USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 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 Set 1.1: A 29 LYS NZ :NH3+ -138:sc= 0.91 (180deg=-0.821) USER MOD Set 1.2: A 64 TYR OH : rot -6:sc= 0.681 USER MOD Set 2.1: A 44 GLN :FLIP amide:sc= 0.00921 F(o=-4.3,f=-3.3) USER MOD Set 2.2: A 49 GLN :FLIP amide:sc= -3.28 F(o=-4.3!,f=-3.3) USER MOD Single : A 1 MET CE :methyl -178:sc= -0.206 (180deg=-0.213) USER MOD Single : A 1 MET N :NH3+ 125:sc= 0.00425 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -150:sc= -0.119 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -44:sc= 0.375 USER MOD Single : A 28 TYR OH : rot 180:sc= 0.598 USER MOD Single : A 36 SER OG : rot 47:sc= 0.308 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 GLN : amide:sc= 0.127 X(o=0.13,f=-0.028) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 80:sc= -5.84! USER MOD Single : A 70 GLN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 130:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.617 7.019 10.938 1.00 72.30 N ATOM 2 CA MET A 1 -5.929 6.824 9.628 1.00 51.30 C ATOM 3 C MET A 1 -4.965 5.621 9.715 1.00 34.14 C ATOM 4 O MET A 1 -4.253 5.468 10.712 1.00 12.24 O ATOM 5 CB MET A 1 -5.171 8.121 9.236 1.00 10.51 C ATOM 6 CG MET A 1 -4.822 8.256 7.751 1.00 35.14 C ATOM 7 SD MET A 1 -3.967 9.812 7.405 1.00 34.21 S ATOM 8 CE MET A 1 -4.100 9.919 5.621 1.00 0.01 C ATOM 0 H1 MET A 1 -6.466 7.994 11.268 1.00 72.30 H new ATOM 0 H2 MET A 1 -7.636 6.846 10.824 1.00 72.30 H new ATOM 0 H3 MET A 1 -6.229 6.354 11.637 1.00 72.30 H new ATOM 0 HA MET A 1 -6.668 6.612 8.855 1.00 51.30 H new ATOM 0 HB2 MET A 1 -5.777 8.978 9.528 1.00 10.51 H new ATOM 0 HB3 MET A 1 -4.248 8.171 9.814 1.00 10.51 H new ATOM 0 HG2 MET A 1 -4.193 7.419 7.447 1.00 35.14 H new ATOM 0 HG3 MET A 1 -5.734 8.201 7.156 1.00 35.14 H new ATOM 0 HE1 MET A 1 -3.584 10.813 5.271 1.00 0.01 H new ATOM 0 HE2 MET A 1 -3.646 9.037 5.169 1.00 0.01 H new ATOM 0 HE3 MET A 1 -5.151 9.972 5.337 1.00 0.01 H new ATOM 18 N THR A 2 -4.940 4.785 8.666 1.00 21.15 N ATOM 19 CA THR A 2 -4.161 3.525 8.640 1.00 52.43 C ATOM 20 C THR A 2 -2.789 3.803 7.988 1.00 34.33 C ATOM 21 O THR A 2 -2.700 3.843 6.780 1.00 51.31 O ATOM 22 CB THR A 2 -4.948 2.419 7.833 1.00 54.34 C ATOM 23 OG1 THR A 2 -6.327 2.419 8.240 1.00 4.32 O ATOM 24 CG2 THR A 2 -4.377 1.001 8.039 1.00 41.13 C ATOM 0 H THR A 2 -5.460 4.959 7.806 1.00 21.15 H new ATOM 0 HA THR A 2 -4.010 3.159 9.656 1.00 52.43 H new ATOM 0 HB THR A 2 -4.845 2.668 6.777 1.00 54.34 H new ATOM 0 HG1 THR A 2 -6.696 1.516 8.146 1.00 4.32 H new ATOM 0 HG21 THR A 2 -4.960 0.286 7.459 1.00 41.13 H new ATOM 0 HG22 THR A 2 -3.339 0.975 7.708 1.00 41.13 H new ATOM 0 HG23 THR A 2 -4.428 0.738 9.096 1.00 41.13 H new ATOM 32 N ARG A 3 -1.739 4.059 8.800 1.00 61.02 N ATOM 33 CA ARG A 3 -0.419 4.574 8.309 1.00 72.41 C ATOM 34 C ARG A 3 0.759 3.646 8.698 1.00 14.55 C ATOM 35 O ARG A 3 0.730 3.002 9.751 1.00 55.42 O ATOM 36 CB ARG A 3 -0.172 5.983 8.899 1.00 3.42 C ATOM 37 CG ARG A 3 -1.254 7.026 8.547 1.00 70.24 C ATOM 38 CD ARG A 3 -1.086 8.339 9.331 1.00 41.25 C ATOM 39 NE ARG A 3 -1.139 8.122 10.792 1.00 15.23 N ATOM 40 CZ ARG A 3 -1.214 9.068 11.702 1.00 31.31 C ATOM 41 NH1 ARG A 3 -1.301 10.314 11.380 1.00 25.14 N ATOM 42 NH2 ARG A 3 -1.201 8.746 12.949 1.00 11.01 N ATOM 0 H ARG A 3 -1.771 3.919 9.810 1.00 61.02 H new ATOM 0 HA ARG A 3 -0.464 4.610 7.221 1.00 72.41 H new ATOM 0 HB2 ARG A 3 -0.104 5.901 9.984 1.00 3.42 H new ATOM 0 HB3 ARG A 3 0.793 6.346 8.546 1.00 3.42 H new ATOM 0 HG2 ARG A 3 -1.216 7.238 7.478 1.00 70.24 H new ATOM 0 HG3 ARG A 3 -2.239 6.607 8.754 1.00 70.24 H new ATOM 0 HD2 ARG A 3 -0.134 8.800 9.067 1.00 41.25 H new ATOM 0 HD3 ARG A 3 -1.870 9.038 9.040 1.00 41.25 H new ATOM 0 HE ARG A 3 -1.115 7.157 11.122 1.00 15.23 H new ATOM 0 HH11 ARG A 3 -1.313 10.587 10.397 1.00 25.14 H new ATOM 0 HH12 ARG A 3 -1.358 11.026 12.108 1.00 25.14 H new ATOM 0 HH21 ARG A 3 -1.133 7.766 13.222 1.00 11.01 H new ATOM 0 HH22 ARG A 3 -1.259 9.471 13.664 1.00 11.01 H new ATOM 56 N VAL A 4 1.810 3.605 7.845 1.00 23.33 N ATOM 57 CA VAL A 4 3.025 2.769 8.063 1.00 45.55 C ATOM 58 C VAL A 4 4.304 3.560 7.675 1.00 71.54 C ATOM 59 O VAL A 4 4.323 4.259 6.661 1.00 30.23 O ATOM 60 CB VAL A 4 2.973 1.431 7.220 1.00 61.43 C ATOM 61 CG1 VAL A 4 4.259 0.583 7.401 1.00 24.00 C ATOM 62 CG2 VAL A 4 1.716 0.587 7.559 1.00 41.32 C ATOM 0 H VAL A 4 1.844 4.150 6.983 1.00 23.33 H new ATOM 0 HA VAL A 4 3.053 2.513 9.122 1.00 45.55 H new ATOM 0 HB VAL A 4 2.910 1.727 6.173 1.00 61.43 H new ATOM 0 HG11 VAL A 4 4.182 -0.327 6.805 1.00 24.00 H new ATOM 0 HG12 VAL A 4 5.124 1.159 7.073 1.00 24.00 H new ATOM 0 HG13 VAL A 4 4.376 0.319 8.452 1.00 24.00 H new ATOM 0 HG21 VAL A 4 1.717 -0.323 6.960 1.00 41.32 H new ATOM 0 HG22 VAL A 4 1.728 0.325 8.617 1.00 41.32 H new ATOM 0 HG23 VAL A 4 0.819 1.166 7.339 1.00 41.32 H new ATOM 72 N ARG A 5 5.371 3.435 8.487 1.00 43.25 N ATOM 73 CA ARG A 5 6.700 4.012 8.180 1.00 73.55 C ATOM 74 C ARG A 5 7.636 2.916 7.613 1.00 24.22 C ATOM 75 O ARG A 5 7.925 1.930 8.300 1.00 3.01 O ATOM 76 CB ARG A 5 7.311 4.638 9.462 1.00 60.33 C ATOM 77 CG ARG A 5 6.397 5.683 10.138 1.00 3.12 C ATOM 78 CD ARG A 5 7.055 6.356 11.350 1.00 40.03 C ATOM 79 NE ARG A 5 7.455 5.390 12.391 1.00 55.25 N ATOM 80 CZ ARG A 5 8.463 5.540 13.224 1.00 44.32 C ATOM 81 NH1 ARG A 5 9.254 6.560 13.153 1.00 72.45 N ATOM 82 NH2 ARG A 5 8.690 4.636 14.112 1.00 21.15 N ATOM 0 H ARG A 5 5.339 2.932 9.374 1.00 43.25 H new ATOM 0 HA ARG A 5 6.587 4.793 7.429 1.00 73.55 H new ATOM 0 HB2 ARG A 5 7.529 3.843 10.175 1.00 60.33 H new ATOM 0 HB3 ARG A 5 8.261 5.109 9.209 1.00 60.33 H new ATOM 0 HG2 ARG A 5 6.124 6.446 9.409 1.00 3.12 H new ATOM 0 HG3 ARG A 5 5.473 5.200 10.454 1.00 3.12 H new ATOM 0 HD2 ARG A 5 7.933 6.912 11.020 1.00 40.03 H new ATOM 0 HD3 ARG A 5 6.362 7.080 11.779 1.00 40.03 H new ATOM 0 HE ARG A 5 6.905 4.535 12.472 1.00 55.25 H new ATOM 0 HH11 ARG A 5 9.104 7.273 12.439 1.00 72.45 H new ATOM 0 HH12 ARG A 5 10.028 6.652 13.811 1.00 72.45 H new ATOM 0 HH21 ARG A 5 8.091 3.812 14.166 1.00 21.15 H new ATOM 0 HH22 ARG A 5 9.469 4.744 14.762 1.00 21.15 H new ATOM 96 N SER A 6 8.090 3.095 6.358 1.00 51.24 N ATOM 97 CA SER A 6 9.037 2.165 5.683 1.00 73.10 C ATOM 98 C SER A 6 10.494 2.654 5.856 1.00 53.43 C ATOM 99 O SER A 6 10.725 3.817 6.176 1.00 25.33 O ATOM 100 CB SER A 6 8.688 2.054 4.171 1.00 72.35 C ATOM 101 OG SER A 6 9.524 1.114 3.501 1.00 24.15 O ATOM 0 H SER A 6 7.815 3.887 5.777 1.00 51.24 H new ATOM 0 HA SER A 6 8.944 1.181 6.143 1.00 73.10 H new ATOM 0 HB2 SER A 6 7.645 1.757 4.060 1.00 72.35 H new ATOM 0 HB3 SER A 6 8.792 3.032 3.701 1.00 72.35 H new ATOM 0 HG SER A 6 9.274 1.070 2.554 1.00 24.15 H new ATOM 107 N THR A 7 11.469 1.756 5.646 1.00 31.22 N ATOM 108 CA THR A 7 12.916 2.100 5.676 1.00 53.02 C ATOM 109 C THR A 7 13.498 2.222 4.244 1.00 3.24 C ATOM 110 O THR A 7 12.958 1.627 3.304 1.00 21.55 O ATOM 111 CB THR A 7 13.764 1.051 6.513 1.00 15.44 C ATOM 112 OG1 THR A 7 13.073 -0.209 6.613 1.00 73.45 O ATOM 113 CG2 THR A 7 14.112 1.581 7.918 1.00 34.04 C ATOM 0 H THR A 7 11.287 0.772 5.450 1.00 31.22 H new ATOM 0 HA THR A 7 12.991 3.068 6.172 1.00 53.02 H new ATOM 0 HB THR A 7 14.699 0.897 5.975 1.00 15.44 H new ATOM 0 HG1 THR A 7 13.616 -0.839 7.131 1.00 73.45 H new ATOM 0 HG21 THR A 7 14.692 0.832 8.456 1.00 34.04 H new ATOM 0 HG22 THR A 7 14.697 2.496 7.827 1.00 34.04 H new ATOM 0 HG23 THR A 7 13.193 1.790 8.466 1.00 34.04 H new ATOM 121 N PRO A 8 14.598 3.037 4.060 1.00 10.11 N ATOM 122 CA PRO A 8 15.364 3.112 2.781 1.00 10.43 C ATOM 123 C PRO A 8 15.899 1.726 2.311 1.00 33.41 C ATOM 124 O PRO A 8 16.914 1.235 2.814 1.00 42.05 O ATOM 125 CB PRO A 8 16.527 4.092 3.123 1.00 24.50 C ATOM 126 CG PRO A 8 15.990 4.932 4.238 1.00 1.43 C ATOM 127 CD PRO A 8 15.145 3.997 5.065 1.00 64.13 C ATOM 0 HA PRO A 8 14.745 3.446 1.949 1.00 10.43 H new ATOM 0 HB2 PRO A 8 17.424 3.553 3.428 1.00 24.50 H new ATOM 0 HB3 PRO A 8 16.799 4.702 2.262 1.00 24.50 H new ATOM 0 HG2 PRO A 8 16.797 5.362 4.831 1.00 1.43 H new ATOM 0 HG3 PRO A 8 15.398 5.763 3.855 1.00 1.43 H new ATOM 0 HD2 PRO A 8 15.737 3.488 5.825 1.00 64.13 H new ATOM 0 HD3 PRO A 8 14.349 4.530 5.585 1.00 64.13 H new ATOM 135 N GLY A 9 15.173 1.100 1.366 1.00 3.21 N ATOM 136 CA GLY A 9 15.501 -0.251 0.865 1.00 3.32 C ATOM 137 C GLY A 9 15.002 -1.387 1.775 1.00 43.13 C ATOM 138 O GLY A 9 15.476 -2.523 1.665 1.00 25.01 O ATOM 0 H GLY A 9 14.348 1.512 0.930 1.00 3.21 H new ATOM 0 HA2 GLY A 9 15.068 -0.376 -0.127 1.00 3.32 H new ATOM 0 HA3 GLY A 9 16.582 -0.335 0.754 1.00 3.32 H new ATOM 142 N GLY A 10 14.033 -1.073 2.660 1.00 63.43 N ATOM 143 CA GLY A 10 13.514 -2.036 3.653 1.00 63.31 C ATOM 144 C GLY A 10 12.354 -2.907 3.149 1.00 15.23 C ATOM 145 O GLY A 10 11.973 -3.870 3.827 1.00 42.23 O ATOM 0 H GLY A 10 13.592 -0.154 2.707 1.00 63.43 H new ATOM 0 HA2 GLY A 10 14.329 -2.687 3.970 1.00 63.31 H new ATOM 0 HA3 GLY A 10 13.183 -1.487 4.535 1.00 63.31 H new ATOM 149 N ASP A 11 11.805 -2.552 1.963 1.00 71.30 N ATOM 150 CA ASP A 11 10.668 -3.248 1.285 1.00 35.51 C ATOM 151 C ASP A 11 9.340 -3.093 2.061 1.00 10.03 C ATOM 152 O ASP A 11 9.203 -3.552 3.202 1.00 54.22 O ATOM 153 CB ASP A 11 10.975 -4.741 0.991 1.00 14.42 C ATOM 154 CG ASP A 11 12.274 -4.932 0.197 1.00 61.43 C ATOM 155 OD1 ASP A 11 12.577 -4.092 -0.684 1.00 42.01 O ATOM 156 OD2 ASP A 11 13.000 -5.920 0.438 1.00 25.24 O ATOM 0 H ASP A 11 12.145 -1.752 1.430 1.00 71.30 H new ATOM 0 HA ASP A 11 10.544 -2.750 0.323 1.00 35.51 H new ATOM 0 HB2 ASP A 11 11.046 -5.286 1.933 1.00 14.42 H new ATOM 0 HB3 ASP A 11 10.145 -5.175 0.433 1.00 14.42 H new ATOM 161 N LEU A 12 8.360 -2.461 1.409 1.00 71.21 N ATOM 162 CA LEU A 12 7.063 -2.123 2.015 1.00 65.05 C ATOM 163 C LEU A 12 6.095 -3.335 2.010 1.00 72.03 C ATOM 164 O LEU A 12 6.051 -4.100 1.043 1.00 52.32 O ATOM 165 CB LEU A 12 6.440 -0.946 1.224 1.00 44.21 C ATOM 166 CG LEU A 12 5.122 -0.349 1.801 1.00 31.21 C ATOM 167 CD1 LEU A 12 5.358 0.288 3.192 1.00 42.41 C ATOM 168 CD2 LEU A 12 4.479 0.646 0.810 1.00 21.25 C ATOM 0 H LEU A 12 8.443 -2.166 0.436 1.00 71.21 H new ATOM 0 HA LEU A 12 7.225 -1.841 3.055 1.00 65.05 H new ATOM 0 HB2 LEU A 12 7.179 -0.147 1.161 1.00 44.21 H new ATOM 0 HB3 LEU A 12 6.246 -1.282 0.205 1.00 44.21 H new ATOM 0 HG LEU A 12 4.414 -1.166 1.939 1.00 31.21 H new ATOM 0 HD11 LEU A 12 4.420 0.696 3.569 1.00 42.41 H new ATOM 0 HD12 LEU A 12 5.727 -0.471 3.882 1.00 42.41 H new ATOM 0 HD13 LEU A 12 6.093 1.088 3.106 1.00 42.41 H new ATOM 0 HD21 LEU A 12 3.561 1.046 1.240 1.00 21.25 H new ATOM 0 HD22 LEU A 12 5.173 1.463 0.613 1.00 21.25 H new ATOM 0 HD23 LEU A 12 4.248 0.132 -0.123 1.00 21.25 H new ATOM 180 N GLU A 13 5.334 -3.499 3.109 1.00 54.12 N ATOM 181 CA GLU A 13 4.219 -4.467 3.198 1.00 1.51 C ATOM 182 C GLU A 13 3.047 -3.863 4.014 1.00 13.35 C ATOM 183 O GLU A 13 3.095 -3.803 5.248 1.00 65.35 O ATOM 184 CB GLU A 13 4.672 -5.826 3.820 1.00 55.41 C ATOM 185 CG GLU A 13 3.530 -6.859 3.917 1.00 63.13 C ATOM 186 CD GLU A 13 3.950 -8.240 4.449 1.00 34.22 C ATOM 187 OE1 GLU A 13 4.231 -8.361 5.661 1.00 25.24 O ATOM 188 OE2 GLU A 13 3.981 -9.218 3.665 1.00 72.20 O ATOM 0 H GLU A 13 5.474 -2.962 3.965 1.00 54.12 H new ATOM 0 HA GLU A 13 3.881 -4.671 2.182 1.00 1.51 H new ATOM 0 HB2 GLU A 13 5.480 -6.242 3.219 1.00 55.41 H new ATOM 0 HB3 GLU A 13 5.076 -5.646 4.816 1.00 55.41 H new ATOM 0 HG2 GLU A 13 2.751 -6.458 4.565 1.00 63.13 H new ATOM 0 HG3 GLU A 13 3.089 -6.985 2.928 1.00 63.13 H new ATOM 195 N LEU A 14 2.017 -3.379 3.308 1.00 53.14 N ATOM 196 CA LEU A 14 0.781 -2.864 3.918 1.00 35.02 C ATOM 197 C LEU A 14 -0.240 -4.006 4.079 1.00 64.23 C ATOM 198 O LEU A 14 -0.860 -4.434 3.103 1.00 60.00 O ATOM 199 CB LEU A 14 0.185 -1.741 3.028 1.00 41.04 C ATOM 200 CG LEU A 14 1.155 -0.583 2.654 1.00 31.23 C ATOM 201 CD1 LEU A 14 0.445 0.492 1.817 1.00 75.32 C ATOM 202 CD2 LEU A 14 1.817 0.026 3.907 1.00 42.21 C ATOM 0 H LEU A 14 2.017 -3.333 2.289 1.00 53.14 H new ATOM 0 HA LEU A 14 1.011 -2.455 4.902 1.00 35.02 H new ATOM 0 HB2 LEU A 14 -0.184 -2.192 2.107 1.00 41.04 H new ATOM 0 HB3 LEU A 14 -0.677 -1.315 3.542 1.00 41.04 H new ATOM 0 HG LEU A 14 1.949 -1.007 2.039 1.00 31.23 H new ATOM 0 HD11 LEU A 14 1.150 1.287 1.572 1.00 75.32 H new ATOM 0 HD12 LEU A 14 0.067 0.046 0.897 1.00 75.32 H new ATOM 0 HD13 LEU A 14 -0.386 0.907 2.387 1.00 75.32 H new ATOM 0 HD21 LEU A 14 2.488 0.832 3.609 1.00 42.21 H new ATOM 0 HD22 LEU A 14 1.047 0.421 4.570 1.00 42.21 H new ATOM 0 HD23 LEU A 14 2.385 -0.744 4.429 1.00 42.21 H new ATOM 214 N VAL A 15 -0.392 -4.497 5.314 1.00 40.14 N ATOM 215 CA VAL A 15 -1.376 -5.539 5.664 1.00 35.42 C ATOM 216 C VAL A 15 -2.555 -4.895 6.415 1.00 52.11 C ATOM 217 O VAL A 15 -2.392 -4.436 7.552 1.00 31.05 O ATOM 218 CB VAL A 15 -0.739 -6.673 6.562 1.00 75.44 C ATOM 219 CG1 VAL A 15 -1.768 -7.788 6.896 1.00 43.25 C ATOM 220 CG2 VAL A 15 0.528 -7.263 5.900 1.00 14.11 C ATOM 0 H VAL A 15 0.166 -4.183 6.108 1.00 40.14 H new ATOM 0 HA VAL A 15 -1.720 -6.000 4.738 1.00 35.42 H new ATOM 0 HB VAL A 15 -0.442 -6.213 7.504 1.00 75.44 H new ATOM 0 HG11 VAL A 15 -1.292 -8.549 7.515 1.00 43.25 H new ATOM 0 HG12 VAL A 15 -2.610 -7.356 7.436 1.00 43.25 H new ATOM 0 HG13 VAL A 15 -2.125 -8.243 5.972 1.00 43.25 H new ATOM 0 HG21 VAL A 15 0.945 -8.041 6.540 1.00 14.11 H new ATOM 0 HG22 VAL A 15 0.267 -7.691 4.932 1.00 14.11 H new ATOM 0 HG23 VAL A 15 1.267 -6.474 5.760 1.00 14.11 H new ATOM 230 N VAL A 16 -3.729 -4.837 5.776 1.00 31.03 N ATOM 231 CA VAL A 16 -4.968 -4.385 6.444 1.00 33.33 C ATOM 232 C VAL A 16 -5.825 -5.583 6.888 1.00 12.35 C ATOM 233 O VAL A 16 -5.838 -6.642 6.251 1.00 53.12 O ATOM 234 CB VAL A 16 -5.856 -3.439 5.548 1.00 34.34 C ATOM 235 CG1 VAL A 16 -5.229 -2.048 5.384 1.00 5.44 C ATOM 236 CG2 VAL A 16 -6.143 -4.064 4.172 1.00 34.34 C ATOM 0 H VAL A 16 -3.853 -5.096 4.797 1.00 31.03 H new ATOM 0 HA VAL A 16 -4.634 -3.812 7.309 1.00 33.33 H new ATOM 0 HB VAL A 16 -6.805 -3.318 6.071 1.00 34.34 H new ATOM 0 HG11 VAL A 16 -5.874 -1.430 4.760 1.00 5.44 H new ATOM 0 HG12 VAL A 16 -5.116 -1.582 6.363 1.00 5.44 H new ATOM 0 HG13 VAL A 16 -4.251 -2.143 4.913 1.00 5.44 H new ATOM 0 HG21 VAL A 16 -6.757 -3.382 3.584 1.00 34.34 H new ATOM 0 HG22 VAL A 16 -5.203 -4.246 3.652 1.00 34.34 H new ATOM 0 HG23 VAL A 16 -6.673 -5.007 4.304 1.00 34.34 H new ATOM 246 N HIS A 17 -6.505 -5.397 8.019 1.00 14.11 N ATOM 247 CA HIS A 17 -7.601 -6.264 8.476 1.00 25.33 C ATOM 248 C HIS A 17 -8.879 -5.412 8.668 1.00 10.53 C ATOM 249 O HIS A 17 -9.727 -5.741 9.508 1.00 73.50 O ATOM 250 CB HIS A 17 -7.200 -6.993 9.788 1.00 43.13 C ATOM 251 CG HIS A 17 -6.070 -7.977 9.620 1.00 22.24 C ATOM 252 ND1 HIS A 17 -4.759 -7.679 9.905 1.00 53.42 N ATOM 253 CD2 HIS A 17 -6.071 -9.269 9.203 1.00 51.54 C ATOM 254 CE1 HIS A 17 -4.007 -8.733 9.676 1.00 13.13 C ATOM 255 NE2 HIS A 17 -4.774 -9.714 9.250 1.00 2.30 N ATOM 0 H HIS A 17 -6.309 -4.626 8.658 1.00 14.11 H new ATOM 0 HA HIS A 17 -7.804 -7.029 7.726 1.00 25.33 H new ATOM 0 HB2 HIS A 17 -6.914 -6.250 10.532 1.00 43.13 H new ATOM 0 HB3 HIS A 17 -8.071 -7.518 10.181 1.00 43.13 H new ATOM 0 HD2 HIS A 17 -6.933 -9.841 8.892 1.00 51.54 H new ATOM 0 HE1 HIS A 17 -2.937 -8.785 9.815 1.00 13.13 H new ATOM 0 HE2 HIS A 17 -4.457 -10.650 8.997 1.00 2.30 H new ATOM 264 N LEU A 18 -8.988 -4.314 7.860 1.00 32.20 N ATOM 265 CA LEU A 18 -10.168 -3.402 7.833 1.00 50.05 C ATOM 266 C LEU A 18 -11.540 -4.137 7.895 1.00 52.42 C ATOM 267 O LEU A 18 -11.741 -5.186 7.273 1.00 53.50 O ATOM 268 CB LEU A 18 -10.084 -2.414 6.607 1.00 30.11 C ATOM 269 CG LEU A 18 -9.592 -2.978 5.215 1.00 21.11 C ATOM 270 CD1 LEU A 18 -10.532 -4.021 4.582 1.00 33.33 C ATOM 271 CD2 LEU A 18 -9.318 -1.827 4.219 1.00 53.15 C ATOM 0 H LEU A 18 -8.254 -4.038 7.207 1.00 32.20 H new ATOM 0 HA LEU A 18 -10.121 -2.818 8.752 1.00 50.05 H new ATOM 0 HB2 LEU A 18 -11.075 -1.985 6.459 1.00 30.11 H new ATOM 0 HB3 LEU A 18 -9.420 -1.595 6.886 1.00 30.11 H new ATOM 0 HG LEU A 18 -8.664 -3.507 5.432 1.00 21.11 H new ATOM 0 HD11 LEU A 18 -10.118 -4.354 3.630 1.00 33.33 H new ATOM 0 HD12 LEU A 18 -10.633 -4.874 5.252 1.00 33.33 H new ATOM 0 HD13 LEU A 18 -11.512 -3.574 4.415 1.00 33.33 H new ATOM 0 HD21 LEU A 18 -8.981 -2.241 3.269 1.00 53.15 H new ATOM 0 HD22 LEU A 18 -10.233 -1.256 4.062 1.00 53.15 H new ATOM 0 HD23 LEU A 18 -8.547 -1.172 4.624 1.00 53.15 H new ATOM 283 N SER A 19 -12.474 -3.565 8.672 1.00 12.12 N ATOM 284 CA SER A 19 -13.804 -4.164 8.925 1.00 31.22 C ATOM 285 C SER A 19 -14.872 -3.606 7.939 1.00 21.31 C ATOM 286 O SER A 19 -16.058 -3.512 8.271 1.00 22.05 O ATOM 287 CB SER A 19 -14.194 -3.898 10.408 1.00 63.41 C ATOM 288 OG SER A 19 -15.387 -4.582 10.787 1.00 63.22 O ATOM 0 H SER A 19 -12.332 -2.673 9.145 1.00 12.12 H new ATOM 0 HA SER A 19 -13.760 -5.240 8.754 1.00 31.22 H new ATOM 0 HB2 SER A 19 -13.377 -4.211 11.058 1.00 63.41 H new ATOM 0 HB3 SER A 19 -14.329 -2.827 10.559 1.00 63.41 H new ATOM 0 HG SER A 19 -16.056 -4.491 10.077 1.00 63.22 H new ATOM 294 N GLY A 20 -14.429 -3.264 6.708 1.00 52.33 N ATOM 295 CA GLY A 20 -15.333 -2.813 5.632 1.00 10.14 C ATOM 296 C GLY A 20 -16.089 -3.973 4.952 1.00 2.31 C ATOM 297 O GLY A 20 -15.937 -5.132 5.362 1.00 54.35 O ATOM 0 H GLY A 20 -13.446 -3.293 6.437 1.00 52.33 H new ATOM 0 HA2 GLY A 20 -16.055 -2.108 6.044 1.00 10.14 H new ATOM 0 HA3 GLY A 20 -14.755 -2.274 4.881 1.00 10.14 H new ATOM 301 N PRO A 21 -16.904 -3.703 3.885 1.00 73.15 N ATOM 302 CA PRO A 21 -17.731 -4.749 