU A 44 10.770 0.201 -7.594 1.00 0.00 C ATOM 540 CG GLU A 44 11.365 1.438 -6.941 1.00 0.00 C ATOM 541 CD GLU A 44 12.366 1.100 -5.854 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.086 2.016 -5.407 1.00 0.00 O ATOM 543 OE2 GLU A 44 12.426 -0.079 -5.447 1.00 0.00 O ATOM 0 H GLU A 44 9.106 1.970 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 44 8.905 -0.838 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.302 -0.681 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.929 0.255 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.853 2.047 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.563 2.041 -6.516 1.00 0.00 H new ATOM 550 N SER A 45 9.741 -1.199 -5.295 1.00 0.00 N ATOM 551 CA SER A 45 9.665 -1.513 -3.875 1.00 0.00 C ATOM 552 C SER A 45 10.854 -2.367 -3.459 1.00 0.00 C ATOM 553 O SER A 45 10.767 -3.156 -2.518 1.00 0.00 O ATOM 554 CB SER A 45 8.360 -2.245 -3.559 1.00 0.00 C ATOM 555 OG SER A 45 7.808 -1.799 -2.333 1.00 0.00 O ATOM 0 H SER A 45 10.349 -1.819 -5.829 1.00 0.00 H new ATOM 0 HA SER A 45 9.688 -0.579 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.644 -2.082 -4.364 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.544 -3.318 -3.509 1.00 0.00 H new ATOM 0 HG SER A 45 8.031 -2.436 -1.623 1.00 0.00 H new ATOM 561 N LYS A 46 11.965 -2.208 -4.172 1.00 0.00 N ATOM 562 CA LYS A 46 13.166 -2.981 -3.888 1.00 0.00 C ATOM 563 C LYS A 46 14.426 -2.181 -4.197 1.00 0.00 C ATOM 564 O LYS A 46 14.546 -1.577 -5.264 1.00 0.00 O ATOM 565 CB LYS A 46 13.158 -4.271 -4.709 1.00 0.00 C ATOM 566 CG LYS A 46 12.754 -5.500 -3.912 1.00 0.00 C ATOM 567 CD LYS A 46 13.875 -6.525 -3.860 1.00 0.00 C ATOM 568 CE LYS A 46 13.610 -7.688 -4.802 1.00 0.00 C ATOM 569 NZ LYS A 46 14.154 -8.968 -4.271 1.00 0.00 N ATOM 0 H LYS A 46 12.057 -1.553 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 46 13.170 -3.222 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.473 -4.152 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.152 -4.431 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.483 -5.204 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.868 -5.950 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.818 -6.048 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.982 -6.898 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.536 -7.788 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.058 -7.478 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.953 -9.736 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.182 -8.881 -4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.708 -9.182 -3.356 1.00 0.00 H new ATOM 583 N SER A 47 15.367 -2.188 -3.259 1.00 0.00 N ATOM 584 CA SER A 47 16.634 -1.488 -3.438 1.00 0.00 C ATOM 585 C SER A 47 17.745 -2.484 -3.746 1.00 0.00 C ATOM 586 O SER A 47 17.693 -3.632 -3.313 1.00 0.00 O ATOM 587 CB SER A 47 16.983 -0.685 -2.182 1.00 0.00 C ATOM 588 OG SER A 47 16.434 0.620 -2.242 1.00 0.00 O ATOM 0 H SER A 47 15.276 -2.672 -2.366 1.00 0.00 H new ATOM 0 HA SER A 47 16.534 -0.799 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.605 -1.202 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.066 -0.623 -2.076 1.00 0.00 H new ATOM 0 HG SER A 47 17.122 1.251 -2.540 1.00 0.00 H new ATOM 594 N TYR A 48 18.743 -2.048 -4.503 1.00 0.00 N ATOM 595 CA TYR A 48 19.845 -2.926 -4.878 1.00 0.00 C ATOM 596 C TYR A 48 21.189 -2.341 -4.468 1.00 0.00 C ATOM 597 O TYR A 48 21.524 -1.210 -4.822 1.00 0.00 O ATOM 598 CB TYR A 48 19.820 -3.184 -6.384 1.00 0.00 C ATOM 599 CG TYR A 48 18.423 -3.351 -6.930 1.00 0.00 C ATOM 600 CD1 TYR A 48 17.945 -2.529 -7.942 1.00 0.00 C ATOM 601 CD2 TYR A 48 17.570 -4.312 -6.406 1.00 0.00 C ATOM 602 CE1 TYR A 48 16.661 -2.673 -8.430 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.285 -4.463 -6.888 1.00 0.00 C ATOM 604 CZ TYR A 48 15.835 -3.642 -7.900 1.00 0.00 C ATOM 605 OH TYR A 48 14.555 -3.790 -8.383 1.00 0.00 O ATOM 0 H TYR A 48 18.813 -1.098 -4.868 1.00 0.00 H new ATOM 0 HA TYR A 48 19.717 -3.870 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.308 -2.356 -6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.400 -4.081 -6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.588 -1.765 -8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.917 -4.952 -5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.306 -2.030 -9.222 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.636 -5.220 -6.474 1.00 0.00 H new ATOM 0 HH TYR A 48 14.106 -4.517 -7.903 1.00 0.00 H new ATOM 615 N CYS A 49 21.957 -3.125 -3.719 1.00 0.00 N ATOM 616 CA CYS A 49 23.276 -2.703 -3.270 1.00 0.00 C ATOM 617 C CYS A 49 24.267 -2.756 -4.419 1.00 0.00 C ATOM 618 O CYS A 49 24.954 -3.757 -4.622 1.00 0.00 O ATOM 619 CB CYS A 49 23.758 -3.585 -2.121 1.00 0.00 C ATOM 620 SG CYS A 49 25.484 -3.287 -1.622 1.00 0.00 S ATOM 0 H CYS A 49 21.686 -4.059 -3.410 1.00 0.00 H new ATOM 0 HA CYS A 49 23.205 -1.675 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.110 -3.425 -1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.651 -4.630 -2.411 1.00 0.00 H new ATOM 625 N GLU A 50 24.318 -1.677 -5.177 1.00 0.00 N ATOM 626 CA GLU A 50 25.209 -1.591 -6.324 1.00 0.00 C ATOM 627 C GLU A 50 26.401 -0.694 -6.006 1.00 0.00 C ATOM 628 O GLU A 50 26.486 -0.111 -4.927 1.00 0.00 O ATOM 629 CB GLU A 50 24.413 -1.103 -7.557 1.00 0.00 C ATOM 630 CG GLU A 50 25.116 -0.107 -8.479 1.00 0.00 C ATOM 631 CD GLU A 50 24.151 0.631 -9.385 1.00 0.00 C ATOM 632 OE1 GLU A 50 22.953 0.280 -9.388 1.00 0.00 O ATOM 633 OE2 GLU A 50 24.593 1.562 -10.091 1.00 0.00 O ATOM 0 H GLU A 50 23.751 -0.843 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 50 25.612 -2.576 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.134 -1.975 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.488 -0.646 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.666 0.615 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.848 -0.636 -9.089 1.00 0.00 H new ATOM 640 N LEU A 51 27.327 -0.618 -6.945 1.00 0.00 N ATOM 641 CA LEU A 51 28.522 0.197 -6.784 1.00 0.00 C ATOM 642 C LEU A 51 28.284 1.618 -7.283 1.00 0.00 C ATOM 643 O LEU A 51 27.435 1.850 -8.144 1.00 0.00 O ATOM 644 CB LEU A 51 29.694 -0.430 -7.536 1.00 0.00 C ATOM 645 CG LEU A 51 29.583 -0.353 -9.056 1.00 0.00 C ATOM 646 CD1 LEU A 51 29.171 -1.699 -9.631 1.00 0.00 C ATOM 647 CD2 LEU A 51 30.895 0.113 -9.667 1.00 0.00 C ATOM 0 H LEU A 51 27.275 -1.114 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 51 28.762 0.241 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.615 0.064 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.780 -1.476 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 51 28.813 0.376 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 51 29.097 -1.624 -10.716 1.00 0.00 H new ATOM 0 HD12 LEU A 51 29.916 -2.450 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.204 -1.989 -9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 51 30.795 0.161 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.145 1.101 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.687 -0.589 -9.407 1.00 0.00 H new ATOM 659 N GLY A 52 29.039 2.566 -6.738 1.00 0.00 N ATOM 660 CA GLY A 52 28.894 3.953 -7.140 1.00 0.00 C ATOM 661 C GLY A 52 29.651 4.271 -8.414 1.00 0.00 C ATOM 662 O GLY A 52 29.689 3.462 -9.341 1.00 0.00 O ATOM 0 H GLY A 52 29.749 2.399 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.837 4.178 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.251 4.599 -6.338 1.00 0.00 H new ATOM 666 N SER A 53 30.256 5.454 -8.460 1.00 0.00 N ATOM 667 CA SER A 53 31.013 5.882 -9.630 1.00 0.00 C ATOM 668 C SER A 53 32.509 5.671 -9.421 1.00 0.00 C ATOM 669 O SER A 53 33.235 5.333 -10.356 1.00 0.00 O ATOM 670 CB SER A 53 30.734 7.356 -9.929 1.00 0.00 C ATOM 671 OG SER A 53 29.471 7.521 -10.549 1.00 0.00 O ATOM 0 H SER A 53 30.236 6.133 -7.699 1.00 0.00 H new ATOM 0 HA SER A 53 30.695 5.276 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 53 30.766 7.930 -9.003 1.00 0.00 H new ATOM 0 HB3 SER A 53 31.515 7.753 -10.577 1.00 0.00 H new ATOM 0 HG SER A 53 29.316 8.472 -10.728 1.00 0.00 H new ATOM 677 N THR A 54 32.965 5.875 -8.189 1.00 0.00 N ATOM 678 CA THR A 54 34.375 5.707 -7.859 1.00 0.00 C ATOM 679 C THR A 54 34.646 4.305 -7.325 1.00 0.00 C ATOM 680 O THR A 54 35.452 4.122 -6.413 1.00 0.00 O ATOM 681 CB THR A 54 34.804 6.750 -6.825 1.00 0.00 C ATOM 682 OG1 THR A 54 34.481 6.318 -5.515 1.00 0.00 O ATOM 683 CG2 THR A 54 34.158 8.102 -7.036 1.00 0.00 C ATOM 0 H THR A 54 32.378 6.157 -7.403 1.00 0.00 H new ATOM 0 HA THR A 54 34.955 5.847 -8.771 1.00 0.00 H new ATOM 0 HB THR A 54 35.881 6.857 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 54 35.007 5.521 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 54 34.505 8.795 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 54 34.428 8.485 -8.020 1.00 0.00 H new ATOM 0 HG23 THR A 54 33.075 8.002 -6.971 1.00 0.00 H new ATOM 691 N GLY A 55 33.966 3.319 -7.900 1.00 0.00 N ATOM 692 CA GLY A 55 34.142 1.946 -7.466 1.00 0.00 C ATOM 693 C