USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 603 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 6 SER OG : rot 5:sc= 1.68 USER MOD Set 1.2: A 46 LYS NZ :NH3+ -115:sc= 0.636 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0511) USER MOD Single : A 10 THR OG1 : rot 98:sc= 0.336 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 150:sc= -2.35! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00781 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00484 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -47:sc= 0.62 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= 0.0964 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.732 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -165:sc= 0 (180deg=-0.383) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -0.0129 (180deg=-0.142) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 MET CE :methyl 142:sc= -0.118 (180deg=-1.11) USER MOD Single : A 75 GLN : amide:sc= 1.44 K(o=1.4,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -7.735 -19.448 -1.492 1.00 3.13 N ATOM 2 CA GLY A 2 -8.110 -18.354 -0.662 1.00 1.20 C ATOM 3 C GLY A 2 -9.529 -17.957 -0.909 1.00 33.51 C ATOM 4 O GLY A 2 -10.133 -18.383 -1.897 1.00 74.10 O ATOM 0 HA2 GLY A 2 -7.982 -18.627 0.385 1.00 1.20 H new ATOM 0 HA3 GLY A 2 -7.453 -17.506 -0.853 1.00 1.20 H new ATOM 8 N SER A 3 -10.058 -17.168 -0.033 1.00 70.05 N ATOM 9 CA SER A 3 -11.401 -16.689 -0.141 1.00 12.13 C ATOM 10 C SER A 3 -11.347 -15.197 -0.410 1.00 14.52 C ATOM 11 O SER A 3 -10.311 -14.557 -0.145 1.00 12.42 O ATOM 12 CB SER A 3 -12.135 -16.974 1.163 1.00 0.20 C ATOM 13 OG SER A 3 -12.072 -18.365 1.479 1.00 0.42 O ATOM 0 H SER A 3 -9.563 -16.831 0.793 1.00 70.05 H new ATOM 0 HA SER A 3 -11.932 -17.186 -0.953 1.00 12.13 H new ATOM 0 HB2 SER A 3 -11.693 -16.391 1.971 1.00 0.20 H new ATOM 0 HB3 SER A 3 -13.176 -16.661 1.077 1.00 0.20 H new ATOM 0 HG SER A 3 -12.547 -18.531 2.320 1.00 0.42 H new ATOM 19 N GLU A 4 -12.419 -14.627 -0.922 1.00 73.10 N ATOM 20 CA GLU A 4 -12.430 -13.213 -1.219 1.00 22.21 C ATOM 21 C GLU A 4 -12.647 -12.386 0.037 1.00 41.24 C ATOM 22 O GLU A 4 -13.767 -11.963 0.353 1.00 24.02 O ATOM 23 CB GLU A 4 -13.424 -12.819 -2.334 1.00 53.11 C ATOM 24 CG GLU A 4 -13.093 -13.338 -3.744 1.00 24.14 C ATOM 25 CD GLU A 4 -13.159 -14.843 -3.899 1.00 51.42 C ATOM 26 OE1 GLU A 4 -14.274 -15.383 -4.102 1.00 31.40 O ATOM 27 OE2 GLU A 4 -12.108 -15.507 -3.841 1.00 64.52 O ATOM 0 H GLU A 4 -13.286 -15.118 -1.139 1.00 73.10 H new ATOM 0 HA GLU A 4 -11.440 -12.985 -1.614 1.00 22.21 H new ATOM 0 HB2 GLU A 4 -14.413 -13.183 -2.057 1.00 53.11 H new ATOM 0 HB3 GLU A 4 -13.484 -11.731 -2.373 1.00 53.11 H new ATOM 0 HG2 GLU A 4 -13.783 -12.883 -4.455 1.00 24.14 H new ATOM 0 HG3 GLU A 4 -12.091 -13.003 -4.013 1.00 24.14 H new ATOM 34 N VAL A 5 -11.584 -12.220 0.780 1.00 31.43 N ATOM 35 CA VAL A 5 -11.598 -11.443 1.984 1.00 32.04 C ATOM 36 C VAL A 5 -11.530 -9.979 1.615 1.00 3.22 C ATOM 37 O VAL A 5 -10.661 -9.570 0.836 1.00 15.21 O ATOM 38 CB VAL A 5 -10.405 -11.814 2.914 1.00 51.44 C ATOM 39 CG1 VAL A 5 -10.427 -10.996 4.200 1.00 65.15 C ATOM 40 CG2 VAL A 5 -10.418 -13.302 3.235 1.00 42.21 C ATOM 0 H VAL A 5 -10.675 -12.627 0.560 1.00 31.43 H new ATOM 0 HA VAL A 5 -12.518 -11.654 2.530 1.00 32.04 H new ATOM 0 HB VAL A 5 -9.484 -11.578 2.380 1.00 51.44 H new ATOM 0 HG11 VAL A 5 -9.581 -11.280 4.826 1.00 65.15 H new ATOM 0 HG12 VAL A 5 -10.360 -9.935 3.958 1.00 65.15 H new ATOM 0 HG13 VAL A 5 -11.356 -11.187 4.737 1.00 65.15 H new ATOM 0 HG21 VAL A 5 -9.577 -13.541 3.886 1.00 42.21 H new ATOM 0 HG22 VAL A 5 -11.350 -13.557 3.738 1.00 42.21 H new ATOM 0 HG23 VAL A 5 -10.336 -13.874 2.311 1.00 42.21 H new ATOM 50 N SER A 6 -12.464 -9.213 2.144 1.00 4.24 N ATOM 51 CA SER A 6 -12.606 -7.776 1.915 1.00 22.44 C ATOM 52 C SER A 6 -12.843 -7.420 0.431 1.00 72.32 C ATOM 53 O SER A 6 -12.994 -8.307 -0.442 1.00 35.31 O ATOM 54 CB SER A 6 -11.446 -6.950 2.553 1.00 21.12 C ATOM 55 OG SER A 6 -10.158 -7.299 2.043 1.00 12.14 O ATOM 0 H SER A 6 -13.177 -9.584 2.772 1.00 4.24 H new ATOM 0 HA SER A 6 -13.515 -7.481 2.438 1.00 22.44 H new ATOM 0 HB2 SER A 6 -11.624 -5.889 2.376 1.00 21.12 H new ATOM 0 HB3 SER A 6 -11.454 -7.099 3.633 1.00 21.12 H new ATOM 0 HG SER A 6 -10.259 -7.948 1.316 1.00 12.14 H new ATOM 61 N ASP A 7 -12.905 -6.149 0.163 1.00 23.40 N ATOM 62 CA ASP A 7 -13.145 -5.632 -1.164 1.00 4.15 C ATOM 63 C ASP A 7 -12.321 -4.348 -1.232 1.00 61.25 C ATOM 64 O ASP A 7 -11.347 -4.220 -0.488 1.00 11.21 O ATOM 65 CB ASP A 7 -14.660 -5.331 -1.299 1.00 24.34 C ATOM 66 CG ASP A 7 -15.122 -5.124 -2.728 1.00 71.05 C ATOM 67 OD1 ASP A 7 -14.961 -4.019 -3.271 1.00 34.32 O ATOM 68 OD2 ASP A 7 -15.666 -6.075 -3.327 1.00 74.23 O ATOM 0 H ASP A 7 -12.789 -5.423 0.870 1.00 23.40 H new ATOM 0 HA ASP A 7 -12.869 -6.320 -1.964 1.00 4.15 H new ATOM 0 HB2 ASP A 7 -15.224 -6.155 -0.861 1.00 24.34 H new ATOM 0 HB3 ASP A 7 -14.896 -4.439 -0.719 1.00 24.34 H new ATOM 73 N LYS A 8 -12.650 -3.418 -2.083 1.00 70.54 N ATOM 74 CA LYS A 8 -11.943 -2.161 -2.063 1.00 20.33 C ATOM 75 C LYS A 8 -12.613 -1.208 -1.120 1.00 42.14 C ATOM 76 O LYS A 8 -13.770 -1.402 -0.758 1.00 21.53 O ATOM 77 CB LYS A 8 -11.819 -1.496 -3.423 1.00 75.11 C ATOM 78 CG LYS A 8 -10.979 -2.236 -4.433 1.00 45.35 C ATOM 79 CD LYS A 8 -10.740 -1.366 -5.659 1.00 51.31 C ATOM 80 CE LYS A 8 -12.040 -0.969 -6.373 1.00 33.33 C ATOM 81 NZ LYS A 8 -12.802 -2.140 -6.852 1.00 3.01 N ATOM 0 H LYS A 8 -13.385 -3.498 -2.786 1.00 70.54 H new ATOM 0 HA LYS A 8 -10.932 -2.400 -1.732 1.00 20.33 H new ATOM 0 HB2 LYS A 8 -12.819 -1.363 -3.836 1.00 75.11 H new ATOM 0 HB3 LYS A 8 -11.397 -0.501 -3.284 1.00 75.11 H new ATOM 0 HG2 LYS A 8 -10.025 -2.518 -3.987 1.00 45.35 H new ATOM 0 HG3 LYS A 8 -11.479 -3.159 -4.726 1.00 45.35 H new ATOM 0 HD2 LYS A 8 -10.206 -0.464 -5.360 1.00 51.31 H new ATOM 0 HD3 LYS A 8 -10.096 -1.901 -6.358 1.00 51.31 H new ATOM 0 HE2 LYS A 8 -12.662 -0.388 -5.692 1.00 33.33 H new ATOM 0 HE3 LYS A 8 -11.804 -0.323 -7.218 1.00 33.33 H new ATOM 0 HZ1 LYS A 8 -13.626 -1.818 -7.399 1.00 3.01 H new ATOM 0 HZ2 LYS A 8 -12.193 -2.727 -7.456 1.00 3.01 H new ATOM 0 HZ3 LYS A 8 -13.125 -2.701 -6.038 1.00 3.01 H new ATOM 95 N ARG A 9 -11.878 -0.178 -0.735 1.00 10.12 N ATOM 96 CA ARG A 9 -12.366 0.877 0.173 1.00 1.32 C ATOM 97 C ARG A 9 -12.720 0.325 1.575 1.00 64.15 C ATOM 98 O ARG A 9 -13.460 0.954 2.319 1.00 31.44 O ATOM 99 CB ARG A 9 -13.581 1.605 -0.449 1.00 41.33 C ATOM 100 CG ARG A 9 -13.287 2.327 -1.760 1.00 13.25 C ATOM 101 CD ARG A 9 -14.544 2.968 -2.328 1.00 1.32 C ATOM 102 NE ARG A 9 -14.290 3.668 -3.597 1.00 54.42 N ATOM 103 CZ ARG A 9 -15.248 4.105 -4.433 1.00 54.33 C ATOM 104 NH1 ARG A 9 -16.536 3.862 -4.171 1.00 71.44 N ATOM 105 NH2 ARG A 9 -14.911 4.775 -5.534 1.00 21.13 N ATOM 0 H ARG A 9 -10.915 -0.038 -1.040 1.00 10.12 H new ATOM 0 HA ARG A 9 -11.554 1.592 0.306 1.00 1.32 H new ATOM 0 HB2 ARG A 9 -14.375 0.878 -0.620 1.00 41.33 H new ATOM 0 HB3 ARG A 9 -13.962 2.329 0.271 1.00 41.33 H new ATOM 0 HG2 ARG A 9 -12.528 3.092 -1.595 1.00 13.25 H new ATOM 0 HG3 ARG A 9 -12.877 1.622 -2.483 1.00 13.25 H new ATOM 0 HD2 ARG A 9 -15.302 2.200 -2.485 1.00 1.32 H new ATOM 0 HD3 ARG A 9 -14.950 3.673 -1.602 1.00 1.32 H new ATOM 0 HE ARG A 9 -13.319 3.833 -3.861 1.00 54.42 H new ATOM 0 HH11 ARG A 9 -16.797 3.342 -3.333 1.00 71.44 H new ATOM 0 HH12 ARG A 9 -17.258 4.196 -4.809 1.00 71.44 H new ATOM 0 HH21 ARG A 9 -13.929 4.955 -5.741 1.00 21.13 H new ATOM 0 HH22 ARG A 9 -15.635 5.108 -6.170 1.00 21.13 H new ATOM 119 N THR A 10 -12.138 -0.814 1.943 1.00 52.55 N ATOM 120 CA THR A 10 -12.425 -1.444 3.235 1.00 73.25 C ATOM 121 C THR A 10 -11.807 -0.641 4.408 1.00 32.52 C ATOM 122 O THR A 10 -12.295 -0.689 5.533 1.00 4.25 O ATOM 123 CB THR A 10 -11.889 -2.905 3.257 1.00 21.21 C ATOM 124 OG1 THR A 10 -12.419 -3.622 2.132 1.00 21.12 O ATOM 125 CG2 THR A 10 -12.305 -3.633 4.534 1.00 51.44 C ATOM 0 H THR A 10 -11.465 -1.321 1.368 1.00 52.55 H new ATOM 0 HA THR A 10 -13.507 -1.455 3.362 1.00 73.25 H new ATOM 0 HB THR A 10 -10.801 -2.864 3.215 1.00 21.21 H new ATOM 0 HG1 THR A 10 -11.757 -3.633 1.410 1.00 21.12 H new ATOM 0 HG21 THR A 10 -11.914 -4.650 4.517 1.00 51.44 H new ATOM 0 HG22 THR A 10 -11.905 -3.106 5.400 1.00 51.44 H new ATOM 0 HG23 THR A 10 -13.393 -3.663 4.598 1.00 51.44 H new ATOM 133 N CYS A 11 -10.765 0.102 4.137 1.00 21.23 N ATOM 134 CA CYS A 11 -10.105 0.852 5.178 1.00 43.45 C ATOM 135 C CYS A 11 -10.281 2.344 4.941 1.00 61.25 C ATOM 136 O CYS A 11 -10.284 2.802 3.793 1.00 31.55 O ATOM 137 CB CYS A 11 -8.622 0.478 5.217 1.00 73.22 C ATOM 138 SG CYS A 11 -7.639 1.317 6.495 1.00 55.11 S ATOM 0 H CYS A 11 -10.355 0.205 3.209 1.00 21.23 H new ATOM 0 HA CYS A 11 -10.553 0.607 6.141 1.00 43.45 H new ATOM 0 HB2 CYS A 11 -8.540 -0.598 5.368 1.00 73.22 H new ATOM 0 HB3 CYS A 11 -8.184 0.697 4.243 1.00 73.22 H new ATOM 143 N VAL A 12 -10.441 3.086 6.017 1.00 62.34 N ATOM 144 CA VAL A 12 -10.620 4.533 5.963 1.00 54.34 C ATOM 145 C VAL A 12 -9.560 5.249 6.769 1.00 44.42 C ATOM 146 O VAL A 12 -9.429 6.467 6.705 1.00 40.42 O ATOM 147 CB VAL A 12 -12.003 4.968 6.503 1.00 71.43 C ATOM 148 CG1 VAL A 12 -13.114 4.463 5.611 1.00 41.44 C ATOM 149 CG2 VAL A 12 -12.222 4.478 7.936 1.00 0.12 C ATOM 0 H VAL A 12 -10.451 2.705 6.963 1.00 62.34 H new ATOM 0 HA VAL A 12 -10.540 4.804 4.910 1.00 54.34 H new ATOM 0 HB VAL A 12 -12.021 6.058 6.506 1.00 71.43 H new ATOM 0 HG11 VAL A 12 -14.076 4.782 6.012 1.00 41.44 H new ATOM 0 HG12 VAL A 12 -12.987 4.868 4.607 1.00 41.44 H new ATOM 0 HG13 VAL A 12 -13.081 3.374 5.570 1.00 41.44 H new ATOM 0 HG21 VAL A 12 -13.203 4.801 8.285 1.00 0.12 H new ATOM 0 HG22 VAL A 12 -12.168 3.390 7.961 1.00 0.12 H new ATOM 0 HG23 VAL A 12 -11.451 4.894 8.585 1.00 0.12 H new ATOM 159 N SER A 13 -8.822 4.510 7.522 1.00 42.21 N ATOM 160 CA SER A 13 -7.842 5.080 8.379 1.00 51.33 C ATOM 161 C SER A 13 -6.537 5.335 7.630 1.00 61.22 C ATOM 162 O SER A 13 -6.308 4.798 6.550 1.00 24.35 O ATOM 163 CB SER A 13 -7.624 4.158 9.545 1.00 12.13 C ATOM 164 OG SER A 13 -8.842 3.935 10.244 1.00 55.13 O ATOM 0 H SER A 13 -8.881 3.492 7.561 1.00 42.21 H new ATOM 0 HA SER A 13 -8.196 6.045 8.741 1.00 51.33 H new ATOM 0 HB2 SER A 13 -7.221 3.208 9.193 1.00 12.13 H new ATOM 0 HB3 SER A 13 -6.884 4.587 10.221 1.00 12.13 H new ATOM 0 HG SER A 13 -8.680 3.331 10.999 1.00 55.13 H new ATOM 170 N LEU A 14 -5.704 6.160 8.206 1.00 53.44 N ATOM 171 CA LEU A 14 -4.424 6.504 7.638 1.00 14.24 C ATOM 172 C LEU A 14 -3.396 6.327 8.732 1.00 23.31 C ATOM 173 O LEU A 14 -3.764 6.261 9.905 1.00 1.41 O ATOM 174 CB LEU A 14 -4.445 7.961 7.151 1.00 63.30 C ATOM 175 CG LEU A 14 -5.534 8.309 6.119 1.00 61.32 C ATOM 176 CD1 LEU A 14 -5.537 9.790 5.798 1.00 72.25 C ATOM 177 CD2 LEU A 14 -5.367 7.491 4.849 1.00 21.42 C ATOM 0 H LEU A 14 -5.897 6.620 9.096 1.00 53.44 H new ATOM 0 HA LEU A 14 -4.188 5.871 6.783 1.00 14.24 H new ATOM 0 HB2 LEU A 14 -4.571 8.611 8.017 1.00 63.30 H new ATOM 0 HB3 LEU A 14 -3.473 8.193 6.717 1.00 63.30 H new ATOM 0 HG LEU A 14 -6.496 8.057 6.565 1.00 61.32 H new ATOM 0 HD11 LEU A 14 -6.317 10.002 5.067 1.00 72.25 H new ATOM 0 HD12 LEU A 14 -5.728 10.359 6.708 1.00 72.25 H new ATOM 0 HD13 LEU A 14 -4.568 10.075 5.388 1.00 72.25 H new ATOM 0 HD21 LEU A 14 -6.150 7.758 4.139 1.00 21.42 H new ATOM 0 HD22 LEU A 14 -4.392 7.698 4.409 1.00 21.42 H new ATOM 0 HD23 LEU A 14 -5.440 6.430 5.087 1.00 21.42 H new ATOM 189 N THR A 15 -2.146 6.233 8.393 1.00 62.24 N ATOM 190 CA THR A 15 -1.151 6.018 9.401 1.00 71.30 C ATOM 191 C THR A 15 0.039 6.944 9.154 1.00 33.33 C ATOM 192 O THR A 15 0.310 7.342 8.008 1.00 34.05 O ATOM 193 CB THR A 15 -0.698 4.512 9.434 1.00 30.55 C ATOM 194 OG1 THR A 15 -0.064 4.204 10.680 1.00 34.14 O ATOM 195 CG2 THR A 15 0.292 4.194 8.309 1.00 50.01 C ATOM 0 H THR A 15 -1.793 6.301 7.439 1.00 62.24 H new ATOM 0 HA THR A 15 -1.581 6.250 10.375 1.00 71.30 H new ATOM 0 HB THR A 15 -1.598 3.911 9.305 1.00 30.55 H new ATOM 0 HG1 THR A 15 -0.217 3.261 10.900 1.00 34.14 H new ATOM 0 HG21 THR A 15 0.582 3.145 8.365 1.00 50.01 H new ATOM 0 HG22 THR A 15 -0.177 4.390 7.345 1.00 50.01 H new ATOM 0 HG23 THR A 15 1.177 4.821 8.415 1.00 50.01 H new ATOM 203 N THR A 16 0.703 7.312 10.213 1.00 1.40 N ATOM 204 CA THR A 16 1.862 8.151 10.140 1.00 10.32 C ATOM 205 C THR A 16 3.136 7.331 10.273 1.00 52.34 C ATOM 206 O THR A 16 4.235 7.823 9.988 1.00 12.44 O ATOM 207 CB THR A 16 1.809 9.226 11.229 1.00 51.34 C ATOM 208 OG1 THR A 16 1.534 8.602 12.504 1.00 52.31 O ATOM 209 CG2 THR A 16 0.737 10.249 10.916 1.00 50.04 C ATOM 0 H THR A 16 0.451 7.034 11.161 1.00 1.40 H new ATOM 0 HA THR A 16 1.869 8.636 9.164 1.00 10.32 H new ATOM 0 HB THR A 16 2.771 9.737 11.269 1.00 51.34 H new ATOM 0 HG1 THR A 16 1.501 9.288 13.203 1.00 52.31 H new ATOM 0 HG21 THR A 16 0.715 11.005 11.701 1.00 50.04 H new ATOM 0 HG22 THR A 16 0.956 10.725 9.960 1.00 50.04 H new ATOM 0 HG23 THR A 16 -0.233 9.754 10.861 1.00 50.04 H new ATOM 217 N GLN A 17 2.997 6.083 10.716 1.00 55.25 