3.215 1.00 74.45 C ATOM 303 C PRO A 21 -16.917 -5.667 2.262 1.00 23.32 C ATOM 304 O PRO A 21 -15.713 -5.459 2.055 1.00 2.53 O ATOM 305 CB PRO A 21 -18.767 -3.896 2.442 1.00 54.12 C ATOM 306 CG PRO A 21 -18.009 -2.655 2.068 1.00 22.43 C ATOM 307 CD PRO A 21 -17.075 -2.373 3.234 1.00 75.43 C ATOM 0 HA PRO A 21 -18.167 -5.454 3.923 1.00 74.45 H new ATOM 0 HB2 PRO A 21 -19.136 -4.419 1.560 1.00 54.12 H new ATOM 0 HB3 PRO A 21 -19.634 -3.663 3.061 1.00 54.12 H new ATOM 0 HG2 PRO A 21 -17.449 -2.802 1.145 1.00 22.43 H new ATOM 0 HG3 PRO A 21 -18.687 -1.819 1.899 1.00 22.43 H new ATOM 0 HD2 PRO A 21 -16.122 -1.969 2.894 1.00 75.43 H new ATOM 0 HD3 PRO A 21 -17.503 -1.644 3.922 1.00 75.43 H new ATOM 315 N GLY A 22 -17.602 -6.688 1.698 1.00 45.33 N ATOM 316 CA GLY A 22 -16.995 -7.623 0.740 1.00 63.34 C ATOM 317 C GLY A 22 -16.504 -6.933 -0.540 1.00 43.51 C ATOM 318 O GLY A 22 -17.230 -6.120 -1.130 1.00 24.14 O ATOM 0 H GLY A 22 -18.584 -6.881 1.896 1.00 45.33 H new ATOM 0 HA2 GLY A 22 -16.157 -8.131 1.217 1.00 63.34 H new ATOM 0 HA3 GLY A 22 -17.724 -8.389 0.477 1.00 63.34 H new ATOM 322 N GLY A 23 -15.265 -7.257 -0.958 1.00 14.31 N ATOM 323 CA GLY A 23 -14.602 -6.587 -2.086 1.00 13.00 C ATOM 324 C GLY A 23 -15.041 -7.081 -3.486 1.00 3.21 C ATOM 325 O GLY A 23 -16.244 -7.177 -3.739 1.00 61.42 O ATOM 0 H GLY A 23 -14.701 -7.987 -0.524 1.00 14.31 H new ATOM 0 HA2 GLY A 23 -14.794 -5.516 -2.018 1.00 13.00 H new ATOM 0 HA3 GLY A 23 -13.525 -6.724 -1.989 1.00 13.00 H new ATOM 329 N PRO A 24 -14.099 -7.403 -4.450 1.00 11.11 N ATOM 330 CA PRO A 24 -12.611 -7.312 -4.279 1.00 64.51 C ATOM 331 C PRO A 24 -12.090 -5.853 -4.102 1.00 44.21 C ATOM 332 O PRO A 24 -12.357 -4.978 -4.926 1.00 22.22 O ATOM 333 CB PRO A 24 -12.049 -7.952 -5.589 1.00 42.24 C ATOM 334 CG PRO A 24 -13.205 -8.723 -6.161 1.00 71.12 C ATOM 335 CD PRO A 24 -14.435 -7.922 -5.801 1.00 62.05 C ATOM 0 HA PRO A 24 -12.288 -7.817 -3.369 1.00 64.51 H new ATOM 0 HB2 PRO A 24 -11.699 -7.189 -6.284 1.00 42.24 H new ATOM 0 HB3 PRO A 24 -11.202 -8.605 -5.379 1.00 42.24 H new ATOM 0 HG2 PRO A 24 -13.109 -8.832 -7.241 1.00 71.12 H new ATOM 0 HG3 PRO A 24 -13.253 -9.728 -5.742 1.00 71.12 H new ATOM 0 HD2 PRO A 24 -14.616 -7.116 -6.512 1.00 62.05 H new ATOM 0 HD3 PRO A 24 -15.332 -8.541 -5.786 1.00 62.05 H new ATOM 343 N VAL A 25 -11.366 -5.616 -2.998 1.00 12.43 N ATOM 344 CA VAL A 25 -10.824 -4.284 -2.650 1.00 44.13 C ATOM 345 C VAL A 25 -9.613 -3.920 -3.566 1.00 63.21 C ATOM 346 O VAL A 25 -8.797 -4.786 -3.905 1.00 2.03 O ATOM 347 CB VAL A 25 -10.412 -4.265 -1.132 1.00 40.24 C ATOM 348 CG1 VAL A 25 -9.799 -2.917 -0.699 1.00 63.33 C ATOM 349 CG2 VAL A 25 -11.607 -4.655 -0.220 1.00 70.33 C ATOM 0 H VAL A 25 -11.137 -6.340 -2.317 1.00 12.43 H new ATOM 0 HA VAL A 25 -11.595 -3.531 -2.814 1.00 44.13 H new ATOM 0 HB VAL A 25 -9.632 -5.016 -1.012 1.00 40.24 H new ATOM 0 HG11 VAL A 25 -9.533 -2.961 0.357 1.00 63.33 H new ATOM 0 HG12 VAL A 25 -8.905 -2.717 -1.290 1.00 63.33 H new ATOM 0 HG13 VAL A 25 -10.525 -2.119 -0.858 1.00 63.33 H new ATOM 0 HG21 VAL A 25 -11.291 -4.633 0.823 1.00 70.33 H new ATOM 0 HG22 VAL A 25 -12.423 -3.947 -0.367 1.00 70.33 H new ATOM 0 HG23 VAL A 25 -11.947 -5.659 -0.475 1.00 70.33 H new ATOM 359 N ARG A 26 -9.513 -2.632 -3.936 1.00 22.01 N ATOM 360 CA ARG A 26 -8.472 -2.105 -4.848 1.00 13.34 C ATOM 361 C ARG A 26 -7.289 -1.499 -4.056 1.00 55.32 C ATOM 362 O ARG A 26 -7.362 -1.323 -2.836 1.00 43.31 O ATOM 363 CB ARG A 26 -9.076 -0.990 -5.754 1.00 44.12 C ATOM 364 CG ARG A 26 -10.255 -1.421 -6.658 1.00 12.32 C ATOM 365 CD ARG A 26 -10.754 -0.248 -7.528 1.00 43.32 C ATOM 366 NE ARG A 26 -11.812 -0.633 -8.479 1.00 73.02 N ATOM 367 CZ ARG A 26 -12.155 0.058 -9.551 1.00 13.22 C ATOM 368 NH1 ARG A 26 -11.519 1.135 -9.897 1.00 5.32 N ATOM 369 NH2 ARG A 26 -13.131 -0.353 -10.283 1.00 33.03 N ATOM 0 H ARG A 26 -10.160 -1.914 -3.608 1.00 22.01 H new ATOM 0 HA ARG A 26 -8.111 -2.937 -5.453 1.00 13.34 H new ATOM 0 HB2 ARG A 26 -9.412 -0.172 -5.116 1.00 44.12 H new ATOM 0 HB3 ARG A 26 -8.283 -0.594 -6.388 1.00 44.12 H new ATOM 0 HG2 ARG A 26 -9.942 -2.245 -7.300 1.00 12.32 H new ATOM 0 HG3 ARG A 26 -11.073 -1.792 -6.040 1.00 12.32 H new ATOM 0 HD2 ARG A 26 -11.130 0.542 -6.878 1.00 43.32 H new ATOM 0 HD3 ARG A 26 -9.912 0.168 -8.081 1.00 43.32 H new ATOM 0 HE ARG A 26 -12.318 -1.499 -8.295 1.00 73.02 H new ATOM 0 HH11 ARG A 26 -10.734 1.466 -9.336 1.00 5.32 H new ATOM 0 HH12 ARG A 26 -11.804 1.650 -10.730 1.00 5.32 H new ATOM 0 HH21 ARG A 26 -13.632 -1.206 -10.033 1.00 33.03 H new ATOM 0 HH22 ARG A 26 -13.403 0.174 -11.113 1.00 33.03 H new ATOM 383 N TRP A 27 -6.201 -1.186 -4.781 1.00 24.12 N ATOM 384 CA TRP A 27 -5.034 -0.451 -4.245 1.00 21.41 C ATOM 385 C TRP A 27 -4.643 0.700 -5.189 1.00 55.44 C ATOM 386 O TRP A 27 -4.441 0.487 -6.384 1.00 42.23 O ATOM 387 CB TRP A 27 -3.820 -1.397 -4.025 1.00 60.01 C ATOM 388 CG TRP A 27 -3.923 -2.245 -2.781 1.00 41.44 C ATOM 389 CD1 TRP A 27 -4.366 -3.536 -2.681 1.00 72.30 C ATOM 390 CD2 TRP A 27 -3.585 -1.833 -1.450 1.00 4.14 C ATOM 391 NE1 TRP A 27 -4.285 -3.960 -1.384 1.00 41.20 N ATOM 392 CE2 TRP A 27 -3.821 -2.928 -0.603 1.00 52.24 C ATOM 393 CE3 TRP A 27 -3.092 -0.639 -0.898 1.00 3.11 C ATOM 394 CZ2 TRP A 27 -3.575 -2.873 0.769 1.00 42.11 C ATOM 395 CZ3 TRP A 27 -2.859 -0.584 0.465 1.00 63.12 C ATOM 396 CH2 TRP A 27 -3.104 -1.697 1.285 1.00 43.10 C ATOM 0 H TRP A 27 -6.103 -1.437 -5.765 1.00 24.12 H new ATOM 0 HA TRP A 27 -5.319 -0.037 -3.278 1.00 21.41 H new ATOM 0 HB2 TRP A 27 -3.720 -2.051 -4.891 1.00 60.01 H new ATOM 0 HB3 TRP A 27 -2.911 -0.798 -3.971 1.00 60.01 H new ATOM 0 HD1 TRP A 27 -4.727 -4.132 -3.506 1.00 72.30 H new ATOM 0 HE1 TRP A 27 -4.529 -4.892 -1.049 1.00 41.20 H new ATOM 0 HE3 TRP A 27 -2.899 0.219 -1.525 1.00 3.11 H new ATOM 0 HZ2 TRP A 27 -3.750 -3.730 1.402 1.00 42.11 H new ATOM 0 HZ3 TRP A 27 -2.483 0.328 0.904 1.00 63.12 H new ATOM 0 HH2 TRP A 27 -2.917 -1.623 2.346 1.00 43.10 H new ATOM 407 N TYR A 28 -4.563 1.921 -4.634 1.00 54.14 N ATOM 408 CA TYR A 28 -4.065 3.128 -5.336 1.00 43.54 C ATOM 409 C TYR A 28 -2.796 3.651 -4.645 1.00 10.22 C ATOM 410 O TYR A 28 -2.503 3.273 -3.508 1.00 51.12 O ATOM 411 CB TYR A 28 -5.154 4.238 -5.374 1.00 63.14 C ATOM 412 CG TYR A 28 -6.432 3.857 -6.144 1.00 41.44 C ATOM 413 CD1 TYR A 28 -7.461 3.131 -5.536 1.00 43.12 C ATOM 414 CD2 TYR A 28 -6.612 4.230 -7.482 1.00 73.53 C ATOM 415 CE1 TYR A 28 -8.607 2.794 -6.233 1.00 71.13 C ATOM 416 CE2 TYR A 28 -7.758 3.896 -8.175 1.00 35.23 C ATOM 417 CZ TYR A 28 -8.750 3.179 -7.549 1.00 10.43 C ATOM 418 OH TYR A 28 -9.892 2.847 -8.243 1.00 32.12 O ATOM 0 H TYR A 28 -4.845 2.106 -3.671 1.00 54.14 H new ATOM 0 HA TYR A 28 -3.825 2.854 -6.363 1.00 43.54 H new ATOM 0 HB2 TYR A 28 -5.426 4.497 -4.351 1.00 63.14 H new ATOM 0 HB3 TYR A 28 -4.726 5.133 -5.826 1.00 63.14 H new ATOM 0 HD1 TYR A 28 -7.359 2.828 -4.504 1.00 43.12 H new ATOM 0 HD2 TYR A 28 -5.837 4.791 -7.983 1.00 73.53 H new ATOM 0 HE1 TYR A 28 -9.389 2.230 -5.747 1.00 71.13 H new ATOM 0 HE2 TYR A 28 -7.875 4.197 -9.206 1.00 35.23 H new ATOM 0 HH TYR A 28 -9.832 3.195 -9.157 1.00 32.12 H new ATOM 428 N LYS A 29 -2.045 4.505 -5.350 1.00 61.20 N ATOM 429 CA LYS A 29 -0.830 5.154 -4.811 1.00 32.11 C ATOM 430 C LYS A 29 -0.489 6.416 -5.619 1.00 70.20 C ATOM 431 O LYS A 29 -0.397 6.359 -6.849 1.00 61.51 O ATOM 432 CB LYS A 29 0.362 4.156 -4.801 1.00 1.51 C ATOM 433 CG LYS A 29 1.702 4.695 -4.219 1.00 1.54 C ATOM 434 CD LYS A 29 2.667 5.305 -5.265 1.00 65.43 C ATOM 435 CE LYS A 29 3.959 5.846 -4.634 1.00 63.51 C ATOM 436 NZ LYS A 29 4.803 4.760 -4.098 1.00 32.40 N ATOM 0 H LYS A 29 -2.257 4.770 -6.312 1.00 61.20 H new ATOM 0 HA LYS A 29 -1.025 5.456 -3.782 1.00 32.11 H new ATOM 0 HB2 LYS A 29 0.068 3.277 -4.228 1.00 1.51 H new ATOM 0 HB3 LYS A 29 0.541 3.825 -5.824 1.00 1.51 H new ATOM 0 HG2 LYS A 29 1.477 5.452 -3.468 1.00 1.54 H new ATOM 0 HG3 LYS A 29 2.213 3.880 -3.706 1.00 1.54 H new ATOM 0 HD2 LYS A 29 2.919 4.547 -6.006 1.00 65.43 H new ATOM 0 HD3 LYS A 29 2.160 6.112 -5.794 1.00 65.43 H new ATOM 0 HE2 LYS A 29 4.520 6.408 -5.380 1.00 63.51 H new ATOM 0 HE3 LYS A 29 3.709 6.541 -3.833 1.00 63.51 H new ATOM 0 HZ1 LYS A 29 5.191 5.045 -3.176 1.00 32.40 H new ATOM 0 HZ2 LYS A 29 4.230 3.900 -3.982 1.00 32.40 H new ATOM 0 HZ3 LYS A 29 5.584 4.569 -4.758 1.00 32.40 H new ATOM 450 N ASP A 30 -0.300 7.549 -4.907 1.00 72.12 N ATOM 451 CA ASP A 30 0.094 8.855 -5.499 1.00 55.01 C ATOM 452 C ASP A 30 -0.979 9.376 -6.514 1.00 40.31 C ATOM 453 O ASP A 30 -0.699 10.201 -7.392 1.00 75.54 O ATOM 454 CB ASP A 30 1.516 8.728 -6.130 1.00 34.13 C ATOM 455 CG ASP A 30 2.169 10.071 -6.479 1.00 14.35 C ATOM 456 OD1 ASP A 30 2.500 10.833 -5.548 1.00 11.32 O ATOM 457 OD2 ASP A 30 2.360 