GLY A 55 33.714 1.737 -6.027 1.00 0.00 C ATOM 694 O GLY A 55 34.205 0.833 -5.351 1.00 0.00 O ATOM 0 H GLY A 55 33.296 3.446 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 55 33.565 1.286 -8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.189 1.664 -7.576 1.00 0.00 H new ATOM 698 N SER A 56 32.797 2.576 -5.557 1.00 0.00 N ATOM 699 CA SER A 56 32.303 2.481 -4.189 1.00 0.00 C ATOM 700 C SER A 56 31.062 1.600 -4.116 1.00 0.00 C ATOM 701 O SER A 56 30.725 0.903 -5.072 1.00 0.00 O ATOM 702 CB SER A 56 31.978 3.873 -3.644 1.00 0.00 C ATOM 703 OG SER A 56 32.082 3.905 -2.232 1.00 0.00 O ATOM 0 H SER A 56 32.381 3.330 -6.104 1.00 0.00 H new ATOM 0 HA SER A 56 33.086 2.029 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.659 4.605 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.970 4.158 -3.944 1.00 0.00 H new ATOM 0 HG SER A 56 31.871 4.806 -1.909 1.00 0.00 H new ATOM 709 N MET A 57 30.383 1.643 -2.975 1.00 0.00 N ATOM 710 CA MET A 57 29.170 0.862 -2.774 1.00 0.00 C ATOM 711 C MET A 57 28.003 1.777 -2.420 1.00 0.00 C ATOM 712 O MET A 57 28.110 2.620 -1.529 1.00 0.00 O ATOM 713 CB MET A 57 29.370 -0.179 -1.667 1.00 0.00 C ATOM 714 CG MET A 57 30.790 -0.716 -1.572 1.00 0.00 C ATOM 715 SD MET A 57 31.109 -2.046 -2.747 1.00 0.00 S ATOM 716 CE MET A 57 32.855 -2.330 -2.471 1.00 0.00 C ATOM 0 H MET A 57 30.654 2.213 -2.173 1.00 0.00 H new ATOM 0 HA MET A 57 28.945 0.341 -3.705 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.096 0.266 -0.710 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.688 -1.012 -1.838 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.494 0.097 -1.749 1.00 0.00 H new ATOM 0 HG3 MET A 57 30.970 -1.079 -0.560 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.202 -3.128 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.410 -1.417 -2.685 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.017 -2.618 -1.432 1.00 0.00 H new ATOM 726 N VAL A 58 26.897 1.616 -3.133 1.00 0.00 N ATOM 727 CA VAL A 58 25.716 2.439 -2.910 1.00 0.00 C ATOM 728 C VAL A 58 24.440 1.611 -3.022 1.00 0.00 C ATOM 729 O VAL A 58 24.492 0.397 -3.218 1.00 0.00 O ATOM 730 CB VAL A 58 25.652 3.602 -3.915 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.548 4.747 -3.465 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.044 3.121 -5.300 1.00 0.00 C ATOM 0 H VAL A 58 26.793 0.921 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 58 25.793 2.843 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 58 24.627 3.972 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.490 5.560 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.219 5.105 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.578 4.397 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.995 3.954 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.060 2.728 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.359 2.336 -5.620 1.00 0.00 H new ATOM 742 N TRP A 59 23.296 2.275 -2.901 1.00 0.00 N ATOM 743 CA TRP A 59 22.010 1.595 -2.973 1.00 0.00 C ATOM 744 C TRP A 59 21.133 2.184 -4.073 1.00 0.00 C ATOM 745 O TRP A 59 20.867 3.386 -4.091 1.00 0.00 O ATOM 746 CB TRP A 59 21.294 1.695 -1.627 1.00 0.00 C ATOM 747 CG TRP A 59 21.879 0.804 -0.575 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.783 1.151 0.387 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.594 -0.583 -0.378 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.077 0.062 1.173 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.362 -1.016 0.720 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.766 -1.503 -1.025 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.320 -2.328 1.183 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.731 -2.803 -0.568 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.497 -3.204 0.528 1.00 0.00 C ATOM 0 H TRP A 59 23.234 3.282 -2.753 1.00 0.00 H new ATOM 0 HA TRP A 59 22.193 0.547 -3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.331 2.728 -1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.243 1.442 -1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.206 2.137 0.512 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.721 0.057 1.964 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.163 -1.201 -1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 22.915 -2.643 2.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.100 -3.524 -1.067 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.439 -4.228 0.867 1.00 0.00 H new ATOM 766 N ASN A 60 20.675 1.329 -4.984 1.00 0.00 N ATOM 767 CA ASN A 60 19.824 1.768 -6.084 1.00 0.00 C ATOM 768 C ASN A 60 18.817 0.678 -6.464 1.00 0.00 C ATOM 769 O ASN A 60 19.209 -0.458 -6.727 1.00 0.00 O ATOM 770 CB ASN A 60 20.680 2.124 -7.300 1.00 0.00 C ATOM 771 CG ASN A 60 21.108 3.578 -7.302 1.00 0.00 C ATOM 772 OD1 ASN A 60 20.377 4.453 -7.767 1.00 0.00 O ATOM 773 ND2 ASN A 60 22.300 3.844 -6.780 1.00 0.00 N ATOM 0 H ASN A 60 20.879 0.330 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 60 19.274 2.650 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.565 1.488 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.119 1.912 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.642 4.804 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.873 3.088 -6.406 1.00 0.00 H new ATOM 780 N PRO A 61 17.505 0.997 -6.510 1.00 0.00 N ATOM 781 CA PRO A 61 16.976 2.334 -6.209 1.00 0.00 C ATOM 782 C PRO A 61 16.957 2.623 -4.710 1.00 0.00 C ATOM 783 O PRO A 61 17.614 1.934 -3.930 1.00 0.00 O ATOM 784 CB PRO A 61 15.557 2.279 -6.770 1.00 0.00 C ATOM 785 CG PRO A 61 15.169 0.847 -6.651 1.00 0.00 C ATOM 786 CD PRO A 61 16.429 0.052 -6.867 1.00 0.00 C ATOM 0 HA PRO A 61 17.586 3.128 -6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.881 2.922 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.526 2.615 -7.807 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.741 0.640 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.412 0.586 -7.391 1.00 0.00 H new ATOM 0 HD2 PRO A 61 16.453 -0.838 -6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 61 16.518 -0.284 -7.900 1.00 0.00 H new ATOM 794 N GLU A 62 16.202 3.643 -4.308 1.00 0.00 N ATOM 795 CA GLU A 62 16.140 4.035 -2.909 1.00 0.00 C ATOM 796 C GLU A 62 14.770 3.713 -2.281 1.00 0.00 C ATOM 797 O GLU A 62 14.473 2.550 -2.017 1.00 0.00 O ATOM 798 CB GLU A 62 16.483 5.517 -2.775 1.00 0.00 C ATOM 799 CG GLU A 62 17.891 5.861 -3.225 1.00 0.00 C ATOM 800 CD GLU A 62 18.929 5.602 -2.151 1.00 0.00 C ATOM 801 OE1 GLU A 62 19.922 4.903 -2.441 1.00 0.00 O ATOM 802 OE2 GLU A 62 18.748 6.098 -1.019 1.00 0.00 O ATOM 0 H GLU A 62 15.627 4.209 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 62 16.877 3.452 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.772 6.100 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.360 5.816 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.138 5.276 -4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.929 6.911 -3.515 1.00 0.00 H new ATOM 809 N ALA A 63 13.953 4.740 -2.012 1.00 0.00 N ATOM 810 CA ALA A 63 12.664 4.563 -1.384 1.00 0.00 C ATOM 811 C ALA A 63 11.554 5.119 -2.266 1.00 0.00 C ATOM 812 O ALA A 63 11.341 6.331 -2.304 1.00 0.00 O ATOM 813 CB ALA A 63 12.645 5.267 -0.038 1.00 0.00 C ATOM 0 H ALA A 63 14.179 5.711 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 63 12.495 3.496 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.670 5.130 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.419 4.846 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.832 6.331 -0.181 1.00 0.00 H new ATOM 819 N PRO A 64 10.851 4.250 -3.004 1.00 0.00 N ATOM 820 CA PRO A 64 9.718 4.647 -3.862 1.00 0.00 C ATOM 821 C PRO A 64 8.688 5.505 -3.129 1.00 0.00 C ATOM 822 O PRO A 64 8.981 6.119 -2.104 1.00 0.00 O ATOM 823 CB PRO A 64 9.097 3.296 -4.241 1.00 0.00 C ATOM 824 CG PRO A 64 9.620 2.374 -3.208 1.00 0.00 C ATOM 825 CD PRO A 64 11.024 2.792 -3.021 1.00 0.00 C ATOM 0 HA PRO A 64 10.040 5.257 -4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.008 3.337 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.392 2.985 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.054 2.455 -2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.554 1.335 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.453 2.412 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.671 2.458 -3.832 1.00 0.00 H new ATOM 833 N ILE A 65 7.468 5.524 -3.651 1.00 0.00 N ATOM 834 CA ILE A 65 6.396 6.319 -3.058 1.00 0.00 C ATOM 835 C ILE A 65 5.573 5.499 -2.069 1.00 0.00 C ATOM 836 O ILE A 65 5.775 4.295 -1.920 1.00 0.00 O ATOM 837 CB ILE A 65 5.443 6.900 -4.122 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.142 7.069 -5.470 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.884 8.234 -3.654 1.00 0.00 C ATOM 840 CD1 ILE A 65 5.265 7.734 -6.503 1.00 0.00 C ATOM 0 H ILE A 65 7.195 5.000 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 65 6.889 7.140 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 65 4.624 6.193 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.047 