USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 Single : A 1 MET CE :methyl 171:sc= -0.0115 (180deg=-0.138) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.00621 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 147:sc= 0.871 USER MOD Single : A 6 SER OG : rot -150:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= 1.65 (180deg=0.221) USER MOD Single : A 36 SER OG : rot 40:sc= 0.444 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 2:sc= 0.949 USER MOD Single : A 66 CYS SG : rot 90:sc= -5.23! USER MOD Single : A 70 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.079) USER MOD Single : A 72 SER OG : rot 24:sc= 0.108 USER MOD Single : A 78 SER OG : rot 137:sc= 0.638 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.660 6.168 11.239 1.00 14.11 N ATOM 2 CA MET A 1 -6.163 6.113 9.841 1.00 52.02 C ATOM 3 C MET A 1 -4.866 5.287 9.786 1.00 61.31 C ATOM 4 O MET A 1 -3.978 5.473 10.623 1.00 22.45 O ATOM 5 CB MET A 1 -5.939 7.544 9.287 1.00 42.25 C ATOM 6 CG MET A 1 -5.678 7.589 7.775 1.00 61.52 C ATOM 7 SD MET A 1 -6.973 6.737 6.832 1.00 1.31 S ATOM 8 CE MET A 1 -8.439 7.690 7.240 1.00 13.41 C ATOM 0 H1 MET A 1 -7.128 7.082 11.405 1.00 14.11 H new ATOM 0 H2 MET A 1 -7.340 5.397 11.396 1.00 14.11 H new ATOM 0 H3 MET A 1 -5.861 6.064 11.896 1.00 14.11 H new ATOM 0 HA MET A 1 -6.910 5.629 9.213 1.00 52.02 H new ATOM 0 HB2 MET A 1 -6.815 8.152 9.513 1.00 42.25 H new ATOM 0 HB3 MET A 1 -5.094 7.996 9.806 1.00 42.25 H new ATOM 0 HG2 MET A 1 -5.617 8.627 7.449 1.00 61.52 H new ATOM 0 HG3 MET A 1 -4.713 7.130 7.561 1.00 61.52 H new ATOM 0 HE1 MET A 1 -9.267 7.373 6.606 1.00 13.41 H new ATOM 0 HE2 MET A 1 -8.699 7.527 8.286 1.00 13.41 H new ATOM 0 HE3 MET A 1 -8.242 8.749 7.076 1.00 13.41 H new ATOM 18 N THR A 2 -4.773 4.366 8.810 1.00 62.13 N ATOM 19 CA THR A 2 -3.593 3.493 8.625 1.00 55.45 C ATOM 20 C THR A 2 -2.321 4.323 8.292 1.00 53.03 C ATOM 21 O THR A 2 -2.210 4.898 7.215 1.00 3.42 O ATOM 22 CB THR A 2 -3.860 2.429 7.501 1.00 35.33 C ATOM 23 OG1 THR A 2 -4.512 3.050 6.387 1.00 11.42 O ATOM 24 CG2 THR A 2 -4.716 1.242 7.978 1.00 71.23 C ATOM 0 H THR A 2 -5.512 4.204 8.126 1.00 62.13 H new ATOM 0 HA THR A 2 -3.418 2.971 9.566 1.00 55.45 H new ATOM 0 HB THR A 2 -2.885 2.035 7.214 1.00 35.33 H new ATOM 0 HG1 THR A 2 -4.225 2.616 5.557 1.00 11.42 H new ATOM 0 HG21 THR A 2 -4.863 0.545 7.153 1.00 71.23 H new ATOM 0 HG22 THR A 2 -4.208 0.733 8.797 1.00 71.23 H new ATOM 0 HG23 THR A 2 -5.684 1.606 8.322 1.00 71.23 H new ATOM 32 N ARG A 3 -1.389 4.419 9.255 1.00 1.22 N ATOM 33 CA ARG A 3 -0.090 5.104 9.064 1.00 64.03 C ATOM 34 C ARG A 3 1.039 4.058 9.194 1.00 15.14 C ATOM 35 O ARG A 3 1.187 3.413 10.238 1.00 25.24 O ATOM 36 CB ARG A 3 0.074 6.270 10.098 1.00 64.02 C ATOM 37 CG ARG A 3 1.145 7.356 9.749 1.00 10.23 C ATOM 38 CD ARG A 3 2.615 6.893 9.912 1.00 52.43 C ATOM 39 NE ARG A 3 2.941 6.567 11.316 1.00 14.41 N ATOM 40 CZ ARG A 3 3.667 5.547 11.729 1.00 53.44 C ATOM 41 NH1 ARG A 3 4.116 4.658 10.908 1.00 34.45 N ATOM 42 NH2 ARG A 3 3.926 5.412 12.982 1.00 52.33 N ATOM 0 H ARG A 3 -1.510 4.026 10.188 1.00 1.22 H new ATOM 0 HA ARG A 3 -0.043 5.554 8.072 1.00 64.03 H new ATOM 0 HB2 ARG A 3 -0.891 6.764 10.213 1.00 64.02 H new ATOM 0 HB3 ARG A 3 0.328 5.837 11.066 1.00 64.02 H new ATOM 0 HG2 ARG A 3 0.992 7.679 8.719 1.00 10.23 H new ATOM 0 HG3 ARG A 3 0.980 8.226 10.384 1.00 10.23 H new ATOM 0 HD2 ARG A 3 2.791 6.018 9.287 1.00 52.43 H new ATOM 0 HD3 ARG A 3 3.284 7.678 9.557 1.00 52.43 H new ATOM 0 HE ARG A 3 2.569 7.190 12.033 1.00 14.41 H new ATOM 0 HH11 ARG A 3 3.911 4.734 9.912 1.00 34.45 H new ATOM 0 HH12 ARG A 3 4.675 3.879 11.256 1.00 34.45 H new ATOM 0 HH21 ARG A 3 3.570 6.093 13.653 1.00 52.33 H new ATOM 0 HH22 ARG A 3 4.487 4.624 13.305 1.00 52.33 H new ATOM 56 N VAL A 4 1.834 3.903 8.125 1.00 70.10 N ATOM 57 CA VAL A 4 2.950 2.929 8.064 1.00 53.13 C ATOM 58 C VAL A 4 4.284 3.669 7.766 1.00 53.30 C ATOM 59 O VAL A 4 4.311 4.630 7.004 1.00 43.31 O ATOM 60 CB VAL A 4 2.664 1.820 6.976 1.00 73.23 C ATOM 61 CG1 VAL A 4 3.854 0.831 6.826 1.00 71.53 C ATOM 62 CG2 VAL A 4 1.345 1.056 7.287 1.00 73.14 C ATOM 0 H VAL A 4 1.726 4.450 7.271 1.00 70.10 H new ATOM 0 HA VAL A 4 3.037 2.433 9.031 1.00 53.13 H new ATOM 0 HB VAL A 4 2.545 2.332 6.021 1.00 73.23 H new ATOM 0 HG11 VAL A 4 3.614 0.086 6.068 1.00 71.53 H new ATOM 0 HG12 VAL A 4 4.747 1.379 6.526 1.00 71.53 H new ATOM 0 HG13 VAL A 4 4.036 0.334 7.779 1.00 71.53 H new ATOM 0 HG21 VAL A 4 1.174 0.299 6.522 1.00 73.14 H new ATOM 0 HG22 VAL A 4 1.424 0.575 8.262 1.00 73.14 H new ATOM 0 HG23 VAL A 4 0.511 1.758 7.296 1.00 73.14 H new ATOM 72 N ARG A 5 5.380 3.238 8.412 1.00 70.14 N ATOM 73 CA ARG A 5 6.732 3.806 8.181 1.00 12.14 C ATOM 74 C ARG A 5 7.727 2.664 7.875 1.00 33.24 C ATOM 75 O ARG A 5 7.804 1.690 8.631 1.00 33.55 O ATOM 76 CB ARG A 5 7.206 4.624 9.417 1.00 33.24 C ATOM 77 CG ARG A 5 8.472 5.480 9.168 1.00 22.51 C ATOM 78 CD ARG A 5 8.981 6.190 10.438 1.00 52.33 C ATOM 79 NE ARG A 5 9.545 5.245 11.418 1.00 32.13 N ATOM 80 CZ ARG A 5 9.946 5.549 12.634 1.00 43.13 C ATOM 81 NH1 ARG A 5 9.813 6.744 13.123 1.00 25.33 N ATOM 82 NH2 ARG A 5 10.486 4.635 13.365 1.00 21.14 N ATOM 0 H ARG A 5 5.362 2.491 9.106 1.00 70.14 H new ATOM 0 HA ARG A 5 6.689 4.483 7.327 1.00 12.14 H new ATOM 0 HB2 ARG A 5 6.396 5.279 9.737 1.00 33.24 H new ATOM 0 HB3 ARG A 5 7.403 3.936 10.239 1.00 33.24 H new ATOM 0 HG2 ARG A 5 9.263 4.842 8.774 1.00 22.51 H new ATOM 0 HG3 ARG A 5 8.254 6.226 8.404 1.00 22.51 H new ATOM 0 HD2 ARG A 5 9.741 6.922 10.163 1.00 52.33 H new ATOM 0 HD3 ARG A 5 8.160 6.740 10.898 1.00 52.33 H new ATOM 0 HE ARG A 5 9.632 4.271 11.129 1.00 32.13 H new ATOM 0 HH11 ARG A 5 9.387 7.481 12.561 1.00 25.33 H new ATOM 0 HH12 ARG A 5 10.135 6.946 14.070 1.00 25.33 H new ATOM 0 HH21 ARG A 5 10.598 3.689 12.999 1.00 21.14 H new ATOM 0 HH22 ARG A 5 10.801 4.857 14.309 1.00 21.14 H new ATOM 96 N SER A 6 8.474 2.782 6.763 1.00 50.41 N ATOM 97 CA SER A 6 9.463 1.757 6.332 1.00 4.34 C ATOM 98 C SER A 6 10.869 2.364 6.197 1.00 20.41 C ATOM 99 O SER A 6 11.019 3.580 6.110 1.00 44.35 O ATOM 100 CB SER A 6 9.022 1.120 4.992 1.00 32.35 C ATOM 101 OG SER A 6 7.781 0.445 5.130 1.00 60.55 O ATOM 0 H SER A 6 8.416 3.584 6.135 1.00 50.41 H new ATOM 0 HA SER A 6 9.503 0.982 7.097 1.00 4.34 H new ATOM 0 HB2 SER A 6 8.936 1.894 4.229 1.00 32.35 H new ATOM 0 HB3 SER A 6 9.784 0.420 4.651 1.00 32.35 H new ATOM 0 HG SER A 6 7.744 -0.304 4.499 1.00 60.55 H new ATOM 107 N THR A 7 11.892 1.499 6.177 1.00 53.25 N ATOM 108 CA THR A 7 13.307 1.915 6.053 1.00 21.20 C ATOM 109 C THR A 7 13.765 1.974 4.576 1.00 43.33 C ATOM 110 O THR A 7 13.409 1.097 3.772 1.00 75.23 O ATOM 111 CB THR A 7 14.252 0.962 6.869 1.00 61.00 C ATOM 112 OG1 THR A 7 13.830 -0.410 6.716 1.00 64.41 O ATOM 113 CG2 THR A 7 14.285 1.347 8.357 1.00 54.23 C ATOM 0 H THR A 7 11.768 0.489 6.246 1.00 53.25 H new ATOM 0 HA THR A 7 13.376 2.920 6.468 1.00 21.20 H new ATOM 0 HB THR A 7 15.262 1.070 6.473 1.00 61.00 H new ATOM 0 HG1 THR A 7 14.427 -0.995 7.227 1.00 64.41 H new ATOM 0 HG21 THR A 7 14.948 0.668 8.894 1.00 54.23 H new ATOM 0 HG22 THR A 7 14.651 2.369 8.460 1.00 54.23 H new ATOM 0 HG23 THR A 7 13.280 1.277 8.773 1.00 54.23 H new ATOM 121 N PRO A 8 14.589 3.009 4.202 1.00 61.30 N ATOM 122 CA PRO A 8 15.037 3.222 2.808 1.00 0.01 C ATOM 123 C PRO A 8 16.097 2.181 2.345 1.00 20.30 C ATOM 124 O PRO A 8 17.177 2.064 2.930 1.00 1.03 O ATOM 125 CB PRO A 8 15.587 4.669 2.858 1.00 61.44 C ATOM 126 CG PRO A 8 16.126 4.810 4.238 1.00 40.32 C ATOM 127 CD PRO A 8 15.153 4.052 5.113 1.00 51.45 C ATOM 0 HA PRO A 8 14.242 3.090 2.074 1.00 0.01 H new ATOM 0 HB2 PRO A 8 16.364 4.825 2.110 1.00 61.44 H new ATOM 0 HB3 PRO A 8 14.803 5.400 2.661 1.00 61.44 H new ATOM 0 HG2 PRO A 8 17.131 4.396 4.314 1.00 40.32 H new ATOM 0 HG3 PRO A 8 16.189 5.858 4.533 1.00 40.32 H new ATOM 0 HD2 PRO A 8 15.653 3.604 5.972 1.00 51.45 H new ATOM 0 HD3 PRO A 8 14.373 4.706 5.503 1.00 51.45 H new ATOM 135 N GLY A 9 15.754 1.416 1.296 1.00 32.12 N ATOM 136 CA GLY A 9 16.607 0.331 0.781 1.00 5.22 C ATOM 137 C GLY A 9 16.029 -1.065 1.045 1.00 4.44 C ATOM 138 O GLY A 9 16.485 -2.048 0.449 1.00 25.24 O ATOM 0 H GLY A 9 14.881 1.531 0.782 1.00 32.12 H new ATOM 0 HA2 GLY A 9 16.745 0.464 -0.292 1.00 5.22 H new ATOM 0 HA3 GLY A 9 17.593 0.403 1.241 1.00 5.22 H new ATOM 142 N GLY A 10 15.024 -1.155 1.943 1.00 63.33 N ATOM 143 CA GLY A 10 14.364 -2.435 2.261 1.00 43.32 C ATOM 144 C GLY A 10 13.171 -2.738 1.343 1.00 74.43 C ATOM 145 O GLY A 10 13.287 -2.658 0.114 1.00 74.35 O ATOM 0 H GLY A 10 14.654 -0.356 2.459 1.00 63.33 H new ATOM 0 HA2 GLY A 10 15.092 -3.243 2.181 1.00 43.32 H new ATOM 0 HA3 GLY A 10 14.023 -2.415 3.296 1.00 43.32 H new ATOM 149 N ASP A 11 12.027 -3.110 1.941 1.00 60.31 N ATOM 150 CA ASP A 11 10.769 -3.375 1.205 1.00 71.42 C ATOM 151 C ASP A 11 9.538 -2.975 2.056 1.00 73.45 C ATOM 152 O ASP A 11 9.573 -3.021 3.294 1.00 32.51 O ATOM 153 CB ASP A 11 10.678 -4.866 0.761 1.00 64.31 C ATOM 154 CG ASP A 11 10.762 -5.861 1.935 1.00 63.53 C ATOM 155 OD1 ASP A 11 11.889 -6.243 2.322 1.00 23.11 O ATOM 156 OD2 ASP A 11 9.710 -6.252 2.487 1.00 34.14 O ATOM 0 H ASP A 11 11.943 -3.237 2.950 1.00 60.31 H new ATOM 0 HA ASP A 11 10.774 -2.760 0.305 1.00 71.42 H new ATOM 0 HB2 ASP A 11 9.740 -5.022 0.229 1.00 64.31 H new ATOM 0 HB3 ASP A 11 11.483 -5.077 0.057 1.00 64.31 H new ATOM 161 N LEU A 12 8.460 -2.572 1.369 1.00 10.14 N ATOM 162 CA LEU A 12 7.181 -2.186 1.993 1.00 1.42 C ATOM 163 C LEU A 12 6.189 -3.371 1.959 1.00 42.55 C ATOM 164 O LEU A 12 6.181 -4.138 0.996 1.00 2.20 O ATOM 165 CB LEU A 12 6.590 -0.968 1.230 1.00 54.22 C ATOM 166 CG LEU A 12 5.219 -0.417 1.738 1.00 3.11 C ATOM 167 CD1 LEU A 12 5.328 0.089 3.192 1.00 52.14 C ATOM 168 CD2 LEU A 12 4.675 0.682 0.792 1.00 43.34 C ATOM 0 H LEU A 12 8.449 -2.503 0.351 1.00 10.14 H new ATOM 0 HA LEU A 12 7.353 -1.914 3.034 1.00 1.42 H new ATOM 0 HB2 LEU A 12 7.317 -0.157 1.269 1.00 54.22 H new ATOM 0 HB3 LEU A 12 6.477 -1.246 0.182 1.00 54.22 H new ATOM 0 HG LEU A 12 4.503 -1.239 1.731 1.00 3.11 H new ATOM 0 HD11 LEU A 12 4.359 0.467 3.519 1.00 52.14 H new ATOM 0 HD12 LEU A 12 5.636 -0.731 3.841 1.00 52.14 H new ATOM 0 HD13 LEU A 12 6.066 0.889 3.244 1.00 52.14 H new ATOM 0 HD21 LEU A 12 3.720 1.047 1.170 1.00 43.34 H new ATOM 0 HD22 LEU A 12 5.386 1.507 0.745 1.00 43.34 H new ATOM 0 HD23 LEU A 12 4.535 0.267 -0.206 1.00 43.34 H new ATOM 180 N GLU A 13 5.374 -3.516 3.023 1.00 21.13 N ATOM 181 CA GLU A 13 4.256 -4.486 3.064 1.00 0.13 C ATOM 182 C GLU A 13 3.073 -3.887 3.858 1.00 41.22 C ATOM 183 O GLU A 13 3.181 -3.657 5.068 1.00 33.23 O ATOM 184 CB GLU A 13 4.698 -5.844 3.674 1.00 42.31 C ATOM 185 CG GLU A 13 3.615 -6.946 3.600 1.00 22.45 C ATOM 186 CD GLU A 13 4.073 -8.299 4.168 1.00 44.20 C ATOM 187 OE1 GLU A 13 4.892 -8.981 3.509 1.00 20.50 O ATOM 188 OE2 GLU A 13 3.627 -8.682 5.271 1.00 62.43 O ATOM 0 H GLU A 13 5.470 -2.967 3.877 1.00 21.13 H new ATOM 0 HA GLU A 13 3.937 -4.682 2.040 1.00 0.13 H new ATOM 0 HB2 GLU A 13 5.591 -6.191 3.155 1.00 42.31 H new ATOM 0 HB3 GLU A 13 4.975 -5.690 4.717 1.00 42.31 H new ATOM 0 HG2 GLU A 13 2.732 -6.613 4.145 1.00 22.45 H new ATOM 0 HG3 GLU A 13 3.316 -7.080 2.560 1.00 22.45 H new ATOM 195 N LEU A 14 1.960 -3.625 3.160 1.00 40.33 N ATOM 196 CA LEU A 14 0.740 -3.043 3.744 1.00 40.41 C ATOM 197 C LEU A 14 -0.349 -4.121 3.842 1.00 64.32 C ATOM 198 O LEU A 14 -0.966 -4.461 2.835 1.00 23.44 O ATOM 199 CB LEU A 14 0.244 -1.878 2.846 1.00 33.44 C ATOM 200 CG LEU A 14 1.268 -0.741 2.572 1.00 64.53 C ATOM 201 CD1 LEU A 14 0.674 0.340 1.654 1.00 32.35 C ATOM 202 CD2 LEU A 14 1.782 -0.126 3.883 1.00 10.34 C ATOM 0 H LEU A 14 1.879 -3.813 2.161 1.00 40.33 H new ATOM 0 HA LEU A 14 0.959 -2.663 4.742 1.00 40.41 H new ATOM 0 HB2 LEU A 14 -0.072 -2.293 1.889 1.00 33.44 H new ATOM 0 HB3 LEU A 14 -0.639 -1.439 3.310 1.00 33.44 H new ATOM 0 HG LEU A 14 2.118 -1.186 2.055 1.00 64.53 H new ATOM 0 HD11 LEU A 14 1.416 1.120 1.483 1.00 32.35 H new ATOM 0 HD12 LEU A 14 0.391 -0.107 0.701 1.00 32.35 H new ATOM 0 HD13 LEU A 14 -0.207 0.775 2.127 1.00 32.35 H new ATOM 0 HD21 LEU A 14 2.496 0.666 3.658 1.00 10.34 H new ATOM 0 HD22 LEU A 14 0.944 0.289 4.443 1.00 10.34 H new ATOM 0 HD23 LEU A 14 2.271 -0.897 4.479 1.00 10.34 H new ATOM 214 N VAL A 15 -0.578 -4.649 5.052 1.00 2.12 N ATOM 215 CA VAL A 15 -1.631 -5.657 5.305 1.00 63.12 C ATOM 216 C VAL A 15 -2.818 -4.979 6.008 1.00 73.42 C ATOM 217 O VAL A 15 -2.679 -4.478 7.134 1.00 50.30 O ATOM 218 CB VAL A 15 -1.103 -6.859 6.175 1.00 21.41 C ATOM 219 CG1 VAL A 15 -2.195 -7.954 6.351 1.00 74.24 C ATOM 220 CG2 VAL A 15 0.196 -7.446 5.567 1.00 31.55 C ATOM 0 H VAL A 15 -0.044 -4.395 5.883 1.00 2.12 H new ATOM 0 HA VAL A 15 -1.945 -6.068 4.346 1.00 63.12 H new ATOM 0 HB VAL A 15 -0.866 -6.478 7.168 1.00 21.41 H new ATOM 0 HG11 VAL A 15 -1.799 -8.769 6.956 1.00 74.24 H new ATOM 0 HG12 VAL A 15 -3.065 -7.524 6.847 1.00 74.24 H new ATOM 0 HG13 VAL A 15 -2.487 -8.337 5.373 1.00 74.24 H new ATOM 0 HG21 VAL A 15 0.544 -8.275 6.183 1.00 31.55 H new ATOM 0 HG22 VAL A 15 -0.004 -7.804 4.557 1.00 31.55 H new ATOM 0 HG23 VAL A 15 0.963 -6.673 5.532 1.00 31.55 H new ATOM 230 N VAL A 16 -3.985 -4.974 5.348 1.00 10.44 N ATOM 231 CA VAL A 16 -5.180 -4.253 5.844 1.00 31.32 C ATOM 232 C VAL A 16 -6.123 -5.217 6.579 1.00 73.23 C ATOM 233 O VAL A 16 -6.185 -6.406 6.268 1.00 74.11 O ATOM 234 CB VAL A 16 -5.987 -3.531 4.688 1.00 73.45 C ATOM 235 CG1 VAL A 16 -6.772 -2.308 5.226 1.00 44.43 C ATOM 236 CG2 VAL A 16 -5.071 -3.127 3.527 1.00 51.22 C ATOM 0 H VAL A 16 -4.133 -5.462 4.465 1.00 10.44 H new ATOM 0 HA VAL A 16 -4.812 -3.487 6.526 1.00 31.32 H new ATOM 0 HB VAL A 16 -6.710 -4.250 4.303 1.00 73.45 H new ATOM 0 HG11 VAL A 16 -7.315 -1.835 4.407 1.00 44.43 H new ATOM 0 HG12 VAL A 16 -7.479 -2.636 5.988 1.00 44.43 H new ATOM 0 HG13 VAL A 16 -6.075 -1.591 5.661 1.00 44.43 H new ATOM 0 HG21 VAL A 16 -5.660 -2.635 2.753 1.00 51.22 H new ATOM 0 HG22 VAL A 16 -4.304 -2.443 3.890 1.00 51.22 H new ATOM 0 HG23 VAL A 16 -4.597 -4.016 3.111 1.00 51.22 H new ATOM 246 N HIS A 17 -6.814 -4.692 7.590 1.00 40.13 N ATOM 247 CA HIS A 17 -7.843 -5.426 8.351 1.00 54.54 C ATOM 248 C HIS A 17 -9.134 -4.581 8.450 1.00 62.31 C ATOM 249 O HIS A 17 -9.888 -4.693 9.425 1.00 11.13 O ATOM 250 CB HIS A 17 -7.287 -5.790 9.755 1.00 63.41 C ATOM 251 CG HIS A 17 -6.076 -6.695 9.719 1.00 63.11 C ATOM 252 ND1 HIS A 17 -6.165 -8.070 9.658 1.00 33.40 N ATOM 253 CD2 HIS A 17 -4.747 -6.412 9.712 1.00 71.44 C ATOM 254 CE1 HIS A 17 -4.956 -8.586 9.611 1.00 0.04 C ATOM 255 NE2 HIS A 17 -4.079 -7.608 9.646 1.00 51.33 N ATOM 0 H HIS A 17 -6.679 -3.734 7.913 1.00 40.13 H new ATOM 0 HA HIS A 17 -8.095 -6.352 7.834 1.00 54.54 H new ATOM 0 HB2 HIS A 17 -7.026 -4.872 10.281 1.00 63.41 H new ATOM 0 HB3 HIS A 17 -8.074 -6.275 10.332 1.00 63.41 H new ATOM 0 HD2 HIS A 17 -4.300 -5.429 9.751 1.00 71.44 H new ATOM 0 HE1 HIS A 17 -4.723 -9.639 9.553 1.00 0.04 H new ATOM 0 HE2 HIS A 17 -3.065 -7.720 9.627 1.00 51.33 H new ATOM 264 N LEU A 18 -9.371 -3.733 7.418 1.00 71.23 N ATOM 265 CA LEU A 18 -10.597 -2.900 7.303 1.00 21.13 C ATOM 266 C LEU A 18 -11.920 -3.711 7.418 1.00 11.12 C ATOM 267 O LEU A 18 -11.961 -4.924 7.183 1.00 43.31 O ATOM 268 CB LEU A 18 -10.570 -2.035 5.987 1.00 23.10 C ATOM 269 CG LEU A 18 -10.249 -2.726 4.591 1.00 54.43 C ATOM 270 CD1 LEU A 18 -11.255 -3.817 4.168 1.00 5.11 C ATOM 271 CD2 LEU A 18 -10.113 -1.657 3.474 1.00 45.30 C ATOM 0 H LEU A 18 -8.720 -3.607 6.643 1.00 71.23 H new ATOM 0 HA LEU A 18 -10.586 -2.231 8.163 1.00 21.13 H new ATOM 0 HB2 LEU A 18 -11.544 -1.554 5.895 1.00 23.10 H new ATOM 0 HB3 LEU A 18 -9.836 -1.243 6.134 1.00 23.10 H new ATOM 0 HG LEU A 18 -9.300 -3.242 4.735 1.00 54.43 H new ATOM 0 HD11 LEU A 18 -10.958 -4.233 3.205 1.00 5.11 H new ATOM 0 HD12 LEU A 18 -11.269 -4.609 4.917 1.00 5.11 H new ATOM 0 HD13 LEU A 18 -12.250 -3.381 4.083 1.00 5.11 H new ATOM 0 HD21 LEU A 18 -9.893 -2.148 2.526 1.00 45.30 H new ATOM 0 HD22 LEU A 18 -11.046 -1.101 3.387 1.00 45.30 H new ATOM 0 HD23 LEU A 18 -9.304 -0.971 3.724 1.00 45.30 H new ATOM 283 N SER A 19 -13.001 -3.001 7.766 1.00 52.22 N ATOM 284 CA SER A 19 -14.363 -3.576 7.863 1.00 12.42 C ATOM 285 C SER A 19 -15.160 -3.358 6.548 1.00 0.23 C ATOM 286 O SER A 19 -16.397 -3.386 6.551 1.00 71.33 O ATOM 287 CB SER A 19 -15.097 -2.945 9.076 1.00 1.02 C ATOM 288 OG SER A 19 -14.408 -3.200 10.298 1.00 52.43 O ATOM 0 H SER A 19 -12.963 -2.007 7.991 1.00 52.22 H new ATOM 0 HA SER A 19 -14.286 -4.653 8.013 1.00 12.42 H new ATOM 0 HB2 SER A 19 -15.188 -1.869 8.927 1.00 1.02 H new ATOM 0 HB3 SER A 19 -16.109 -3.345 9.138 1.00 1.02 H new ATOM 0 HG SER A 19 -14.896 -2.787 11.041 1.00 52.43 H new ATOM 294 N GLY A 20 -14.433 -3.172 5.426 1.00 51.40 N ATOM 295 CA GLY A 20 -15.040 -3.037 4.095 1.00 2.44 C ATOM 296 C GLY A 20 -15.656 -4.351 3.585 1.00 20.34 C ATOM 297 O GLY A 20 -14.931 -5.342 3.448 1.00 43.14 O ATOM 0 H GLY A 20 -13.415 -3.112 5.422 1.00 51.40 H new ATOM 0 HA2 GLY A 20 -15.812 -2.268 4.129 1.00 2.44 H new ATOM 0 HA3 GLY A 20 -14.283 -2.697 3.388 1.00 2.44 H new ATOM 301 N PRO A 21 -17.004 -4.398 3.313 1.00 74.50 N ATOM 302 CA PRO A 21 -17.708 -5.637 2.883 1.00 53.35 C ATOM 303 C PRO A 21 -17.289 -6.154 1.475 1.00 2.52 C ATOM 304 O PRO A 21 -17.651 -5.558 0.449 1.00 14.23 O ATOM 305 CB PRO A 21 -19.213 -5.230 2.922 1.00 64.24 C ATOM 306 CG PRO