10.372 -7.678 1.00 25.24 O ATOM 0 H ASP A 30 -0.417 7.587 -3.894 1.00 72.12 H new ATOM 0 HA ASP A 30 0.141 9.608 -4.713 1.00 55.01 H new ATOM 0 HB2 ASP A 30 2.163 8.191 -5.436 1.00 34.13 H new ATOM 0 HB3 ASP A 30 1.448 8.124 -7.035 1.00 34.13 H new ATOM 462 N GLY A 31 -2.229 8.893 -6.346 1.00 23.35 N ATOM 463 CA GLY A 31 -3.350 9.260 -7.223 1.00 22.11 C ATOM 464 C GLY A 31 -3.648 8.243 -8.336 1.00 52.14 C ATOM 465 O GLY A 31 -4.665 8.373 -9.027 1.00 44.22 O ATOM 0 H GLY A 31 -2.483 8.243 -5.603 1.00 23.35 H new ATOM 0 HA2 GLY A 31 -4.245 9.386 -6.614 1.00 22.11 H new ATOM 0 HA3 GLY A 31 -3.137 10.227 -7.679 1.00 22.11 H new ATOM 469 N GLU A 32 -2.779 7.225 -8.520 1.00 14.23 N ATOM 470 CA GLU A 32 -2.968 6.189 -9.574 1.00 54.01 C ATOM 471 C GLU A 32 -2.841 4.763 -8.994 1.00 62.13 C ATOM 472 O GLU A 32 -1.936 4.489 -8.210 1.00 3.22 O ATOM 473 CB GLU A 32 -1.951 6.380 -10.730 1.00 73.02 C ATOM 474 CG GLU A 32 -2.193 5.444 -11.940 1.00 55.02 C ATOM 475 CD GLU A 32 -1.143 5.596 -13.050 1.00 34.45 C ATOM 476 OE1 GLU A 32 -1.243 6.557 -13.846 1.00 73.43 O ATOM 477 OE2 GLU A 32 -0.217 4.761 -13.128 1.00 40.21 O ATOM 0 H GLU A 32 -1.939 7.094 -7.956 1.00 14.23 H new ATOM 0 HA GLU A 32 -3.977 6.311 -9.968 1.00 54.01 H new ATOM 0 HB2 GLU A 32 -1.992 7.415 -11.070 1.00 73.02 H new ATOM 0 HB3 GLU A 32 -0.945 6.210 -10.347 1.00 73.02 H new ATOM 0 HG2 GLU A 32 -2.198 4.410 -11.595 1.00 55.02 H new ATOM 0 HG3 GLU A 32 -3.181 5.647 -12.354 1.00 55.02 H new ATOM 484 N ARG A 33 -3.736 3.855 -9.435 1.00 33.13 N ATOM 485 CA ARG A 33 -3.796 2.456 -8.951 1.00 53.34 C ATOM 486 C ARG A 33 -2.465 1.685 -9.174 1.00 13.13 C ATOM 487 O ARG A 33 -1.746 1.926 -10.155 1.00 44.33 O ATOM 488 CB ARG A 33 -4.982 1.679 -9.625 1.00 64.42 C ATOM 489 CG ARG A 33 -4.719 1.197 -11.075 1.00 21.42 C ATOM 490 CD ARG A 33 -4.612 2.344 -12.103 1.00 11.01 C ATOM 491 NE ARG A 33 -3.839 1.946 -13.292 1.00 53.21 N ATOM 492 CZ ARG A 33 -4.117 2.263 -14.534 1.00 4.11 C ATOM 493 NH1 ARG A 33 -5.226 2.867 -14.849 1.00 2.00 N ATOM 494 NH2 ARG A 33 -3.290 1.933 -15.462 1.00 11.44 N ATOM 0 H ARG A 33 -4.441 4.070 -10.140 1.00 33.13 H new ATOM 0 HA ARG A 33 -3.965 2.512 -7.876 1.00 53.34 H new ATOM 0 HB2 ARG A 33 -5.223 0.812 -9.010 1.00 64.42 H new ATOM 0 HB3 ARG A 33 -5.862 2.323 -9.628 1.00 64.42 H new ATOM 0 HG2 ARG A 33 -3.796 0.618 -11.094 1.00 21.42 H new ATOM 0 HG3 ARG A 33 -5.523 0.525 -11.376 1.00 21.42 H new ATOM 0 HD2 ARG A 33 -5.612 2.653 -12.407 1.00 11.01 H new ATOM 0 HD3 ARG A 33 -4.140 3.208 -11.635 1.00 11.01 H new ATOM 0 HE ARG A 33 -3.011 1.371 -13.135 1.00 53.21 H new ATOM 0 HH11 ARG A 33 -5.902 3.104 -14.123 1.00 2.00 H new ATOM 0 HH12 ARG A 33 -5.419 3.103 -15.822 1.00 2.00 H new ATOM 0 HH21 ARG A 33 -2.433 1.432 -15.227 1.00 11.44 H new ATOM 0 HH22 ARG A 33 -3.491 2.172 -16.433 1.00 11.44 H new ATOM 508 N LEU A 34 -2.147 0.767 -8.248 1.00 44.05 N ATOM 509 CA LEU A 34 -1.024 -0.176 -8.413 1.00 21.44 C ATOM 510 C LEU A 34 -1.497 -1.436 -9.171 1.00 11.12 C ATOM 511 O LEU A 34 -2.574 -1.973 -8.889 1.00 34.21 O ATOM 512 CB LEU A 34 -0.410 -0.562 -7.039 1.00 25.25 C ATOM 513 CG LEU A 34 0.237 0.607 -6.223 1.00 11.35 C ATOM 514 CD1 LEU A 34 1.006 0.083 -5.001 1.00 32.30 C ATOM 515 CD2 LEU A 34 1.145 1.492 -7.119 1.00 1.10 C ATOM 0 H LEU A 34 -2.655 0.656 -7.370 1.00 44.05 H new ATOM 0 HA LEU A 34 -0.247 0.316 -8.998 1.00 21.44 H new ATOM 0 HB2 LEU A 34 -1.191 -1.015 -6.429 1.00 25.25 H new ATOM 0 HB3 LEU A 34 0.349 -1.326 -7.205 1.00 25.25 H new ATOM 0 HG LEU A 34 -0.576 1.233 -5.857 1.00 11.35 H new ATOM 0 HD11 LEU A 34 1.442 0.922 -4.458 1.00 32.30 H new ATOM 0 HD12 LEU A 34 0.323 -0.458 -4.346 1.00 32.30 H new ATOM 0 HD13 LEU A 34 1.800 -0.587 -5.331 1.00 32.30 H new ATOM 0 HD21 LEU A 34 1.577 2.293 -6.520 1.00 1.10 H new ATOM 0 HD22 LEU A 34 1.944 0.883 -7.541 1.00 1.10 H new ATOM 0 HD23 LEU A 34 0.552 1.922 -7.926 1.00 1.10 H new ATOM 527 N ALA A 35 -0.692 -1.870 -10.152 1.00 12.31 N ATOM 528 CA ALA A 35 -0.954 -3.090 -10.944 1.00 44.41 C ATOM 529 C ALA A 35 -0.259 -4.318 -10.307 1.00 4.43 C ATOM 530 O ALA A 35 0.680 -4.169 -9.516 1.00 22.12 O ATOM 531 CB ALA A 35 -0.472 -2.873 -12.391 1.00 74.03 C ATOM 0 H ALA A 35 0.164 -1.385 -10.423 1.00 12.31 H new ATOM 0 HA ALA A 35 -2.026 -3.288 -10.953 1.00 44.41 H new ATOM 0 HB1 ALA A 35 -0.664 -3.772 -12.977 1.00 74.03 H new ATOM 0 HB2 ALA A 35 -1.008 -2.032 -12.831 1.00 74.03 H new ATOM 0 HB3 ALA A 35 0.597 -2.662 -12.391 1.00 74.03 H new ATOM 537 N SER A 36 -0.726 -5.530 -10.666 1.00 64.42 N ATOM 538 CA SER A 36 -0.126 -6.801 -10.191 1.00 3.52 C ATOM 539 C SER A 36 1.247 -7.051 -10.878 1.00 25.41 C ATOM 540 O SER A 36 1.345 -7.731 -11.903 1.00 54.13 O ATOM 541 CB SER A 36 -1.109 -7.982 -10.430 1.00 5.51 C ATOM 542 OG SER A 36 -1.478 -8.096 -11.798 1.00 65.11 O ATOM 0 H SER A 36 -1.524 -5.660 -11.289 1.00 64.42 H new ATOM 0 HA SER A 36 0.054 -6.727 -9.119 1.00 3.52 H new ATOM 0 HB2 SER A 36 -0.646 -8.912 -10.100 1.00 5.51 H new ATOM 0 HB3 SER A 36 -2.003 -7.838 -9.824 1.00 5.51 H new ATOM 0 HG SER A 36 -0.677 -8.032 -12.359 1.00 65.11 H new ATOM 548 N GLN A 37 2.297 -6.438 -10.313 1.00 42.51 N ATOM 549 CA GLN A 37 3.679 -6.483 -10.860 1.00 51.53 C ATOM 550 C GLN A 37 4.577 -7.404 -9.987 1.00 63.42 C ATOM 551 O GLN A 37 4.192 -7.751 -8.871 1.00 14.35 O ATOM 552 CB GLN A 37 4.223 -5.022 -10.912 1.00 34.34 C ATOM 553 CG GLN A 37 5.580 -4.833 -11.626 1.00 24.11 C ATOM 554 CD GLN A 37 6.056 -3.375 -11.668 1.00 5.51 C ATOM 555 OE1 GLN A 37 5.755 -2.580 -10.784 1.00 1.13 O ATOM 556 NE2 GLN A 37 6.814 -3.016 -12.685 1.00 11.00 N ATOM 0 H GLN A 37 2.220 -5.890 -9.456 1.00 42.51 H new ATOM 0 HA GLN A 37 3.682 -6.903 -11.866 1.00 51.53 H new ATOM 0 HB2 GLN A 37 3.482 -4.396 -11.410 1.00 34.34 H new ATOM 0 HB3 GLN A 37 4.317 -4.653 -9.891 1.00 34.34 H new ATOM 0 HG2 GLN A 37 6.334 -5.438 -11.121 1.00 24.11 H new ATOM 0 HG3 GLN A 37 5.500 -5.209 -12.646 1.00 24.11 H new ATOM 0 HE21 GLN A 37 7.051 -3.695 -13.409 1.00 11.00 H new ATOM 0 HE22 GLN A 37 7.163 -2.060 -12.748 1.00 11.00 H new ATOM 565 N GLY A 38 5.760 -7.799 -10.506 1.00 45.02 N ATOM 566 CA GLY A 38 6.712 -8.650 -9.763 1.00 24.04 C ATOM 567 C GLY A 38 7.158 -8.062 -8.411 1.00 4.32 C ATOM 568 O GLY A 38 7.195 -8.771 -7.394 1.00 73.02 O ATOM 0 H GLY A 38 6.078 -7.540 -11.440 1.00 45.02 H new ATOM 0 HA2 GLY A 38 6.254 -9.624 -9.590 1.00 24.04 H new ATOM 0 HA3 GLY A 38 7.593 -8.818 -10.383 1.00 24.04 H new ATOM 572 N ARG A 39 7.484 -6.756 -8.407 1.00 71.52 N ATOM 573 CA ARG A 39 7.825 -6.013 -7.171 1.00 23.22 C ATOM 574 C ARG A 39 6.549 -5.645 -6.372 1.00 3.41 C ATOM 575 O ARG A 39 6.556 -5.689 -5.143 1.00 74.40 O ATOM 576 CB ARG A 39 8.646 -4.734 -7.500 1.00 64.03 C ATOM 577 CG ARG A 39 7.923 -3.712 -8.413 1.00 3.13 C ATOM 578 CD ARG A 39 8.736 -2.428 -8.648 1.00 55.12 C ATOM 579 NE ARG A 39 8.982 -1.687 -7.396 1.00 20.30 N ATOM 580 CZ ARG A 39 9.957 -0.826 -7.202 1.00 53.21 C ATOM 581 NH1 ARG A 39 10.833 -0.582 -8.126 1.00 4.51 N ATOM 582 NH2 ARG A 39 10.049 -0.218 -6.068 1.00 34.35 N ATOM 0 H ARG A 39 7.520 -6.186 -9.252 1.00 71.52 H new ATOM 0 HA ARG A 39 8.439 -6.666 -6.551 1.00 23.22 H new ATOM 0 HB2 ARG A 39 8.912 -4.240 -6.565 1.00 64.03 H new ATOM 0 HB3 ARG A 39 9.578 -5.032 -7.980 1.00 64.03 H new ATOM 0 HG2 ARG A 39 7.710 -4.180 -9.374 1.00 3.13 H new ATOM 0 HG3 ARG A 39 6.964 -3.450 -7.966 1.00 3.13 H new ATOM 0 HD2 ARG A 39 9.689 -2.683 -9.110 1.00 55.12 H new ATOM 0 HD3 ARG A 39 8.203 -1.786 -9.349 1.00 55.12 H new ATOM 0 HE ARG A 39 8.344 -1.856 -6.618 1.00 20.30 H new ATOM 0 HH11 ARG A 39 10.774 -1.062 -9.024 1.00 4.51 H new ATOM 0 HH12 ARG A 39 11.581 0.090 -7.955 1.00 4.51 H new ATOM 0 HH21 ARG A 39 9.369 -0.407 -5.331 1.00 34.35 H new ATOM 0 HH22 ARG A 39 10.802 0.452 -5.908 1.00 34.35 H new ATOM 596 N VAL A 40 5.454 -5.286 -7.094 1.00 42.05 N ATOM 597 CA VAL A 40 4.164 -4.883 -6.486 1.00 45.53 C ATOM 598 C VAL A 40 3.207 -6.107 -6.383 1.00 20.12 C ATOM 599 O VAL A 40 2.378 -6.361 -7.270 1.00 63.11 O ATOM 600 CB VAL A 40 3.490 -3.701 -7.289 1.00 13.32 C ATOM 601 CG1 VAL A 40 2.145 -3.274 -6.651 1.00 53.32 C ATOM 602 CG2 VAL A 40 4.449 -2.487 -7.415 1.00 53.54 C ATOM 0 H VAL A 40 5.444 -5.269 -8.114 1.00 42.05 H new ATOM 0 HA VAL A 40 4.366 -4.517 -5.479 1.00 45.53 H new ATOM 0 HB VAL A 40 3.280 -4.071 -8.292 1.00 13.32 H new ATOM 0 HG11 VAL A 40 1.710 -2.459 -7.230 1.00 53.32 H new ATOM 0 HG12 VAL A 40 1.459 -4.121 -6.646 1.00 53.32 H new ATOM 0 HG13 VAL A 40 2.317 -2.941 -5.628 1.00 53.32 H new ATOM 0 HG21 VAL A 40 3.956 -1.690 -7.972 1.00 53.54 H new ATOM 0 HG22 VAL A 40 4.711 -2.126 -6.421 1.00 53.54 H new ATOM 0 HG23 VAL A 40 5.354 -2.791 -7.941 1.00 53.54 H new ATOM 612 N GLN A 41 3.389 -6.897 -5.314 1.00 42.33 N ATOM 613 CA