7.660 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.453 6.091 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.213 8.634 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.335 8.092 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.703 8.934 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.814 7.828 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.372 7.131 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.976 8.724 -6.151 1.00 0.00 H new ATOM 852 N CYS A 66 4.639 6.169 -1.401 1.00 0.00 N ATOM 853 CA CYS A 66 3.774 5.522 -0.422 1.00 0.00 C ATOM 854 C CYS A 66 2.652 6.461 0.010 1.00 0.00 C ATOM 855 O CYS A 66 2.894 7.626 0.325 1.00 0.00 O ATOM 856 CB CYS A 66 4.586 5.094 0.799 1.00 0.00 C ATOM 857 SG CYS A 66 4.877 3.299 0.910 1.00 0.00 S ATOM 0 H CYS A 66 4.462 7.166 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 66 3.333 4.640 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.548 5.606 0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.068 5.423 1.700 1.00 0.00 H new ATOM 862 N GLU A 67 1.428 5.946 0.036 1.00 0.00 N ATOM 863 CA GLU A 67 0.275 6.743 0.430 1.00 0.00 C ATOM 864 C GLU A 67 -0.801 5.866 1.065 1.00 0.00 C ATOM 865 O GLU A 67 -0.635 4.653 1.184 1.00 0.00 O ATOM 866 CB GLU A 67 -0.295 7.473 -0.786 1.00 0.00 C ATOM 867 CG GLU A 67 -0.256 8.988 -0.661 1.00 0.00 C ATOM 868 CD GLU A 67 -0.808 9.479 0.663 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.021 9.598 1.626 1.00 0.00 O ATOM 870 OE2 GLU A 67 -2.026 9.744 0.736 1.00 0.00 O ATOM 0 H GLU A 67 1.210 4.981 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 67 0.600 7.475 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.265 7.176 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.327 7.156 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.773 9.331 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.829 9.431 -1.476 1.00 0.00 H new ATOM 877 N SER A 68 -1.901 6.489 1.473 1.00 0.00 N ATOM 878 CA SER A 68 -3.004 5.764 2.093 1.00 0.00 C ATOM 879 C SER A 68 -3.964 5.225 1.039 1.00 0.00 C ATOM 880 O SER A 68 -4.547 5.985 0.265 1.00 0.00 O ATOM 881 CB SER A 68 -3.755 6.673 3.067 1.00 0.00 C ATOM 882 OG SER A 68 -4.490 7.667 2.374 1.00 0.00 O ATOM 0 H SER A 68 -2.053 7.494 1.386 1.00 0.00 H new ATOM 0 HA SER A 68 -2.587 4.920 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.432 6.076 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.047 7.147 3.746 1.00 0.00 H new ATOM 0 HG SER A 68 -4.699 7.349 1.471 1.00 0.00 H new ATOM 888 N VAL A 69 -4.124 3.906 1.018 1.00 0.00 N ATOM 889 CA VAL A 69 -5.012 3.250 0.067 1.00 0.00 C ATOM 890 C VAL A 69 -6.375 3.932 0.021 1.00 0.00 C ATOM 891 O VAL A 69 -7.229 3.699 0.876 1.00 0.00 O ATOM 892 CB VAL A 69 -5.205 1.764 0.412 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.339 1.583 1.914 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.052 0.937 -0.129 1.00 0.00 C ATOM 0 H VAL A 69 -3.646 3.267 1.654 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.538 3.330 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.124 1.415 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.475 0.526 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.437 1.948 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.201 2.146 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.206 -0.112 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.004 1.045 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.117 1.284 0.312 1.00 0.00 H new ATOM 904 N LYS A 70 -6.567 4.771 -0.987 1.00 0.00 N ATOM 905 CA LYS A 70 -7.817 5.505 -1.150 1.00 0.00 C ATOM 906 C LYS A 70 -8.878 4.653 -1.842 1.00 0.00 C ATOM 907 O LYS A 70 -8.727 4.282 -3.006 1.00 0.00 O ATOM 908 CB LYS A 70 -7.572 6.780 -1.957 1.00 0.00 C ATOM 909 CG LYS A 70 -7.252 7.991 -1.098 1.00 0.00 C ATOM 910 CD LYS A 70 -8.429 8.948 -1.026 1.00 0.00 C ATOM 911 CE LYS A 70 -8.423 9.741 0.270 1.00 0.00 C ATOM 912 NZ LYS A 70 -7.570 10.957 0.174 1.00 0.00 N ATOM 0 H LYS A 70 -5.871 4.962 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.185 5.764 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.748 6.609 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.455 6.995 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.984 7.665 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.385 8.509 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.395 9.633 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.360 8.388 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.443 10.032 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.063 9.108 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.593 11.470 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.591 10.678 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.929 11.574 -0.583 1.00 0.00 H new ATOM 926 N CYS A 71 -9.959 4.359 -1.123 1.00 0.00 N ATOM 927 CA CYS A 71 -11.063 3.585 -1.682 1.00 0.00 C ATOM 928 C CYS A 71 -12.162 4.519 -2.155 1.00 0.00 C ATOM 929 O CYS A 71 -12.671 5.334 -1.387 1.00 0.00 O ATOM 930 CB CYS A 71 -11.643 2.586 -0.663 1.00 0.00 C ATOM 931 SG CYS A 71 -10.747 2.462 0.925 1.00 0.00 S ATOM 0 H CYS A 71 -10.093 4.645 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.668 3.015 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.676 2.866 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.667 1.598 -1.124 1.00 0.00 H new ATOM 936 N GLN A 72 -12.512 4.412 -3.425 1.00 0.00 N ATOM 937 CA GLN A 72 -13.550 5.240 -3.995 1.00 0.00 C ATOM 938 C GLN A 72 -14.917 4.767 -3.512 1.00 0.00 C ATOM 939 O GLN A 72 -15.038 4.238 -2.407 1.00 0.00 O ATOM 940 CB GLN A 72 -13.441 5.192 -5.513 1.00 0.00 C ATOM 941 CG GLN A 72 -13.724 3.817 -6.070 1.00 0.00 C ATOM 942 CD GLN A 72 -13.311 3.674 -7.522 1.00 0.00 C ATOM 943 OE1 GLN A 72 -14.154 3.564 -8.412 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.006 3.677 -7.767 1.00 0.00 N ATOM 0 H GLN A 72 -12.088 3.755 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.430 6.274 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.140 5.907 -5.947 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.440 5.503 -5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -13.198 3.073 -5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.789 3.605 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.343 3.771 -6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.667 3.586 -8.725 1.00 0.00 H new ATOM 953 N SER A 73 -15.946 4.971 -4.320 1.00 0.00 N ATOM 954 CA SER A 73 -17.287 4.562 -3.944 1.00 0.00 C ATOM 955 C SER A 73 -17.325 3.070 -3.625 1.00 0.00 C ATOM 956 O SER A 73 -16.616 2.278 -4.246 1.00 0.00 O ATOM 957 CB SER A 73 -18.271 4.880 -5.065 1.00 0.00 C ATOM 958 OG SER A 73 -19.586 5.026 -4.563 1.00 0.00 O ATOM 0 H SER A 73 -15.877 5.415 -5.236 1.00 0.00 H new ATOM 0 HA SER A 73 -17.576 5.116 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.967 5.797 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.249 4.084 -5.809 1.00 0.00 H new ATOM 0 HG SER A 73 -20.035 5.760 -5.032 1.00 0.00 H new ATOM 964 N PRO A 74 -18.149 2.665 -2.646 1.00 0.00 N ATOM 965 CA PRO A 74 -18.276 1.259 -2.254 1.00 0.00 C ATOM 966 C PRO A 74 -18.794 0.394 -3.402 1.00 0.00 C ATOM 967 O PRO A 74 -19.319 0.910 -4.389 1.00 0.00 O ATOM 968 CB PRO A 74 -19.283 1.283 -1.095 1.00 0.00 C ATOM 969 CG PRO A 74 -19.332 2.704 -0.647 1.00 0.00 C ATOM 970 CD PRO A 74 -19.032 3.537 -1.860 1.00 0.00 C ATOM 0 HA PRO A 74 -17.315 0.826 -1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.265 0.939 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.967 0.626 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.312 2.950 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.603 2.889 0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.938 3.794 -2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.543 4.475 -1.596 1.00 0.00 H new ATOM 978 N PRO A 75 -18.636 -0.935 -3.296 1.00 0.00 N ATOM 979 CA PRO A 75 -19.075 -1.868 -4.332 1.00 0.00 C ATOM 980 C PRO A 75 -20.430 -1.498 -4.922 1.00 0.00 C ATOM 981 O PRO A 75 -21.230 -0.810 -4.288 1.00 0.00 O ATOM 982 CB PRO A 75 -19.162 -3.193 -3.583 1.00 0.00 C ATOM 983 CG PRO A 75 -18.120 -3.094 -2.521 1.00 0.00 C ATOM 984 CD PRO A 75 -18.013 -1.634 -2.156 1.00 0.00 C ATOM 0 HA PRO A 75 -18.397 -1.881 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.153 -3.341 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.973 -4.037 -4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.395 -3.691 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.164 -3.475 -2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.532 -1.417 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.975 -1.331 -2.021 1.00 0.00 H new ATOM 992 N SER A 76 -20.679 -1.964 -6.140 1.00 0.00 N ATOM 993 CA SER A 76 -21.942 -1.703 -6.818 1.00 0.00 C ATOM 994 C SER A 76 -22.809 -2.956 -6.831 1.00 0.00 C ATOM 995 O SER A 76 -22.731 -3.767 -7.754 1.00 0.00 O ATOM 996 CB SER A 76 -21.689 -1.228 -8.250 1.00 0.00 C ATOM 997 OG SER A 76 -22.878 -0.732 -8.840 1.00 0.00 O ATOM 0 H SER A 76 -20.021 -2.526 -6.679 1.00 0.00 H new ATOM 0 HA SER A 76 -22.468 -0.919 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.927 -0.448 -8.249 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.300 -2.053 -8.847 1.00 0.00 H new ATOM 0 HG SER A 76 -22.690 -0.433 -9.754 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.632 -3.111 -5.800 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.501 -4.276 -5.686 1.00 0.00 C ATOM 1005 C ILE A 77 -25.604 -4.246 -6.737 1.00 0.00 C ATOM 1006 O ILE A 77 -25.665 -3.335 -7.562 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.138 -4.371 -4.284 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.118 -3.217 -4.049 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.060 -4.375 -3.214 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.095 -3.478 -2.924 1.00 0.00 C ATOM 0 H ILE A 77 -23.716 -2.445 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 77 -23.875 -5.153 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.694 -5.307 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.554 -2.311 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.674 -3.030 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.524 -4.442 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.402 -5.231 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.479 -3.455 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.759 -2.621 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.684 -4.366 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.547 -3.636 -1.995 1.00 0.00 H new ATOM 1022 N SER A 78 -26.474 -5.248 -6.698 1.00 0.00 N ATOM 1023 CA SER A 78 -27.581 -5.335 -7.641 1.00 0.00 C ATOM 1024 C SER A 78 -28.892 -4.936 -6.975 1.00 0.00 C ATOM 1025 O SER A 78 -29.103 -5.197 -5.791 1.00 0.00 O ATOM 1026 CB SER A 78 -27.695 -6.754 -8.200 1.00 0.00 C ATOM 1027 OG SER A 78 -26.492 -7.153 -8.834 1.00 0.00 O ATOM 0 H SER A 78 -26.434 -6.012 -6.023 1.00 0.00 H new ATOM 0 HA SER A 78 -27.381 -4.644 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.931 -7.448 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 78 -28.518 -6.802 -8.913 1.00 0.00 H new ATOM 0 HG SER A 78 -26.592 -8.064 -9.181 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.768 -4.303 -7.744 1.00 0.00 N ATOM 1034 CA ASN A 79 -31.062 -3.878 -7.235 1.00 0.00 C ATOM 1035 C ASN A 79 -30.906 -2.972 -6.020 1.00 0.00 C ATOM 1036 O ASN A 79 -31.774 -2.933 -5.148 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.906 -5.098 -6.870 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.794 -6.208 -7.894 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -32.115 -6.021 -9.068 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -31.342 -7.376 -7.453 1.00 0.00 N ATOM 0 H ASN A 79 -29.604 -4.073 -8.724 1.00 0.00 H new ATOM 0 HA ASN A 79 -31.564 -3.311 -8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.593 -5.474 -5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.950 -4.799 -6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -31.249 -8.163 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.087 -7.487 -6.472 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.800 -2.238 -5.972 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.560 -1.338 -4.859 1.00 0.00 C ATOM 1049 C GLY A 80 -28.428 -0.365 -5.124 1.00 0.00 C ATOM 1050 O GLY A 80 -28.002 -0.193 -6.266 1.00 0.00 O ATOM 0 H GLY A 80 -29.067 -2.250 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.471 -0.779 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.330 -1.922 -3.968 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.950 0.282 -4.066 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.867 1.248 -4.185 1.00 0.00 C ATOM 1056 C ARG A 81 -26.249 1.545 -2.826 1.00 0.00 C ATOM 1057 O ARG A 81 -26.620 0.949 -1.815 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.377 2.544 -4.813 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.787 2.912 -4.393 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.367 3.978 -5.304 1.00 0.00 C ATOM 1061 NE ARG A 81 -29.421 5.285 -4.655 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.267 5.588 -3.675 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.255 6.799 -3.136 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.125 4.678 -3.233 1.00 0.00 N ATOM 0 H ARG A 81 -28.297 0.154 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.101 0.815 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.703 3.357 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.344 2.449 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.420 2.025 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.781 3.272 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.764 4.048 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.371 3.685 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 81 -28.773 6.006 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -29.596 7.501 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -30.905 7.029 -2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.136 3.745 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -31.774 4.911 -2.481 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.312 2.482 -2.813 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.636 2.878 -1.584 1.00 0.00 C ATOM 1080 C HIS A 82 -25.081 4.266 -1.141 1.00 0.00 C ATOM 1081 O HIS A 82 -25.805 4.956 -1.859 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.122 2.873 -1.790 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.678 3.775 -2.898 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.538 3.352 -4.204 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.369 5.093 -2.897 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.150 4.368 -4.954 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.043 5.435 -4.185 1.00 0.00 N ATOM 0 H HIS A 82 -25.001 2.985 -3.644 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.901 2.160 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.634 3.177 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.794 1.856 -2.004 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.708 2.403 -4.538 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.378 5.752 -2.042 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.954 4.332 -6.015 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.626 4.676 0.036 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.955 5.995 0.562 1.00 0.00 C ATOM 1098 C ASN A 83 -23.736 6.913 0.504 1.00 0.00 C ATOM 1099 O ASN A 83 -23.538 7.629 -0.478 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.471 5.887 1.999 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.872 5.311 2.070 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.581 5.247 1.066 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -27.278 4.889 3.262 1.00 0.00 N ATOM 0 H ASN A 83 -24.029 4.115 0.644 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.743 6.424 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.794 5.260 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.464 6.875 2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -28.211 4.493 3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.656 4.961 4.068 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.912 6.873 1.549 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.713 7.691 1.582 1.00 0.00 C ATOM 1112 C GLY A 84 -22.001 9.170 1.412 1.00 0.00 C ATOM 1113 O GLY A 84 -23.050 9.554 0.896 1.00 0.00 O ATOM 0 H GLY A 84 -23.054 6.288 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.198 7.533 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.035 7.365 0.793 1.00 0.00 H new ATOM 1117 N TYR A 85 -21.056 10.004 1.836 1.00 0.00 N ATOM 1118 CA TYR A 85 -21.209 11.448 1.736 1.00 0.00 C ATOM 1119 C TYR A 85 -20.098 12.063 0.893 1.00 0.00 C ATOM 1120 O TYR A 85 -20.318 13.033 0.167 1.00 0.00 O ATOM 1121 CB TYR A 85 -21.210 12.068 3.132 1.00 0.00 C ATOM 1122 CG TYR A 85 -21.942 11.237 4.160 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -23.323 11.319 4.292 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -21.254 10.365 4.994 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -23.996 10.559 5.229 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -21.921 9.602 5.934 1.00 0.00 C ATOM 1127 CZ TYR A 85 -23.291 9.702 6.047 1.00 0.00 C ATOM 1128 OH TYR A 85 -23.958 8.944 6.981 1.00 0.00 O ATOM 0 H TYR A 85 -20.175 9.702 2.253 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.160 11.656 1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -20.180 12.211 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -21.668 13.056 3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -23.879 11.988 3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.181 10.282 4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -25.069 10.636 5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -21.371 8.931 6.577 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.315 8.393 7.474 1.00 0.00 H new ATOM 1138 