N ATOM 218 CA GLN A 17 4.142 5.218 10.849 1.00 51.33 C ATOM 219 C GLN A 17 4.637 4.837 9.476 1.00 4.51 C ATOM 220 O GLN A 17 3.870 4.408 8.621 1.00 20.30 O ATOM 221 CB GLN A 17 3.850 3.988 11.727 1.00 20.15 C ATOM 222 CG GLN A 17 2.773 3.051 11.200 1.00 65.24 C ATOM 223 CD GLN A 17 2.467 1.920 12.154 1.00 10.12 C ATOM 224 OE1 GLN A 17 3.092 0.859 12.106 1.00 22.33 O ATOM 225 NE2 GLN A 17 1.498 2.119 13.013 1.00 41.11 N ATOM 0 H GLN A 17 2.108 5.662 10.984 1.00 55.25 H new ATOM 0 HA GLN A 17 4.931 5.761 11.369 1.00 51.33 H new ATOM 0 HB2 GLN A 17 4.773 3.421 11.848 1.00 20.15 H new ATOM 0 HB3 GLN A 17 3.555 4.332 12.718 1.00 20.15 H new ATOM 0 HG2 GLN A 17 1.862 3.620 11.013 1.00 65.24 H new ATOM 0 HG3 GLN A 17 3.093 2.638 10.243 1.00 65.24 H new ATOM 0 HE21 GLN A 17 1.002 3.010 13.025 1.00 41.11 H new ATOM 0 HE22 GLN A 17 1.240 1.383 13.670 1.00 41.11 H new ATOM 234 N ARG A 18 5.897 5.020 9.259 1.00 14.41 N ATOM 235 CA ARG A 18 6.455 4.818 7.963 1.00 60.13 C ATOM 236 C ARG A 18 7.091 3.457 7.836 1.00 5.53 C ATOM 237 O ARG A 18 7.874 3.031 8.709 1.00 51.23 O ATOM 238 CB ARG A 18 7.474 5.880 7.661 1.00 4.23 C ATOM 239 CG ARG A 18 6.924 7.274 7.789 1.00 31.51 C ATOM 240 CD ARG A 18 7.891 8.284 7.254 1.00 5.34 C ATOM 241 NE ARG A 18 9.155 8.313 8.003 1.00 2.23 N ATOM 242 CZ ARG A 18 9.986 9.367 8.070 1.00 0.51 C ATOM 243 NH1 ARG A 18 9.652 10.533 7.500 1.00 54.41 N ATOM 244 NH2 ARG A 18 11.138 9.262 8.732 1.00 53.13 N ATOM 0 H ARG A 18 6.566 5.312 9.971 1.00 14.41 H new ATOM 0 HA ARG A 18 5.638 4.880 7.244 1.00 60.13 H new ATOM 0 HB2 ARG A 18 8.321 5.766 8.337 1.00 4.23 H new ATOM 0 HB3 ARG A 18 7.852 5.736 6.649 1.00 4.23 H new ATOM 0 HG2 ARG A 18 5.980 7.347 7.249 1.00 31.51 H new ATOM 0 HG3 ARG A 18 6.710 7.489 8.836 1.00 31.51 H new ATOM 0 HD2 ARG A 18 8.099 8.063 6.207 1.00 5.34 H new ATOM 0 HD3 ARG A 18 7.432 9.272 7.286 1.00 5.34 H new ATOM 0 HE ARG A 18 9.422 7.469 8.510 1.00 2.23 H new ATOM 0 HH11 ARG A 18 8.762 10.625 7.011 1.00 54.41 H new ATOM 0 HH12 ARG A 18 10.288 11.328 7.555 1.00 54.41 H new ATOM 0 HH21 ARG A 18 11.387 8.383 9.186 1.00 53.13 H new ATOM 0 HH22 ARG A 18 11.771 10.060 8.784 1.00 53.13 H new ATOM 258 N LEU A 19 6.752 2.773 6.785 1.00 22.34 N ATOM 259 CA LEU A 19 7.303 1.483 6.482 1.00 33.10 C ATOM 260 C LEU A 19 8.097 1.581 5.191 1.00 51.24 C ATOM 261 O LEU A 19 7.626 2.166 4.216 1.00 65.32 O ATOM 262 CB LEU A 19 6.207 0.392 6.319 1.00 33.24 C ATOM 263 CG LEU A 19 5.342 0.017 7.547 1.00 52.50 C ATOM 264 CD1 LEU A 19 4.409 1.143 7.969 1.00 63.40 C ATOM 265 CD2 LEU A 19 4.556 -1.246 7.267 1.00 54.32 C ATOM 0 H LEU A 19 6.071 3.101 6.100 1.00 22.34 H new ATOM 0 HA LEU A 19 7.939 1.189 7.317 1.00 33.10 H new ATOM 0 HB2 LEU A 19 5.533 0.717 5.527 1.00 33.24 H new ATOM 0 HB3 LEU A 19 6.695 -0.517 5.969 1.00 33.24 H new ATOM 0 HG LEU A 19 6.023 -0.158 8.380 1.00 52.50 H new ATOM 0 HD11 LEU A 19 3.826 0.827 8.834 1.00 63.40 H new ATOM 0 HD12 LEU A 19 4.996 2.024 8.229 1.00 63.40 H new ATOM 0 HD13 LEU A 19 3.736 1.385 7.147 1.00 63.40 H new ATOM 0 HD21 LEU A 19 3.952 -1.499 8.138 1.00 54.32 H new ATOM 0 HD22 LEU A 19 3.905 -1.086 6.408 1.00 54.32 H new ATOM 0 HD23 LEU A 19 5.245 -2.063 7.053 1.00 54.32 H new ATOM 277 N PRO A 20 9.304 1.044 5.161 1.00 15.03 N ATOM 278 CA PRO A 20 10.125 1.039 3.955 1.00 44.23 C ATOM 279 C PRO A 20 9.607 0.033 2.955 1.00 34.51 C ATOM 280 O PRO A 20 8.813 -0.870 3.298 1.00 52.24 O ATOM 281 CB PRO A 20 11.501 0.621 4.472 1.00 0.12 C ATOM 282 CG PRO A 20 11.199 -0.219 5.655 1.00 2.01 C ATOM 283 CD PRO A 20 9.988 0.395 6.295 1.00 23.42 C ATOM 0 HA PRO A 20 10.130 1.999 3.439 1.00 44.23 H new ATOM 0 HB2 PRO A 20 12.058 0.064 3.719 1.00 0.12 H new ATOM 0 HB3 PRO A 20 12.106 1.487 4.741 1.00 0.12 H new ATOM 0 HG2 PRO A 20 11.006 -1.251 5.363 1.00 2.01 H new ATOM 0 HG3 PRO A 20 12.041 -0.236 6.347 1.00 2.01 H new ATOM 0 HD2 PRO A 20 9.358 -0.357 6.769 1.00 23.42 H new ATOM 0 HD3 PRO A 20 10.261 1.115 7.067 1.00 23.42 H new ATOM 291 N CYS A 21 10.069 0.152 1.749 1.00 25.34 N ATOM 292 CA CYS A 21 9.652 -0.699 0.665 1.00 73.43 C ATOM 293 C CYS A 21 10.097 -2.146 0.878 1.00 0.02 C ATOM 294 O CYS A 21 9.629 -3.057 0.202 1.00 70.25 O ATOM 295 CB CYS A 21 10.158 -0.151 -0.652 1.00 23.31 C ATOM 296 SG CYS A 21 9.517 1.514 -1.058 1.00 71.44 S ATOM 0 H CYS A 21 10.759 0.854 1.480 1.00 25.34 H new ATOM 0 HA CYS A 21 8.562 -0.707 0.639 1.00 73.43 H new ATOM 0 HB2 CYS A 21 11.247 -0.113 -0.624 1.00 23.31 H new ATOM 0 HB3 CYS A 21 9.883 -0.840 -1.451 1.00 23.31 H new ATOM 301 N SER A 22 10.996 -2.340 1.824 1.00 24.53 N ATOM 302 CA SER A 22 11.448 -3.645 2.221 1.00 51.33 C ATOM 303 C SER A 22 10.295 -4.412 2.896 1.00 74.24 C ATOM 304 O SER A 22 10.266 -5.630 2.894 1.00 62.41 O ATOM 305 CB SER A 22 12.652 -3.508 3.177 1.00 13.03 C ATOM 306 OG SER A 22 13.193 -4.769 3.543 1.00 14.01 O ATOM 0 H SER A 22 11.435 -1.579 2.342 1.00 24.53 H new ATOM 0 HA SER A 22 11.766 -4.206 1.342 1.00 51.33 H new ATOM 0 HB2 SER A 22 13.426 -2.907 2.700 1.00 13.03 H new ATOM 0 HB3 SER A 22 12.342 -2.973 4.075 1.00 13.03 H new ATOM 0 HG SER A 22 13.953 -4.636 4.147 1.00 14.01 H new ATOM 312 N ARG A 23 9.336 -3.678 3.460 1.00 22.31 N ATOM 313 CA ARG A 23 8.184 -4.304 4.098 1.00 10.33 C ATOM 314 C ARG A 23 7.030 -4.326 3.131 1.00 51.14 C ATOM 315 O ARG A 23 6.217 -5.260 3.131 1.00 51.41 O ATOM 316 CB ARG A 23 7.761 -3.541 5.351 1.00 42.53 C ATOM 317 CG ARG A 23 8.844 -3.393 6.387 1.00 60.01 C ATOM 318 CD ARG A 23 8.337 -2.659 7.605 1.00 0.44 C ATOM 319 NE ARG A 23 9.409 -2.364 8.548 1.00 63.00 N ATOM 320 CZ ARG A 23 9.243 -1.783 9.738 1.00 33.50 C ATOM 321 NH1 ARG A 23 8.025 -1.535 10.205 1.00 51.24 N ATOM 322 NH2 ARG A 23 10.298 -1.480 10.467 1.00 31.41 N ATOM 0 H ARG A 23 9.335 -2.658 3.487 1.00 22.31 H new ATOM 0 HA ARG A 23 8.465 -5.317 4.385 1.00 10.33 H new ATOM 0 HB2 ARG A 23 7.418 -2.549 5.058 1.00 42.53 H new ATOM 0 HB3 ARG A 23 6.911 -4.052 5.803 1.00 42.53 H new ATOM 0 HG2 ARG A 23 9.209 -4.378 6.678 1.00 60.01 H new ATOM 0 HG3 ARG A 23 9.689 -2.853 5.959 1.00 60.01 H new ATOM 0 HD2 ARG A 23 7.860 -1.729 7.296 1.00 0.44 H new ATOM 0 HD3 ARG A 23 7.574 -3.260 8.099 1.00 0.44 H new ATOM 0 HE ARG A 23 10.358 -2.621 8.278 1.00 63.00 H new ATOM 0 HH11 ARG A 23 7.206 -1.789 9.653 1.00 51.24 H new ATOM 0 HH12 ARG A 23 7.909 -1.091 11.116 1.00 51.24 H new ATOM 0 HH21 ARG A 23 11.234 -1.690 10.121 1.00 31.41 H new ATOM 0 HH22 ARG A 23 10.178 -1.036 11.377 1.00 31.41 H new ATOM 336 N ILE A 24 6.965 -3.281 2.304 1.00 44.41 N