GLN A 41 2.564 -8.089 -5.028 1.00 50.10 C ATOM 614 C GLN A 41 1.232 -7.698 -4.347 1.00 33.22 C ATOM 615 O GLN A 41 1.215 -7.325 -3.171 1.00 72.33 O ATOM 616 CB GLN A 41 3.351 -9.081 -4.130 1.00 61.55 C ATOM 617 CG GLN A 41 4.643 -9.644 -4.754 1.00 61.04 C ATOM 618 CD GLN A 41 4.394 -10.503 -5.998 1.00 22.53 C ATOM 619 OE1 GLN A 41 4.157 -11.701 -5.908 1.00 41.52 O ATOM 620 NE2 GLN A 41 4.456 -9.905 -7.167 1.00 5.43 N ATOM 0 H GLN A 41 4.115 -6.729 -4.618 1.00 42.33 H new ATOM 0 HA GLN A 41 2.330 -8.572 -5.976 1.00 50.10 H new ATOM 0 HB2 GLN A 41 3.606 -8.579 -3.197 1.00 61.55 H new ATOM 0 HB3 GLN A 41 2.696 -9.914 -3.875 1.00 61.55 H new ATOM 0 HG2 GLN A 41 5.300 -8.816 -5.019 1.00 61.04 H new ATOM 0 HG3 GLN A 41 5.168 -10.241 -4.008 1.00 61.04 H new ATOM 0 HE21 GLN A 41 4.655 -8.906 -7.219 1.00 5.43 H new ATOM 0 HE22 GLN A 41 4.305 -10.440 -8.022 1.00 5.43 H new ATOM 629 N LEU A 42 0.126 -7.769 -5.106 1.00 50.52 N ATOM 630 CA LEU A 42 -1.233 -7.524 -4.580 1.00 52.04 C ATOM 631 C LEU A 42 -1.909 -8.847 -4.168 1.00 41.40 C ATOM 632 O LEU A 42 -2.371 -9.610 -5.018 1.00 43.13 O ATOM 633 CB LEU A 42 -2.095 -6.776 -5.636 1.00 72.50 C ATOM 634 CG LEU A 42 -1.623 -5.335 -5.996 1.00 45.04 C ATOM 635 CD1 LEU A 42 -2.595 -4.660 -6.983 1.00 53.14 C ATOM 636 CD2 LEU A 42 -1.457 -4.475 -4.730 1.00 33.53 C ATOM 0 H LEU A 42 0.145 -7.997 -6.100 1.00 50.52 H new ATOM 0 HA LEU A 42 -1.148 -6.897 -3.693 1.00 52.04 H new ATOM 0 HB2 LEU A 42 -2.115 -7.371 -6.549 1.00 72.50 H new ATOM 0 HB3 LEU A 42 -3.120 -6.722 -5.269 1.00 72.50 H new ATOM 0 HG LEU A 42 -0.651 -5.420 -6.482 1.00 45.04 H new ATOM 0 HD11 LEU A 42 -2.239 -3.656 -7.215 1.00 53.14 H new ATOM 0 HD12 LEU A 42 -2.649 -5.247 -7.900 1.00 53.14 H new ATOM 0 HD13 LEU A 42 -3.586 -4.599 -6.533 1.00 53.14 H new ATOM 0 HD21 LEU A 42 -1.127 -3.475 -5.010 1.00 33.53 H new ATOM 0 HD22 LEU A 42 -2.411 -4.409 -4.207 1.00 33.53 H new ATOM 0 HD23 LEU A 42 -0.715 -4.931 -4.075 1.00 33.53 H new ATOM 648 N GLU A 43 -1.925 -9.119 -2.860 1.00 22.01 N ATOM 649 CA GLU A 43 -2.606 -10.290 -2.283 1.00 51.43 C ATOM 650 C GLU A 43 -4.047 -9.910 -1.874 1.00 12.14 C ATOM 651 O GLU A 43 -4.264 -9.284 -0.826 1.00 71.11 O ATOM 652 CB GLU A 43 -1.813 -10.813 -1.054 1.00 13.31 C ATOM 653 CG GLU A 43 -2.367 -12.112 -0.436 1.00 52.05 C ATOM 654 CD GLU A 43 -1.662 -12.491 0.876 1.00 52.13 C ATOM 655 OE1 GLU A 43 -0.542 -13.043 0.830 1.00 72.42 O ATOM 656 OE2 GLU A 43 -2.219 -12.221 1.958 1.00 73.15 O ATOM 0 H GLU A 43 -1.464 -8.532 -2.165 1.00 22.01 H new ATOM 0 HA GLU A 43 -2.652 -11.083 -3.030 1.00 51.43 H new ATOM 0 HB2 GLU A 43 -0.778 -10.981 -1.351 1.00 13.31 H new ATOM 0 HB3 GLU A 43 -1.803 -10.038 -0.288 1.00 13.31 H new ATOM 0 HG2 GLU A 43 -3.434 -11.995 -0.250 1.00 52.05 H new ATOM 0 HG3 GLU A 43 -2.256 -12.926 -1.152 1.00 52.05 H new ATOM 663 N GLN A 44 -5.023 -10.240 -2.736 1.00 42.31 N ATOM 664 CA GLN A 44 -6.453 -10.076 -2.416 1.00 72.22 C ATOM 665 C GLN A 44 -6.936 -11.354 -1.693 1.00 33.41 C ATOM 666 O GLN A 44 -7.167 -12.393 -2.329 1.00 22.54 O ATOM 667 CB GLN A 44 -7.271 -9.791 -3.727 1.00 33.11 C ATOM 668 CG GLN A 44 -8.673 -9.136 -3.544 1.00 20.54 C ATOM 669 CD GLN A 44 -9.750 -10.039 -2.922 1.00 44.33 C ATOM 670 OE1 GLN A 44 -9.875 -10.020 -1.608 1.00 42.22 O flip ATOM 671 NE2 GLN A 44 -10.460 -10.753 -3.619 1.00 74.13 N flip ATOM 0 H GLN A 44 -4.847 -10.624 -3.665 1.00 42.31 H new ATOM 0 HA GLN A 44 -6.607 -9.222 -1.757 1.00 72.22 H new ATOM 0 HB2 GLN A 44 -6.673 -9.143 -4.368 1.00 33.11 H new ATOM 0 HB3 GLN A 44 -7.402 -10.733 -4.259 1.00 33.11 H new ATOM 0 HG2 GLN A 44 -8.562 -8.250 -2.919 1.00 20.54 H new ATOM 0 HG3 GLN A 44 -9.026 -8.797 -4.518 1.00 20.54 H new ATOM 0 HE21 GLN A 44 -10.346 -10.752 -4.633 1.00 74.13 H new ATOM 0 HE22 GLN A 44 -11.165 -11.349 -3.186 1.00 74.13 H new ATOM 680 N ALA A 45 -7.065 -11.267 -0.360 1.00 62.10 N ATOM 681 CA ALA A 45 -7.494 -12.393 0.503 1.00 4.04 C ATOM 682 C ALA A 45 -8.816 -12.058 1.231 1.00 74.41 C ATOM 683 O ALA A 45 -9.380 -10.971 1.037 1.00 2.35 O ATOM 684 CB ALA A 45 -6.368 -12.732 1.510 1.00 64.03 C ATOM 0 H ALA A 45 -6.875 -10.410 0.159 1.00 62.10 H new ATOM 0 HA ALA A 45 -7.681 -13.268 -0.120 1.00 4.04 H new ATOM 0 HB1 ALA A 45 -6.684 -13.560 2.144 1.00 64.03 H new ATOM 0 HB2 ALA A 45 -5.467 -13.015 0.966 1.00 64.03 H new ATOM 0 HB3 ALA A 45 -6.159 -11.860 2.129 1.00 64.03 H new ATOM 690 N GLY A 46 -9.299 -13.009 2.062 1.00 74.31 N ATOM 691 CA GLY A 46 -10.535 -12.832 2.852 1.00 3.21 C ATOM 692 C GLY A 46 -10.430 -11.692 3.874 1.00 71.20 C ATOM 693 O GLY A 46 -9.968 -11.908 4.999 1.00 14.24 O ATOM 0 H GLY A 46 -8.847 -13.912 2.202 1.00 74.31 H new ATOM 0 HA2 GLY A 46 -11.367 -12.633 2.177 1.00 3.21 H new ATOM 0 HA3 GLY A 46 -10.764 -13.761 3.374 1.00 3.21 H new ATOM 697 N ALA A 47 -10.799 -10.464 3.420 1.00 73.11 N ATOM 698 CA ALA A 47 -10.709 -9.177 4.187 1.00 33.42 C ATOM 699 C ALA A 47 -9.256 -8.622 4.295 1.00 63.51 C ATOM 700 O ALA A 47 -9.058 -7.401 4.415 1.00 0.13 O ATOM 701 CB ALA A 47 -11.375 -9.272 5.578 1.00 73.41 C ATOM 0 H ALA A 47 -11.180 -10.331 2.483 1.00 73.11 H new ATOM 0 HA ALA A 47 -11.275 -8.455 3.599 1.00 33.42 H new ATOM 0 HB1 ALA A 47 -11.282 -8.315 6.092 1.00 73.41 H new ATOM 0 HB2 ALA A 47 -12.430 -9.520 5.460 1.00 73.41 H new ATOM 0 HB3 ALA A 47 -10.883 -10.048 6.165 1.00 73.41 H new ATOM 707 N ARG A 48 -8.245 -9.515 4.256 1.00 11.21 N ATOM 708 CA ARG A 48 -6.822 -9.137 4.353 1.00 63.10 C ATOM 709 C ARG A 48 -6.256 -8.748 2.967 1.00 32.14 C ATOM 710 O ARG A 48 -6.015 -9.609 2.119 1.00 32.04 O ATOM 711 CB ARG A 48 -5.994 -10.306 4.956 1.00 61.44 C ATOM 712 CG ARG A 48 -4.525 -9.938 5.267 1.00 41.04 C ATOM 713 CD ARG A 48 -3.697 -11.134 5.773 1.00 62.10 C ATOM 714 NE ARG A 48 -3.444 -12.131 4.709 1.00 74.10 N ATOM 715 CZ ARG A 48 -3.469 -13.441 4.858 1.00 51.50 C ATOM 716 NH1 ARG A 48 -3.853 -13.988 5.965 1.00 22.33 N ATOM 717 NH2 ARG A 48 -3.127 -14.199 3.869 1.00 65.53 N ATOM 0 H ARG A 48 -8.394 -10.519 4.156 1.00 11.21 H new ATOM 0 HA ARG A 48 -6.747 -8.270 5.010 1.00 63.10 H new ATOM 0 HB2 ARG A 48 -6.476 -10.644 5.874 1.00 61.44 H new ATOM 0 HB3 ARG A 48 -6.009 -11.145 4.261 1.00 61.44 H new ATOM 0 HG2 ARG A 48 -4.059 -9.536 4.367 1.00 41.04 H new ATOM 0 HG3 ARG A 48 -4.506 -9.147 6.017 1.00 41.04 H new ATOM 0 HD2 ARG A 48 -2.746 -10.775 6.165 1.00 62.10 H new ATOM 0 HD3 ARG A 48 -4.222 -11.613 6.600 1.00 62.10 H new ATOM 0 HE ARG A 48 -3.231 -11.773 3.778 1.00 74.10 H new ATOM 0 HH11 ARG A 48 -4.146 -13.404 6.748 1.00 22.33 H new ATOM 0 HH12 ARG A 48 -3.863 -15.004 6.055 1.00 22.33 H new ATOM 0 HH21 ARG A 48 -2.841 -13.783 2.983 1.00 65.53 H new ATOM 0 HH22 ARG A 48 -3.143 -15.213 3.975 1.00 65.53 H new ATOM 731 N GLN A 49 -6.075 -7.442 2.742 1.00 62.45 N ATOM 732 CA GLN A 49 -5.412 -6.916 1.530 1.00 64.32 C ATOM 733 C GLN A 49 -3.944 -6.594 1.846 1.00 64.43 C ATOM 734 O GLN A 49 -3.656 -5.693 2.643 1.00 73.32 O ATOM 735 CB GLN A 49 -6.144 -5.653 1.011 1.00 13.11 C ATOM 736 CG GLN A 49 -7.626 -5.863 0.691 1.00 24.42 C ATOM 737 CD GLN A 49 -7.847 -6.841 -0.462 1.00 1.22 C ATOM 738 OE1 GLN A 49 -7.810 -6.331 -1.678 1.00 2.34 O flip ATOM 739 NE2 GLN A 49 -8.019 -8.039 -0.267 1.00 15.34 N flip ATOM 0 H GLN A 49 -6.381 -6.716 3.390 1.00 62.45 H new ATOM 0 HA GLN A 49 -5.452 -7.674 0.748 1.00 64.32 H new ATOM 0 HB2 GLN A 49 -6.055 -4.865 1.758 1.00 13.11 H new ATOM 0 HB3 GLN A 49 -5.638 -5.299 0.113 1.00 13.11 H new ATOM 0 HG2 GLN A 49 -8.136 -6.234 1.580 1.00 24.42 H new ATOM 0 HG3 GLN A 49 -8.079 -4.904 0.440 1.00 24.42 H new ATOM 0 HE21 GLN A 49 -8.043 -8.402 0.686 1.00 15.34 H new ATOM 0 HE22 GLN A 49 -8.138 -8.672 -1.058 1.00 15.34 H new ATOM 748 N VAL A 50 -3.020 -7.362 1.254 1.00 24.25 N ATOM 749 CA VAL A 50 -1.576 -7.159 1.453 1.00 64.12 C ATOM 750 C VAL A 50 -0.918 -6.603 0.172 1.00 13.03 C ATOM 751 O VAL A 50 -0.796 -7.302 -0.834 1.00 53.33 O ATOM 752 CB VAL A 50 -0.869 -8.488 1.898 1.00 30.14 C ATOM 753 CG1 VAL A 50 0.642 -8.264 2.144 1.00 32.41 C ATOM 754 CG2 VAL A 50 -1.552 -9.087 3.149 1.00 54.20 C ATOM 0 H VAL A 50 -3.248 -8.135 0.629 1.00 24.25 H new ATOM 0 HA VAL A 50 -1.454 -6.427 2.252 1.00 64.12 H new ATOM 0 HB VAL A 50 -0.969 -9.206 1.084 1.00 30.14 H new ATOM 0 HG11 VAL A 50 1.104 -9.202 2.451 1.00 32.41 H new ATOM 0 HG12 VAL A 50 1.112 -7.912 1.226 1.00 32.41 H new ATOM 0 HG13 VAL A 50 0.776 -7.520 2.929 1.00 32.41 H new ATOM 0 HG21 VAL A 50 -1.043 -10.007 3.436 1.00 54.20 H new ATOM 0 HG22 VAL A 50 -1.499 -8.372 3.970 1.00 54.20 H new ATOM 0 HG23 VAL A 50 -2.596 -9.305 2.924 1.00 54.20 H new ATOM 764 N LEU A 51 -0.520 -5.326 0.226 1.00 43.40 N ATOM 765 CA LEU A 51 0.308 -4.683 -0.811 1.00 5.43 C ATOM 766 C LEU A 51 1.789 -4.782 -0.391 1.00 41.54 C ATOM 767 O LEU A 51 2.181 -4.259 0.636 1.00 64.31 O ATOM 768 CB LEU A 51 -0.179 -3.205 -1.029 1.00 1.22 C ATOM 769 CG LEU A 51 0.684 -2.209 -1.904 1.00 52.41 C ATOM 770 CD1 LEU A 51 1.777 -1.499 -1.076 1.00 73.21 C ATOM 771 CD2 LEU A 51 1.295 -2.901 -3.140 1.00 61.33 C ATOM 0 H LEU A 51 -0.764 -4.702 0.995 1.00 43.40 H new ATOM 0 HA LEU A 51 0.206 -5.188 -1.771 1.00 5.43 H new ATOM 0 HB2 LEU A 51 -1.172 -3.253 -1.477 1.00 1.22 H new ATOM 0 HB3 LEU A 51 -0.296 -2.753 -0.044 1.00 1.22 H new ATOM 0 HG LEU A 51 -0.006 -1.444 -2.260 1.00 52.41 H new ATOM 0 HD11 LEU A 51 2.342 -0.826 -1.721 1.00 73.21 H new ATOM 0 HD12 LEU A 51 1.311 -0.927 -0.274 1.00 73.21 H new ATOM 0 HD13 LEU A 51 2.450 -2.242 -0.648 1.00 73.21 H new ATOM 0 HD21 LEU A 51 1.879 -2.178 -3.710 1.00 61.33 H new ATOM 0 HD22 LEU A 51 1.942 -3.717 -2.818 1.00 61.33 H new ATOM 0 HD23 LEU A 51 0.496 -3.298 -3.767 1.00 61.33 H new ATOM 783 N ARG A 52 2.589 -5.479 -1.197 1.00 32.04 N ATOM 784 CA ARG A 52 4.047 -5.569 -1.016 1.00 31.51 C ATOM 785 C ARG A 52 4.762 -4.860 -2.175 1.00 31.10 C ATOM 786 O ARG A 52 4.585 -5.249 -3.319 1.00 31.22 O ATOM 787 CB ARG A 52 4.477 -7.060 -0.940 1.00 62.23 C ATOM 788 CG ARG A 52 4.100 -7.748 0.385 1.00 54.11 C ATOM 789 CD ARG A 52 4.404 -9.258 0.401 1.00 64.41 C ATOM 790 NE ARG A 52 3.374 -10.049 -0.305 1.00 3.35 N ATOM 791 CZ ARG A 52 2.477 -10.823 0.280 1.00 25.04 C ATOM 792 NH1 ARG A 52 2.432 -10.943 1.574 1.00 63.45 N ATOM 793 NH2 ARG A 52 1.624 -11.468 -0.438 1.00 32.45 N ATOM 0 H ARG A 52 2.246 -6.003 -2.002 1.00 32.04 H new ATOM 0 HA ARG A 52 4.326 -5.078 -0.084 1.00 31.51 H new ATOM 0 HB2 ARG A 52 4.017 -7.604 -1.765 1.00 62.23 H new ATOM 0 HB3 ARG A 52 5.556 -7.125 -1.078 1.00 62.23 H new ATOM 0 HG2 ARG A 52 4.640 -7.268 1.201 1.00 54.11 H new ATOM 0 HG3 ARG A 52 3.037 -7.597 0.574 1.00 54.11 H new ATOM 0 HD2 ARG A 52 5.375 -9.435 -0.062 1.00 64.41 H new ATOM 0 HD3 ARG A 52 4.476 -9.600 1.433 1.00 64.41 H new ATOM 0 HE ARG A 52 3.354 -9.993 -1.323 1.00 3.35 H new ATOM 0 HH11 ARG A 52 3.097 -10.434 2.157 1.00 63.45 H new ATOM 0 HH12 ARG A 52 1.732 -11.546 2.006 1.00 63.45 H new ATOM 0 HH21 ARG A 52 1.643 -11.380 -1.454 1.00 32.45 H new ATOM 0 HH22 ARG A 52 0.930 -12.067 0.009 1.00 32.45 H new ATOM 807 N VAL A 53 5.529 -3.788 -1.883 1.00 75.43 N ATOM 808 CA VAL A 53 6.413 -3.140 -2.883 1.00 25.13 C ATOM 809 C VAL A 53 7.892 -3.370 -2.497 1.00 32.12 C ATOM 810 O VAL A 53 8.426 -2.727 -1.584 1.00 0.04 O ATOM 811 CB VAL A 53 6.145 -1.595 -3.056 1.00 13.12 C ATOM 812 CG1 VAL A 53 7.079 -0.989 -4.144 1.00 62.20 C ATOM 813 CG2 VAL A 53 4.662 -1.310 -3.389 1.00 45.44 C ATOM 0 H VAL A 53 5.556 -3.350 -0.962 1.00 75.43 H new ATOM 0 HA VAL A 53 6.188 -3.604 -3.843 1.00 25.13 H new ATOM 0 HB VAL A 53 6.369 -1.115 -2.104 1.00 13.12 H new ATOM 0 HG11 VAL A 53 6.876 0.077 -4.245 1.00 62.20 H new ATOM 0 HG12 VAL A 53 8.119 -1.134 -3.852 1.00 62.20 H new ATOM 0 HG13 VAL A 53 6.897 -1.485 -5.097 1.00 62.20 H new ATOM 0 HG21 VAL A 53 4.514 -0.236 -3.501 1.00 45.44 H new ATOM 0 HG22 VAL A 53 4.395 -1.812 -4.319 1.00 45.44 H new ATOM 0 HG23 VAL A 53 4.030 -1.681 -2.582 1.00 45.44 H new ATOM 823 N GLN A 54 8.525 -4.337 -3.172 1.00 32.53 N ATOM 824 CA GLN A 54 9.981 -4.547 -3.095 1.00 4.44 C ATOM 825 C GLN A 54 10.706 -3.464 -3.920 1.00 45.15 C ATOM 826 O GLN A 54 10.253 -3.104 -5.011 1.00 15.24 O ATOM 827 CB GLN A 54 10.340 -5.965 -3.595 1.00 44.05 C ATOM 828 CG GLN A 54 9.723 -7.091 -2.740 1.00 23.30 C ATOM 829 CD GLN A 54 10.063 -8.503 -3.228 1.00 4.11 C ATOM 830 OE1 GLN A 54 10.251 -8.743 -4.415 1.00 2.12 O ATOM 831 NE2 GLN A 54 10.134 -9.450 -2.315 1.00 71.21 N ATOM 0 H GLN A 54 8.046 -4.996 -3.786 1.00 32.53 H new ATOM 0 HA GLN A 54 10.307 -4.464 -2.058 1.00 4.44 H new ATOM 0 HB2 GLN A 54 10.002 -6.075 -4.626 1.00 44.05 H new ATOM 0 HB3 GLN A 54 11.424 -6.076 -3.601 1.00 44.05 H new ATOM 0 HG2 GLN A 54 10.066 -6.981 -1.711 1.00 23.30 H new ATOM 0 HG3 GLN A 54 8.639 -6.973 -2.729 1.00 23.30 H new ATOM 0 HE21 GLN A 54 9.973 -9.225 -1.333 1.00 71.21 H new ATOM 0 HE22 GLN A 54 10.350 -10.408 -2.590 1.00 71.21 H new ATOM 840 N GLY A 55 11.825 -2.957 -3.390 1.00 13.55 N ATOM 841 CA GLY A 55 12.479 -1.762 -3.938 1.00 50.40 C ATOM 842 C GLY A 55 11.946 -0.466 -3.310 1.00 75.10 C ATOM 843 O GLY A 55 11.980 0.599 -3.940 1.00 23.12 O ATOM 0 H GLY A 55 12.298 -3.357 -2.580 1.00 13.55 H new ATOM 0 HA2 GLY A 55 13.554 -1.829 -3.770 1.00 50.40 H new ATOM 0 HA3 GLY A 55 12.327 -1.730 -5.017 1.00 50.40 H new ATOM 847 N ALA A 56 11.445 -0.560 -2.057 1.00 20.51 N ATOM 848 CA ALA A 56 10.915 0.603 -1.307 1.00 63.31 C ATOM 849 C ALA A 56 12.062 1.500 -0.782 1.00 51.15 C ATOM 850 O ALA A 56 12.529 1.320 0.343 1.00 11.42 O ATOM 851 CB ALA A 56 10.014 0.128 -0.148 1.00 72.10 C ATOM 0 H ALA A 56 11.397 -1.438 -1.540 1.00 20.51 H new ATOM 0 HA ALA A 56 10.313 1.203 -1.990 1.00 63.31 H new ATOM 0 HB1 ALA A 56 9.632 0.993 0.394 1.00 72.10 H new ATOM 0 HB2 ALA A 56 9.179 -0.447 -0.548 1.00 72.10 H new ATOM 0 HB3 ALA A 56 10.594 -0.498 0.530 1.00 72.10 H new ATOM 857 N ARG A 57 12.519 2.457 -1.616 1.00 64.34 N ATOM 858 CA ARG A 57 13.685 3.319 -1.303 1.00 32.42 C ATOM 859 C ARG A 57 13.340 4.828 -1.460 1.00 62.40 C ATOM 860 O ARG A 57 13.006 5.493 -0.482 1.00 34.31 O ATOM 861 CB ARG A 57 14.881 2.909 -2.211 1.00 22.31 C ATOM 862 CG ARG A 57 16.207 3.666 -1.951 1.00 20.13 C ATOM 863 CD ARG A 57 17.308 3.273 -2.955 1.00 40.35 C ATOM 864 NE ARG A 57 18.576 3.986 -2.716 1.00 52.34 N ATOM 865 CZ ARG A 57 19.676 3.837 -3.429 1.00 54.21 C ATOM 866 NH1 ARG A 57 19.728 3.007 -4.428 1.00 4.24 N ATOM 867 NH2 ARG A 57 20.732 4.514 -3.126 1.00 64.14 N ATOM 0 H ARG A 57 12.095 2.656 -2.522 1.00 64.34 H new ATOM 0 HA ARG A 57 13.964 3.173 -0.260 1.00 32.42 H new ATOM 0 HB2 ARG A 57 15.062 1.842 -2.084 1.00 22.31 H new ATOM 0 HB3 ARG A 57 14.594 3.062 -3.251 1.00 22.31 H new ATOM 0 HG2 ARG A 57 16.028 4.740 -2.012 1.00 20.13 H new ATOM 0 HG3 ARG A 57 16.550 3.457 -0.938 1.00 20.13 H new ATOM 0 HD2 ARG A 57 17.483 2.199 -2.894 1.00 40.35 H new ATOM 0 HD3 ARG A 57 16.963 3.483 -3.967 1.00 40.35 H new ATOM 0 HE ARG A 57 18.605 4.646 -1.939 1.00 52.34 H new ATOM 0 HH11 ARG A 57 18.907 2.454 -4.675 1.00 4.24 H new ATOM 0 HH12 ARG A 57 20.590 2.909 -4.965 1.00 4.24 H new ATOM 0 HH21 ARG A 57 20.714 5.161 -2.338 1.00 64.14 H new ATOM 0 HH22 ARG A 57 21.585 4.402 -3.675 1.00 64.14 H new ATOM 881 N SER A 58 13.399 5.356 -2.700 1.00 74.31 N ATOM 882 CA SER A 58 13.224 6.808 -2.976 1.00 61.22 C ATOM 883 C SER A 58 11.750 7.150 -3.310 1.00 55.15 C ATOM 884 O SER A 58 11.039 7.740 -2.488 1.00 13.24 O ATOM 885 CB SER A 58 14.171 7.245 -4.123 1.00 51.54 C ATOM 886 OG SER A 58 15.530 6.956 -3.811 1.00 44.14 O ATOM 0 H SER A 58 13.568 4.797 -3.537 1.00 74.31 H new ATOM 0 HA SER A 58 13.485 7.362 -2.074 1.00 61.22 H new ATOM 0 HB2 SER A 58 13.890 6.734 -5.044 1.00 51.54 H new ATOM 0 HB3 SER A 58 14.057 8.314 -4.304 1.00 51.54 H new ATOM 0 HG SER A 58 16.104 7.241 -4.553 1.00 44.14 H new ATOM 892 N GLY A 59 11.277 6.716 -4.499 1.00 55.43 N ATOM 893 CA GLY A 59 9.927 7.066 -4.999 1.00 11.25 C ATOM 894 C GLY A 59 8.790 6.166 -4.473 1.00 20.44 C ATOM 895 O GLY A 59 7.761 5.996 -5.141 1.00 14.15 O ATOM 0 H GLY A 59 11.811 6.121 -5.132 1.00 55.43 H new ATOM 0 HA2 GLY A 59 9.710 8.099 -4.726 1.00 11.25 H new ATOM 0 HA3 GLY A 59 9.935 7.019 -6.088 1.00 11.25 H new ATOM 899 N ASP A 60 8.968 5.603 -3.266 1.00 33.31 N ATOM 900 CA ASP A 60 7.958 4.742 -2.612 1.00 32.04 C ATOM 901 C ASP A 60 7.048 5.577 -1.669 1.00 41.11 C ATOM 902 O ASP A 60 5.857 5.281 -1.519 1.00 31.20 O ATOM 903 CB ASP A 60 8.666 3.611 -1.826 1.00 12.51 C ATOM 904 CG ASP A 60 7.677 2.582 -1.245 1.00 30.01 C ATOM 905 OD1 ASP A 60 7.257 1.672 -1.990 1.00 73.30 O ATOM 906 OD2 ASP A 60 7.302 2.696 -0.055 1.00 2.35 O ATOM 0 H ASP A 60 9.816 5.730 -2.713 1.00 33.31 H new ATOM 0 HA ASP A 60 7.325 4.298 -3.380 1.00 32.04 H new ATOM 0 HB2 ASP A 60 9.369 3.101 -2.485 1.00 12.51 H new ATOM 0 HB3 ASP A 60 9.248 4.047 -1.015 1.00 12.51 H new ATOM 911 N ALA A 61 7.624 6.639 -1.074 1.00 53.43 N ATOM 912 CA ALA A 61 6.954 7.475 -0.060 1.00 54.41 C ATOM 913 C ALA A 61 5.774 8.265 -0.674 1.00 44.42 C ATOM 914 O ALA A 61 5.980 9.210 -1.446 1.00 31.01 O ATOM 915 CB ALA A 61 7.976 8.423 0.593 1.00 64.13 C ATOM 0 H ALA A 61 8.574 6.943 -1.285 1.00 53.43 H new ATOM 0 HA ALA A 61 6.540 6.823 0.709 1.00 54.41 H new ATOM 0 HB1 ALA A 61 7.476 9.038 1.341 1.00 64.13 H new ATOM 0 HB2 ALA A 61 8.762 7.838 1.071 1.00 64.13 H new ATOM 0 HB3 ALA A 61 8.416 9.066 -0.170 1.00 64.13 H new ATOM 921 N GLY A 62 4.543 7.846 -0.340 1.00 32.45 N ATOM 922 CA GLY A 62 3.347 8.413 -0.958 1.00 1.02 C ATOM 923 C GLY A 62 2.040 7.988 -0.294 1.00 74.35 C ATOM 924 O GLY A 62 2.040 7.209 0.669 1.00 