N GLU A 86 -18.906 11.494 0.999 1.00 0.00 N ATOM 1139 CA GLU A 86 -17.753 11.980 0.256 1.00 0.00 C ATOM 1140 C GLU A 86 -17.622 11.258 -1.080 1.00 0.00 C ATOM 1141 O GLU A 86 -18.494 10.480 -1.466 1.00 0.00 O ATOM 1142 CB GLU A 86 -16.481 11.781 1.082 1.00 0.00 C ATOM 1143 CG GLU A 86 -16.069 13.013 1.871 1.00 0.00 C ATOM 1144 CD GLU A 86 -14.655 13.460 1.558 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -14.378 13.772 0.381 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -13.824 13.497 2.489 1.00 0.00 O ATOM 0 H GLU A 86 -18.712 10.690 1.596 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.895 13.043 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.632 10.951 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.666 11.497 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.760 13.827 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.152 12.802 2.937 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.523 11.520 -1.778 1.00 0.00 N ATOM 1154 CA ASP A 87 -16.267 10.890 -3.067 1.00 0.00 C ATOM 1155 C ASP A 87 -15.260 9.755 -2.927 1.00 0.00 C ATOM 1156 O ASP A 87 -15.237 8.827 -3.736 1.00 0.00 O ATOM 1157 CB ASP A 87 -15.754 11.921 -4.072 1.00 0.00 C ATOM 1158 CG ASP A 87 -16.782 12.253 -5.136 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -17.025 11.399 -6.014 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -17.344 13.367 -5.090 1.00 0.00 O ATOM 0 H ASP A 87 -15.794 12.165 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.207 10.476 -3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.475 12.832 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.851 11.541 -4.549 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.429 9.837 -1.895 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.419 8.818 -1.646 1.00 0.00 C ATOM 1167 C PHE A 88 -13.476 8.334 -0.203 1.00 0.00 C ATOM 1168 O PHE A 88 -14.265 8.831 0.600 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.026 9.366 -1.956 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.577 9.095 -3.358 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.928 9.947 -4.391 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -10.802 7.986 -3.639 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -11.513 9.694 -5.683 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -10.383 7.727 -4.927 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.738 8.582 -5.953 1.00 0.00 C ATOM 0 H PHE A 88 -14.435 10.599 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.625 7.972 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.021 10.442 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.309 8.928 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.532 10.818 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.521 7.315 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.794 10.364 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.778 6.857 -5.134 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.411 8.382 -6.963 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.637 7.355 0.117 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.595 6.792 1.460 1.00 0.00 C ATOM 1187 C TYR A 89 -11.205 6.251 1.776 1.00 0.00 C ATOM 1188 O TYR A 89 -10.387 6.052 0.878 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.635 5.678 1.598 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.042 6.122 1.272 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.474 6.213 -0.045 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.938 6.449 2.281 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.760 6.617 -0.348 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -17.227 6.854 1.987 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.632 6.936 0.671 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.912 7.339 0.373 1.00 0.00 O ATOM 0 H TYR A 89 -11.976 6.935 -0.537 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.826 7.585 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.361 4.853 0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.611 5.294 2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.793 5.964 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.623 6.386 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.080 6.683 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.913 7.105 2.783 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.201 6.917 -0.463 1.00 0.00 H new ATOM 1206 N THR A 90 -10.945 6.017 3.057 1.00 0.00 N ATOM 1207 CA THR A 90 -9.649 5.509 3.491 1.00 0.00 C ATOM 1208 C THR A 90 -9.809 4.322 4.434 1.00 0.00 C ATOM 1209 O THR A 90 -10.921 3.856 4.680 1.00 0.00 O ATOM 1210 CB THR A 90 -8.853 6.619 4.180 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.683 7.360 5.058 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.225 7.593 3.209 1.00 0.00 C ATOM 0 H THR A 90 -11.613 6.171 3.812 1.00 0.00 H new ATOM 0 HA THR A 90 -9.107 5.171 2.608 1.00 0.00 H new ATOM 0 HB THR A 90 -8.058 6.111 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.156 8.064 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.675 8.355 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.541 7.059 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.005 8.068 2.615 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.688 3.836 4.956 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.696 2.702 5.867 1.00 0.00 C ATOM 1222 C ASP A 91 -9.391 3.052 7.170 1.00 0.00 C ATOM 1223 O ASP A 91 -8.779 3.584 8.096 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.271 2.232 6.151 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.451 2.072 4.886 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.453 0.961 4.314 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.808 3.057 4.468 1.00 0.00 O ATOM 0 H ASP A 91 -7.760 4.213 4.762 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.248 1.895 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.780 2.948 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.304 1.280 6.682 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.672 2.737 7.231 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.444 2.993 8.428 1.00 0.00 C ATOM 1234 C GLY A 92 -12.707 3.789 8.159 1.00 0.00 C ATOM 1235 O GLY A 92 -13.155 4.556 9.011 1.00 0.00 O ATOM 0 H GLY A 92 -11.195 2.306 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.711 2.043 8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.825 3.534 9.144 1.00 0.00 H new ATOM 1239 N SER A 93 -13.284 3.611 6.974 1.00 0.00 N ATOM 1240 CA SER A 93 -14.509 4.315 6.613 1.00 0.00 C ATOM 1241 C SER A 93 -15.688 3.351 6.544 1.00 0.00 C ATOM 1242 O SER A 93 -15.505 2.143 6.398 1.00 0.00 O ATOM 1243 CB SER A 93 -14.338 5.030 5.271 1.00 0.00 C ATOM 1244 OG SER A 93 -12.969 5.149 4.926 1.00 0.00 O ATOM 0 H SER A 93 -12.924 2.988 6.251 1.00 0.00 H new ATOM 0 HA SER A 93 -14.713 5.057 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.866 4.479 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.790 6.020 5.323 1.00 0.00 H new ATOM 0 HG SER A 93 -12.605 4.262 4.723 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.898 3.890 6.655 1.00 0.00 N ATOM 1251 CA VAL A 94 -18.102 3.072 6.610 1.00 0.00 C ATOM 1252 C VAL A 94 -19.161 3.698 5.706 1.00 0.00 C ATOM 1253 O VAL A 94 -19.244 4.919 5.576 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.687 2.852 8.022 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -17.697 2.092 8.887 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -20.015 2.110 7.958 1.00 0.00 C ATOM 0 H VAL A 94 -17.069 4.888 6.777 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.815 2.104 6.198 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.870 3.829 8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.121 1.943 9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.486 1.124 8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.772 2.663 8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.402 1.970 8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.728 2.690 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.866 1.138 7.488 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.973 2.844 5.092 1.00 0.00 N ATOM 1267 CA VAL A 95 -21.039 3.296 4.204 1.00 0.00 C ATOM 1268 C VAL A 95 -22.259 2.393 4.319 1.00 0.00 C ATOM 1269 O VAL A 95 -22.133 1.193 4.560 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.579 3.324 2.737 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.641 3.946 1.846 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.263 4.070 2.608 1.00 0.00 C ATOM 0 H VAL A 95 -19.913 1.831 5.193 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.300 4.308 4.513 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.426 2.296 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.291 3.954 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.559 3.363 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.835 4.968 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.952 4.081 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.389 