ATOM 337 CA ILE A 24 5.916 -3.111 1.315 1.00 73.10 C ATOM 338 C ILE A 24 5.949 -4.255 0.303 1.00 61.22 C ATOM 339 O ILE A 24 7.006 -4.616 -0.209 1.00 73.30 O ATOM 340 CB ILE A 24 6.068 -1.760 0.524 1.00 51.25 C ATOM 341 CG1 ILE A 24 6.052 -0.529 1.465 1.00 71.34 C ATOM 342 CG2 ILE A 24 4.963 -1.650 -0.517 1.00 42.25 C ATOM 343 CD1 ILE A 24 4.735 -0.234 2.119 1.00 0.42 C ATOM 0 H ILE A 24 7.650 -2.525 2.308 1.00 44.41 H new ATOM 0 HA ILE A 24 4.971 -3.103 1.859 1.00 73.10 H new ATOM 0 HB ILE A 24 7.038 -1.769 0.027 1.00 51.25 H new ATOM 0 HG12 ILE A 24 6.799 -0.679 2.244 1.00 71.34 H new ATOM 0 HG13 ILE A 24 6.359 0.347 0.894 1.00 71.34 H new ATOM 0 HG21 ILE A 24 5.070 -0.713 -1.064 1.00 42.25 H new ATOM 0 HG22 ILE A 24 5.034 -2.486 -1.212 1.00 42.25 H new ATOM 0 HG23 ILE A 24 3.993 -1.672 -0.021 1.00 42.25 H new ATOM 0 HD11 ILE A 24 4.834 0.645 2.755 1.00 0.42 H new ATOM 0 HD12 ILE A 24 3.983 -0.045 1.353 1.00 0.42 H new ATOM 0 HD13 ILE A 24 4.430 -1.088 2.724 1.00 0.42 H new ATOM 355 N LYS A 25 4.808 -4.839 0.058 1.00 5.35 N ATOM 356 CA LYS A 25 4.675 -5.837 -0.962 1.00 62.11 C ATOM 357 C LYS A 25 3.955 -5.217 -2.140 1.00 63.52 C ATOM 358 O LYS A 25 4.492 -5.092 -3.235 1.00 72.43 O ATOM 359 CB LYS A 25 3.823 -6.974 -0.467 1.00 10.22 C ATOM 360 CG LYS A 25 3.741 -8.111 -1.469 1.00 44.34 C ATOM 361 CD LYS A 25 2.580 -9.031 -1.197 1.00 35.33 C ATOM 362 CE LYS A 25 2.653 -9.727 0.142 1.00 0.32 C ATOM 363 NZ LYS A 25 1.494 -10.620 0.342 1.00 34.24 N ATOM 0 H LYS A 25 3.945 -4.635 0.562 1.00 5.35 H new ATOM 0 HA LYS A 25 5.665 -6.202 -1.236 1.00 62.11 H new ATOM 0 HB2 LYS A 25 4.231 -7.349 0.472 1.00 10.22 H new ATOM 0 HB3 LYS A 25 2.819 -6.607 -0.254 1.00 10.22 H new ATOM 0 HG2 LYS A 25 3.648 -7.700 -2.474 1.00 44.34 H new ATOM 0 HG3 LYS A 25 4.669 -8.683 -1.443 1.00 44.34 H new ATOM 0 HD2 LYS A 25 1.655 -8.457 -1.248 1.00 35.33 H new ATOM 0 HD3 LYS A 25 2.532 -9.783 -1.985 1.00 35.33 H new ATOM 0 HE2 LYS A 25 3.576 -10.304 0.205 1.00 0.32 H new ATOM 0 HE3 LYS A 25 2.686 -8.985 0.940 1.00 0.32 H new ATOM 0 HZ1 LYS A 25 1.570 -11.085 1.269 1.00 34.24 H new ATOM 0 HZ2 LYS A 25 0.616 -10.063 0.305 1.00 34.24 H new ATOM 0 HZ3 LYS A 25 1.478 -11.342 -0.407 1.00 34.24 H new ATOM 377 N THR A 26 2.742 -4.809 -1.878 1.00 71.24 N ATOM 378 CA THR A 26 1.872 -4.261 -2.860 1.00 32.40 C ATOM 379 C THR A 26 1.046 -3.183 -2.191 1.00 25.30 C ATOM 380 O THR A 26 1.018 -3.095 -0.949 1.00 3.22 O ATOM 381 CB THR A 26 0.925 -5.373 -3.433 1.00 21.54 C ATOM 382 OG1 THR A 26 0.104 -4.864 -4.489 1.00 22.15 O ATOM 383 CG2 THR A 26 0.028 -5.945 -2.345 1.00 13.45 C ATOM 0 H THR A 26 2.329 -4.854 -0.946 1.00 71.24 H new ATOM 0 HA THR A 26 2.451 -3.849 -3.687 1.00 32.40 H new ATOM 0 HB THR A 26 1.566 -6.162 -3.825 1.00 21.54 H new ATOM 0 HG1 THR A 26 -0.474 -5.579 -4.828 1.00 22.15 H new ATOM 0 HG21 THR A 26 -0.617 -6.713 -2.772 1.00 13.45 H new ATOM 0 HG22 THR A 26 0.643 -6.383 -1.559 1.00 13.45 H new ATOM 0 HG23 THR A 26 -0.586 -5.149 -1.924 1.00 13.45 H new ATOM 391 N TYR A 27 0.404 -2.374 -2.971 1.00 12.03 N ATOM 392 CA TYR A 27 -0.450 -1.362 -2.443 1.00 63.43 C ATOM 393 C TYR A 27 -1.761 -1.379 -3.207 1.00 54.50 C ATOM 394 O TYR A 27 -1.862 -1.960 -4.296 1.00 4.33 O ATOM 395 CB TYR A 27 0.190 0.039 -2.531 1.00 14.51 C ATOM 396 CG TYR A 27 0.404 0.509 -3.926 1.00 70.33 C ATOM 397 CD1 TYR A 27 -0.610 1.155 -4.595 1.00 35.23 C ATOM 398 CD2 TYR A 27 1.603 0.312 -4.573 1.00 42.03 C ATOM 399 CE1 TYR A 27 -0.455 1.592 -5.863 1.00 40.00 C ATOM 400 CE2 TYR A 27 1.774 0.749 -5.868 1.00 31.04 C ATOM 401 CZ TYR A 27 0.743 1.391 -6.510 1.00 21.12 C ATOM 402 OH TYR A 27 0.908 1.831 -7.798 1.00 70.42 O ATOM 0 H TYR A 27 0.457 -2.397 -3.989 1.00 12.03 H new ATOM 0 HA TYR A 27 -0.620 -1.574 -1.387 1.00 63.43 H new ATOM 0 HB2 TYR A 27 -0.447 0.754 -2.009 1.00 14.51 H new ATOM 0 HB3 TYR A 27 1.147 0.025 -2.010 1.00 14.51 H new ATOM 0 HD1 TYR A 27 -1.553 1.316 -4.094 1.00 35.23 H new ATOM 0 HD2 TYR A 27 2.413 -0.188 -4.063 1.00 42.03 H new ATOM 0 HE1 TYR A 27 -1.266 2.096 -6.367 1.00 40.00 H new ATOM 0 HE2 TYR A 27 2.713 0.588 -6.376 1.00 31.04 H new ATOM 0 HH TYR A 27 0.352 2.624 -7.947 1.00 70.42 H new ATOM 412 N THR A 28 -2.738 -0.800 -2.636 1.00 50.43 N ATOM 413 CA THR A 28 -4.013 -0.636 -3.234 1.00 73.31 C ATOM 414 C THR A 28 -4.523 0.740 -2.859 1.00 21.45 C ATOM 415 O THR A 28 -4.708 1.033 -1.684 1.00 54.13 O ATOM 416 CB THR A 28 -4.994 -1.716 -2.748 1.00 14.13 C ATOM 417 OG1 THR A 28 -4.432 -3.021 -3.003 1.00 74.21 O ATOM 418 CG2 THR A 28 -6.333 -1.601 -3.473 1.00 62.54 C ATOM 0 H THR A 28 -2.677 -0.407 -1.697 1.00 50.43 H new ATOM 0 HA THR A 28 -3.930 -0.735 -4.316 1.00 73.31 H new ATOM 0 HB THR A 28 -5.160 -1.576 -1.680 1.00 14.13 H new ATOM 0 HG1 THR A 28 -5.054 -3.712 -2.693 1.00 74.21 H new ATOM 0 HG21 THR A 28 -7.010 -2.375 -3.112 1.00 62.54 H new ATOM 0 HG22 THR A 28 -6.768 -0.620 -3.280 1.00 62.54 H new ATOM 0 HG23 THR A 28 -6.178 -1.725 -4.545 1.00 62.54 H new ATOM 426 N ILE A 29 -4.723 1.568 -3.818 1.00 40.00 N ATOM 427 CA ILE A 29 -5.224 2.889 -3.547 1.00 71.41 C ATOM 428 C ILE A 29 -6.735 2.835 -3.609 1.00 54.30 C ATOM 429 O ILE A 29 -7.297 2.196 -4.492 1.00 23.41 O ATOM 430 CB ILE A 29 -4.666 3.951 -4.550 1.00 61.34 C ATOM 431 CG1 ILE A 29 -3.125 4.007 -4.465 1.00 71.52 C ATOM 432 CG2 ILE A 29 -5.265 5.337 -4.268 1.00 22.13 C ATOM 433 CD1 ILE A 29 -2.485 4.985 -5.434 1.00 3.52 C ATOM 0 H ILE A 29 -4.551 1.366 -4.803 1.00 40.00 H new ATOM 0 HA ILE A 29 -4.891 3.201 -2.557 1.00 71.41 H new ATOM 0 HB ILE A 29 -4.954 3.654 -5.558 1.00 61.34 H new ATOM 0 HG12 ILE A 29 -2.838 4.278 -3.449 1.00 71.52 H new ATOM 0 HG13 ILE A 29 -2.725 3.011 -4.654 1.00 71.52 H new ATOM 0 HG21 ILE A 29 -4.862 6.059 -4.978 1.00 22.13 H new ATOM 0 HG22 ILE A 29 -6.349 5.293 -4.371 1.00 22.13 H new ATOM 0 HG23 ILE A 29 -5.010 5.644 -3.254 1.00 22.13 H new ATOM 0 HD11 ILE A 29 -1.402 4.964 -5.310 1.00 3.52 H new ATOM 0 HD12 ILE A 29 -2.739 4.704 -6.456 1.00 3.52 H new ATOM 0 HD13 ILE A 29 -2.853 5.991 -5.232 1.00 3.52 H new ATOM 445 N THR A 30 -7.376 3.459 -2.665 1.00 71.12 N ATOM 446 CA THR A 30 -8.798 3.470 -2.597 1.00 34.00 C ATOM 447 C THR A 30 -9.232 4.884 -2.598 1.00 25.34 C ATOM 448 O THR A 30 -8.668 5.700 -1.859 1.00 15.34 O ATOM 449 CB THR A 30 -9.321 2.736 -1.336 1.00 13.20 C ATOM 450 OG1 THR A 30 -8.749 3.299 -0.139 1.00 4.21 O ATOM 451 CG2 THR A 30 -8.995 1.251 -1.400 1.00 53.43 C ATOM 0 H THR A 30 -6.917 3.978 -1.916 1.00 71.12 H new ATOM 0 HA THR A 30 -9.210 2.938 -3.454 