A 21 -19.257 -3.958 3.717 1.00 65.30 C ATOM 307 CD PRO A 21 -17.951 -3.263 3.431 1.00 15.13 C ATOM 0 HA PRO A 21 -17.462 -6.476 3.534 1.00 53.35 H new ATOM 0 HB2 PRO A 21 -19.606 -5.080 1.917 1.00 64.24 H new ATOM 0 HB3 PRO A 21 -19.819 -6.007 3.388 1.00 64.24 H new ATOM 0 HG2 PRO A 21 -20.104 -3.339 3.422 1.00 65.30 H new ATOM 0 HG3 PRO A 21 -19.368 -4.164 4.782 1.00 65.30 H new ATOM 0 HD2 PRO A 21 -17.996 -2.675 2.514 1.00 15.13 H new ATOM 0 HD3 PRO A 21 -17.670 -2.581 4.234 1.00 15.13 H new ATOM 315 N GLY A 22 -16.484 -7.243 1.458 1.00 25.24 N ATOM 316 CA GLY A 22 -16.139 -7.971 0.219 1.00 1.55 C ATOM 317 C GLY A 22 -15.129 -7.264 -0.701 1.00 31.14 C ATOM 318 O GLY A 22 -14.540 -6.238 -0.338 1.00 70.53 O ATOM 0 H GLY A 22 -16.060 -7.637 2.298 1.00 25.24 H new ATOM 0 HA2 GLY A 22 -15.736 -8.947 0.491 1.00 1.55 H new ATOM 0 HA3 GLY A 22 -17.055 -8.150 -0.344 1.00 1.55 H new ATOM 322 N GLY A 23 -14.929 -7.840 -1.904 1.00 10.12 N ATOM 323 CA GLY A 23 -14.040 -7.268 -2.935 1.00 13.22 C ATOM 324 C GLY A 23 -14.804 -6.741 -4.162 1.00 34.20 C ATOM 325 O GLY A 23 -16.026 -6.898 -4.226 1.00 14.41 O ATOM 0 H GLY A 23 -15.377 -8.711 -2.187 1.00 10.12 H new ATOM 0 HA2 GLY A 23 -13.461 -6.455 -2.497 1.00 13.22 H new ATOM 0 HA3 GLY A 23 -13.328 -8.029 -3.256 1.00 13.22 H new ATOM 329 N PRO A 24 -14.124 -6.108 -5.178 1.00 3.14 N ATOM 330 CA PRO A 24 -12.654 -5.905 -5.211 1.00 43.13 C ATOM 331 C PRO A 24 -12.176 -4.616 -4.475 1.00 53.44 C ATOM 332 O PRO A 24 -12.577 -3.492 -4.816 1.00 35.02 O ATOM 333 CB PRO A 24 -12.369 -5.837 -6.733 1.00 64.11 C ATOM 334 CG PRO A 24 -13.597 -5.199 -7.323 1.00 45.14 C ATOM 335 CD PRO A 24 -14.765 -5.554 -6.403 1.00 35.54 C ATOM 0 HA PRO A 24 -12.116 -6.694 -4.686 1.00 43.13 H new ATOM 0 HB2 PRO A 24 -11.477 -5.247 -6.943 1.00 64.11 H new ATOM 0 HB3 PRO A 24 -12.200 -6.830 -7.149 1.00 64.11 H new ATOM 0 HG2 PRO A 24 -13.475 -4.118 -7.393 1.00 45.14 H new ATOM 0 HG3 PRO A 24 -13.776 -5.566 -8.334 1.00 45.14 H new ATOM 0 HD2 PRO A 24 -15.369 -4.676 -6.172 1.00 35.54 H new ATOM 0 HD3 PRO A 24 -15.428 -6.284 -6.868 1.00 35.54 H new ATOM 343 N VAL A 25 -11.329 -4.801 -3.449 1.00 42.30 N ATOM 344 CA VAL A 25 -10.664 -3.687 -2.755 1.00 15.21 C ATOM 345 C VAL A 25 -9.411 -3.262 -3.563 1.00 53.21 C ATOM 346 O VAL A 25 -8.463 -4.044 -3.723 1.00 43.15 O ATOM 347 CB VAL A 25 -10.264 -4.078 -1.290 1.00 53.32 C ATOM 348 CG1 VAL A 25 -9.717 -2.857 -0.506 1.00 22.12 C ATOM 349 CG2 VAL A 25 -11.448 -4.749 -0.547 1.00 50.31 C ATOM 0 H VAL A 25 -11.087 -5.721 -3.080 1.00 42.30 H new ATOM 0 HA VAL A 25 -11.361 -2.852 -2.688 1.00 15.21 H new ATOM 0 HB VAL A 25 -9.458 -4.809 -1.351 1.00 53.32 H new ATOM 0 HG11 VAL A 25 -9.450 -3.164 0.505 1.00 22.12 H new ATOM 0 HG12 VAL A 25 -8.834 -2.466 -1.012 1.00 22.12 H new ATOM 0 HG13 VAL A 25 -10.482 -2.082 -0.459 1.00 22.12 H new ATOM 0 HG21 VAL A 25 -11.141 -5.009 0.466 1.00 50.31 H new ATOM 0 HG22 VAL A 25 -12.290 -4.058 -0.505 1.00 50.31 H new ATOM 0 HG23 VAL A 25 -11.746 -5.652 -1.079 1.00 50.31 H new ATOM 359 N ARG A 26 -9.429 -2.028 -4.075 1.00 74.21 N ATOM 360 CA ARG A 26 -8.431 -1.529 -5.047 1.00 1.31 C ATOM 361 C ARG A 26 -7.329 -0.697 -4.356 1.00 75.14 C ATOM 362 O ARG A 26 -7.618 0.137 -3.515 1.00 11.14 O ATOM 363 CB ARG A 26 -9.156 -0.659 -6.103 1.00 55.21 C ATOM 364 CG ARG A 26 -10.247 -1.408 -6.907 1.00 41.44 C ATOM 365 CD ARG A 26 -11.071 -0.461 -7.798 1.00 33.14 C ATOM 366 NE ARG A 26 -12.089 -1.171 -8.591 1.00 52.14 N ATOM 367 CZ ARG A 26 -13.293 -1.509 -8.171 1.00 31.13 C ATOM 368 NH1 ARG A 26 -13.643 -1.373 -6.925 1.00 22.40 N ATOM 369 NH2 ARG A 26 -14.132 -2.021 -9.003 1.00 0.42 N ATOM 0 H ARG A 26 -10.138 -1.337 -3.830 1.00 74.21 H new ATOM 0 HA ARG A 26 -7.950 -2.385 -5.521 1.00 1.31 H new ATOM 0 HB2 ARG A 26 -9.613 0.194 -5.602 1.00 55.21 H new ATOM 0 HB3 ARG A 26 -8.417 -0.262 -6.799 1.00 55.21 H new ATOM 0 HG2 ARG A 26 -9.778 -2.171 -7.528 1.00 41.44 H new ATOM 0 HG3 ARG A 26 -10.913 -1.925 -6.216 1.00 41.44 H new ATOM 0 HD2 ARG A 26 -11.559 0.287 -7.173 1.00 33.14 H new ATOM 0 HD3 ARG A 26 -10.400 0.074 -8.470 1.00 33.14 H new ATOM 0 HE ARG A 26 -11.842 -1.423 -9.548 1.00 52.14 H new ATOM 0 HH11 ARG A 26 -12.980 -0.997 -6.247 1.00 22.40 H new ATOM 0 HH12 ARG A 26 -14.580 -1.642 -6.626 1.00 22.40 H new ATOM 0 HH21 ARG A 26 -13.863 -2.162 -9.977 1.00 0.42 H new ATOM 0 HH22 ARG A 26 -15.065 -2.286 -8.688 1.00 0.42 H new ATOM 383 N TRP A 27 -6.072 -0.916 -4.752 1.00 2.30 N ATOM 384 CA TRP A 27 -4.908 -0.169 -4.224 1.00 53.42 C ATOM 385 C TRP A 27 -4.543 0.993 -5.157 1.00 15.25 C ATOM 386 O TRP A 27 -4.324 0.765 -6.328 1.00 31.53 O ATOM 387 CB TRP A 27 -3.689 -1.119 -4.081 1.00 73.15 C ATOM 388 CG TRP A 27 -3.743 -1.990 -2.861 1.00 44.24 C ATOM 389 CD1 TRP A 27 -4.136 -3.297 -2.766 1.00 74.35 C ATOM 390 CD2 TRP A 27 -3.398 -1.576 -1.541 1.00 55.14 C ATOM 391 NE1 TRP A 27 -4.007 -3.727 -1.471 1.00 25.13 N ATOM 392 CE2 TRP A 27 -3.566 -2.682 -0.699 1.00 30.31 C ATOM 393 CE3 TRP A 27 -2.944 -0.367 -1.001 1.00 51.02 C ATOM 394 CZ2 TRP A 27 -3.295 -2.619 0.656 1.00 15.14 C ATOM 395 CZ3 TRP A 27 -2.686 -0.305 0.351 1.00 65.42 C ATOM 396 CH2 TRP A 27 -2.860 -1.425 1.166 1.00 65.40 C ATOM 0 H TRP A 27 -5.824 -1.617 -5.450 1.00 2.30 H new ATOM 0 HA TRP A 27 -5.174 0.233 -3.246 1.00 53.42 H new ATOM 0 HB2 TRP A 27 -3.627 -1.752 -4.966 1.00 73.15 H new ATOM 0 HB3 TRP A 27 -2.777 -0.523 -4.051 1.00 73.15 H new ATOM 0 HD1 TRP A 27 -4.494 -3.899 -3.588 1.00 74.35 H new ATOM 0 HE1 TRP A 27 -4.206 -4.670 -1.136 1.00 25.13 H new ATOM 0 HE3 TRP A 27 -2.799 0.498 -1.631 1.00 51.02 H new ATOM 0 HZ2 TRP A 27 -3.422 -3.483 1.291 1.00 15.14 H new ATOM 0 HZ3 TRP A 27 -2.345 0.623 0.786 1.00 65.42 H new ATOM 0 HH2 TRP A 27 -2.647 -1.348 2.222 1.00 65.40 H new ATOM 407 N TYR A 28 -4.496 2.229 -4.629 1.00 14.41 N ATOM 408 CA TYR A 28 -4.090 3.442 -5.394 1.00 74.14 C ATOM 409 C TYR A 28 -2.837 4.086 -4.761 1.00 54.33 C ATOM 410 O TYR A 28 -2.779 4.237 -3.557 1.00 55.24 O ATOM 411 CB TYR A 28 -5.243 4.485 -5.420 1.00 70.11 C ATOM 412 CG TYR A 28 -6.558 3.974 -6.039 1.00 61.23 C ATOM 413 CD1 TYR A 28 -6.791 4.053 -7.412 1.00 54.43 C ATOM 414 CD2 TYR A 28 -7.566 3.414 -5.246 1.00 72.41 C ATOM 415 CE1 TYR A 28 -7.973 3.608 -7.968 1.00 62.15 C ATOM 416 CE2 TYR A 28 -8.742 2.964 -5.804 1.00 2.24 C ATOM 417 CZ TYR A 28 -8.940 3.060 -7.161 1.00 35.52 C ATOM 418 OH TYR A 28 -10.121 2.622 -7.712 1.00 4.23 O ATOM 0 H TYR A 28 -4.737 2.425 -3.658 1.00 14.41 H new ATOM 0 HA TYR A 28 -3.862 3.134 -6.414 1.00 74.14 H new ATOM 0 HB2 TYR A 28 -5.441 4.813 -4.400 1.00 70.11 H new ATOM 0 HB3 TYR A 28 -4.911 5.360 -5.978 1.00 70.11 H new ATOM 0 HD1 TYR A 28 -6.030 4.471 -8.054 1.00 54.43 H new ATOM 0 HD2 TYR A 28 -7.419 3.333 -4.179 1.00 72.41 H new ATOM 0 HE1 TYR A 28 -8.137 3.690 -9.032 1.00 62.15 H new ATOM 0 HE2 TYR A 28 -9.509 2.536 -5.175 1.00 2.24 H new ATOM 0 HH TYR A 28 -9.962 2.322 -8.631 1.00 4.23 H new ATOM 428 N LYS A 29 -1.843 4.469 -5.576 1.00 25.12 N ATOM 429 CA LYS A 29 -0.656 5.232 -5.105 1.00 75.44 C ATOM 430 C LYS A 29 -0.584 6.586 -5.831 1.00 45.42 C ATOM 431 O LYS A 29 -0.678 6.633 -7.057 1.00 12.11 O ATOM 432 CB LYS A 29 0.639 4.415 -5.323 1.00 71.14 C ATOM 433 CG LYS A 29 1.977 5.173 -5.082 1.00 13.31 C ATOM 434 CD LYS A 29 2.139 5.721 -3.638 1.00 3.31 C ATOM 435 CE LYS A 29 3.609 6.013 -3.263 1.00 22.25 C ATOM 436 NZ LYS A 29 4.276 6.970 -4.168 1.00 24.53 N ATOM 0 H LYS A 29 -1.830 4.265 -6.575 1.00 25.12 H new ATOM 0 HA LYS A 29 -0.755 5.417 -4.035 1.00 75.44 H new ATOM 0 HB2 LYS A 29 0.613 3.548 -4.663 1.00 71.14 H new ATOM 0 HB3 LYS A 29 0.638 4.037 -6.346 1.00 71.14 H new ATOM 0 HG2 LYS A 29 2.808 4.502 -5.301 1.00 13.31 H new ATOM 0 HG3 LYS A 29 2.044 6.003 -5.785 1.00 13.31 H new ATOM 0 HD2 LYS A 29 1.555 6.636 -3.535 1.00 3.31 H new ATOM 0 HD3 LYS A 29 1.727 4.999 -2.933 1.00 3.31 H new ATOM 0 HE2 LYS A 29 3.644 6.404 -2.246 1.00 22.25 H new ATOM 0 HE3 LYS A 29 4.167 5.077 -3.264 1.00 22.25 H new ATOM 0 HZ1 LYS A 29 5.202 6.591 -4.453 1.00 24.53 H new ATOM 0 HZ2 LYS A 29 3.687 7.117 -5.013 1.00 24.53 H new ATOM 0 HZ3 LYS A 29 4.409 7.877 -3.677 1.00 24.53 H new ATOM 450 N ASP A 30 -0.462 7.678 -5.043 1.00 2.23 N ATOM 451 CA ASP A 30 -0.345 9.076 -5.545 1.00 32.11 C ATOM 452 C ASP A 30 -1.598 9.572 -6.325 1.00 0.52 C ATOM 453 O ASP A 30 -1.593 10.692 -6.855 1.00 34.03 O ATOM 454 CB ASP A 30 0.940 9.265 -6.405 1.00 21.20 C ATOM 455 CG ASP A 30 2.247 8.982 -5.657 1.00 53.24 C ATOM 456 OD1 ASP A 30 2.340 9.275 -4.441 1.00 34.41 O ATOM 457 OD2 ASP A 30 3.196 8.455 -6.272 1.00 13.44 O ATOM 0 H ASP A 30 -0.441 7.618 -4.025 1.00 2.23 H new ATOM 0 HA ASP A 30 -0.272 9.697 -4.652 1.00 32.11 H new ATOM 0 HB2 ASP A 30 0.882 8.608 -7.273 1.00 21.20 H new ATOM 0 HB3 ASP A 30 0.964 10.288 -6.781 1.00 21.20 H new ATOM 462 N GLY A 31 -2.675 8.761 -6.364 1.00 42.10 N ATOM 463 CA GLY A 31 -3.889 9.096 -7.119 1.00 3.32 C ATOM 464 C GLY A 31 -4.394 7.967 -8.021 1.00 44.34 C ATOM 465 O GLY A 31 -5.591 7.920 -8.327 1.00 3.52 O ATOM 0 H GLY A 31 -2.723 7.866 -5.877 1.00 42.10 H new ATOM 0 HA2 GLY A 31 -4.678 9.366 -6.417 1.00 3.32 H new ATOM 0 HA3 GLY A 31 -3.692 9.976 -7.732 1.00 3.32 H new ATOM 469 N GLU A 32 -3.506 7.040 -8.456 1.00 41.35 N ATOM 470 CA GLU A 32 -3.880 6.009 -9.467 1.00 13.04 C ATOM 471 C GLU A 32 -3.468 4.594 -9.037 1.00 2.21 C ATOM 472 O GLU A 32 -2.460 4.406 -8.360 1.00 4.20 O ATOM 473 CB GLU A 32 -3.284 6.328 -10.867 1.00 3.35 C ATOM 474 CG GLU A 32 -1.744 6.194 -11.014 1.00 14.12 C ATOM 475 CD GLU A 32 -0.919 7.261 -10.265 1.00 11.43 C ATOM 476 OE1 GLU A 32 -1.376 8.419 -10.155 1.00 15.42 O ATOM 477 OE2 GLU A 32 0.206 6.959 -9.825 1.00 5.25 O ATOM 0 H GLU A 32 -2.541 6.981 -8.132 1.00 41.35 H new ATOM 0 HA GLU A 32 -4.967 6.040 -9.536 1.00 13.04 H new ATOM 0 HB2 GLU A 32 -3.754 5.668 -11.596 1.00 3.35 H new ATOM 0 HB3 GLU A 32 -3.564 7.347 -11.132 1.00 3.35 H new ATOM 0 HG2 GLU A 32 -1.445 5.209 -10.656 1.00 14.12 H new ATOM 0 HG3 GLU A 32 -1.491 6.239 -12.073 1.00 14.12 H new ATOM 484 N ARG A 33 -4.250 3.604 -9.498 1.00 34.15 N ATOM 485 CA ARG A 33 -4.172 2.207 -9.021 1.00 11.50 C ATOM 486 C ARG A 33 -2.864 1.468 -9.392 1.00 14.24 C ATOM 487 O ARG A 33 -2.180 1.817 -10.350 1.00 30.12 O ATOM 488 CB ARG A 33 -5.401 1.362 -9.467 1.00 61.22 C ATOM 489 CG ARG A 33 -5.514 1.074 -10.986 1.00 72.52 C ATOM 490 CD ARG A 33 -6.093 2.256 -11.778 1.00 63.53 C ATOM 491 NE ARG A 33 -6.168 1.979 -13.223 1.00 24.51 N ATOM 492 CZ ARG A 33 -7.187 2.266 -14.008 1.00 51.05 C ATOM 493 NH1 ARG A 33 -8.281 2.779 -13.534 1.00 32.12 N ATOM 494 NH2 ARG A 33 -7.106 2.010 -15.270 1.00 11.04 N ATOM 0 H ARG A 33 -4.959 3.748 -10.217 1.00 34.15 H new ATOM 0 HA ARG A 33 -4.176 2.303 -7.935 1.00 11.50 H new ATOM 0 HB2 ARG A 33 -5.373 0.409 -8.938 1.00 61.22 H new ATOM 0 HB3 ARG A 33 -6.306 1.878 -9.147 1.00 61.22 H new ATOM 0 HG2 ARG A 33 -4.527 0.829 -11.378 1.00 72.52 H new ATOM 0 HG3 ARG A 33 -6.144 0.198 -11.138 1.00 72.52 H new ATOM 0 HD2 ARG A 33 -7.090 2.488 -11.403 1.00 63.53 H new ATOM 0 HD3 ARG A 33 -5.476 3.139 -11.611 1.00 63.53 H new ATOM 0 HE ARG A 33 -5.362 1.526 -13.653 1.00 24.51 H new ATOM 0 HH11 ARG A 33 -8.365 2.968 -12.535 1.00 32.12 H new ATOM 0 HH12 ARG A 33 -9.057 2.993 -14.160 1.00 32.12 H new ATOM 0 HH21 ARG A 33 -6.259 1.589 -15.652 1.00 11.04 H new ATOM 0 HH22 ARG A 33 -7.889 2.228 -15.886 1.00 11.04 H new ATOM 508 N LEU A 34 -2.536 0.454 -8.570 1.00 3.43 N ATOM 509 CA LEU A 34 -1.391 -0.458 -8.771 1.00 74.53 C ATOM 510 C LEU A 34 -1.876 -1.822 -9.329 1.00 4.04 C ATOM 511 O LEU A 34 -3.061 -2.155 -9.233 1.00 50.25 O ATOM 512 CB LEU A 34 -0.633 -0.673 -7.427 1.00 50.41 C ATOM 513 CG LEU A 34 -0.110 0.615 -6.704 1.00 14.51 C ATOM 514 CD1 LEU A 34 0.844 0.262 -5.550 1.00 71.02 C ATOM 515 CD2 LEU A 34 0.565 1.594 -7.699 1.00 34.44 C ATOM 0 H LEU A 34 -3.071 0.240 -7.728 1.00 3.43 H new ATOM 0 HA LEU A 34 -0.712 -0.006 -9.494 1.00 74.53 H new ATOM 0 HB2 LEU A 34 -1.296 -1.203 -6.743 1.00 50.41 H new ATOM 0 HB3 LEU A 34 0.218 -1.327 -7.616 1.00 50.41 H new ATOM 0 HG LEU A 34 -0.978 1.120 -6.280 1.00 14.51 H new ATOM 0 HD11 LEU A 34 1.189 1.178 -5.070 1.00 71.02 H new ATOM 0 HD12 LEU A 34 0.320 -0.355 -4.820 1.00 71.02 H new ATOM 0 HD13 LEU A 34 1.701 -0.287 -5.941 1.00 71.02 H new ATOM 0 HD21 LEU A 34 0.915 2.475 -7.161 1.00 34.44 H new ATOM 0 HD22 LEU A 34 1.411 1.101 -8.177 1.00 34.44 H new ATOM 0 HD23 LEU A 34 -0.156 1.895 -8.459 1.00 34.44 H new ATOM 527 N ALA A 35 -0.941 -2.605 -9.900 1.00 51.32 N ATOM 528 CA ALA A 35 -1.221 -3.957 -10.451 1.00 41.54 C ATOM 529 C ALA A 35 -0.239 -4.994 -9.866 1.00 50.34 C ATOM 530 O ALA A 35 0.877 -4.638 -9.483 1.00 50.43 O ATOM 531 CB ALA A 35 -1.134 -3.925 -11.986 1.00 64.34 C ATOM 0 H ALA A 35 0.034 -2.323 -9.995 1.00 51.32 H new ATOM 0 HA ALA A 35 -2.231 -4.253 -10.166 1.00 41.54 H new ATOM 0 HB1 ALA A 35 -1.340 -4.919 -12.383 1.00 64.34 H new ATOM 0 HB2 ALA A 35 -1.866 -3.219 -12.377 1.00 64.34 H new ATOM 0 HB3 ALA A 35 -0.134 -3.614 -12.287 1.00 64.34 H new ATOM 537 N SER A 36 -0.664 -6.276 -9.802 1.00 3.14 N ATOM 538 CA SER A 36 0.164 -7.380 -9.252 1.00 51.32 C ATOM 539 C SER A 36 1.335 -7.725 -10.209 1.00 54.54 C ATOM 540 O SER A 36 1.242 -8.613 -11.062 1.00 44.51 O ATOM 541 CB SER A 36 -0.711 -8.628 -8.945 1.00 41.43 C ATOM 542 OG SER A 36 -1.347 -9.132 -10.109 1.00 44.42 O ATOM 0 H SER A 36 -1.583 -6.576 -10.127 1.00 3.14 H new ATOM 0 HA SER A 36 0.599 -7.044 -8.311 1.00 51.32 H new ATOM 0 HB2 SER A 36 -0.089 -9.408 -8.506 1.00 41.43 H new ATOM 0 HB3 SER A 36 -1.466 -8.367 -8.203 1.00 41.43 H new ATOM 0 HG SER A 36 -0.724 -9.095 -10.864 1.00 44.42 H new ATOM 548 N GLN A 37 2.420 -6.943 -10.088 1.00 21.14 N ATOM 549 CA GLN A 37 3.650 -7.098 -10.898 1.00 42.54 C ATOM 550 C GLN A 37 4.830 -7.590 -10.018 1.00 62.40 C ATOM 551 O GLN A 37 4.663 -7.807 -8.813 1.00 55.41 O ATOM 552 CB GLN A 37 3.981 -5.739 -11.571 1.00 42.35 C ATOM 553 CG GLN A 37 2.832 -5.157 -12.422 1.00 63.03 C ATOM 554 CD GLN A 37 3.186 -3.837 -13.111 1.00 1.42 C ATOM 555 OE1 GLN A 37 2.981 -2.755 -12.565 1.00 75.34 O ATOM 556 NE2 GLN A 37 3.735 -3.913 -14.312 1.00 65.43 N ATOM 0 H GLN A 37 2.473 -6.175 -9.419 1.00 21.14 H new ATOM 0 HA GLN A 37 3.488 -7.850 -11.670 1.00 42.54 H new ATOM 0 HB2 GLN A 37 4.246 -5.018 -10.797 1.00 42.35 H new ATOM 0 HB3 GLN A 37 4.859 -5.864 -12.204 1.00 42.35 H new ATOM 0 HG2 GLN A 37 2.547 -5.887 -13.179 1.00 63.03 H new ATOM 0 HG3 GLN A 37 1.962 -5.002 -11.784 1.00 63.03 H new ATOM 0 HE21 GLN A 37 3.895 -4.824 -14.743 1.00 65.43 H new ATOM 0 HE22 GLN A 37 3.999 -3.061 -14.807 1.00 65.43 H new ATOM 565 N GLY A 38 6.024 -7.746 -10.631 1.00 21.14 N ATOM 566 CA GLY A 38 7.228 -8.247 -9.930 1.00 51.20 C ATOM 567 C GLY A 38 7.666 -7.381 -8.739 1.00 23.44 C ATOM 568 O GLY A 38 8.039 -7.898 -7.678 1.00 14.32 O ATOM 0 H GLY A 38 6.180 -7.531 -11.616 1.00 21.14 H new ATOM 0 HA2 GLY A 38 7.035 -9.260 -9.577 1.00 51.20 H new ATOM 0 HA3 GLY A 38 8.051 -8.309 -10.642 1.00 51.20 H new ATOM 572 N ARG A 39 7.611 -6.054 -8.921 1.00 32.25 N ATOM 573 CA ARG A 39 7.967 -5.070 -7.871 1.00 52.30 C ATOM 574 C ARG A 39 6.744 -4.669 -7.012 1.00 61.33 C ATOM 575 O ARG A 39 6.902 -4.066 -5.954 1.00 14.45 O ATOM 576 CB ARG A 39 8.596 -3.809 -8.517 1.00 1.10 C ATOM 577 CG ARG A 39 9.869 -4.087 -9.346 1.00 22.21 C ATOM 578 CD ARG A 39 10.414 -2.821 -10.031 1.00 3.53 C ATOM 579 NE ARG A 39 9.448 -2.238 -10.990 1.00 61.04 N ATOM 580 CZ ARG A 39 9.124 -0.964 -11.085 1.00 2.51 C ATOM 581 NH1 ARG A 39 9.595 -0.081 -10.268 1.00 62.33 N ATOM 582 NH2 ARG A 39 8.310 -0.585 -12.008 1.00 32.34 N ATOM 0 H ARG A 39 7.319 -5.625 -9.799 1.00 32.25 H new ATOM 0 HA ARG A 39 8.692 -5.544 -7.210 1.00 52.30 H new ATOM 0 HB2 ARG A 39 7.854 -3.336 -9.160 1.00 1.10 H new ATOM 0 HB3 ARG A 39 8.838 -3.094 -7.730 1.00 1.10 H new ATOM 0 HG2 ARG A 39 10.638 -4.504 -8.696 1.00 22.21 H new ATOM 0 HG3 ARG A 39 9.649 -4.840 -10.103 1.00 22.21 H new ATOM 0 HD2 ARG A 39 10.662 -2.079 -9.272 1.00 3.53 H new ATOM 0 HD3 ARG A 39 11.339 -3.064 -10.554 1.00 3.53 H new ATOM 0 HE ARG A 39 8.991 -2.881 -11.636 1.00 61.04 H new ATOM 0 HH11 ARG A 39 10.235 -0.363 -9.526 1.00 62.33 H new ATOM 0 HH12 ARG A 39 9.327 0.898 -10.365 1.00 62.33 H new ATOM 0 HH21 ARG A 39 7.922 -1.269 -12.658 1.00 32.34 H new ATOM 0 HH22 ARG A 39 8.053 0.399 -12.089 1.00 32.34 H new ATOM 596 N VAL A 40 5.523 -4.986 -7.487 1.00 73.52 N ATOM 597 CA VAL A 40 4.258 -4.621 -6.800 1.00 54.42 C ATOM 598 C VAL A 40 3.404 -5.898 -6.553 1.00 42.13 C ATOM 599 O VAL A 40 2.517 -6.235 -7.337 1.00 14.01 O ATOM 600 CB VAL A 40 3.452 -3.544 -7.636 1.00 71.20 C ATOM 601 CG1 VAL A 40 2.156 -3.111 -6.913 1.00 15.45 C ATOM 602 CG2 VAL A 40 4.330 -2.306 -7.978 1.00 71.15 C ATOM 0 H VAL A 40 5.381 -5.501 -8.356 1.00 73.52 H new ATOM 0 HA VAL A 40 4.497 -4.173 -5.836 1.00 54.42 H new ATOM 0 HB VAL A 40 3.168 -4.022 -8.573 1.00 71.20 H new ATOM 0 HG11 VAL A 40 1.631 -2.372 -7.518 1.00 15.45 H new ATOM 0 HG12 VAL A 40 1.515 -3.980 -6.765 1.00 15.45 H new ATOM 0 HG13 VAL A 40 2.407 -2.676 -5.946 1.00 15.45 H new ATOM 0 HG21 VAL A 40 3.742 -1.590 -8.552 1.00 71.15 H new ATOM 0 HG22 VAL A 40 4.673 -1.837 -7.056 1.00 71.15 H new ATOM 0 HG23 VAL A 40 5.191 -2.622 -8.566 1.00 71.15 H new ATOM 612 N GLN A 41 3.723 -6.637 -5.476 1.00 42.54 N ATOM 613 CA GLN A 41 3.070 -7.933 -5.154 1.00 62.30 C ATOM 614 C GLN A 41 1.756 -7.713 -4.361 1.00 73.25 C ATOM 615 O GLN A 41 1.758 -7.045 -3.322 1.00 32.03 O ATOM 616 CB GLN A 41 4.047 -8.833 -4.356 1.00 21.01 C ATOM 617 CG GLN A 41 5.412 -9.050 -5.035 1.00 3.24 C ATOM 618 CD GLN A 41 6.337 -9.964 -4.234 1.00 40.44 C ATOM 619 OE1 GLN A 41 6.330 -11.174 -4.405 1.00 75.40 O ATOM 620 NE2 GLN A 41 7.123 -9.401 -3.334 1.00 13.33 N ATOM 0 H GLN A 41 4.437 -6.360 -4.802 1.00 42.54 H new ATOM 0 HA GLN A 41 2.814 -8.432 -6.088 1.00 62.30 H new ATOM 0 HB2 GLN A 41 4.210 -8.389 -3.374 1.00 21.01 H new ATOM 0 HB3 GLN A 41 3.577 -9.803 -4.194 1.00 21.01 H new ATOM 0 HG2 GLN A 41 5.255 -9.478 -6.025 1.00 3.24 H new ATOM 0 HG3 GLN A 41 5.898 -8.085 -5.178 1.00 3.24 H new ATOM 0 HE21 GLN A 41 7.112 -8.389 -3.209 1.00 13.33 H new ATOM 0 HE22 GLN A 41 7.741 -9.978 -2.764 1.00 13.33 H new ATOM 629 N LEU A 42 0.637 -8.277 -4.863 1.00 55.31 N ATOM 630 CA LEU A 42 -0.711 -8.099 -4.265 1.00 0.35 C ATOM 631 C LEU A 42 -1.323 -9.440 -3.794 1.00 32.31 C ATOM 632 O LEU A 42 -1.881 -10.188 -4.607 1.00 33.31 O ATOM 633 CB LEU A 42 -1.667 -7.400 -5.286 1.00 23.10 C ATOM 634 CG LEU A 42 -1.340 -5.909 -5.630 1.00 73.11 C ATOM 635 CD1 LEU A 42 -2.303 -5.349 -6.708 1.00 40.43 C ATOM 636 CD2 LEU A 42 -1.371 -5.037 -4.354 1.00 63.34 C ATOM 0 H LEU A 42 0.639 -8.869 -5.694 1.00 55.31 H new ATOM 0 HA LEU A 42 -0.595 -7.467 -3.385 1.00 0.35 H new ATOM 0 HB2 LEU A 42 -1.659 -7.975 -6.212 1.00 23.10 H new ATOM 0 HB3 LEU A 42 -2.682 -7.446 -4.892 1.00 23.10 H new ATOM 0 HG LEU A 42 -0.332 -5.876 -6.045 1.00 73.11 H new ATOM 0 HD11 LEU A 42 -2.046 -4.311 -6.922 1.00 40.43 H new ATOM 0 HD12 LEU A 42 -2.213 -5.940 -7.619 1.00 40.43 H new ATOM 0 HD13 LEU A 42 -3.328 -5.401 -6.342 1.00 40.43 H new ATOM 0 HD21 LEU A 42 -1.141 -4.004 -4.614 1.00 63.34 H new ATOM 0 HD22 LEU A 42 -2.362 -5.086 -3.904 1.00 63.34 H new ATOM 0 HD23 LEU A 42 -0.631 -5.406 -3.643 1.00 63.34 H new ATOM 648 N GLU A 43 -1.193 -9.764 -2.487 1.00 3.14 N ATOM 649 CA GLU A 43 -1.995 -10.849 -1.866 1.00 62.02 C ATOM 650 C GLU A 43 -3.352 -10.268 -1.407 1.00 31.52 C ATOM 651 O GLU A 43 -3.471 -9.689 -0.323 1.00 2.14 O ATOM 652 CB GLU A 43 -1.267 -11.530 -0.668 1.00 51.33 C ATOM 653 CG GLU A 43 0.018 -12.317 -1.024 1.00 22.20 C ATOM 654 CD GLU A 43 1.299 -11.461 -1.055 1.00 73.33 C ATOM 655 OE1 GLU A 43 1.560 -10.781 -2.077 1.00 14.31 O ATOM 656 OE2 GLU A 43 2.055 -11.485 -0.062 1.00 34.02 O ATOM 0 H GLU A 43 -0.550 -9.298 -1.847 1.00 3.14 H new ATOM 0 HA GLU A 43 -2.145 -11.625 -2.617 1.00 62.02 H new ATOM 0 HB2 GLU A 43 -1.010 -10.762 0.062 1.00 51.33 H new ATOM 0 HB3 GLU A 43 -1.965 -12.211 -0.182 1.00 51.33 H new ATOM 0 HG2 GLU A 43 0.150 -13.121 -0.300 1.00 22.20 H new ATOM 0 HG3 GLU A 43 -0.115 -12.785 -1.999 1.00 22.20 H new ATOM 663 N GLN A 44 -4.370 -10.435 -2.251 1.00 31.41 N ATOM 664 CA GLN A 44 -5.692 -9.802 -2.076 1.00 23.15 C ATOM 665 C GLN A 44 -6.777 -10.854 -1.737 1.00 54.02 C ATOM 666 O GLN A 44 -7.095 -11.726 -2.545 1.00 11.23 O ATOM 667 CB GLN A 44 -6.034 -8.966 -3.347 1.00 13.33 C ATOM 668 CG GLN A 44 -5.721 -9.649 -4.699 1.00 73.33 C ATOM 669 CD GLN A 44 -6.074 -8.792 -5.925 1.00 22.14 C ATOM 670 OE1 GLN A 44 -7.162 -8.037 -5.859 1.00 71.43 O flip ATOM 671 NE2 GLN A 44 -5.402 -8.850 -6.951 1.00 54.10 N flip ATOM 0 H GLN A 44 -4.307 -11.018 -3.086 1.00 31.41 H new ATOM 0 HA GLN A 44 -5.663 -9.121 -1.225 1.00 23.15 H new ATOM 0 HB2 GLN A 44 -7.095 -8.718 -3.322 1.00 13.33 H new ATOM 0 HB3 GLN A 44 -5.486 -8.025 -3.300 1.00 13.33 H new ATOM 0 HG2 GLN A 44 -4.660 -9.896 -4.733 1.00 73.33 H new ATOM 0 HG3 GLN A 44 -6.269 -10.590 -4.755 1.00 73.33 H new ATOM 0 HE21 GLN A 44 -4.568 -9.437 -6.982 1.00 54.10 H new ATOM 0 HE22 GLN A 44 -5.678 -8.311 -7.772 1.00 54.10 H new ATOM 680 N ALA A 45 -7.316 -10.762 -0.509 1.00 24.12 N ATOM 681 CA ALA A 45 -8.311 -11.718 0.046 1.00 71.20 C ATOM 682 C ALA A 45 -9.559 -10.969 0.600 1.00 21.13 C ATOM 683 O ALA A 45 -9.867 -9.862 0.162 1.00 74.24 O ATOM 684 CB ALA A 45 -7.618 -12.555 1.142 1.00 33.40 C ATOM 0 H ALA A 45 -7.075 -10.014 0.141 1.00 24.12 H new ATOM 0 HA ALA A 45 -8.671 -12.379 -0.742 1.00 71.20 H new ATOM 0 HB1 ALA A 45 -8.331 -13.264 1.564 1.00 33.40 H new ATOM 0 HB2 ALA A 45 -6.779 -13.099 0.708 1.00 33.40 H new ATOM 0 HB3 ALA A 45 -7.255 -11.894 1.929 1.00 33.40 H new ATOM 690 N GLY A 46 -10.312 -11.613 1.516 1.00 4.51 N ATOM 691 CA GLY A 46 -11.418 -10.952 2.234 1.00 34.11 C ATOM 692 C GLY A 46 -10.915 -10.115 3.421 1.00 70.14 C ATOM 693 O GLY A 46 -10.410 -10.686 4.396 1.00 53.21 O ATOM 0 H GLY A 46 -10.173 -12.590 1.775 1.00 4.51 H new ATOM 0 HA2 GLY A 46 -11.966 -10.310 1.544 1.00 34.11 H new ATOM 0 HA3 GLY A 46 -12.119 -11.706 2.593 1.00 34.11 H new ATOM 697 N ALA A 47 -11.039 -8.767 3.301 1.00 11.45 N ATOM 698 CA ALA A 47 -10.545 -7.748 4.282 1.00 51.20 C ATOM 699 C ALA A 47 -9.000 -7.588 4.254 1.00 23.21 C ATOM 700 O ALA A 47 -8.485 -6.465 4.132 1.00 65.14 O ATOM 701 CB ALA A 47 -11.070 -7.996 5.714 1.00 12.43 C ATOM 0 H ALA A 47 -11.499 -8.340 2.497 1.00 11.45 H new ATOM 0 HA ALA A 47 -10.964 -6.797 3.954 1.00 51.20 H new ATOM 0 HB1 ALA A 47 -10.681 -7.228 6.382 1.00 12.43 H new ATOM 0 HB2 ALA A 47 -12.159 -7.958 5.714 1.00 12.43 H new ATOM 0 HB3 ALA A 47 -10.741 -8.977 6.057 1.00 12.43 H new ATOM 707 N ARG A 48 -8.277 -8.717 4.385 1.00 42.15 N ATOM 708 CA ARG A 48 -6.807 -8.769 4.252 1.00 63.24 C ATOM 709 C ARG A 48 -6.356 -8.460 2.801 1.00 30.15 C ATOM 710 O ARG A 48 -6.467 -9.301 1.903 1.00 73.24 O ATOM 711 CB ARG A 48 -6.270 -10.148 4.731 1.00 50.42 C ATOM 712 CG ARG A 48 -4.763 -10.384 4.454 1.00 32.43 C ATOM 713 CD ARG A 48 -4.240 -11.731 5.004 1.00 20.11 C ATOM 714 NE ARG A 48 -3.025 -12.181 4.293 1.00 51.23 N ATOM 715 CZ ARG A 48 -1.781 -11.994 4.674 1.00 60.32 C ATOM 716 NH1 ARG A 48 -1.480 -11.370 5.771 1.00 40.41 N ATOM 717 NH2 ARG A 48 -0.833 -12.444 3.935 1.00 22.20 N ATOM 0 H ARG A 48 -8.698 -9.624 4.587 1.00 42.15 H new ATOM 0 HA ARG A 48 -6.381 -7.995 4.890 1.00 63.24 H new ATOM 0 HB2 ARG A 48 -6.448 -10.241 5.802 1.00 50.42 H new ATOM 0 HB3 ARG A 48 -6.844 -10.936 4.243 1.00 50.42 H new ATOM 0 HG2 ARG A 48 -4.589 -10.347 3.379 1.00 32.43 H new ATOM 0 HG3 ARG A 48 -4.188 -9.571 4.898 1.00 32.43 H new ATOM 0 HD2 ARG A 48 -4.022 -11.629 6.067 1.00 20.11 H new ATOM 0 HD3 ARG A 48 -5.018 -12.489 4.909 1.00 20.11 H new ATOM 0 HE ARG A 48 -3.166 -12.688 3.419 1.00 51.23 H new ATOM 0 HH11 ARG A 48 -2.221 -11.006 6.370 1.00 40.41 H new ATOM 0 HH12 ARG A 48 -0.503 -11.244 6.034 1.00 40.41 H new ATOM 0 HH21 ARG A 48 -1.051 -12.937 3.069 1.00 22.20 H new ATOM 0 HH22 ARG A 48 0.139 -12.309 4.214 1.00 22.20 H new ATOM 731 N GLN A 49 -5.897 -7.217 2.585 1.00 74.44 N ATOM 732 CA GLN A 49 -5.267 -6.781 1.317 1.00 35.22 C ATOM 733 C GLN A 49 -3.775 -6.498 1.577 1.00 71.41 C ATOM 734 O GLN A 49 -3.448 -5.734 2.480 1.00 22.13 O ATOM 735 CB GLN A 49 -5.968 -5.501 0.783 1.00 41.35 C ATOM 736 CG GLN A 49 -7.507 -5.575 0.725 1.00 24.35 C ATOM 737 CD GLN A 49 -8.062 -6.688 -0.170 1.00 35.23 C ATOM 738 OE1 GLN A 49 -7.464 -7.067 -1.170 1.00 42.31 O ATOM 739 NE2 GLN A 49 -9.223 -7.203 0.173 1.00 65.25 N ATOM 0 H GLN A 49 -5.950 -6.478 3.286 1.00 74.44 H new ATOM 0 HA GLN A 49 -5.368 -7.566 0.567 1.00 35.22 H new ATOM 0 HB2 GLN A 49 -5.684 -4.659 1.414 1.00 41.35 H new ATOM 0 HB3 GLN A 49 -5.592 -5.290 -0.218 1.00 41.35 H new ATOM 0 HG2 GLN A 49 -7.889 -5.717 1.736 1.00 24.35 H new ATOM 0 HG3 GLN A 49 -7.890 -4.618 0.371 1.00 24.35 H new ATOM 0 HE21 GLN A 49 -9.701 -6.870 1.010 1.00 65.25 H new ATOM 0 HE22 GLN A 49 -9.645 -7.935 -0.398 1.00 65.25 H new ATOM 748 N VAL A 50 -2.873 -7.126 0.805 1.00 50.20 N ATOM 749 CA VAL A 50 -1.409 -6.997 1.015 1.00 73.04 C ATOM 750 C VAL A 50 -0.728 -6.359 -0.220 1.00 51.31 C ATOM 751 O VAL A 50 -0.667 -6.972 -1.283 1.00 71.34 O ATOM 752 CB VAL A 50 -0.753 -8.394 1.336 1.00 22.15 C ATOM 753 CG1 VAL A 50 0.763 -8.267 1.614 1.00 63.32 C ATOM 754 CG2 VAL A 50 -1.474 -9.094 2.515 1.00 22.31 C ATOM 0 H VAL A 50 -3.127 -7.732 0.025 1.00 50.20 H new ATOM 0 HA VAL A 50 -1.257 -6.343 1.873 1.00 73.04 H new ATOM 0 HB VAL A 50 -0.872 -9.016 0.449 1.00 22.15 H new ATOM 0 HG11 VAL A 50 1.177 -9.252 1.831 1.00 63.32 H new ATOM 0 HG12 VAL A 50 1.260 -7.849 0.738 1.00 63.32 H new ATOM 0 HG13 VAL A 50 0.922 -7.610 2.469 1.00 63.32 H new ATOM 0 HG21 VAL A 50 -0.999 -10.055 2.713 1.00 22.31 H new ATOM 0 HG22 VAL A 50 -1.410 -8.467 3.405 1.00 22.31 H new ATOM 0 HG23 VAL A 50 -2.521 -9.253 2.258 1.00 22.31 H new ATOM 764 N LEU A 51 -0.243 -5.113 -0.061 1.00 42.12 N ATOM 765 CA LEU A 51 0.554 -4.401 -1.091 1.00 54.40 C ATOM 766 C LEU A 51 2.049 -4.439 -0.702 1.00 63.03 C ATOM 767 O LEU A 51 2.433 -3.939 0.348 1.00 51.31 O ATOM 768 CB LEU A 51 0.014 -2.937 -1.258 1.00 42.11 C ATOM 769 CG LEU A 51 0.769 -1.942 -2.231 1.00 4.40 C ATOM 770 CD1 LEU A 51 1.957 -1.241 -1.537 1.00 31.33 C ATOM 771 CD2 LEU A 51 1.223 -2.654 -3.520 1.00 71.44 C ATOM 0 H LEU A 51 -0.391 -4.566 0.787 1.00 42.12 H new ATOM 0 HA LEU A 51 0.454 -4.895 -2.058 1.00 54.40 H new ATOM 0 HB2 LEU A 51 -1.020 -3.005 -1.596 1.00 42.11 H new ATOM 0 HB3 LEU A 51 -0.004 -2.479 -0.269 1.00 42.11 H new ATOM 0 HG LEU A 51 0.054 -1.167 -2.508 1.00 4.40 H new ATOM 0 HD11 LEU A 51 2.445 -0.568 -2.242 1.00 31.33 H new ATOM 0 HD12 LEU A 51 1.594 -0.670 -0.683 1.00 31.33 H new ATOM 0 HD13 LEU A 51 2.672 -1.989 -1.195 1.00 31.33 H new ATOM 0 HD21 LEU A 51 1.738 -1.943 -4.166 1.00 71.44 H new ATOM 0 HD22 LEU A 51 1.900 -3.470 -3.266 1.00 71.44 H new ATOM 0 HD23 LEU A 51 0.353 -3.053 -4.041 1.00 71.44 H new ATOM 783 N ARG A 52 2.890 -5.010 -1.581 1.00 63.15 N ATOM 784 CA ARG A 52 4.334 -5.183 -1.320 1.00 35.42 C ATOM 785 C ARG A 52 5.182 -4.458 -2.383 1.00 44.34 C ATOM 786 O ARG A 52 5.226 -4.884 -3.542 1.00 13.43 O ATOM 787 CB ARG A 52 4.679 -6.691 -1.290 1.00 74.10 C ATOM 788 CG ARG A 52 3.882 -7.491 -0.243 1.00 15.14 C ATOM 789 CD ARG A 52 4.056 -9.002 -0.393 1.00 34.42 C ATOM 790 NE ARG A 52 5.443 -9.439 -0.214 1.00 2.25 N ATOM 791 CZ ARG A 52 5.843 -10.688 -0.192 1.00 62.23 C ATOM 792 NH1 ARG A 52 5.013 -11.672 -0.368 1.00 70.33 N ATOM 793 NH2 ARG A 52 7.090 -10.938 0.007 1.00 63.12 N ATOM 0 H ARG A 52 2.592 -5.364 -2.490 1.00 63.15 H new ATOM 0 HA ARG A 52 4.567 -4.740 -0.352 1.00 35.42 H new ATOM 0 HB2 ARG A 52 4.494 -7.116 -2.276 1.00 74.10 H new ATOM 0 HB3 ARG A 52 5.744 -6.806 -1.088 1.00 74.10 H new ATOM 0 HG2 ARG A 52 4.200 -7.191 0.756 1.00 15.14 H new ATOM 0 HG3 ARG A 52 2.825 -7.241 -0.330 1.00 15.14 H new ATOM 0 HD2 ARG A 52 3.424 -9.509 0.336 1.00 34.42 H new ATOM 0 HD3 ARG A 52 3.710 -9.306 -1.381 1.00 34.42 H new ATOM 0 HE ARG A 52 6.153 -8.716 -0.097 1.00 2.25 H new ATOM 0 HH11 ARG A 52 4.024 -11.482 -0.528 1.00 70.33 H new ATOM 0 HH12 ARG A 52 5.351 -12.634 -0.346 1.00 70.33 H new ATOM 0 HH21 ARG A 52 7.748 -10.171 0.144 1.00 63.12 H new ATOM 0 HH22 ARG A 52 7.420 -11.903 0.027 1.00 63.12 H new ATOM 807 N VAL A 53 5.841 -3.356 -1.982 1.00 40.21 N ATOM 808 CA VAL A 53 6.779 -2.627 -2.861 1.00 1.53 C ATOM 809 C VAL A 53 8.227 -3.139 -2.660 1.00 31.14 C ATOM 810 O VAL A 53 8.819 -2.983 -1.586 1.00 41.13 O ATOM 811 CB VAL A 53 6.718 -1.072 -2.639 1.00 52.53 C ATOM 812 CG1 VAL A 53 7.708 -0.341 -3.574 1.00 21.12 C ATOM 813 CG2 VAL A 53 5.280 -0.534 -2.840 1.00 41.00 C ATOM 0 H VAL A 53 5.742 -2.948 -1.052 1.00 40.21 H new ATOM 0 HA VAL A 53 6.469 -2.823 -3.887 1.00 1.53 H new ATOM 0 HB VAL A 53 7.011 -0.873 -1.608 1.00 52.53 H new ATOM 0 HG11 VAL A 53 7.646 0.733 -3.401 1.00 21.12 H new ATOM 0 HG12 VAL A 53 8.722 -0.684 -3.370 1.00 21.12 H new ATOM 0 HG13 VAL A 53 7.455 -0.556 -4.612 1.00 21.12 H new ATOM 0 HG21 VAL A 53 5.269 0.544 -2.680 1.00 41.00 H new ATOM 0 HG22 VAL A 53 4.948 -0.754 -3.855 1.00 41.00 H new ATOM 0 HG23 VAL A 53 4.609 -1.013 -2.127 1.00 41.00 H new ATOM 823 N GLN A 54 8.772 -3.746 -3.715 1.00 44.04 N ATOM 824 CA GLN A 54 10.137 -4.294 -3.748 1.00 22.22 C ATOM 825 C GLN A 54 11.168 -3.159 -3.968 1.00 13.30 C ATOM 826 O GLN A 54 11.088 -2.424 -4.962 1.00 21.43 O ATOM 827 CB GLN A 54 10.210 -5.343 -4.887 1.00 71.50 C ATOM 828 CG GLN A 54 11.568 -6.031 -5.086 1.00 13.41 C ATOM 829 CD GLN A 54 11.547 -7.042 -6.237 1.00 1.24 C ATOM 830 OE1 GLN A 54 11.831 -6.709 -7.379 1.00 53.35 O ATOM 831 NE2 GLN A 54 11.176 -8.272 -5.951 1.00 31.32 N ATOM 0 H GLN A 54 8.269 -3.875 -4.593 1.00 44.04 H new ATOM 0 HA GLN A 54 10.376 -4.771 -2.797 1.00 22.22 H new ATOM 0 HB2 GLN A 54 9.461 -6.111 -4.694 1.00 71.50 H new ATOM 0 HB3 GLN A 54 9.933 -4.855 -5.821 1.00 71.50 H new ATOM 0 HG2 GLN A 54 12.329 -5.276 -5.283 1.00 13.41 H new ATOM 0 HG3 GLN A 54 11.853 -6.539 -4.165 1.00 13.41 H new ATOM 0 HE21 GLN A 54 10.944 -8.524 -4.990 1.00 31.32 H new ATOM 0 HE22 GLN A 54 11.120 -8.973 -6.690 1.00 31.32 H new ATOM 840 N GLY A 55 12.134 -3.031 -3.041 1.00 72.14 N ATOM 841 CA GLY A 55 13.146 -1.962 -3.097 1.00 74.10 C ATOM 842 C GLY A 55 12.608 -0.592 -2.671 1.00 4.43 C ATOM 843 O GLY A 55 12.912 0.429 -3.306 1.00 23.14 O ATOM 0 H GLY A 55 12.235 -3.657 -2.242 1.00 72.14 H new ATOM 0 HA2 GLY A 55 13.984 -2.231 -2.454 1.00 74.10 H new ATOM 0 HA3 GLY A 55 13.534 -1.892 -4.113 1.00 74.10 H new ATOM 847 N ALA A 56 11.812 -0.575 -1.583 1.00 31.40 N ATOM 848 CA ALA A 56 11.176 0.653 -1.063 1.00 44.03 C ATOM 849 C ALA A 56 12.230 1.646 -0.512 1.00 12.53 C ATOM 850 O ALA A 56 12.889 1.365 0.496 1.00 14.01 O ATOM 851 CB ALA A 56 10.132 0.298 0.010 1.00 43.43 C ATOM 0 H ALA A 56 11.592 -1.410 -1.041 1.00 31.40 H new ATOM 0 HA ALA A 56 10.667 1.149 -1.889 1.00 44.03 H new ATOM 0 HB1 ALA A 56 9.671 1.212 0.385 1.00 43.43 H new ATOM 0 HB2 ALA A 56 9.366 -0.343 -0.426 1.00 43.43 H new ATOM 0 HB3 ALA A 56 10.619 -0.226 0.832 1.00 43.43 H new ATOM 857 N ARG A 57 12.382 2.801 -1.191 1.00 14.02 N ATOM 858 CA ARG A 57 13.398 3.815 -0.838 1.00 62.11 C ATOM 859 C ARG A 57 12.916 5.247 -1.204 1.00 43.14 C ATOM 860 O ARG A 57 12.652 6.060 -0.310 1.00 62.00 O ATOM 861 CB ARG A 57 14.766 3.461 -1.530 1.00 50.34 C ATOM 862 CG ARG A 57 16.035 4.144 -0.928 1.00 20.44 C ATOM 863 CD ARG A 57 16.263 5.602 -1.384 1.00 62.14 C ATOM 864 NE ARG A 57 17.232 6.318 -0.531 1.00 4.01 N ATOM 865 CZ ARG A 57 18.544 6.206 -0.572 1.00 72.24 C ATOM 866 NH1 ARG A 57 19.143 5.403 -1.399 1.00 50.20 N ATOM 867 NH2 ARG A 57 19.253 6.920 0.226 1.00 1.40 N ATOM 0 H ARG A 57 11.808 3.057 -1.995 1.00 14.02 H new ATOM 0 HA ARG A 57 13.549 3.803 0.241 1.00 62.11 H new ATOM 0 HB2 ARG A 57 14.904 2.381 -1.486 1.00 50.34 H new ATOM 0 HB3 ARG A 57 14.698 3.731 -2.584 1.00 50.34 H new ATOM 0 HG2 ARG A 57 15.959 4.126 0.159 1.00 20.44 H new ATOM 0 HG3 ARG A 57 16.911 3.553 -1.196 1.00 20.44 H new ATOM 0 HD2 ARG A 57 16.619 5.605 -2.414 1.00 62.14 H new ATOM 0 HD3 ARG A 57 15.312 6.135 -1.374 1.00 62.14 H new ATOM 0 HE ARG A 57 16.847 6.964 0.159 1.00 4.01 H new ATOM 0 HH11 ARG A 57 18.595 4.834 -2.044 1.00 50.20 H new ATOM 0 HH12 ARG A 57 20.161 5.342 -1.403 1.00 50.20 H new ATOM 0 HH21 ARG A 57 18.799 7.560 0.877 1.00 1.40 H new ATOM 0 HH22 ARG A 57 20.270 6.847 0.209 1.00 1.40 H new ATOM 881 N SER A 58 12.798 5.546 -2.519 1.00 60.43 N ATOM 882 CA SER A 58 12.612 6.945 -3.023 1.00 72.35 C ATOM 883 C SER A 58 11.119 7.309 -3.264 1.00 4.33 C ATOM 884 O SER A 58 10.446 7.815 -2.354 1.00 12.03 O ATOM 885 CB SER A 58 13.454 7.163 -4.310 1.00 62.41 C ATOM 886 OG SER A 58 13.326 8.493 -4.798 1.00 12.32 O ATOM 0 H SER A 58 12.827 4.843 -3.258 1.00 60.43 H new ATOM 0 HA SER A 58 12.966 7.619 -2.243 1.00 72.35 H new ATOM 0 HB2 SER A 58 14.502 6.951 -4.100 1.00 62.41 H new ATOM 0 HB3 SER A 58 13.134 6.460 -5.079 1.00 62.41 H new ATOM 0 HG SER A 58 13.869 8.598 -5.607 1.00 12.32 H new ATOM 892 N GLY A 59 10.583 7.006 -4.477 1.00 23.03 N ATOM 893 CA GLY A 59 9.188 7.352 -4.840 1.00 22.31 C ATOM 894 C GLY A 59 8.144 6.368 -4.294 1.00 11.22 C ATOM 895 O GLY A 59 6.953 6.473 -4.593 1.00 4.12 O ATOM 0 H GLY A 59 11.097 6.525 -5.215 1.00 23.03 H new ATOM 0 HA2 GLY A 59 8.962 8.351 -4.467 1.00 22.31 H new ATOM 0 HA3 GLY A 59 9.104 7.391 -5.926 1.00 22.31 H new ATOM 899 N ASP A 60 8.610 5.422 -3.473 1.00 44.43 N ATOM 900 CA ASP A 60 7.782 4.372 -2.852 1.00 61.31 C ATOM 901 C ASP A 60 7.107 4.891 -1.554 1.00 71.35 C ATOM 902 O ASP A 60 6.318 4.185 -0.917 1.00 72.01 O ATOM 903 CB ASP A 60 8.689 3.155 -2.567 1.00 41.30 C ATOM 904 CG ASP A 60 9.623 2.858 -3.760 1.00 62.32 C ATOM 905 OD1 ASP A 60 9.162 2.281 -4.761 1.00 0.44 O ATOM 906 OD2 ASP A 60 10.806 3.270 -3.724 1.00 31.40 O ATOM 0 H ASP A 60 9.594 5.360 -3.213 1.00 44.43 H new ATOM 0 HA ASP A 60 6.978 4.081 -3.527 1.00 61.31 H new ATOM 0 HB2 ASP A 60 9.285 3.345 -1.674 1.00 41.30 H new ATOM 0 HB3 ASP A 60 8.073 2.280 -2.359 1.00 41.30 H new ATOM 911 N ALA A 61 7.462 6.133 -1.165 1.00 73.52 N ATOM 912 CA ALA A 61 6.810 6.871 -0.075 1.00 52.23 C ATOM 913 C ALA A 61 5.639 7.700 -0.643 1.00 43.14 C ATOM 914 O ALA A 61 5.804 8.425 -1.633 1.00 60.25 O ATOM 915 CB ALA A 61 7.832 7.781 0.632 1.00 62.02 C ATOM 0 H ALA A 61 8.219 6.654 -1.607 1.00 73.52 H new ATOM 0 HA ALA A 61 6.418 6.166 0.658 1.00 52.23 H new ATOM 0 HB1 ALA A 61 7.339 8.324 1.438 1.00 62.02 H new ATOM 0 HB2 ALA A 61 8.637 7.173 1.043 1.00 62.02 H new ATOM 0 HB3 ALA A 61 8.244 8.491 -0.085 1.00 62.02 H new ATOM 921 N GLY A 62 4.457 7.545 -0.038 1.00 73.12 N ATOM 922 CA GLY A 62 3.258 8.273 -0.453 1.00 63.42 C ATOM 923 C GLY A 62 1.978 7.705 0.154 1.00 42.22 C ATOM 924 O GLY A 62 2.025 6.817 1.013 1.00 44.44 O ATOM 0 H GLY A 62 4.307 6.914 0.749 1.00 73.12 H new ATOM 0 HA2 GLY A 