5.094 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.502 3.572 3.208 1.00 0.00 H new ATOM 1282 N THR A 96 -23.436 2.975 4.137 1.00 0.00 N ATOM 1283 CA THR A 96 -24.680 2.221 4.224 1.00 0.00 C ATOM 1284 C THR A 96 -25.308 2.041 2.847 1.00 0.00 C ATOM 1285 O THR A 96 -25.490 3.005 2.103 1.00 0.00 O ATOM 1286 CB THR A 96 -25.662 2.923 5.162 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.161 4.188 5.558 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.959 2.132 6.418 1.00 0.00 C ATOM 0 H THR A 96 -23.556 3.966 3.928 1.00 0.00 H new ATOM 0 HA THR A 96 -24.449 1.234 4.626 1.00 0.00 H new ATOM 0 HB THR A 96 -26.584 3.026 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.898 4.742 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.662 2.687 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.394 1.170 6.148 1.00 0.00 H new ATOM 0 HG23 THR A 96 -25.035 1.969 6.973 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.634 0.798 2.516 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.241 0.480 1.230 1.00 0.00 C ATOM 1298 C TYR A 97 -27.759 0.571 1.307 1.00 0.00 C ATOM 1299 O TYR A 97 -28.347 0.425 2.379 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.833 -0.924 0.789 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.502 -0.988 0.075 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.344 -0.512 0.676 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.401 -1.551 -1.189 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.127 -0.579 0.030 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.185 -1.624 -1.842 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.051 -1.137 -1.228 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.839 -1.208 -1.874 1.00 0.00 O ATOM 0 H TYR A 97 -25.488 -0.009 3.123 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.886 1.207 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.794 -1.571 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.605 -1.325 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.397 -0.082 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.287 -1.938 -1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.238 -0.196 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.124 -2.060 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.894 -0.727 -2.726 1.00 0.00 H new ATOM 1317 N SER A 98 -28.390 0.799 0.161 1.00 0.00 N ATOM 1318 CA SER A 98 -29.844 0.898 0.099 1.00 0.00 C ATOM 1319 C SER A 98 -30.370 0.412 -1.247 1.00 0.00 C ATOM 1320 O SER A 98 -29.806 0.727 -2.296 1.00 0.00 O ATOM 1321 CB SER A 98 -30.290 2.341 0.341 1.00 0.00 C ATOM 1322 OG SER A 98 -29.720 3.220 -0.613 1.00 0.00 O ATOM 0 H SER A 98 -27.919 0.919 -0.736 1.00 0.00 H new ATOM 0 HA SER A 98 -30.257 0.260 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 -31.377 2.402 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.999 2.651 1.345 1.00 0.00 H new ATOM 0 HG SER A 98 -30.023 4.135 -0.436 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.463 -0.345 -1.213 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.060 -0.876 -2.432 1.00 0.00 C ATOM 1330 C CYS A 99 -32.694 0.238 -3.263 1.00 0.00 C ATOM 1331 O CYS A 99 -33.027 1.302 -2.741 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.109 -1.934 -2.092 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.455 -3.350 -1.150 1.00 0.00 S ATOM 0 H CYS A 99 -31.952 -0.603 -0.356 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.267 -1.336 -3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.909 -1.467 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.554 -2.300 -3.017 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.857 -0.016 -4.559 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.428 0.971 -5.467 1.00 0.00 C ATOM 1340 C ASN A 100 -34.948 0.841 -5.554 1.00 0.00 C ATOM 1341 O ASN A 100 -35.682 1.696 -5.059 1.00 0.00 O ATOM 1342 CB ASN A 100 -32.814 0.820 -6.861 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.299 0.783 -6.827 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -30.661 1.609 -6.178 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -30.715 -0.178 -7.533 1.00 0.00 N ATOM 0 H ASN A 100 -32.601 -0.898 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.196 1.960 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.186 -0.095 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -33.140 1.649 -7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -29.698 -0.251 -7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -31.284 -0.843 -8.057 1.00 0.00 H new ATOM 1352 N SER A 101 -35.413 -0.220 -6.207 1.00 0.00 N ATOM 1353 CA SER A 101 -36.844 -0.447 -6.382 1.00 0.00 C ATOM 1354 C SER A 101 -37.545 -0.664 -5.044 1.00 0.00 C ATOM 1355 O SER A 101 -38.763 -0.518 -4.942 1.00 0.00 O ATOM 1356 CB SER A 101 -37.079 -1.653 -7.293 1.00 0.00 C ATOM 1357 OG SER A 101 -38.398 -1.653 -7.812 1.00 0.00 O ATOM 0 H SER A 101 -34.819 -0.937 -6.624 1.00 0.00 H new ATOM 0 HA SER A 101 -37.267 0.445 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.362 -1.637 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.905 -2.573 -6.735 1.00 0.00 H new ATOM 0 HG SER A 101 -38.521 -2.433 -8.392 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.774 -1.018 -4.021 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.349 -1.253 -2.709 1.00 0.00 C ATOM 1365 C GLY A 102 -37.116 -2.670 -2.222 1.00 0.00 C ATOM 1366 O GLY A 102 -37.930 -3.221 -1.481 1.00 0.00 O ATOM 0 H GLY A 102 -35.764 -1.146 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.918 -0.551 -1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.420 -1.055 -2.744 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.997 -3.256 -2.634 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.647 -4.609 -2.235 1.00 0.00 C ATOM 1372 C TYR A 103 -35.292 -4.653 -0.753 1.00 0.00 C ATOM 1373 O TYR A 103 -35.486 -3.675 -0.031 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.477 -5.114 -3.084 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.900 -5.648 -4.434 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.012 -4.803 -5.531 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -35.195 -6.994 -4.610 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -35.400 -5.285 -6.766 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -35.583 -7.484 -5.843 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.685 -6.626 -6.917 1.00 0.00 C ATOM 1381 OH TYR A 103 -36.073 -7.109 -8.145 1.00 0.00 O ATOM 0 H TYR A 103 -35.315 -2.810 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.506 -5.259 -2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.766 -4.301 -3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.955 -5.900 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.792 -3.752 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.120 -7.669 -3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -35.480 -4.615 -7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -35.805 -8.534 -5.964 1.00 0.00 H new ATOM 0 HH TYR A 103 -36.235 -8.073 -8.081 1.00 0.00 H new ATOM 1391 N SER A 104 -34.788 -5.792 -0.301 1.00 0.00 N ATOM 1392 CA SER A 104 -34.429 -5.963 1.098 1.00 0.00 C ATOM 1393 C SER A 104 -32.918 -6.035 1.276 1.00 0.00 C ATOM 1394 O SER A 104 -32.291 -7.047 0.959 1.00 0.00 O ATOM 1395 CB SER A 104 -35.078 -7.230 1.660 1.00 0.00 C ATOM 1396 OG SER A 104 -36.283 -7.531 0.978 1.00 0.00 O ATOM 0 H SER A 104 -34.619 -6.612 -0.884 1.00 0.00 H new ATOM 0 HA SER A 104 -34.797 -5.095 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.386 -8.068 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.281 -7.098 2.723 1.00 0.00 H new ATOM 0 HG SER A 104 -36.125 -8.259 0.341 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.344 -4.960 1.809 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.910 -4.893 2.071 1.00 0.00 C ATOM 1404 C LEU A 105 -30.424 -6.178 2.731 1.00 0.00 C ATOM 1405 O LEU A 105 -30.761 -6.470 3.878 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.607 -3.691 2.972 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.479 -2.760 2.509 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.496 -2.570 1.000 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -28.127 -3.282 2.973 1.00 0.00 C ATOM 0 H LEU A 105 -32.855 -4.117 2.070 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.385 -4.775 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.518 -3.101 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.357 -4.063 3.966 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.647 -1.784 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.683 -1.905 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.369 -3.535 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.448 -2.133 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.341 -2.607 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -28.113 -3.338 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.958 -4.275 2.556 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.674 -6.964 1.974 