1.00 34.00 H new ATOM 0 HB THR A 30 -10.403 2.863 -1.307 1.00 13.20 H new ATOM 0 HG1 THR A 30 -7.783 3.409 -0.259 1.00 4.21 H new ATOM 0 HG21 THR A 30 -9.372 0.757 -0.504 1.00 53.43 H new ATOM 0 HG22 THR A 30 -9.465 0.813 -2.281 1.00 53.43 H new ATOM 0 HG23 THR A 30 -7.915 1.118 -1.461 1.00 53.43 H new ATOM 459 N GLU A 31 -10.175 5.210 -3.423 1.00 1.22 N ATOM 460 CA GLU A 31 -10.554 6.562 -3.557 1.00 52.42 C ATOM 461 C GLU A 31 -12.005 6.743 -3.915 1.00 0.12 C ATOM 462 O GLU A 31 -12.550 6.043 -4.762 1.00 1.22 O ATOM 463 CB GLU A 31 -9.625 7.238 -4.557 1.00 14.04 C ATOM 464 CG GLU A 31 -9.546 6.559 -5.910 1.00 52.32 C ATOM 465 CD GLU A 31 -8.473 7.159 -6.752 1.00 65.33 C ATOM 466 OE1 GLU A 31 -8.703 8.205 -7.351 1.00 40.13 O ATOM 467 OE2 GLU A 31 -7.350 6.602 -6.791 1.00 22.32 O ATOM 0 H GLU A 31 -10.690 4.553 -4.009 1.00 1.22 H new ATOM 0 HA GLU A 31 -10.450 7.042 -2.584 1.00 52.42 H new ATOM 0 HB2 GLU A 31 -9.956 8.267 -4.701 1.00 14.04 H new ATOM 0 HB3 GLU A 31 -8.623 7.282 -4.129 1.00 14.04 H new ATOM 0 HG2 GLU A 31 -9.354 5.495 -5.775 1.00 52.32 H new ATOM 0 HG3 GLU A 31 -10.505 6.647 -6.421 1.00 52.32 H new ATOM 474 N GLY A 32 -12.614 7.642 -3.211 1.00 23.41 N ATOM 475 CA GLY A 32 -13.961 8.069 -3.473 1.00 53.11 C ATOM 476 C GLY A 32 -14.088 9.501 -3.045 1.00 5.35 C ATOM 477 O GLY A 32 -14.052 10.419 -3.865 1.00 32.34 O ATOM 0 H GLY A 32 -12.182 8.115 -2.417 1.00 23.41 H new ATOM 0 HA2 GLY A 32 -14.193 7.967 -4.533 1.00 53.11 H new ATOM 0 HA3 GLY A 32 -14.671 7.445 -2.930 1.00 53.11 H new ATOM 481 N SER A 33 -14.192 9.689 -1.764 1.00 1.35 N ATOM 482 CA SER A 33 -14.180 10.998 -1.176 1.00 3.21 C ATOM 483 C SER A 33 -12.828 11.197 -0.489 1.00 20.04 C ATOM 484 O SER A 33 -12.237 12.284 -0.510 1.00 10.24 O ATOM 485 CB SER A 33 -15.339 11.133 -0.190 1.00 75.24 C ATOM 486 OG SER A 33 -15.311 10.088 0.778 1.00 74.11 O ATOM 0 H SER A 33 -14.289 8.931 -1.089 1.00 1.35 H new ATOM 0 HA SER A 33 -14.310 11.768 -1.936 1.00 3.21 H new ATOM 0 HB2 SER A 33 -15.284 12.099 0.311 1.00 75.24 H new ATOM 0 HB3 SER A 33 -16.285 11.108 -0.730 1.00 75.24 H new ATOM 0 HG SER A 33 -16.061 10.197 1.399 1.00 74.11 H new ATOM 492 N LEU A 34 -12.343 10.118 0.086 1.00 54.24 N ATOM 493 CA LEU A 34 -11.060 10.043 0.735 1.00 51.03 C ATOM 494 C LEU A 34 -10.187 9.091 -0.060 1.00 42.22 C ATOM 495 O LEU A 34 -10.700 8.143 -0.671 1.00 45.25 O ATOM 496 CB LEU A 34 -11.239 9.495 2.174 1.00 55.40 C ATOM 497 CG LEU A 34 -9.966 9.249 2.991 1.00 62.45 C ATOM 498 CD1 LEU A 34 -9.190 10.531 3.224 1.00 44.40 C ATOM 499 CD2 LEU A 34 -10.286 8.553 4.308 1.00 21.12 C ATOM 0 H LEU A 34 -12.855 9.236 0.113 1.00 54.24 H new ATOM 0 HA LEU A 34 -10.602 11.031 0.785 1.00 51.03 H new ATOM 0 HB2 LEU A 34 -11.866 10.195 2.727 1.00 55.40 H new ATOM 0 HB3 LEU A 34 -11.788 8.555 2.112 1.00 55.40 H new ATOM 0 HG LEU A 34 -9.328 8.587 2.406 1.00 62.45 H new ATOM 0 HD11 LEU A 34 -8.295 10.314 3.807 1.00 44.40 H new ATOM 0 HD12 LEU A 34 -8.903 10.962 2.265 1.00 44.40 H new ATOM 0 HD13 LEU A 34 -9.814 11.240 3.768 1.00 44.40 H new ATOM 0 HD21 LEU A 34 -9.365 8.391 4.867 1.00 21.12 H new ATOM 0 HD22 LEU A 34 -10.961 9.176 4.894 1.00 21.12 H new ATOM 0 HD23 LEU A 34 -10.761 7.593 4.106 1.00 21.12 H new ATOM 511 N ARG A 35 -8.909 9.347 -0.099 1.00 45.41 N ATOM 512 CA ARG A 35 -7.997 8.449 -0.744 1.00 34.44 C ATOM 513 C ARG A 35 -7.094 7.866 0.297 1.00 60.54 C ATOM 514 O ARG A 35 -6.505 8.598 1.092 1.00 33.53 O ATOM 515 CB ARG A 35 -7.167 9.137 -1.835 1.00 55.15 C ATOM 516 CG ARG A 35 -8.004 9.807 -2.888 1.00 32.21 C ATOM 517 CD ARG A 35 -7.168 10.382 -4.030 1.00 14.53 C ATOM 518 NE ARG A 35 -6.698 9.350 -4.977 1.00 52.12 N ATOM 519 CZ ARG A 35 -5.755 9.532 -5.922 1.00 23.31 C ATOM 520 NH1 ARG A 35 -4.978 10.612 -5.908 1.00 1.35 N ATOM 521 NH2 ARG A 35 -5.582 8.608 -6.865 1.00 64.23 N ATOM 0 H ARG A 35 -8.476 10.174 0.311 1.00 45.41 H new ATOM 0 HA ARG A 35 -8.576 7.669 -1.238 1.00 34.44 H new ATOM 0 HB2 ARG A 35 -6.516 9.879 -1.372 1.00 55.15 H new ATOM 0 HB3 ARG A 35 -6.521 8.398 -2.310 1.00 55.15 H new ATOM 0 HG2 ARG A 35 -8.717 9.088 -3.292 1.00 32.21 H new ATOM 0 HG3 ARG A 35 -8.584 10.608 -2.430 1.00 32.21 H new ATOM 0 HD2 ARG A 35 -7.760 11.121 -4.570 1.00 14.53 H new ATOM 0 HD3 ARG A 35 -6.307 10.906 -3.615 1.00 14.53 H new ATOM 0 HE ARG A 35 -7.122 8.425 -4.910 1.00 52.12 H new ATOM 0 HH11 ARG A 35 -5.093 11.313 -5.176 1.00 1.35 H new ATOM 0 HH12 ARG A 35 -4.268 10.739 -6.629 1.00 1.35 H new ATOM 0 HH21 ARG A 35 -6.162 7.769 -6.869 1.00 64.23 H new ATOM 0 HH22 ARG A 35 -4.870 8.740 -7.583 1.00 64.23 H new ATOM 535 N ALA A 36 -7.013 6.578 0.318 1.00 10.34 N ATOM 536 CA ALA A 36 -6.161 5.877 1.236 1.00 25.31 C ATOM 537 C ALA A 36 -5.400 4.830 0.487 1.00 11.13 C ATOM 538 O ALA A 36 -5.978 4.114 -0.351 1.00 22.34 O ATOM 539 CB ALA A 36 -6.977 5.235 2.343 1.00 73.02 C ATOM 0 H ALA A 36 -7.541 5.969 -0.307 1.00 10.34 H new ATOM 0 HA ALA A 36 -5.468 6.583 1.693 1.00 25.31 H new ATOM 0 HB1 ALA A 36 -6.311 4.709 3.027 1.00 73.02 H new ATOM 0 HB2 ALA A 36 -7.522 6.006 2.888 1.00 73.02 H new ATOM 0 HB3 ALA A 36 -7.685 4.528 1.910 1.00 73.02 H new ATOM 545 N VAL A 37 -4.128 4.753 0.734 1.00 52.43 N ATOM 546 CA VAL A 37 -3.302 3.780 0.110 1.00 2.13 C ATOM 547 C VAL A 37 -3.117 2.641 1.079 1.00 33.31 C ATOM 548 O VAL A 37 -2.527 2.814 2.140 1.00 24.21 O ATOM 549 CB VAL A 37 -1.912 4.357 -0.225 1.00 73.31 C ATOM 550 CG1 VAL A 37 -1.095 3.368 -1.030 1.00 61.24 C ATOM 551 CG2 VAL A 37 -2.023 5.693 -0.940 1.00 71.15 C ATOM 0 H VAL A 37 -3.636 5.371 1.380 1.00 52.43 H new ATOM 0 HA VAL A 37 -3.776 3.455 -0.816 1.00 2.13 H new ATOM 0 HB VAL A 37 -1.391 4.534 0.716 1.00 73.31 H new ATOM 0 HG11 VAL A 37 -0.119 3.799 -1.253 1.00 61.24 H new ATOM 0 HG12 VAL A 37 -0.964 2.451 -0.455 1.00 61.24 H new ATOM 0 HG13 VAL A 37 -1.613 3.141 -1.962 1.00 61.24 H new ATOM 0 HG21 VAL A 37 -1.025 6.071 -1.161 1.00 71.15 H new ATOM 0 HG22 VAL A 37 -2.576 5.563 -1.870 1.00 71.15 H new ATOM 0 HG23 VAL A 37 -2.548 6.404 -0.302 1.00 71.15 H new ATOM 561 N ILE A 38 -3.628 1.511 0.745 1.00 41.13 N ATOM 562 CA ILE A 38 -3.486 0.370 1.584 1.00 35.10 C ATOM 563 C ILE A 38 -2.266 -0.402 1.152 1.00 21.23 C ATOM 564 O ILE A 38 -2.197 -0.884 0.029 1.00 13.04 O ATOM 565 CB ILE A 38 -4.733 -0.551 1.539 1.00 4.45 C ATOM 566 CG1 ILE A 38 -5.986 0.221 1.969 1.00 71.35 C ATOM 567 CG2 ILE A 38 -4.534 -1.781 2.429 1.00 53.31 C ATOM 568 CD1 ILE A 38 -7.247 -0.613 1.951 1.00 33.45 C ATOM 0 H ILE A 38 -4.155 1.348 -0.113 1.00 41.13 H new ATOM 0 HA