62 3.357 9.320 -0.165 1.00 63.42 H new ATOM 0 HA3 GLY A 62 3.181 8.247 -1.540 1.00 63.42 H new ATOM 928 N GLU A 63 0.829 8.233 -0.289 1.00 3.54 N ATOM 929 CA GLU A 63 -0.495 7.768 0.160 1.00 44.23 C ATOM 930 C GLU A 63 -0.956 6.556 -0.679 1.00 65.24 C ATOM 931 O GLU A 63 -0.963 6.611 -1.918 1.00 34.15 O ATOM 932 CB GLU A 63 -1.532 8.907 0.040 1.00 40.24 C ATOM 933 CG GLU A 63 -1.141 10.215 0.766 1.00 3.54 C ATOM 934 CD GLU A 63 -2.149 11.352 0.527 1.00 73.21 C ATOM 935 OE1 GLU A 63 -2.282 11.798 -0.639 1.00 23.30 O ATOM 936 OE2 GLU A 63 -2.815 11.800 1.487 1.00 2.23 O ATOM 0 H GLU A 63 0.789 8.993 -0.968 1.00 3.54 H new ATOM 0 HA GLU A 63 -0.415 7.466 1.204 1.00 44.23 H new ATOM 0 HB2 GLU A 63 -1.690 9.127 -1.016 1.00 40.24 H new ATOM 0 HB3 GLU A 63 -2.484 8.557 0.439 1.00 40.24 H new ATOM 0 HG2 GLU A 63 -1.064 10.022 1.836 1.00 3.54 H new ATOM 0 HG3 GLU A 63 -0.155 10.532 0.428 1.00 3.54 H new ATOM 943 N TYR A 64 -1.319 5.467 0.013 1.00 0.22 N ATOM 944 CA TYR A 64 -1.877 4.250 -0.602 1.00 41.33 C ATOM 945 C TYR A 64 -3.354 4.070 -0.179 1.00 1.04 C ATOM 946 O TYR A 64 -3.648 3.747 0.968 1.00 64.23 O ATOM 947 CB TYR A 64 -1.048 3.010 -0.203 1.00 43.04 C ATOM 948 CG TYR A 64 0.386 2.979 -0.755 1.00 52.11 C ATOM 949 CD1 TYR A 64 1.423 3.699 -0.147 1.00 43.11 C ATOM 950 CD2 TYR A 64 0.705 2.205 -1.872 1.00 11.31 C ATOM 951 CE1 TYR A 64 2.714 3.639 -0.634 1.00 11.12 C ATOM 952 CE2 TYR A 64 1.994 2.142 -2.354 1.00 61.34 C ATOM 953 CZ TYR A 64 2.992 2.855 -1.735 1.00 10.34 C ATOM 954 OH TYR A 64 4.275 2.789 -2.227 1.00 51.52 O ATOM 0 H TYR A 64 -1.233 5.404 1.027 1.00 0.22 H new ATOM 0 HA TYR A 64 -1.832 4.357 -1.686 1.00 41.33 H new ATOM 0 HB2 TYR A 64 -1.003 2.957 0.885 1.00 43.04 H new ATOM 0 HB3 TYR A 64 -1.572 2.117 -0.544 1.00 43.04 H new ATOM 0 HD1 TYR A 64 1.209 4.311 0.717 1.00 43.11 H new ATOM 0 HD2 TYR A 64 -0.074 1.645 -2.368 1.00 11.31 H new ATOM 0 HE1 TYR A 64 3.502 4.203 -0.156 1.00 11.12 H new ATOM 0 HE2 TYR A 64 2.220 1.533 -3.217 1.00 61.34 H new ATOM 0 HH TYR A 64 4.869 3.327 -1.664 1.00 51.52 H new ATOM 964 N LEU A 65 -4.278 4.253 -1.123 1.00 51.44 N ATOM 965 CA LEU A 65 -5.723 4.194 -0.858 1.00 2.32 C ATOM 966 C LEU A 65 -6.254 2.760 -1.091 1.00 2.50 C ATOM 967 O LEU A 65 -6.396 2.316 -2.234 1.00 32.22 O ATOM 968 CB LEU A 65 -6.456 5.214 -1.774 1.00 73.14 C ATOM 969 CG LEU A 65 -8.011 5.287 -1.627 1.00 4.40 C ATOM 970 CD1 LEU A 65 -8.428 5.666 -0.185 1.00 43.03 C ATOM 971 CD2 LEU A 65 -8.619 6.259 -2.671 1.00 0.10 C ATOM 0 H LEU A 65 -4.048 4.447 -2.098 1.00 51.44 H new ATOM 0 HA LEU A 65 -5.913 4.455 0.183 1.00 2.32 H new ATOM 0 HB2 LEU A 65 -6.047 6.205 -1.577 1.00 73.14 H new ATOM 0 HB3 LEU A 65 -6.222 4.972 -2.811 1.00 73.14 H new ATOM 0 HG LEU A 65 -8.412 4.293 -1.825 1.00 4.40 H new ATOM 0 HD11 LEU A 65 -9.515 5.707 -0.120 1.00 43.03 H new ATOM 0 HD12 LEU A 65 -8.051 4.917 0.512 1.00 43.03 H new ATOM 0 HD13 LEU A 65 -8.012 6.641 0.070 1.00 43.03 H new ATOM 0 HD21 LEU A 65 -9.702 6.293 -2.549 1.00 0.10 H new ATOM 0 HD22 LEU A 65 -8.206 7.257 -2.523 1.00 0.10 H new ATOM 0 HD23 LEU A 65 -8.378 5.911 -3.676 1.00 0.10 H new ATOM 983 N CYS A 66 -6.473 2.030 0.020 1.00 31.50 N ATOM 984 CA CYS A 66 -7.123 0.700 0.010 1.00 73.20 C ATOM 985 C CYS A 66 -8.662 0.880 -0.033 1.00 13.54 C ATOM 986 O CYS A 66 -9.330 0.969 1.002 1.00 14.04 O ATOM 987 CB CYS A 66 -6.682 -0.106 1.256 1.00 14.13 C ATOM 988 SG CYS A 66 -7.289 -1.803 1.306 1.00 53.43 S ATOM 0 H CYS A 66 -6.205 2.344 0.952 1.00 31.50 H new ATOM 0 HA CYS A 66 -6.819 0.142 -0.876 1.00 73.20 H new ATOM 0 HB2 CYS A 66 -5.593 -0.122 1.295 1.00 14.13 H new ATOM 0 HB3 CYS A 66 -7.025 0.415 2.150 1.00 14.13 H new ATOM 0 HG CYS A 66 -6.434 -2.587 0.719 1.00 53.43 H new ATOM 994 N ASP A 67 -9.194 0.958 -1.257 1.00 3.43 N ATOM 995 CA ASP A 67 -10.583 1.362 -1.553 1.00 71.13 C ATOM 996 C ASP A 67 -11.525 0.138 -1.733 1.00 11.12 C ATOM 997 O ASP A 67 -11.621 -0.448 -2.817 1.00 51.11 O ATOM 998 CB ASP A 67 -10.547 2.264 -2.814 1.00 44.11 C ATOM 999 CG ASP A 67 -11.907 2.826 -3.246 1.00 44.13 C ATOM 1000 OD1 ASP A 67 -12.506 3.608 -2.480 1.00 12.51 O ATOM 1001 OD2 ASP A 67 -12.367 2.524 -4.371 1.00 45.11 O ATOM 0 H ASP A 67 -8.659 0.737 -2.097 1.00 3.43 H new ATOM 0 HA ASP A 67 -10.997 1.916 -0.711 1.00 71.13 H new ATOM 0 HB2 ASP A 67 -9.869 3.097 -2.628 1.00 44.11 H new ATOM 0 HB3 ASP A 67 -10.128 1.691 -3.641 1.00 44.11 H new ATOM 1006 N ALA A 68 -12.190 -0.248 -0.633 1.00 34.41 N ATOM 1007 CA ALA A 68 -13.196 -1.338 -0.600 1.00 44.31 C ATOM 1008 C ALA A 68 -14.557 -0.891 -1.228 1.00 62.25 C ATOM 1009 O ALA A 68 -14.818 0.311 -1.331 1.00 24.34 O ATOM 1010 CB ALA A 68 -13.385 -1.794 0.864 1.00 14.44 C ATOM 0 H ALA A 68 -12.047 0.191 0.276 1.00 34.41 H new ATOM 0 HA ALA A 68 -12.835 -2.172 -1.202 1.00 44.31 H new ATOM 0 HB1 ALA A 68 -14.123 -2.596 0.903 1.00 14.44 H new ATOM 0 HB2 ALA A 68 -12.435 -2.155 1.258 1.00 14.44 H new ATOM 0 HB3 ALA A 68 -13.731 -0.953 1.465 1.00 14.44 H new ATOM 1016 N PRO A 69 -15.436 -1.859 -1.685 1.00 11.20 N ATOM 1017 CA PRO A 69 -16.814 -1.561 -2.203 1.00 55.14 C ATOM 1018 C PRO A 69 -17.668 -0.611 -1.311 1.00 42.31 C ATOM 1019 O PRO A 69 -18.484 0.166 -1.825 1.00 32.12 O ATOM 1020 CB PRO A 69 -17.462 -2.963 -2.280 1.00 53.30 C ATOM 1021 CG PRO A 69 -16.315 -3.873 -2.583 1.00 70.42 C ATOM 1022 CD PRO A 69 -15.135 -3.314 -1.811 1.00 60.03 C ATOM 0 HA PRO A 69 -16.760 -1.021 -3.148 1.00 55.14 H new ATOM 0 HB2 PRO A 69 -17.947 -3.231 -1.342 1.00 53.30 H new ATOM 0 HB3 PRO A 69 -18.224 -3.009 -3.058 1.00 53.30 H new ATOM 0 HG2 PRO A 69 -16.535 -4.896 -2.277 1.00 70.42 H new ATOM 0 HG3 PRO A 69 -16.107 -3.898 -3.653 1.00 70.42 H new ATOM 0 HD2 PRO A 69 -15.039 -3.787 -0.834 1.00 60.03 H new ATOM 0 HD3 PRO A 69 -14.197 -3.482 -2.340 1.00 60.03 H new ATOM 1030 N GLN A 70 -17.476 -0.679 0.022 1.00 44.41 N ATOM 1031 CA GLN A 70 -18.192 0.202 0.983 1.00 52.02 C ATOM 1032 C GLN A 70 -17.244 0.566 2.167 1.00 22.43 C ATOM 1033 O GLN A 70 -17.603 0.432 3.338 1.00 51.52 O ATOM 1034 CB GLN A 70 -19.529 -0.493 1.448 1.00 63.13 C ATOM 1035 CG GLN A 70 -20.701 0.448 1.846 1.00 33.05 C ATOM 1036 CD GLN A 70 -20.519 1.193 3.175 1.00 32.11 C ATOM 1037 OE1 GLN A 70 -20.881 0.698 4.235 1.00 52.21 O ATOM 1038 NE2 GLN A 70 -19.974 2.396 3.134 1.00 42.50 N ATOM 0 H GLN A 70 -16.831 -1.334 0.464 1.00 44.41 H new ATOM 0 HA GLN A 70 -18.475 1.140 0.505 1.00 52.02 H new ATOM 0 HB2 GLN A 70 -19.872 -1.143 0.644 1.00 63.13 H new ATOM 0 HB3 GLN A 70 -19.302 -1.133 2.300 1.00 63.13 H new ATOM 0 HG2 GLN A 70 -20.842 1.182 1.053 1.00 33.05 H new ATOM 0 HG3 GLN A 70 -21.616 -0.141 1.901 1.00 33.05 H new ATOM 0 HE21 GLN A 70 -19.679 2.792 2.242 1.00 42.50 H new ATOM 0 HE22 GLN A 70 -19.849 2.929 3.995 1.00 42.50 H new ATOM 1047 N ASP A 71 -16.017 1.006 1.814 1.00 34.31 N ATOM 1048 CA ASP A 71 -14.999 1.559 2.758 1.00 71.32 C ATOM 1049 C ASP A 71 -13.735 1.986 1.967 1.00 34.53 C ATOM 1050 O ASP A 71 -13.564 1.573 0.833 1.00 23.21 O ATOM 1051 CB ASP A 71 -14.609 0.532 3.861 1.00 10.31 C ATOM 1052 CG ASP A 71 -13.695 1.128 4.946 1.00 52.33 C ATOM 1053 OD1 ASP A 71 -14.176 1.970 5.737 1.00 43.32 O ATOM 1054 OD2 ASP A 71 -12.491 0.801 4.985 1.00 64.21 O ATOM 0 H ASP A 71 -15.692 0.990 0.847 1.00 34.31 H new ATOM 0 HA ASP A 71 -15.439 2.424 3.254 1.00 71.32 H new ATOM 0 HB2 ASP A 71 -15.516 0.149 4.329 1.00 10.31 H new ATOM 0 HB3 ASP A 71 -14.106 -0.317 3.397 1.00 10.31 H new ATOM 1059 N SER A 72 -12.865 2.817 2.563 1.00 4.13 N ATOM 1060 CA SER A 72 -11.560 3.179 1.957 1.00 55.15 C ATOM 1061 C SER A 72 -10.592 3.721 3.027 1.00 1.01 C ATOM 1062 O SER A 72 -10.898 4.702 3.715 1.00 73.54 O ATOM 1063 CB SER A 72 -11.737 4.199 0.806 1.00 34.13 C ATOM 1064 OG SER A 72 -12.362 5.388 1.236 1.00 45.32 O ATOM 0 H SER A 72 -13.037 3.256 3.468 1.00 4.13 H new ATOM 0 HA SER A 72 -11.128 2.273 1.533 1.00 55.15 H new ATOM 0 HB2 SER A 72 -10.762 4.437 0.381 1.00 34.13 H new ATOM 0 HB3 SER A 72 -12.329 3.747 0.011 1.00 34.13 H new ATOM 0 HG SER A 72 -12.217 5.505 2.198 1.00 45.32 H new ATOM 1070 N ARG A 73 -9.430 3.053 3.183 1.00 63.11 N ATOM 1071 CA ARG A 73 -8.399 3.425 4.183 1.00 75.53 C ATOM 1072 C ARG A 73 -7.188 4.081 3.487 1.00 4.25 C ATOM 1073 O ARG A 73 -6.631 3.526 2.535 1.00 71.35 O ATOM 1074 CB ARG A 73 -7.926 2.174 4.984 1.00 42.15 C ATOM 1075 CG ARG A 73 -9.034 1.382 5.736 1.00 64.45 C ATOM 1076 CD ARG A 73 -9.762 2.176 6.857 1.00 61.24 C ATOM 1077 NE ARG A 73 -10.752 3.134 6.332 1.00 73.14 N ATOM 1078 CZ ARG A 73 -11.558 3.886 7.047 1.00 42.02 C ATOM 1079 NH1 ARG A 73 -11.597 3.802 8.336 1.00 50.14 N ATOM 1080 NH2 ARG A 73 -12.344 4.710 6.449 1.00 51.25 N ATOM 0 H ARG A 73 -9.177 2.240 2.621 1.00 63.11 H new ATOM 0 HA ARG A 73 -8.845 