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.167 -8.238 2.454 1.00 0.00 C ATOM 1423 C ILE A 106 -27.895 -8.050 3.261 1.00 0.00 C ATOM 1424 O ILE A 106 -27.231 -7.025 3.151 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.890 -9.188 1.282 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.159 -9.379 0.453 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -28.366 -10.522 1.788 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -31.225 -10.189 1.158 1.00 0.00 C ATOM 0 H ILE A 106 -29.402 -6.738 1.017 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.932 -8.674 3.097 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.124 -8.747 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.567 -8.401 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.900 -9.872 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -28.175 -11.183 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -27.440 -10.363 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -29.107 -10.978 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -32.097 -10.284 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.835 -11.180 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -31.512 -9.687 2.082 1.00 0.00 H new ATOM 1440 N GLY A 107 -27.557 -9.046 4.068 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.369 -8.954 4.891 1.00 0.00 C ATOM 1442 C GLY A 107 -26.373 -7.710 5.750 1.00 0.00 C ATOM 1443 O GLY A 107 -27.349 -7.428 6.445 1.00 0.00 O ATOM 0 H GLY A 107 -28.083 -9.914 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.300 -9.835 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -25.485 -8.952 4.253 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.289 -6.954 5.685 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.176 -5.718 6.447 1.00 0.00 C ATOM 1449 C ASN A 108 -25.087 -4.514 5.519 1.00 0.00 C ATOM 1450 O ASN A 108 -24.348 -4.526 4.535 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.952 -5.762 7.360 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.862 -7.056 8.142 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -23.134 -7.974 7.766 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -24.611 -7.136 9.235 1.00 0.00 N ATOM 0 H ASN A 108 -24.474 -7.173 5.113 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.072 -5.619 7.060 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -23.050 -5.639 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.990 -4.923 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.598 -7.984 9.801 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -25.200 -6.349 9.509 1.00 0.00 H new ATOM 1461 N SER A 109 -25.852 -3.478 5.838 1.00 0.00 N ATOM 1462 CA SER A 109 -25.855 -2.257 5.047 1.00 0.00 C ATOM 1463 C SER A 109 -24.524 -1.534 5.184 1.00 0.00 C ATOM 1464 O SER A 109 -24.065 -0.869 4.255 1.00 0.00 O ATOM 1465 CB SER A 109 -26.997 -1.347 5.493 1.00 0.00 C ATOM 1466 OG SER A 109 -27.810 -1.983 6.463 1.00 0.00 O ATOM 0 H SER A 109 -26.480 -3.460 6.642 1.00 0.00 H new ATOM 0 HA SER A 109 -26.001 -2.520 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.590 -0.424 5.905 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.604 -1.071 4.631 1.00 0.00 H new ATOM 0 HG SER A 109 -28.532 -1.378 6.732 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.902 -1.692 6.344 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.625 -1.059 6.598 1.00 0.00 C ATOM 1474 C GLY A 110 -21.480 -1.754 5.887 1.00 0.00 C ATOM 1475 O GLY A 110 -21.369 -2.979 5.924 1.00 0.00 O ATOM 0 H GLY A 110 -24.262 -2.251 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.669 -0.018 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.433 -1.054 7.671 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.631 -0.968 5.234 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.479 -1.506 4.519 1.00 0.00 C ATOM 1481 C VAL A 111 -18.199 -0.833 4.989 1.00 0.00 C ATOM 1482 O VAL A 111 -18.088 0.389 4.953 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.614 -1.318 3.003 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.650 -2.233 2.263 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.046 -1.563 2.558 1.00 0.00 C ATOM 0 H VAL A 111 -20.719 0.047 5.185 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.438 -2.574 4.735 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.357 -0.287 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.760 -2.085 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.627 -1.999 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.871 -3.271 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.121 -1.425 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.337 -2.582 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.709 -0.859 3.061 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.239 -1.634 5.438 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.983 -1.096 5.949 1.00 0.00 C ATOM 1497 C LEU A 112 -14.994 -0.807 4.828 1.00 0.00 C ATOM 1498 O LEU A 112 -14.622 -1.700 4.068 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.349 -2.070 6.947 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.920 -1.717 7.377 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -13.292 -2.869 8.147 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.916 -0.447 8.215 1.00 0.00 C ATOM 0 H LEU A 112 -17.305 -2.652 5.459 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.216 -0.157 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.979 -2.118 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.344 -3.067 6.506 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.324 -1.541 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.278 -2.599 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.886 -3.079 9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.261 -3.756 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.894 -0.210 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.324 0.377 7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.527 -0.596 9.105 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.535 0.438 4.763 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.528 0.825 3.790 1.00 0.00 C ATOM 1516 C CYS A 113 -12.144 0.603 4.380 1.00 0.00 C ATOM 1517 O CYS A 113 -11.707 1.353 5.255 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.690 2.289 3.393 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.344 2.932 2.345 1.00 0.00 S ATOM 0 H CYS A 113 -14.846 1.194 5.373 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.652 0.212 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.636 2.408 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.752 2.894 4.297 1.00 0.00 H new ATOM 1524 N SER A 114 -11.481 -0.456 3.939 1.00 0.00 N ATOM 1525 CA SER A 114 -10.167 -0.799 4.465 1.00 0.00 C ATOM 1526 C SER A 114 -9.253 -1.347 3.377 1.00 0.00 C ATOM 1527 O SER A 114 -9.715 -1.896 2.377 1.00 0.00 O ATOM 1528 CB SER A 114 -10.308 -1.827 5.590 1.00 0.00 C ATOM 1529 OG SER A 114 -10.612 -3.110 5.073 1.00 0.00 O ATOM 0 H SER A 114 -11.829 -1.091 3.221 1.00 0.00 H new ATOM 0 HA SER A 114 -9.715 0.113 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.382 -1.873 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.093 -1.513 6.277 1.00 0.00 H new ATOM 0 HG SER A 114 -10.695 -3.749 5.811 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.950 -1.198 3.591 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.972 -1.687 2.634 1.00 0.00 C ATOM 1537 C GLY A 115 -7.313 -1.314 1.205 1.00 0.00 C ATOM 1538 O GLY A 115 -7.063 -2.085 0.278 1.00 0.00 O ATOM 0 H GLY A 115 -7.552 -0.745 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.991 -1.284 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.902 -2.772 2.715 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.885 -0.129 1.026 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.262 0.318 -0.301 1.00 0.00 C ATOM 1544 C GLY A 116 -9.407 -0.487 -0.888 1.00 0.00 C ATOM 1545 O GLY A 116 -9.708 -0.373 -2.076 1.00 0.00 O ATOM 0 H GLY A 116 -8.094 0.530 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.547 1.369 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.398 0.249 -0.962 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.051 -1.301 -0.055 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.174 -2.115 -0.497 1.00 0.00 C ATOM 1551 C GLU A 117 -12.334 -2.003 0.483 1.00 0.00 C ATOM 1552 O GLU A 117 -12.233 -1.327 1.506 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.751 -3.578 -0.639 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.288 -4.208 0.664 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.140 -5.714 0.564 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -9.095 -6.175 0.058 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -11.069 -6.432 0.991 1.00 0.00 O ATOM 0 H GLU A 117 -9.812 -1.413 0.930 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.500 -1.746 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.589 -4.153 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.946 -3.645 