70.02 O ATOM 0 H GLY A 62 4.356 7.120 0.352 1.00 32.45 H new ATOM 0 HA2 GLY A 62 3.418 9.500 -0.932 1.00 1.02 H new ATOM 0 HA3 GLY A 62 3.320 8.121 -2.008 1.00 1.02 H new ATOM 928 N GLU A 63 0.914 8.522 -0.808 1.00 53.11 N ATOM 929 CA GLU A 63 -0.437 8.190 -0.309 1.00 41.51 C ATOM 930 C GLU A 63 -0.953 6.912 -0.989 1.00 30.33 C ATOM 931 O GLU A 63 -1.277 6.922 -2.177 1.00 71.54 O ATOM 932 CB GLU A 63 -1.452 9.347 -0.560 1.00 52.12 C ATOM 933 CG GLU A 63 -1.149 10.688 0.150 1.00 21.22 C ATOM 934 CD GLU A 63 0.119 11.387 -0.366 1.00 11.02 C ATOM 935 OE1 GLU A 63 0.119 11.838 -1.529 1.00 61.43 O ATOM 936 OE2 GLU A 63 1.133 11.437 0.358 1.00 31.42 O ATOM 0 H GLU A 63 0.914 9.192 -1.577 1.00 53.11 H new ATOM 0 HA GLU A 63 -0.354 8.036 0.767 1.00 41.51 H new ATOM 0 HB2 GLU A 63 -1.503 9.531 -1.633 1.00 52.12 H new ATOM 0 HB3 GLU A 63 -2.440 9.010 -0.247 1.00 52.12 H new ATOM 0 HG2 GLU A 63 -2.000 11.357 0.022 1.00 21.22 H new ATOM 0 HG3 GLU A 63 -1.044 10.507 1.220 1.00 21.22 H new ATOM 943 N TYR A 64 -1.023 5.820 -0.230 1.00 63.23 N ATOM 944 CA TYR A 64 -1.613 4.545 -0.688 1.00 31.01 C ATOM 945 C TYR A 64 -3.095 4.474 -0.273 1.00 55.44 C ATOM 946 O TYR A 64 -3.507 5.147 0.672 1.00 14.51 O ATOM 947 CB TYR A 64 -0.829 3.342 -0.122 1.00 74.34 C ATOM 948 CG TYR A 64 0.602 3.196 -0.670 1.00 21.41 C ATOM 949 CD1 TYR A 64 1.602 4.117 -0.351 1.00 44.54 C ATOM 950 CD2 TYR A 64 0.956 2.121 -1.495 1.00 1.24 C ATOM 951 CE1 TYR A 64 2.890 3.975 -0.829 1.00 2.02 C ATOM 952 CE2 TYR A 64 2.245 1.980 -1.968 1.00 45.13 C ATOM 953 CZ TYR A 64 3.206 2.903 -1.630 1.00 12.45 C ATOM 954 OH TYR A 64 4.487 2.763 -2.111 1.00 13.32 O ATOM 0 H TYR A 64 -0.672 5.786 0.727 1.00 63.23 H new ATOM 0 HA TYR A 64 -1.550 4.502 -1.775 1.00 31.01 H new ATOM 0 HB2 TYR A 64 -0.781 3.434 0.963 1.00 74.34 H new ATOM 0 HB3 TYR A 64 -1.383 2.429 -0.340 1.00 74.34 H new ATOM 0 HD1 TYR A 64 1.363 4.958 0.283 1.00 44.54 H new ATOM 0 HD2 TYR A 64 0.208 1.390 -1.766 1.00 1.24 H new ATOM 0 HE1 TYR A 64 3.646 4.703 -0.575 1.00 2.02 H new ATOM 0 HE2 TYR A 64 2.499 1.145 -2.604 1.00 45.13 H new ATOM 0 HH TYR A 64 5.015 3.553 -1.872 1.00 13.32 H new ATOM 964 N LEU A 65 -3.901 3.684 -0.993 1.00 4.21 N ATOM 965 CA LEU A 65 -5.364 3.650 -0.785 1.00 12.41 C ATOM 966 C LEU A 65 -5.944 2.231 -0.978 1.00 1.02 C ATOM 967 O LEU A 65 -6.091 1.758 -2.108 1.00 25.55 O ATOM 968 CB LEU A 65 -6.041 4.672 -1.741 1.00 41.42 C ATOM 969 CG LEU A 65 -7.590 4.806 -1.635 1.00 53.44 C ATOM 970 CD1 LEU A 65 -8.022 5.155 -0.196 1.00 60.41 C ATOM 971 CD2 LEU A 65 -8.126 5.840 -2.656 1.00 1.40 C ATOM 0 H LEU A 65 -3.570 3.057 -1.726 1.00 4.21 H new ATOM 0 HA LEU A 65 -5.574 3.929 0.248 1.00 12.41 H new ATOM 0 HB2 LEU A 65 -5.601 5.652 -1.559 1.00 41.42 H new ATOM 0 HB3 LEU A 65 -5.792 4.397 -2.766 1.00 41.42 H new ATOM 0 HG LEU A 65 -8.030 3.840 -1.881 1.00 53.44 H new ATOM 0 HD11 LEU A 65 -9.108 5.242 -0.153 1.00 60.41 H new ATOM 0 HD12 LEU A 65 -7.694 4.368 0.483 1.00 60.41 H new ATOM 0 HD13 LEU A 65 -7.570 6.102 0.100 1.00 60.41 H new ATOM 0 HD21 LEU A 65 -9.209 5.916 -2.563 1.00 1.40 H new ATOM 0 HD22 LEU A 65 -7.676 6.813 -2.459 1.00 1.40 H new ATOM 0 HD23 LEU A 65 -7.870 5.520 -3.666 1.00 1.40 H new ATOM 983 N CYS A 66 -6.247 1.551 0.143 1.00 10.31 N ATOM 984 CA CYS A 66 -6.989 0.274 0.135 1.00 73.05 C ATOM 985 C CYS A 66 -8.506 0.567 -0.031 1.00 23.02 C ATOM 986 O CYS A 66 -9.241 0.733 0.952 1.00 64.11 O ATOM 987 CB CYS A 66 -6.704 -0.517 1.432 1.00 63.14 C ATOM 988 SG CYS A 66 -7.341 -2.204 1.428 1.00 41.42 S ATOM 0 H CYS A 66 -5.986 1.868 1.077 1.00 10.31 H new ATOM 0 HA CYS A 66 -6.660 -0.341 -0.703 1.00 73.05 H new ATOM 0 HB2 CYS A 66 -5.627 -0.548 1.595 1.00 63.14 H new ATOM 0 HB3 CYS A 66 -7.139 0.021 2.275 1.00 63.14 H new ATOM 0 HG CYS A 66 -6.531 -2.972 0.761 1.00 41.42 H new ATOM 994 N ASP A 67 -8.947 0.638 -1.296 1.00 52.53 N ATOM 995 CA ASP A 67 -10.278 1.152 -1.687 1.00 64.11 C ATOM 996 C ASP A 67 -11.347 0.033 -1.792 1.00 42.44 C ATOM 997 O ASP A 67 -11.378 -0.721 -2.768 1.00 42.44 O ATOM 998 CB ASP A 67 -10.125 1.908 -3.031 1.00 4.22 C ATOM 999 CG ASP A 67 -11.452 2.432 -3.606 1.00 20.52 C ATOM 1000 OD1 ASP A 67 -12.067 3.330 -2.986 1.00 61.14 O ATOM 1001 OD2 ASP A 67 -11.877 1.965 -4.683 1.00 43.01 O ATOM 0 H ASP A 67 -8.384 0.337 -2.091 1.00 52.53 H new ATOM 0 HA ASP A 67 -10.637 1.826 -0.909 1.00 64.11 H new ATOM 0 HB2 ASP A 67 -9.445 2.748 -2.889 1.00 4.22 H new ATOM 0 HB3 ASP A 67 -9.662 1.243 -3.760 1.00 4.22 H new ATOM 1006 N ALA A 68 -12.208 -0.077 -0.768 1.00 23.53 N ATOM 1007 CA ALA A 68 -13.351 -1.026 -0.759 1.00 64.22 C ATOM 1008 C ALA A 68 -14.547 -0.450 -1.582 1.00 20.52 C ATOM 1009 O ALA A 68 -14.558 0.751 -1.885 1.00 25.41 O ATOM 1010 CB ALA A 68 -13.755 -1.325 0.705 1.00 4.04 C ATOM 0 H ALA A 68 -12.138 0.485 0.080 1.00 23.53 H new ATOM 0 HA ALA A 68 -13.055 -1.962 -1.233 1.00 64.22 H new ATOM 0 HB1 ALA A 68 -14.594 -2.021 0.716 1.00 4.04 H new ATOM 0 HB2 ALA A 68 -12.910 -1.767 1.233 1.00 4.04 H new ATOM 0 HB3 ALA A 68 -14.047 -0.398 1.199 1.00 4.04 H new ATOM 1016 N PRO A 69 -15.562 -1.293 -2.000 1.00 74.43 N ATOM 1017 CA PRO A 69 -16.809 -0.800 -2.694 1.00 34.33 C ATOM 1018 C PRO A 69 -17.797 0.021 -1.787 1.00 54.44 C ATOM 1019 O PRO A 69 -19.013 0.006 -2.021 1.00 43.23 O ATOM 1020 CB PRO A 69 -17.474 -2.124 -3.212 1.00 45.23 C ATOM 1021 CG PRO A 69 -16.391 -3.162 -3.137 1.00 12.12 C ATOM 1022 CD PRO A 69 -15.553 -2.781 -1.939 1.00 70.10 C ATOM 0 HA PRO A 69 -16.559 -0.083 -3.476 1.00 34.33 H new ATOM 0 HB2 PRO A 69 -18.330 -2.402 -2.597 1.00 45.23 H new ATOM 0 HB3 PRO A 69 -17.839 -2.009 -4.232 1.00 45.23 H new ATOM 0 HG2 PRO A 69 -16.811 -4.161 -3.021 1.00 12.12 H new ATOM 0 HG3 PRO A 69 -15.793 -3.172 -4.048 1.00 12.12 H new ATOM 0 HD2 PRO A 69 -15.983 -3.152 -1.009 1.00 70.10 H new ATOM 0 HD3 PRO A 69 -14.542 -3.184 -2.006 1.00 70.10 H new ATOM 1030 N GLN A 70 -17.258 0.765 -0.792 1.00 11.03 N ATOM 1031 CA GLN A 70 -18.036 1.635 0.124 1.00 33.24 C ATOM 1032 C GLN A 70 -17.055 2.462 0.991 1.00 60.00 C ATOM 1033 O GLN A 70 -17.013 3.691 0.909 1.00 15.44 O ATOM 1034 CB GLN A 70 -18.980 0.798 1.031 1.00 45.43 C ATOM 1035 CG GLN A 70 -19.863 1.629 1.976 1.00 73.30 C ATOM 1036 CD GLN A 70 -20.723 0.763 2.892 1.00 54.02 C ATOM 1037 OE1 GLN A 70 -21.845 0.402 2.557 1.00 42.23 O ATOM 1038 NE2 GLN A 70 -20.197 0.400 4.043 1.00 3.45 N ATOM 0 H GLN A 70 -16.256 0.778 -0.600 1.00 11.03 H new ATOM 0 HA GLN A 70 -18.658 2.303 -0.471 1.00 33.24 H new ATOM 0 HB2 GLN A 70 -19.623 0.187 0.398 1.00 45.43 H new ATOM 0 HB3 GLN A 70 -18.377 0.113 1.627 1.00 45.43 H new ATOM 0 HG2 GLN A 70 -19.230 2.276 2.583 1.00 73.30 H new ATOM 0 HG3 GLN A 70 -20.509 2.279 1.386 1.00 73.30 H new ATOM 0 HE21 GLN A 70 -19.261 0.715 4.298 1.00 3.45 H new ATOM 0 HE22 GLN A 70 -20.726 -0.196 4.680 1.00 3.45 H new ATOM 1047 N ASP A 71 -16.254 1.750 1.812 1.00 11.23 N ATOM 1048 CA ASP A 71 -15.188 2.353 2.648 1.00 33.22 C ATOM 1049 C ASP A 71 -13.844 2.408 1.880 1.00 54.24 C ATOM 1050 O ASP A 71 -13.745 1.929 0.749 1.00 4.15 O ATOM 1051 CB ASP A 71 -15.029 1.536 3.957 1.00 64.14 C ATOM 1052 CG ASP A 71 -16.314 1.524 4.799 1.00 2.31 C ATOM 1053 OD1 ASP A 71 -16.493 2.419 5.648 1.00 1.02 O ATOM 1054 OD2 ASP A 71 -17.162 0.626 4.598 1.00 13.41 O ATOM 0 H ASP A 71 -16.327 0.738 1.916 1.00 11.23 H new ATOM 0 HA ASP A 71 -15.474 3.376 2.894 1.00 33.22 H new ATOM 0 HB2 ASP A 71 -14.749 0.512 3.711 1.00 64.14 H new ATOM 0 HB3 ASP A 71 -14.215 1.956 4.548 1.00 64.14 H new ATOM 1059 N SER A 72 -12.816 3.006 2.510 1.00 30.33 N ATOM 1060 CA SER A 72 -11.444 3.074 1.951 1.00 42.43 C ATOM 1061 C SER A 72 -10.438 3.493 3.047 1.00 30.12 C ATOM 1062 O SER A 72 -10.707 4.412 3.823 1.00 45.23 O ATOM 1063 CB SER A 72 -11.375 4.068 0.764 1.00 71.32 C ATOM 1064 OG SER A 72 -11.715 5.385 1.164 1.00 42.25 O ATOM 0 H SER A 72 -12.908 3.457 3.420 1.00 30.33 H new ATOM 0 HA SER A 72 -11.181 2.082 1.584 1.00 42.43 H new ATOM 0 HB2 SER A 72 -10.370 4.063 0.343 1.00 71.32 H new ATOM 0 HB3 SER A 72 -12.052 3.741 -0.025 1.00 71.32 H new ATOM 0 HG SER A 72 -11.660 5.986 0.392 1.00 42.25 H new ATOM 1070 N ARG A 73 -9.281 2.802 3.126 1.00 40.43 N ATOM 1071 CA ARG A 73 -8.220 3.093 4.129 1.00 3.40 C ATOM 1072 C ARG A 73 -7.015 3.776 3.452 1.00 33.11 C ATOM 1073 O ARG A 73 -6.441 3.240 2.499 1.00 42.53 O ATOM 1074 CB ARG A 73 -7.788 1.776 4.867 1.00 22.15 C ATOM 1075 CG ARG A 73 -8.600 1.450 6.152 1.00 43.44 C ATOM 1076 CD ARG A 73 -10.123 1.390 5.934 1.00 1.13 C ATOM 1077 NE ARG A 73 -10.860 1.224 7.199 1.00 2.44 N ATOM 1078 CZ ARG A 73 -11.996 1.820 7.508 1.00 24.41 C ATOM 1079 NH1 ARG A 73 -12.547 2.689 6.712 1.00 1.33 N ATOM 1080 NH2 ARG A 73 -12.556 1.569 8.640 1.00 0.45 N ATOM 0 H ARG A 73 -9.051 2.029 2.502 1.00 