4.138 4.877 1.00 75.53 H new ATOM 0 HB2 ARG A 73 -7.427 1.494 4.294 1.00 42.15 H new ATOM 0 HB3 ARG A 73 -7.180 2.494 5.711 1.00 42.15 H new ATOM 0 HG2 ARG A 73 -9.774 1.045 5.011 1.00 64.45 H new ATOM 0 HG3 ARG A 73 -8.588 0.489 6.175 1.00 64.45 H new ATOM 0 HD2 ARG A 73 -10.262 1.475 7.526 1.00 61.24 H new ATOM 0 HD3 ARG A 73 -9.024 2.714 7.452 1.00 61.24 H new ATOM 0 HE ARG A 73 -10.817 3.221 5.318 1.00 73.14 H new ATOM 0 HH11 ARG A 73 -10.993 3.140 8.822 1.00 50.14 H new ATOM 0 HH12 ARG A 73 -12.232 4.398 8.867 1.00 50.14 H new ATOM 0 HH21 ARG A 73 -12.337 4.774 5.431 1.00 51.25 H new ATOM 0 HH22 ARG A 73 -12.974 5.299 6.993 1.00 51.25 H new ATOM 1094 N ILE A 74 -6.793 5.267 3.974 1.00 32.43 N ATOM 1095 CA ILE A 74 -5.616 6.000 3.463 1.00 15.12 C ATOM 1096 C ILE A 74 -4.363 5.543 4.238 1.00 4.23 C ATOM 1097 O ILE A 74 -4.302 5.689 5.462 1.00 72.51 O ATOM 1098 CB ILE A 74 -5.778 7.576 3.600 1.00 73.34 C ATOM 1099 CG1 ILE A 74 -6.907 8.143 2.660 1.00 4.12 C ATOM 1100 CG2 ILE A 74 -4.426 8.314 3.345 1.00 31.12 C ATOM 1101 CD1 ILE A 74 -8.336 7.795 3.060 1.00 13.51 C ATOM 0 H ILE A 74 -7.277 5.748 4.732 1.00 32.43 H new ATOM 0 HA ILE A 74 -5.518 5.774 2.401 1.00 15.12 H new ATOM 0 HB ILE A 74 -6.083 7.768 4.629 1.00 73.34 H new ATOM 0 HG12 ILE A 74 -6.813 9.228 2.624 1.00 4.12 H new ATOM 0 HG13 ILE A 74 -6.732 7.774 1.649 1.00 4.12 H new ATOM 0 HG21 ILE A 74 -4.574 9.389 3.447 1.00 31.12 H new ATOM 0 HG22 ILE A 74 -3.686 7.979 4.072 1.00 31.12 H new ATOM 0 HG23 ILE A 74 -4.073 8.090 2.338 1.00 31.12 H new ATOM 0 HD11 ILE A 74 -9.031 8.235 2.345 1.00 13.51 H new ATOM 0 HD12 ILE A 74 -8.459 6.712 3.066 1.00 13.51 H new ATOM 0 HD13 ILE A 74 -8.541 8.189 4.055 1.00 13.51 H new ATOM 1113 N PHE A 75 -3.362 5.021 3.515 1.00 73.45 N ATOM 1114 CA PHE A 75 -2.088 4.589 4.113 1.00 44.33 C ATOM 1115 C PHE A 75 -1.046 5.698 3.929 1.00 3.55 C ATOM 1116 O PHE A 75 -0.466 5.852 2.850 1.00 72.55 O ATOM 1117 CB PHE A 75 -1.581 3.264 3.471 1.00 53.03 C ATOM 1118 CG PHE A 75 -2.288 2.003 3.950 1.00 62.43 C ATOM 1119 CD1 PHE A 75 -3.596 1.713 3.558 1.00 61.22 C ATOM 1120 CD2 PHE A 75 -1.637 1.103 4.795 1.00 64.44 C ATOM 1121 CE1 PHE A 75 -4.224 0.570 4.004 1.00 13.52 C ATOM 1122 CE2 PHE A 75 -2.266 -0.038 5.238 1.00 52.23 C ATOM 1123 CZ PHE A 75 -3.556 -0.304 4.841 1.00 11.35 C ATOM 0 H PHE A 75 -3.410 4.886 2.505 1.00 73.45 H new ATOM 0 HA PHE A 75 -2.246 4.401 5.175 1.00 44.33 H new ATOM 0 HB2 PHE A 75 -1.693 3.336 2.389 1.00 53.03 H new ATOM 0 HB3 PHE A 75 -0.515 3.164 3.675 1.00 53.03 H new ATOM 0 HD1 PHE A 75 -4.120 2.390 2.900 1.00 61.22 H new ATOM 0 HD2 PHE A 75 -0.623 1.305 5.106 1.00 64.44 H new ATOM 0 HE1 PHE A 75 -5.238 0.357 3.699 1.00 13.52 H new ATOM 0 HE2 PHE A 75 -1.749 -0.722 5.895 1.00 52.23 H new ATOM 0 HZ PHE A 75 -4.050 -1.201 5.185 1.00 11.35 H new ATOM 1133 N LEU A 76 -0.821 6.472 5.003 1.00 41.20 N ATOM 1134 CA LEU A 76 0.236 7.491 5.029 1.00 44.41 C ATOM 1135 C LEU A 76 1.583 6.780 5.251 1.00 31.23 C ATOM 1136 O LEU A 76 1.982 6.496 6.387 1.00 51.12 O ATOM 1137 CB LEU A 76 -0.058 8.542 6.140 1.00 54.35 C ATOM 1138 CG LEU A 76 -1.378 9.364 5.954 1.00 22.45 C ATOM 1139 CD1 LEU A 76 -1.672 10.248 7.188 1.00 52.13 C ATOM 1140 CD2 LEU A 76 -1.331 10.212 4.657 1.00 31.11 C ATOM 0 H LEU A 76 -1.360 6.409 5.867 1.00 41.20 H new ATOM 0 HA LEU A 76 0.274 8.032 4.084 1.00 44.41 H new ATOM 0 HB2 LEU A 76 -0.102 8.028 7.100 1.00 54.35 H new ATOM 0 HB3 LEU A 76 0.780 9.238 6.189 1.00 54.35 H new ATOM 0 HG LEU A 76 -2.197 8.652 5.858 1.00 22.45 H new ATOM 0 HD11 LEU A 76 -2.595 10.805 7.025 1.00 52.13 H new ATOM 0 HD12 LEU A 76 -1.780 9.617 8.070 1.00 52.13 H new ATOM 0 HD13 LEU A 76 -0.849 10.946 7.340 1.00 52.13 H new ATOM 0 HD21 LEU A 76 -2.261 10.772 4.554 1.00 31.11 H new ATOM 0 HD22 LEU A 76 -0.493 10.907 4.707 1.00 31.11 H new ATOM 0 HD23 LEU A 76 -1.207 9.554 3.797 1.00 31.11 H new ATOM 1152 N VAL A 77 2.240 6.436 4.130 1.00 21.00 N ATOM 1153 CA VAL A 77 3.505 5.686 4.131 1.00 14.05 C ATOM 1154 C VAL A 77 4.683 6.620 3.826 1.00 71.33 C ATOM 1155 O VAL A 77 4.790 7.168 2.730 1.00 52.54 O ATOM 1156 CB VAL A 77 3.482 4.494 3.105 1.00 1.15 C ATOM 1157 CG1 VAL A 77 4.825 3.715 3.105 1.00 11.04 C ATOM 1158 CG2 VAL A 77 2.284 3.550 3.385 1.00 52.33 C ATOM 0 H VAL A 77 1.906 6.672 3.195 1.00 21.00 H new ATOM 0 HA VAL A 77 3.630 5.263 5.128 1.00 14.05 H new ATOM 0 HB VAL A 77 3.354 4.916 2.108 1.00 1.15 H new ATOM 0 HG11 VAL A 77 4.772 2.899 2.384 1.00 11.04 H new ATOM 0 HG12 VAL A 77 5.637 4.389 2.831 1.00 11.04 H new ATOM 0 HG13 VAL A 77 5.010 3.309 4.100 1.00 11.04 H new ATOM 0 HG21 VAL A 77 2.288 2.733 2.663 1.00 52.33 H new ATOM 0 HG22 VAL A 77 2.368 3.144 4.393 1.00 52.33 H new ATOM 0 HG23 VAL A 77 1.352 4.108 3.296 1.00 52.33 H new ATOM 1168 N SER A 78 5.541 6.824 4.824 1.00 34.42 N ATOM 1169 CA SER A 78 6.808 7.554 4.659 1.00 63.15 C ATOM 1170 C SER A 78 7.985 6.576 4.804 1.00 12.41 C ATOM 1171 O SER A 78 8.227 6.034 5.889 1.00 33.15 O ATOM 1172 CB SER A 78 6.914 8.694 5.699 1.00 21.15 C ATOM 1173 OG SER A 78 6.825 8.200 7.029 1.00 13.24 O ATOM 0 H SER A 78 5.382 6.489 5.774 1.00 34.42 H new ATOM 0 HA SER A 78 6.838 8.001 3.665 1.00 63.15 H new ATOM 0 HB2 SER A 78 7.860 9.220 5.568 1.00 21.15 H new ATOM 0 HB3 SER A 78 6.119 9.420 5.526 1.00 21.15 H new ATOM 0 HG SER A 78 7.503 8.637 7.586 1.00 13.24 H new ATOM 1179 N VAL A 79 8.686 6.310 3.693 1.00 1.22 N ATOM 1180 CA VAL A 79 9.911 5.506 3.727 1.00 71.31 C ATOM 1181 C VAL A 79 11.085 6.442 4.114 1.00 13.33 C ATOM 1182 O VAL A 79 11.555 7.249 3.301 1.00 44.21 O ATOM 1183 CB VAL A 79 10.171 4.794 2.347 1.00 71.22 C ATOM 1184 CG1 VAL A 79 11.408 3.873 2.419 1.00 72.21 C ATOM 1185 CG2 VAL A 79 8.918 4.005 1.876 1.00 10.23 C ATOM 0 H VAL A 79 8.425 6.640 2.764 1.00 1.22 H new ATOM 0 HA VAL A 79 9.813 4.711 4.466 1.00 71.31 H new ATOM 0 HB VAL A 79 10.374 5.570 1.609 1.00 71.22 H new ATOM 0 HG11 VAL A 79 11.563 3.395 1.452 1.00 72.21 H new ATOM 0 HG12 VAL A 79 12.287 4.464 2.676 1.00 72.21 H new ATOM 0 HG13 VAL A 79 11.249 3.109 3.180 1.00 72.21 H new ATOM 0 HG21 VAL A 79 9.129 3.524 0.921 1.00 10.23 H new ATOM 0 HG22 VAL A 79 8.667 3.246 2.616 1.00 10.23 H new ATOM 0 HG23 VAL A 79 8.079 4.691 1.760 1.00 10.23 H new ATOM 1195 N GLU A 80 11.524 6.330 5.376 1.00 24.44 N ATOM 1196 CA GLU A 80 12.483 7.267 5.997 1.00 63.54 C ATOM 1197 C GLU A 80 13.250 6.580 7.148 1.00 42.43 C ATOM 1198 O GLU A 80 12.999 5.405 7.446 1.00 11.30 O ATOM 1199 CB GLU A 80 11.737 8.525 6.537 1.00 4.43 C ATOM 1200 CG GLU A 80 10.734 8.232 7.679 1.00 3.42 C ATOM 1201 CD GLU A 80 10.179 9.502 8.351 1.00 3.50 C ATOM 1202 OE1 GLU A 80 10.987 10.297 8.882 1.00 33.14 O ATOM 1203 OE2 GLU A 80 8.947 9.698 8.381 1.00 45.45 O ATOM 0 H GLU A 80 11.224 5.583 6.002 1.00 24.44 H new ATOM 0 HA GLU A 80 13.199 7.576 5.235 1.00 63.54 H new ATOM 0 HB2 GLU A 80 12.474 9.245 6.893 1.00 4.43 H new ATOM 0 HB3 GLU A 80 11.203 8.997 5.713 1.00 4.43 H new ATOM 0 HG2 GLU A 80 9.904 7.648 7.282 1.00 3.42 H new ATOM 0 HG3 GLU A 80 11.224 7.616 8.433 1.00 3.42 H new ATOM 1210 N GLU A 81 14.174 7.341 7.782 1.00 74.12 N ATOM 1211 CA GLU A 81 14.995 6.873 8.927 1.00 45.13 C ATOM 1212 C GLU A 81 15.895 5.665 8.513 1.00 1.14 C ATOM 1213 O GLU A 81 15.451 4.515 8.579 1.00 34.34 O ATOM 1214 CB GLU A 81 14.090 6.540 10.156 1.00 61.20 C ATOM 1215 CG GLU A 81 14.851 6.198 11.447 1.00 32.30 C ATOM 1216 CD GLU A 81 13.902 5.942 12.627 1.00 43.32 C ATOM 1217 OE1 GLU A 81 13.505 6.913 13.308 1.00 23.23 O ATOM 1218 OE2 GLU A 81 13.522 4.776 12.856 1.00 64.33 O ATOM 0 H GLU A 81 14.373 8.304 7.512 1.00 74.12 H new ATOM 0 HA GLU A 81 15.664 7.680 9.227 1.00 45.13 H new ATOM 0 HB2 GLU A 81 13.439 7.392 10.350 1.00 61.20 H new ATOM 0 HB3 GLU A 81 13.446 5.699 9.897 1.00 61.20 H new ATOM 0 HG2 GLU A 81 15.468 5.315 11.280 1.00 32.30 H new ATOM 0 HG3 GLU A 81 15.526 7.016 11.697 1.00 32.30 H new ATOM 1225 N PRO A 82 17.164 5.927 8.031 1.00 42.41 N ATOM 1226 CA PRO A 82 18.046 4.874 7.427 1.00 31.50 C ATOM 1227 C PRO A 82 18.415 3.713 8.413 1.00 75.32 C ATOM 1228 O PRO A 82 17.871 2.593 8.265 1.00 38.60 O ATOM 1229 CB PRO A 82 19.293 5.685 6.943 1.00 2.21 C ATOM 1230 CG PRO A 82 19.293 6.927 7.786 1.00 43.04 C ATOM 1231 CD PRO A 82 17.835 7.257 8.034 1.00 31.45 C ATOM 1232 OXT PRO A 82 19.232 3.924 9.334 1.00 38.60 O ATOM 0 HA PRO A 82 17.548 4.338 6.619 1.00 31.50 H new ATOM 0 HB2 PRO A 82 20.212 5.115 7.078 1.00 2.21 H new ATOM 0 HB3 PRO A 82 19.221 5.927 5.883 1.00 2.21 H new ATOM 0 HG2 PRO A 82 19.822 6.763 8.725 1.00 43.04 H new ATOM 0 HG3 PRO A 82 19.798 7.747 7.275 1.00 43.04 H new ATOM 0 HD2 PRO A 82 17.698 7.772 8.985 1.00 31.45 H new ATOM 0 HD3 PRO A 82 17.435 7.909 7.257 1.00 31.45 H new