ILE A 38 -3.379 0.716 2.612 1.00 35.10 H new ATOM 0 HB ILE A 38 -4.868 -0.890 0.512 1.00 4.45 H new ATOM 0 HG12 ILE A 38 -5.834 0.613 2.975 1.00 71.35 H new ATOM 0 HG13 ILE A 38 -6.118 1.079 1.309 1.00 71.35 H new ATOM 0 HG21 ILE A 38 -5.421 -2.412 2.381 1.00 53.31 H new ATOM 0 HG22 ILE A 38 -3.668 -2.345 2.082 1.00 53.31 H new ATOM 0 HG23 ILE A 38 -4.370 -1.463 3.458 1.00 53.31 H new ATOM 0 HD11 ILE A 38 -8.092 -0.001 2.267 1.00 33.45 H new ATOM 0 HD12 ILE A 38 -7.424 -0.983 0.941 1.00 33.45 H new ATOM 0 HD13 ILE A 38 -7.135 -1.456 2.632 1.00 33.45 H new ATOM 580 N PHE A 39 -1.317 -0.476 2.014 1.00 55.14 N ATOM 581 CA PHE A 39 -0.124 -1.214 1.769 1.00 34.05 C ATOM 582 C PHE A 39 -0.204 -2.530 2.408 1.00 71.41 C ATOM 583 O PHE A 39 -0.612 -2.645 3.556 1.00 1.23 O ATOM 584 CB PHE A 39 1.113 -0.499 2.264 1.00 22.33 C ATOM 585 CG PHE A 39 1.534 0.627 1.410 1.00 24.32 C ATOM 586 CD1 PHE A 39 2.095 0.365 0.182 1.00 62.11 C ATOM 587 CD2 PHE A 39 1.412 1.929 1.824 1.00 31.21 C ATOM 588 CE1 PHE A 39 2.525 1.372 -0.624 1.00 23.54 C ATOM 589 CE2 PHE A 39 1.839 2.950 1.015 1.00 5.20 C ATOM 590 CZ PHE A 39 2.399 2.659 -0.221 1.00 31.12 C ATOM 0 H PHE A 39 -1.345 -0.019 2.926 1.00 55.14 H new ATOM 0 HA PHE A 39 -0.038 -1.321 0.688 1.00 34.05 H new ATOM 0 HB2 PHE A 39 0.927 -0.128 3.272 1.00 22.33 H new ATOM 0 HB3 PHE A 39 1.932 -1.215 2.334 1.00 22.33 H new ATOM 0 HD1 PHE A 39 2.196 -0.658 -0.148 1.00 62.11 H new ATOM 0 HD2 PHE A 39 0.979 2.150 2.788 1.00 31.21 H new ATOM 0 HE1 PHE A 39 2.966 1.146 -1.584 1.00 23.54 H new ATOM 0 HE2 PHE A 39 1.740 3.976 1.338 1.00 5.20 H new ATOM 0 HZ PHE A 39 2.735 3.460 -0.863 1.00 31.12 H new ATOM 600 N ILE A 40 0.157 -3.523 1.697 1.00 34.13 N ATOM 601 CA ILE A 40 0.167 -4.814 2.252 1.00 0.45 C ATOM 602 C ILE A 40 1.601 -5.183 2.441 1.00 4.52 C ATOM 603 O ILE A 40 2.419 -4.991 1.525 1.00 25.04 O ATOM 604 CB ILE A 40 -0.497 -5.861 1.342 1.00 24.50 C ATOM 605 CG1 ILE A 40 -1.814 -5.323 0.754 1.00 43.14 C ATOM 606 CG2 ILE A 40 -0.784 -7.101 2.174 1.00 52.13 C ATOM 607 CD1 ILE A 40 -2.852 -4.936 1.794 1.00 45.03 C ATOM 0 H ILE A 40 0.452 -3.466 0.722 1.00 34.13 H new ATOM 0 HA ILE A 40 -0.398 -4.804 3.184 1.00 0.45 H new ATOM 0 HB ILE A 40 0.173 -6.096 0.515 1.00 24.50 H new ATOM 0 HG12 ILE A 40 -1.593 -4.452 0.137 1.00 43.14 H new ATOM 0 HG13 ILE A 40 -2.241 -6.080 0.096 1.00 43.14 H new ATOM 0 HG21 ILE A 40 -1.256 -7.858 1.548 1.00 52.13 H new ATOM 0 HG22 ILE A 40 0.150 -7.493 2.576 1.00 52.13 H new ATOM 0 HG23 ILE A 40 -1.452 -6.842 2.995 1.00 52.13 H new ATOM 0 HD11 ILE A 40 -3.748 -4.568 1.294 1.00 45.03 H new ATOM 0 HD12 ILE A 40 -3.105 -5.808 2.397 1.00 45.03 H new ATOM 0 HD13 ILE A 40 -2.448 -4.155 2.438 1.00 45.03 H new ATOM 619 N THR A 41 1.931 -5.660 3.591 1.00 71.11 N ATOM 620 CA THR A 41 3.270 -6.049 3.855 1.00 30.00 C ATOM 621 C THR A 41 3.476 -7.482 3.414 1.00 10.41 C ATOM 622 O THR A 41 2.508 -8.210 3.168 1.00 24.04 O ATOM 623 CB THR A 41 3.599 -5.918 5.356 1.00 53.41 C ATOM 624 OG1 THR A 41 2.689 -6.725 6.130 1.00 13.44 O ATOM 625 CG2 THR A 41 3.498 -4.466 5.798 1.00 72.20 C ATOM 0 H THR A 41 1.285 -5.790 4.369 1.00 71.11 H new ATOM 0 HA THR A 41 3.936 -5.390 3.299 1.00 30.00 H new ATOM 0 HB THR A 41 4.619 -6.265 5.519 1.00 53.41 H new ATOM 0 HG1 THR A 41 2.904 -6.639 7.082 1.00 13.44 H new ATOM 0 HG21 THR A 41 3.733 -4.392 6.860 1.00 72.20 H new ATOM 0 HG22 THR A 41 4.203 -3.862 5.227 1.00 72.20 H new ATOM 0 HG23 THR A 41 2.485 -4.102 5.625 1.00 72.20 H new ATOM 633 N LYS A 42 4.719 -7.898 3.316 1.00 1.43 N ATOM 634 CA LYS A 42 5.035 -9.277 2.974 1.00 2.03 C ATOM 635 C LYS A 42 4.665 -10.229 4.113 1.00 65.03 C ATOM 636 O LYS A 42 4.687 -11.450 3.961 1.00 14.14 O ATOM 637 CB LYS A 42 6.490 -9.416 2.617 1.00 23.10 C ATOM 638 CG LYS A 42 7.427 -9.039 3.722 1.00 45.01 C ATOM 639 CD LYS A 42 8.839 -9.234 3.289 1.00 43.31 C ATOM 640 CE LYS A 42 9.210 -8.319 2.130 1.00 72.52 C ATOM 641 NZ LYS A 42 10.641 -8.405 1.797 1.00 13.33 N ATOM 0 H LYS A 42 5.533 -7.303 3.468 1.00 1.43 H new ATOM 0 HA LYS A 42 4.439 -9.550 2.103 1.00 2.03 H new ATOM 0 HB2 LYS A 42 6.685 -10.448 2.325 1.00 23.10 H new ATOM 0 HB3 LYS A 42 6.701 -8.794 1.747 1.00 23.10 H new ATOM 0 HG2 LYS A 42 7.266 -7.999 4.006 1.00 45.01 H new ATOM 0 HG3 LYS A 42 7.223 -9.645 4.604 1.00 45.01 H new ATOM 0 HD2 LYS A 42 9.506 -9.043 4.130 1.00 43.31 H new ATOM 0 HD3 LYS A 42 8.988 -10.273 2.993 1.00 43.31 H new ATOM 0 HE2 LYS A 42 8.617 -8.584 1.254 1.00 72.52 H new ATOM 0 HE3 LYS A 42 8.958 -7.290 2.386 1.00 72.52 H new ATOM 0 HZ1 LYS A 42 11.114 -7.520 2.068 1.00 13.33 H new ATOM 0 HZ2 LYS A 42 11.070 -9.199 2.313 1.00 13.33 H new ATOM 0 HZ3 LYS A 42 10.751 -8.557 0.774 1.00 13.33 H new ATOM 655 N ARG A 43 4.319 -9.649 5.253 1.00 20.31 N ATOM 656 CA ARG A 43 3.911 -10.397 6.420 1.00 1.20 C ATOM 657 C ARG A 43 2.424 -10.772 6.225 1.00 64.04 C ATOM 658 O ARG A 43 1.912 -11.695 6.844 1.00 15.02 O ATOM 659 CB ARG A 43 4.124 -9.489 7.669 1.00 73.32 C ATOM 660 CG ARG A 43 4.211 -10.172 9.056 1.00 55.02 C ATOM 661 CD ARG A 43 2.928 -10.838 9.537 1.00 35.15 C ATOM 662 NE ARG A 43 3.106 -11.407 10.884 1.00 5.24 N ATOM 663 CZ ARG A 43 2.234 -12.202 11.530 1.00 31.15 C ATOM 664 NH1 ARG A 43 1.078 -12.537 10.968 1.00 65.34 N ATOM 665 NH2 ARG A 43 2.529 -12.650 12.740 1.00 63.34 N ATOM 0 H ARG A 43 4.315 -8.638 5.389 1.00 20.31 H new ATOM 0 HA ARG A 43 4.489 -11.310 6.561 1.00 1.20 H new ATOM 0 HB2 ARG A 43 5.043 -8.922 7.517 1.00 73.32 H new ATOM 0 HB3 ARG A 43 3.307 -8.769 7.702 1.00 73.32 H new ATOM 0 HG2 ARG A 43 5.000 -10.923 9.024 1.00 55.02 H new ATOM 0 HG3 ARG A 43 4.511 -9.426 9.792 1.00 55.02 H new ATOM 0 HD2 ARG A 43 2.118 -10.109 9.550 1.00 35.15 H new ATOM 0 HD3 ARG A 43 2.638 -11.625 8.841 1.00 35.15 H new ATOM 0 HE ARG A 43 3.971 -11.177 11.373 1.00 5.24 H new ATOM 0 HH11 ARG A 43 0.844 -12.191 10.037 1.00 65.34 H new ATOM 0 HH12 ARG A 43 0.424 -13.140 11.467 1.00 65.34 H new ATOM 0 HH21 ARG A 43 3.413 -12.392 13.178 1.00 63.34 H new ATOM 0 HH22 ARG A 43 1.872 -13.253 13.235 1.00 63.34 H new ATOM 679 N GLY A 44 1.760 -10.062 5.321 1.00 3.33 N ATOM 680 CA GLY A 44 0.369 -10.335 5.016 1.00 54.01 C ATOM 681 C GLY A 44 -0.580 -9.410 5.734 1.00 62.13 C ATOM 682 O GLY A 44 -1.790 -9.648 5.763 1.00 71.42 O ATOM 0 H GLY A 44 2.167 -9.293 4.788 1.00 3.33 H new ATOM 0 HA2 GLY A 44 0.213 -10.245 3.941 1.00 54.01 H new ATOM 0 HA3 GLY A 44 0.138 -11.366 5.286 1.00 54.01 H new ATOM 686 N LEU A 45 -0.047 -8.357 6.301 1.00 32.04 N ATOM 687 CA LEU A 45 -0.848 -7.415 7.048 1.00 14.42 C ATOM 688 C LEU A 45 -1.178 -6.221 6.227 1.00 53.43 C ATOM 689 O LEU A 45 -0.418 -5.819 5.335 1.00 51.13 O ATOM 690 CB LEU A 45 -0.157 -7.006 8.333 1.00 2.41 C ATOM 691 CG LEU A 45 0.106 -8.130 9.323 1.00 63.01 C ATOM 692 CD1 LEU A 45 0.797 -7.594 10.550 1.00 24.31 C ATOM 693 CD2 LEU A 45 -1.185 -8.822 9.711 1.00 34.14 C ATOM 0 H LEU A 45 0.946 -8.128 6.260 1.00 32.04 H new ATOM 0 HA LEU A 45 -1.781 -7.914 7.310 1.00 14.42 H new ATOM 0 HB2 LEU A 45 0.795 -6.538 8.080 1.00 2.41 H new ATOM 0 HB3 LEU A 45 -0.764 -6.247 8.826 1.00 2.41 H new ATOM 0 HG LEU A 45 0.755 -8.862 8.842 1.00 63.01 H new ATOM 0 HD11 LEU A 45 0.979 -8.409 11.250 1.00 24.31 H new ATOM 0 HD12 LEU A 45 1.747 -7.142 10.264 1.00 24.31 H new ATOM 0 HD13 LEU A 45 0.166 -6.843 11.024 1.00 24.31 H new ATOM 0 HD21 LEU A 45 -0.970 -9.622 10.420 1.00 34.14 H new ATOM 0 HD22 LEU A 45 -1.860 -8.101 10.171 1.00 34.14 H new ATOM 0 HD23 LEU A 45 -1.654 -9.242 8.821 1.00 34.14 H new ATOM 705 N LYS A 46 -2.296 -5.664 6.537 1.00 45.31 N ATOM 706 CA LYS A 46 -2.832 -4.548 5.842 1.00 14.42 C ATOM 707 C LYS A 46 -2.570 -3.277 6.579 1.00 30.41 C ATOM 708 O LYS A 46 -3.021 -3.088 7.716 1.00 32.04 O ATOM 709 CB LYS A 46 -4.309 -4.754 5.669 1.00 70.51 C ATOM 710 CG LYS A 46 -4.642 -5.845 4.709 1.00 3.00 C ATOM 711 CD LYS A 46 -6.068 -6.222 4.821 1.00 64.54 C ATOM 712 CE LYS A 46 -6.483 -7.088 3.661 1.00 43.53 C ATOM 713 NZ LYS A 46 -7.905 -7.463 3.726 1.00 62.20 N ATOM 0 H LYS A 46 -2.882 -5.984 7.308 1.00 45.31 H new ATOM 0 HA LYS A 46 -2.349 -4.468 4.868 1.00 14.42 H new ATOM 0 HB2 LYS A 46 -4.753 -4.983 6.638 1.00 70.51 H new ATOM 0 HB3 LYS A 46 -4.761 -3.824 5.323 1.00 70.51 H new ATOM 0 HG2 LYS A 46 -4.425 -5.520 3.691 1.00 3.00 H new ATOM 0 HG3 LYS A 46 -4.014 -6.714 4.906 1.00 3.00 H new ATOM 0 HD2 LYS A 46 -6.236 -6.755 5.757 1.00 64.54 H new ATOM 0 HD3 LYS A 46 -6.685 -5.324 4.850 1.00 64.54 H new ATOM 0 HE2 LYS A 46 -6.291 -6.558 2.728 1.00 43.53 H new ATOM 0 HE3 LYS A 46 -5.872 -7.990 3.647 1.00 43.53 H new ATOM 0 HZ1 LYS A 46 -7.987 -8.492 3.855 1.00 62.20 H new ATOM 0 HZ2 LYS A 46 -8.356 -6.976 4.527 1.00 62.20 H new ATOM 0 HZ3 LYS A 46 -8.378 -7.186 2.842 1.00 62.20 H new ATOM 727 N VAL A 47 -1.854 -2.422 5.944 1.00 52.20 N ATOM 728 CA VAL A 47 -1.539 -1.134 6.487 1.00 22.33 C ATOM 729 C VAL A 47 -2.266 -0.076 5.659 1.00 4.34 C ATOM 730 O VAL A 47 -2.448 -0.249 4.470 1.00 52.30 O ATOM 731 CB VAL A 47 0.003 -0.876 6.467 1.00 34.03 C ATOM 732 CG1 VAL A 47 0.362 0.476 7.073 1.00 33.42 C ATOM 733 CG2 VAL A 47 0.744 -1.996 7.190 1.00 74.35 C ATOM 0 H VAL A 47 -1.460 -2.591 5.018 1.00 52.20 H new ATOM 0 HA VAL A 47 -1.862 -1.088 7.527 1.00 22.33 H new ATOM 0 HB VAL A 47 0.316 -0.861 5.423 1.00 34.03 H new ATOM 0 HG11 VAL A 47 1.443 0.615 7.039 1.00 33.42 H new ATOM 0 HG12 VAL A 47 -0.124 1.270 6.505 1.00 33.42 H new ATOM 0 HG13 VAL A 47 0.024 0.512 8.109 1.00 33.42 H new ATOM 0 HG21 VAL A 47 1.816 -1.798 7.165 1.00 74.35 H new ATOM 0 HG22 VAL A 47 0.408 -2.045 8.226 1.00 74.35 H new ATOM 0 HG23 VAL A 47 0.539 -2.946 6.696 1.00 74.35 H new ATOM 743 N CYS A 48 -2.674 0.998 6.267 1.00 71.13 N ATOM 744 CA CYS A 48 -3.380 2.024 5.540 1.00 70.11 C ATOM 745 C CYS A 48 -2.612 3.308 5.691 1.00 64.35 C ATOM 746 O CYS A 48 -2.342 3.740 6.798 1.00 50.11 O ATOM 747 CB CYS A 48 -4.773 2.187 6.122 1.00 32.33 C ATOM 748 SG CYS A 48 -5.760 0.659 6.138 1.00 51.04 S ATOM 0 H CYS A 48 -2.534 1.191 7.259 1.00 71.13 H new ATOM 0 HA CYS A 48 -3.468 1.758 4.487 1.00 70.11 H new ATOM 0 HB2 CYS A 48 -4.687 2.561 7.142 1.00 32.33 H new ATOM 0 HB3 CYS A 48 -5.307 2.945 5.549 1.00 32.33 H new ATOM 753 N ALA A 49 -2.283 3.921 4.593 1.00 42.33 N ATOM 754 CA ALA A 49 -1.427 5.070 4.595 1.00 54.41 C ATOM 755 C ALA A 49 -1.988 6.197 3.749 1.00 71.30 C ATOM 756 O ALA A 49 -2.733 5.964 2.797 1.00 63.42 O ATOM 757 CB ALA A 49 -0.055 4.661 4.111 1.00 53.51 C ATOM 0 H ALA A 49 -2.602 3.637 3.667 1.00 42.33 H new ATOM 0 HA ALA A 49 -1.358 5.452 5.614 1.00 54.41 H new ATOM 0 HB1 ALA A 49 0.604 5.529 4.109 1.00 53.51 H new ATOM 0 HB2 ALA A 49 0.352 3.898 4.774 1.00 53.51 H new ATOM 0 HB3 ALA A 49 -0.130 4.260 3.100 1.00 53.51 H new ATOM 763 N ASP A 50 -1.646 7.410 4.120 1.00 3.21 N ATOM 764 CA ASP A 50 -2.119 8.606 3.430 1.00 14.15 C ATOM 765 C ASP A 50 -1.330 8.856 2.142 1.00 52.44 C ATOM 766 O ASP A 50 -0.110 8.890 2.160 1.00 14.41 O ATOM 767 CB ASP A 50 -2.015 9.806 4.360 1.00 71.10 C ATOM 768 CG ASP A 50 -2.425 11.097 3.704 1.00 24.24 C ATOM 769 OD1 ASP A 50 -3.634 11.331 3.523 1.00 12.33 O ATOM 770 OD2 ASP A 50 -1.536 11.892 3.364 1.00 54.45 O ATOM 0 H ASP A 50 -1.031 7.604 4.910 1.00 3.21 H new ATOM 0 HA ASP A 50 -3.162 8.454 3.151 1.00 14.15 H new ATOM 0 HB2 ASP A 50 -2.641 9.635 5.236 1.00 71.10 H new ATOM 0 HB3 ASP A 50 -0.988 9.895 4.715 1.00 71.10 H new ATOM 775 N PRO A 51 -2.028 9.052 1.012 1.00 71.01 N ATOM 776 CA PRO A 51 -1.399 9.240 -0.310 1.00 65.34 C ATOM 777 C PRO A 51 -0.633 10.554 -0.448 1.00 71.44 C ATOM 778 O PRO A 51 0.100 10.742 -1.410 1.00 22.22 O ATOM 779 CB PRO A 51 -2.590 9.234 -1.270 1.00 14.22 C ATOM 780 CG PRO A 51 -3.728 9.686 -0.440 1.00 41.54 C ATOM 781 CD PRO A 51 -3.490 9.104 0.920 1.00 2.35 C ATOM 0 HA PRO A 51 -0.654 8.467 -0.498 1.00 65.34 H new ATOM 0 HB2 PRO A 51 -2.424 9.902 -2.115 1.00 14.22 H new ATOM 0 HB3 PRO A 51 -2.766 8.239 -1.680 1.00 14.22 H new ATOM 0 HG2 PRO A 51 -3.775 10.774 -0.398 1.00 41.54 H new ATOM 0 HG3 PRO A 51 -4.676 9.342 -0.853 1.00 41.54 H new ATOM 0 HD2 PRO A 51 -3.921 9.726 1.705 1.00 2.35 H new ATOM 0 HD3 PRO A 51 -3.935 8.114 1.018 1.00 2.35 H new ATOM 789 N GLN A 52 -0.800 11.459 0.497 1.00 51.14 N ATOM 790 CA GLN A 52 -0.104 12.726 0.434 1.00 41.13 C ATOM 791 C GLN A 52 1.197 12.648 1.212 1.00 20.44 C ATOM 792 O GLN A 52 2.035 13.550 1.139 1.00 33.41 O ATOM 793 CB GLN A 52 -0.987 13.871 0.938 1.00 41.54 C ATOM 794 CG GLN A 52 -2.272 14.050 0.140 1.00 3.20 C ATOM 795 CD GLN A 52 -2.017 14.330 -1.331 1.00 55.33 C ATOM 796 OE1 GLN A 52 -1.931 13.410 -2.153 1.00 64.54 O ATOM 797 NE2 GLN A 52 -1.900 15.582 -1.678 1.00 64.54 N ATOM 0 H GLN A 52 -1.406 11.341 1.309 1.00 51.14 H new ATOM 0 HA GLN A 52 0.132 12.937 -0.609 1.00 41.13 H new ATOM 0 HB2 GLN A 52 -1.241 13.690 1.982 1.00 41.54 H new ATOM 0 HB3 GLN A 52 -0.417 14.799 0.905 1.00 41.54 H new ATOM 0 HG2 GLN A 52 -2.881 13.151 0.234 1.00 3.20 H new ATOM 0 HG3 GLN A 52 -2.848 14.871 0.567 1.00 3.20 H new ATOM 0 HE21 GLN A 52 -1.976 16.316 -0.974 1.00 64.54 H new ATOM 0 