40.43 H new ATOM 0 HA ARG A 73 -8.620 3.779 4.875 1.00 3.40 H new ATOM 0 HB2 ARG A 73 -7.882 0.940 4.173 1.00 22.15 H new ATOM 0 HB3 ARG A 73 -6.733 1.854 5.131 1.00 22.15 H new ATOM 0 HG2 ARG A 73 -8.262 0.493 6.549 1.00 43.44 H new ATOM 0 HG3 ARG A 73 -8.381 2.204 6.908 1.00 43.44 H new ATOM 0 HD2 ARG A 73 -10.454 2.303 5.440 1.00 1.13 H new ATOM 0 HD3 ARG A 73 -10.360 0.562 5.266 1.00 1.13 H new ATOM 0 HE ARG A 73 -10.458 0.595 7.895 1.00 2.44 H new ATOM 0 HH11 ARG A 73 -12.100 2.924 5.826 1.00 1.33 H new ATOM 0 HH12 ARG A 73 -13.426 3.136 6.974 1.00 1.33 H new ATOM 0 HH21 ARG A 73 -12.121 0.914 9.290 1.00 0.45 H new ATOM 0 HH22 ARG A 73 -13.434 2.025 8.887 1.00 0.45 H new ATOM 1094 N ILE A 74 -6.636 4.965 3.966 1.00 52.22 N ATOM 1095 CA ILE A 74 -5.563 5.794 3.382 1.00 11.24 C ATOM 1096 C ILE A 74 -4.264 5.646 4.214 1.00 24.31 C ATOM 1097 O ILE A 74 -4.260 5.887 5.428 1.00 64.44 O ATOM 1098 CB ILE A 74 -5.942 7.333 3.274 1.00 24.20 C ATOM 1099 CG1 ILE A 74 -7.311 7.583 2.527 1.00 1.44 C ATOM 1100 CG2 ILE A 74 -4.795 8.121 2.573 1.00 2.44 C ATOM 1101 CD1 ILE A 74 -8.577 7.279 3.325 1.00 14.52 C ATOM 0 H ILE A 74 -7.065 5.376 4.795 1.00 52.22 H new ATOM 0 HA ILE A 74 -5.414 5.428 2.366 1.00 11.24 H new ATOM 0 HB ILE A 74 -6.071 7.696 4.294 1.00 24.20 H new ATOM 0 HG12 ILE A 74 -7.345 8.626 2.214 1.00 1.44 H new ATOM 0 HG13 ILE A 74 -7.323 6.977 1.621 1.00 1.44 H new ATOM 0 HG21 ILE A 74 -5.066 9.175 2.505 1.00 2.44 H new ATOM 0 HG22 ILE A 74 -3.877 8.019 3.152 1.00 2.44 H new ATOM 0 HG23 ILE A 74 -4.638 7.721 1.571 1.00 2.44 H new ATOM 0 HD11 ILE A 74 -9.453 7.488 2.711 1.00 14.52 H new ATOM 0 HD12 ILE A 74 -8.580 6.229 3.616 1.00 14.52 H new ATOM 0 HD13 ILE A 74 -8.603 7.903 4.218 1.00 14.52 H new ATOM 1113 N PHE A 75 -3.177 5.259 3.536 1.00 21.10 N ATOM 1114 CA PHE A 75 -1.837 5.126 4.124 1.00 1.43 C ATOM 1115 C PHE A 75 -0.956 6.334 3.777 1.00 71.30 C ATOM 1116 O PHE A 75 -0.800 6.680 2.603 1.00 32.02 O ATOM 1117 CB PHE A 75 -1.144 3.845 3.599 1.00 64.40 C ATOM 1118 CG PHE A 75 -1.697 2.529 4.127 1.00 42.20 C ATOM 1119 CD1 PHE A 75 -2.859 1.959 3.602 1.00 2.33 C ATOM 1120 CD2 PHE A 75 -1.025 1.847 5.137 1.00 14.02 C ATOM 1121 CE1 PHE A 75 -3.325 0.749 4.079 1.00 71.23 C ATOM 1122 CE2 PHE A 75 -1.489 0.640 5.603 1.00 14.40 C ATOM 1123 CZ PHE A 75 -2.628 0.092 5.075 1.00 44.53 C ATOM 0 H PHE A 75 -3.204 5.025 2.544 1.00 21.10 H new ATOM 0 HA PHE A 75 -1.960 5.070 5.206 1.00 1.43 H new ATOM 0 HB2 PHE A 75 -1.214 3.836 2.511 1.00 64.40 H new ATOM 0 HB3 PHE A 75 -0.085 3.899 3.850 1.00 64.40 H new ATOM 0 HD1 PHE A 75 -3.398 2.468 2.817 1.00 2.33 H new ATOM 0 HD2 PHE A 75 -0.127 2.272 5.560 1.00 14.02 H new ATOM 0 HE1 PHE A 75 -4.230 0.319 3.675 1.00 71.23 H new ATOM 0 HE2 PHE A 75 -0.955 0.123 6.386 1.00 14.40 H new ATOM 0 HZ PHE A 75 -2.984 -0.860 5.440 1.00 44.53 H new ATOM 1133 N LEU A 76 -0.381 6.969 4.806 1.00 2.41 N ATOM 1134 CA LEU A 76 0.776 7.853 4.633 1.00 15.44 C ATOM 1135 C LEU A 76 2.041 7.018 4.865 1.00 52.41 C ATOM 1136 O LEU A 76 2.457 6.800 6.010 1.00 41.14 O ATOM 1137 CB LEU A 76 0.708 9.062 5.603 1.00 21.32 C ATOM 1138 CG LEU A 76 -0.459 10.060 5.344 1.00 74.35 C ATOM 1139 CD1 LEU A 76 -0.481 11.188 6.395 1.00 72.12 C ATOM 1140 CD2 LEU A 76 -0.410 10.629 3.903 1.00 21.11 C ATOM 0 H LEU A 76 -0.701 6.886 5.771 1.00 2.41 H new ATOM 0 HA LEU A 76 0.785 8.268 3.625 1.00 15.44 H new ATOM 0 HB2 LEU A 76 0.622 8.684 6.622 1.00 21.32 H new ATOM 0 HB3 LEU A 76 1.650 9.607 5.544 1.00 21.32 H new ATOM 0 HG LEU A 76 -1.391 9.504 5.443 1.00 74.35 H new ATOM 0 HD11 LEU A 76 -1.308 11.866 6.184 1.00 72.12 H new ATOM 0 HD12 LEU A 76 -0.609 10.758 7.388 1.00 72.12 H new ATOM 0 HD13 LEU A 76 0.459 11.739 6.357 1.00 72.12 H new ATOM 0 HD21 LEU A 76 -1.239 11.322 3.757 1.00 21.11 H new ATOM 0 HD22 LEU A 76 0.533 11.154 3.751 1.00 21.11 H new ATOM 0 HD23 LEU A 76 -0.490 9.812 3.186 1.00 21.11 H new ATOM 1152 N VAL A 77 2.600 6.481 3.771 1.00 63.14 N ATOM 1153 CA VAL A 77 3.844 5.700 3.820 1.00 3.13 C ATOM 1154 C VAL A 77 5.044 6.654 3.752 1.00 24.42 C ATOM 1155 O VAL A 77 5.322 7.255 2.708 1.00 2.43 O ATOM 1156 CB VAL A 77 3.909 4.618 2.682 1.00 61.54 C ATOM 1157 CG1 VAL A 77 5.311 3.944 2.600 1.00 63.34 C ATOM 1158 CG2 VAL A 77 2.790 3.560 2.889 1.00 62.34 C ATOM 0 H VAL A 77 2.206 6.575 2.835 1.00 63.14 H new ATOM 0 HA VAL A 77 3.871 5.154 4.763 1.00 3.13 H new ATOM 0 HB VAL A 77 3.745 5.121 1.729 1.00 61.54 H new ATOM 0 HG11 VAL A 77 5.312 3.203 1.801 1.00 63.34 H new ATOM 0 HG12 VAL A 77 6.067 4.701 2.394 1.00 63.34 H new ATOM 0 HG13 VAL A 77 5.536 3.455 3.548 1.00 63.34 H new ATOM 0 HG21 VAL A 77 2.843 2.814 2.096 1.00 62.34 H new ATOM 0 HG22 VAL A 77 2.924 3.073 3.855 1.00 62.34 H new ATOM 0 HG23 VAL A 77 1.817 4.050 2.862 1.00 62.34 H new ATOM 1168 N SER A 78 5.707 6.824 4.898 1.00 63.42 N ATOM 1169 CA SER A 78 6.882 7.697 5.029 1.00 35.31 C ATOM 1170 C SER A 78 8.163 6.851 5.078 1.00 61.03 C ATOM 1171 O SER A 78 8.339 6.031 5.987 1.00 41.21 O ATOM 1172 CB SER A 78 6.752 8.576 6.298 1.00 63.31 C ATOM 1173 OG SER A 78 6.671 7.788 7.479 1.00 20.34 O ATOM 0 H SER A 78 5.445 6.359 5.767 1.00 63.42 H new ATOM 0 HA SER A 78 6.938 8.354 4.161 1.00 35.31 H new ATOM 0 HB2 SER A 78 7.609 9.246 6.366 1.00 63.31 H new ATOM 0 HB3 SER A 78 5.864 9.202 6.217 1.00 63.31 H new ATOM 0 HG SER A 78 7.316 8.119 8.138 1.00 20.34 H new ATOM 1179 N VAL A 79 9.052 7.024 4.084 1.00 3.30 N ATOM 1180 CA VAL A 79 10.348 6.329 4.071 1.00 62.25 C ATOM 1181 C VAL A 79 11.359 7.131 4.925 1.00 5.25 C ATOM 1182 O VAL A 79 11.826 8.206 4.525 1.00 33.33 O ATOM 1183 CB VAL A 79 10.890 6.108 2.610 1.00 63.52 C ATOM 1184 CG1 VAL A 79 12.257 5.375 2.630 1.00 14.24 C ATOM 1185 CG2 VAL A 79 9.856 5.339 1.739 1.00 63.10 C ATOM 0 H VAL A 79 8.896 7.637 3.283 1.00 3.30 H new ATOM 0 HA VAL A 79 10.212 5.336 4.500 1.00 62.25 H new ATOM 0 HB VAL A 79 11.042 7.088 2.158 1.00 63.52 H new ATOM 0 HG11 VAL A 79 12.610 5.235 1.608 1.00 14.24 H new ATOM 0 HG12 VAL A 79 12.981 5.971 3.185 1.00 14.24 H new ATOM 0 HG13 VAL A 79 12.142 4.404 3.111 1.00 14.24 H new ATOM 0 HG21 VAL A 79 10.257 5.201 0.735 1.00 63.10 H new ATOM 0 HG22 VAL A 79 9.655 4.366 2.187 1.00 63.10 H new ATOM 0 HG23 VAL A 79 8.930 5.911 1.684 1.00 63.10 H new ATOM 1195 N GLU A 80 11.666 6.592 6.111 1.00 3.12 N ATOM 1196 CA GLU A 80 12.510 7.244 7.126 1.00 31.42 C ATOM 1197 C GLU A 80 13.256 6.178 7.967 1.00 61.13 C ATOM 1198 O GLU A 80 13.286 5.000 7.592 1.00 70.40 O ATOM 1199 CB GLU A 80 11.624 8.153 8.034 1.00 2.12 C ATOM 1200 CG GLU A 80 10.482 7.414 8.767 1.00 74.34 C ATOM 1201 CD GLU A 80 9.667 8.334 9.691 1.00 11.44 C ATOM 1202 OE1 GLU A 80 8.779 9.057 9.192 1.00 15.34 O ATOM 1203 OE2 GLU A 80 9.919 8.358 10.917 1.00 33.42 O ATOM 0 H GLU A 80 11.330 5.673 6.400 1.00 3.12 H new ATOM 0 HA GLU A 80 13.257 7.866 6.633 1.00 31.42 H new ATOM 0 HB2 GLU A 80 12.262 8.635 8.775 1.00 2.12 H new ATOM 0 HB3 GLU A 80 11.192 8.945 7.422 1.00 2.12 H new ATOM 0 HG2 GLU A 80 9.816 6.965 8.030 1.00 74.34 H new ATOM 0 HG3 GLU A 80 10.903 6.598 9.355 1.00 74.34 H new ATOM 1210 N GLU A 81 13.851 6.612 9.105 1.00 43.24 N ATOM 1211 CA GLU A 81 14.647 5.746 10.015 1.00 61.12 C ATOM 1212 C GLU A 81 15.855 5.065 9.277 1.00 43.23 C ATOM 1213 O GLU A 81 16.004 3.838 9.329 1.00 2.14 O ATOM 1214 CB GLU A 81 13.720 4.694 10.707 1.00 45.33 C ATOM 1215 CG GLU A 81 12.534 5.300 11.487 1.00 73.11 C ATOM 1216 CD GLU A 81 11.603 4.240 12.103 1.00 40.10 C ATOM 1217 OE1 GLU A 81 10.730 3.706 11.383 1.00 73.54 O ATOM 1218 OE2 GLU A 81 11.741 3.933 13.313 1.00 63.43 O ATOM 0 H GLU A 81 13.793 7.580 9.421 1.00 43.24 H new ATOM 0 HA GLU A 81 15.081 6.380 10.788 1.00 61.12 H new ATOM 0 HB2 GLU A 81 13.330 4.016 9.947 1.00 45.33 H new ATOM 0 HB3 GLU A 81 14.320 4.094 11.391 1.00 45.33 H new ATOM 0 HG2 GLU A 81 12.920 5.940 12.281 1.00 73.11 H new ATOM 0 HG3 GLU A 81 11.955 5.936 10.817 1.00 73.11 H new ATOM 1225 N PRO A 82 16.753 5.866 8.592 1.00 71.43 N ATOM 1226 CA PRO A 82 17.864 5.319 7.764 1.00 11.54 C ATOM 1227 C PRO A 82 19.037 4.742 8.638 1.00 33.44 C ATOM 1228 O PRO A 82 19.228 3.506 8.668 1.00 38.08 O ATOM 1229 CB PRO A 82 18.322 6.549 6.903 1.00 63.52 C ATOM 1230 CG PRO A 82 17.334 7.648 7.208 1.00 34.42 C ATOM 1231 CD PRO A 82 16.800 7.351 8.588 1.00 43.52 C ATOM 1232 OXT PRO A 82 19.738 5.535 9.305 1.00 38.08 O ATOM 0 HA PRO A 82 17.548 4.472 7.155 1.00 11.54 H new ATOM 0 HB2 PRO A 82 19.337 6.852 7.161 1.00 63.52 H new ATOM 0 HB3 PRO A 82 18.322 6.306 5.841 1.00 63.52 H new ATOM 0 HG2 PRO A 82 17.815 8.626 7.177 1.00 34.42 H new ATOM 0 HG3 PRO A 82 16.529 7.665 6.473 1.00 34.42 H new ATOM 0 HD2 PRO A 82 17.452 7.740 9.370 1.00 43.52 H new ATOM 0 HD3 PRO A 82 15.815 7.790 8.747 1.00 43.52 H new TER 1240 PRO A 82