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.333 -3.771 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.001 -3.968 1.453 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.432 -2.676 0.167 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.614 -2.644 1.011 1.00 0.00 C ATOM 1566 C TRP A 118 -14.935 -4.033 1.549 1.00 0.00 C ATOM 1567 O TRP A 118 -14.666 -5.040 0.893 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.793 -2.097 0.215 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.654 -0.642 -0.106 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.077 -0.098 -1.218 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.079 0.458 0.704 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.131 1.273 -1.154 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.740 1.638 0.017 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.719 0.559 1.941 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.019 2.902 0.525 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.995 1.815 2.445 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.653 2.973 1.734 1.00 0.00 C ATOM 0 H TRP A 118 -13.527 -3.251 -0.670 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.420 -1.992 1.863 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -15.891 -2.661 -0.713 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.711 -2.253 0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.642 -0.663 -2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.776 1.914 -1.863 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.993 -0.328 2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.745 3.795 -0.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.483 1.906 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.895 3.940 2.149 1.00 0.00 H new ATOM 1588 N SER A 119 -15.497 -4.083 2.752 1.00 0.00 N ATOM 1589 CA SER A 119 -15.823 -5.355 3.383 1.00 0.00 C ATOM 1590 C SER A 119 -17.273 -5.393 3.856 1.00 0.00 C ATOM 1591 O SER A 119 -17.929 -4.358 3.981 1.00 0.00 O ATOM 1592 CB SER A 119 -14.888 -5.609 4.568 1.00 0.00 C ATOM 1593 OG SER A 119 -14.277 -4.407 5.003 1.00 0.00 O ATOM 0 H SER A 119 -15.735 -3.261 3.307 1.00 0.00 H new ATOM 0 HA SER A 119 -15.690 -6.138 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.450 -6.053 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.120 -6.328 4.282 1.00 0.00 H new ATOM 0 HG SER A 119 -13.473 -4.618 5.523 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.748 -6.604 4.136 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.109 -6.825 4.617 1.00 0.00 C ATOM 1601 C ASP A 120 -20.142 -6.040 3.810 1.00 0.00 C ATOM 1602 O ASP A 120 -20.996 -5.360 4.380 1.00 0.00 O ATOM 1603 CB ASP A 120 -19.221 -6.469 6.104 1.00 0.00 C ATOM 1604 CG ASP A 120 -18.574 -5.142 6.446 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -19.283 -4.114 6.430 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -17.359 -5.130 6.733 1.00 0.00 O ATOM 0 H ASP A 120 -17.201 -7.459 4.036 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.325 -7.885 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -20.273 -6.437 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.756 -7.257 6.697 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.120 -6.173 2.472 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.091 -5.514 1.600 1.00 0.00 C ATOM 1613 C PRO A 121 -22.398 -6.303 1.517 1.00 0.00 C ATOM 1614 O PRO A 121 -22.391 -7.533 1.561 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.381 -5.500 0.252 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.541 -6.734 0.263 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.156 -6.982 1.704 1.00 0.00 C ATOM 0 HA PRO A 121 -21.376 -4.523 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.094 -5.512 -0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.771 -4.605 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.093 -7.582 -0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.655 -6.605 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.227 -8.039 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.129 -6.675 1.902 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.540 -5.607 1.400 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.853 -6.240 1.366 1.00 0.00 C ATOM 1627 C PRO A 122 -25.369 -6.526 -0.032 1.00 0.00 C ATOM 1628 O PRO A 122 -24.659 -6.377 -1.026 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.738 -5.187 2.015 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.108 -3.880 1.657 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.650 -4.140 1.375 1.00 0.00 C ATOM 0 HA PRO A 122 -24.831 -7.214 1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.761 -5.247 1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.783 -5.321 3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.596 -3.446 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.219 -3.165 2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.351 -3.734 0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.009 -3.679 2.127 1.00 0.00 H new ATOM 1639 N THR A 123 -26.636 -6.907 -0.079 1.00 0.00 N ATOM 1640 CA THR A 123 -27.323 -7.181 -1.335 1.00 0.00 C ATOM 1641 C THR A 123 -28.749 -6.654 -1.274 1.00 0.00 C ATOM 1642 O THR A 123 -29.113 -5.934 -0.345 1.00 0.00 O ATOM 1643 CB THR A 123 -27.332 -8.682 -1.634 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.348 -9.352 -0.866 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.078 -9.004 -3.091 1.00 0.00 C ATOM 0 H THR A 123 -27.217 -7.035 0.749 1.00 0.00 H new ATOM 0 HA THR A 123 -26.787 -6.674 -2.137 1.00 0.00 H new ATOM 0 HB THR A 123 -28.334 -9.023 -1.374 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.370 -10.310 -1.070 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.098 -10.084 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 123 -27.851 -8.543 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.102 -8.617 -3.384 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.553 -7.011 -2.264 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.934 -6.558 -2.309 1.00 0.00 C ATOM 1655 C CYS A 124 -31.848 -7.641 -2.861 1.00 0.00 C ATOM 1656 O CYS A 124 -32.001 -7.785 -4.074 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.045 -5.292 -3.157 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.618 -3.762 -2.265 1.00 0.00 S ATOM 0 H CYS A 124 -29.275 -7.609 -3.042 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.251 -6.334 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.391 -5.389 -4.024 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.064 -5.208 -3.534 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.455 -8.399 -1.958 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.357 -9.470 -2.343 1.00 0.00 C ATOM 1665 C GLN A 125 -34.731 -9.270 -1.719 1.00 0.00 C ATOM 1666 O GLN A 125 -34.876 -8.574 -0.715 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.783 -10.821 -1.920 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.776 -11.387 -2.907 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.671 -12.173 -2.228 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -30.792 -12.559 -1.066 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -29.585 -12.414 -2.953 1.00 0.00 N ATOM 0 H GLN A 125 -32.337 -8.289 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.464 -9.452 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.305 -10.715 -0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.600 -11.532 -1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -32.293 -12.033 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -31.336 -10.571 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -29.527 -12.075 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.809 -12.938 -2.550 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.734 -9.887 -2.325 1.00 0.00 N ATOM 1681 CA ILE A 126 -37.104 -9.781 -1.842 1.00 0.00 C ATOM 1682 C ILE A 126 -37.385 -10.816 -0.758 1.00 0.00 C ATOM 1683 O ILE A 126 -38.110 -11.785 -0.982 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.113 -9.961 -2.991 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.862 -8.916 -4.077 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.540 -9.863 -2.474 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -38.204 -7.506 -3.649 1.00 0.00 C ATOM 0 H ILE A 126 -35.625 -10.469 -3.156 1.00 0.00 H new ATOM 0 HA ILE A 126 -37.220 -8.783 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.977 -10.953 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -36.813 -8.954 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.449 -9.172 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.237 -9.993 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.712 -10.641 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.696 -8.885 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -38.001 -6.817 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.260 -7.452 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.598 -7.231 -2.786 1.00 0.00 H new TER 1699 ILE A 126