HE22 GLN A 52 -1.732 15.827 -2.654 1.00 64.54 H new ATOM 806 N ALA A 53 1.366 11.566 1.952 1.00 11.21 N ATOM 807 CA ALA A 53 2.575 11.334 2.709 1.00 0.15 C ATOM 808 C ALA A 53 3.727 11.071 1.766 1.00 70.01 C ATOM 809 O ALA A 53 3.618 10.274 0.824 1.00 43.34 O ATOM 810 CB ALA A 53 2.389 10.178 3.677 1.00 52.10 C ATOM 0 H ALA A 53 0.668 10.827 2.042 1.00 11.21 H new ATOM 0 HA ALA A 53 2.801 12.224 3.296 1.00 0.15 H new ATOM 0 HB1 ALA A 53 3.311 10.020 4.237 1.00 52.10 H new ATOM 0 HB2 ALA A 53 1.579 10.410 4.369 1.00 52.10 H new ATOM 0 HB3 ALA A 53 2.143 9.274 3.121 1.00 52.10 H new ATOM 816 N THR A 54 4.822 11.738 2.016 1.00 25.15 N ATOM 817 CA THR A 54 6.001 11.672 1.197 1.00 30.24 C ATOM 818 C THR A 54 6.558 10.250 1.138 1.00 63.44 C ATOM 819 O THR A 54 7.026 9.802 0.086 1.00 74.33 O ATOM 820 CB THR A 54 7.063 12.637 1.748 1.00 34.12 C ATOM 821 OG1 THR A 54 6.459 13.928 1.892 1.00 12.01 O ATOM 822 CG2 THR A 54 8.246 12.754 0.797 1.00 42.30 C ATOM 0 H THR A 54 4.920 12.360 2.818 1.00 25.15 H new ATOM 0 HA THR A 54 5.733 11.965 0.182 1.00 30.24 H new ATOM 0 HB THR A 54 7.426 12.258 2.703 1.00 34.12 H new ATOM 0 HG1 THR A 54 7.119 14.561 2.245 1.00 12.01 H new ATOM 0 HG21 THR A 54 8.981 13.443 1.213 1.00 42.30 H new ATOM 0 HG22 THR A 54 8.703 11.774 0.663 1.00 42.30 H new ATOM 0 HG23 THR A 54 7.902 13.129 -0.167 1.00 42.30 H new ATOM 830 N TRP A 55 6.458 9.521 2.243 1.00 33.22 N ATOM 831 CA TRP A 55 7.010 8.174 2.271 1.00 74.41 C ATOM 832 C TRP A 55 6.140 7.232 1.443 1.00 54.30 C ATOM 833 O TRP A 55 6.628 6.270 0.827 1.00 10.13 O ATOM 834 CB TRP A 55 7.182 7.648 3.702 1.00 61.33 C ATOM 835 CG TRP A 55 5.916 7.312 4.426 1.00 24.33 C ATOM 836 CD1 TRP A 55 5.120 8.148 5.101 1.00 63.25 C ATOM 837 CD2 TRP A 55 5.334 6.026 4.549 1.00 41.33 C ATOM 838 NE1 TRP A 55 4.073 7.472 5.651 1.00 53.54 N ATOM 839 CE2 TRP A 55 4.182 6.164 5.320 1.00 23.24 C ATOM 840 CE3 TRP A 55 5.684 4.782 4.079 1.00 14.32 C ATOM 841 CZ2 TRP A 55 3.373 5.101 5.635 1.00 12.30 C ATOM 842 CZ3 TRP A 55 4.875 3.706 4.384 1.00 51.24 C ATOM 843 CH2 TRP A 55 3.729 3.874 5.161 1.00 25.34 C ATOM 0 H TRP A 55 6.013 9.829 3.108 1.00 33.22 H new ATOM 0 HA TRP A 55 8.006 8.215 1.830 1.00 74.41 H new ATOM 0 HB2 TRP A 55 7.808 6.756 3.669 1.00 61.33 H new ATOM 0 HB3 TRP A 55 7.723 8.396 4.282 1.00 61.33 H new ATOM 0 HD1 TRP A 55 5.284 9.211 5.197 1.00 63.25 H new ATOM 0 HE1 TRP A 55 3.331 7.883 6.218 1.00 53.54 H new ATOM 0 HE3 TRP A 55 6.575 4.649 3.483 1.00 14.32 H new ATOM 0 HZ2 TRP A 55 2.486 5.232 6.237 1.00 12.30 H new ATOM 0 HZ3 TRP A 55 5.132 2.723 4.017 1.00 51.24 H new ATOM 0 HH2 TRP A 55 3.113 3.017 5.391 1.00 25.34 H new ATOM 854 N VAL A 56 4.851 7.531 1.425 1.00 44.43 N ATOM 855 CA VAL A 56 3.892 6.777 0.659 1.00 43.23 C ATOM 856 C VAL A 56 4.106 7.033 -0.790 1.00 71.14 C ATOM 857 O VAL A 56 4.296 6.106 -1.548 1.00 1.31 O ATOM 858 CB VAL A 56 2.437 7.118 1.055 1.00 40.42 C ATOM 859 CG1 VAL A 56 1.431 6.453 0.125 1.00 4.32 C ATOM 860 CG2 VAL A 56 2.182 6.698 2.476 1.00 42.14 C ATOM 0 H VAL A 56 4.446 8.309 1.946 1.00 44.43 H new ATOM 0 HA VAL A 56 4.044 5.719 0.874 1.00 43.23 H new ATOM 0 HB VAL A 56 2.309 8.197 0.965 1.00 40.42 H new ATOM 0 HG11 VAL A 56 0.420 6.716 0.435 1.00 4.32 H new ATOM 0 HG12 VAL A 56 1.598 6.795 -0.896 1.00 4.32 H new ATOM 0 HG13 VAL A 56 1.554 5.371 0.170 1.00 4.32 H new ATOM 0 HG21 VAL A 56 1.155 6.941 2.749 1.00 42.14 H new ATOM 0 HG22 VAL A 56 2.338 5.623 2.571 1.00 42.14 H new ATOM 0 HG23 VAL A 56 2.868 7.225 3.140 1.00 42.14 H new ATOM 870 N ARG A 57 4.124 8.305 -1.161 1.00 63.41 N ATOM 871 CA ARG A 57 4.340 8.718 -2.546 1.00 65.13 C ATOM 872 C ARG A 57 5.615 8.125 -3.096 1.00 1.33 C ATOM 873 O ARG A 57 5.699 7.763 -4.261 1.00 73.03 O ATOM 874 CB ARG A 57 4.363 10.228 -2.650 1.00 71.54 C ATOM 875 CG ARG A 57 3.037 10.849 -2.323 1.00 4.04 C ATOM 876 CD ARG A 57 3.080 12.351 -2.408 1.00 44.12 C ATOM 877 NE ARG A 57 3.908 12.960 -1.362 1.00 43.11 N ATOM 878 CZ ARG A 57 4.220 14.261 -1.317 1.00 2.23 C ATOM 879 NH1 ARG A 57 3.800 15.078 -2.274 1.00 71.13 N ATOM 880 NH2 ARG A 57 4.954 14.744 -0.317 1.00 71.32 N ATOM 0 H ARG A 57 3.990 9.082 -0.513 1.00 63.41 H new ATOM 0 HA ARG A 57 3.511 8.343 -3.146 1.00 65.13 H new ATOM 0 HB2 ARG A 57 5.122 10.623 -1.975 1.00 71.54 H new ATOM 0 HB3 ARG A 57 4.655 10.515 -3.660 1.00 71.54 H new ATOM 0 HG2 ARG A 57 2.280 10.469 -3.009 1.00 4.04 H new ATOM 0 HG3 ARG A 57 2.735 10.551 -1.319 1.00 4.04 H new ATOM 0 HD2 ARG A 57 3.465 12.643 -3.385 1.00 44.12 H new ATOM 0 HD3 ARG A 57 2.066 12.743 -2.335 1.00 44.12 H new ATOM 0 HE ARG A 57 4.268 12.355 -0.624 1.00 43.11 H new ATOM 0 HH11 ARG A 57 3.239 14.715 -3.045 1.00 71.13 H new ATOM 0 HH12 ARG A 57 4.038 16.069 -2.239 1.00 71.13 H new ATOM 0 HH21 ARG A 57 5.283 14.122 0.421 1.00 71.32 H new ATOM 0 HH22 ARG A 57 5.188 15.736 -0.289 1.00 71.32 H new ATOM 894 N ASP A 58 6.590 8.027 -2.253 1.00 62.54 N ATOM 895 CA ASP A 58 7.848 7.394 -2.606 1.00 14.51 C ATOM 896 C ASP A 58 7.699 5.898 -2.920 1.00 65.43 C ATOM 897 O ASP A 58 8.197 5.434 -3.942 1.00 74.11 O ATOM 898 CB ASP A 58 8.894 7.583 -1.502 1.00 65.23 C ATOM 899 CG ASP A 58 10.166 6.796 -1.765 1.00 50.21 C ATOM 900 OD1 ASP A 58 11.011 7.247 -2.559 1.00 1.52 O ATOM 901 OD2 ASP A 58 10.330 5.703 -1.188 1.00 43.13 O ATOM 0 H ASP A 58 6.551 8.379 -1.296 1.00 62.54 H new ATOM 0 HA ASP A 58 8.185 7.891 -3.516 1.00 14.51 H new ATOM 0 HB2 ASP A 58 9.137 8.642 -1.414 1.00 65.23 H new ATOM 0 HB3 ASP A 58 8.470 7.273 -0.547 1.00 65.23 H new ATOM 906 N CYS A 59 6.970 5.154 -2.094 1.00 55.25 N ATOM 907 CA CYS A 59 6.953 3.697 -2.269 1.00 74.22 C ATOM 908 C CYS A 59 5.817 3.247 -3.138 1.00 12.05 C ATOM 909 O CYS A 59 5.957 2.295 -3.913 1.00 0.33 O ATOM 910 CB CYS A 59 6.873 2.995 -0.960 1.00 3.13 C ATOM 911 SG CYS A 59 7.492 1.285 -1.023 1.00 10.10 S ATOM 0 H CYS A 59 6.403 5.512 -1.325 1.00 55.25 H new ATOM 0 HA CYS A 59 7.891 3.438 -2.761 1.00 74.22 H new ATOM 0 HB2 CYS A 59 7.445 3.554 -0.220 1.00 3.13 H new ATOM 0 HB3 CYS A 59 5.837 2.987 -0.622 1.00 3.13 H new ATOM 916 N VAL A 60 4.696 3.950 -3.048 1.00 62.22 N ATOM 917 CA VAL A 60 3.530 3.648 -3.851 1.00 64.55 C ATOM 918 C VAL A 60 3.933 3.850 -5.318 1.00 34.11 C ATOM 919 O VAL A 60 3.408 3.241 -6.217 1.00 41.35 O ATOM 920 CB VAL A 60 2.297 4.565 -3.475 1.00 22.55 C ATOM 921 CG1 VAL A 60 2.425 5.957 -4.024 1.00 42.24 C ATOM 922 CG2 VAL A 60 1.003 3.970 -3.911 1.00 15.12 C ATOM 0 H VAL A 60 4.574 4.742 -2.417 1.00 62.22 H new ATOM 0 HA VAL A 60 3.208 2.623 -3.669 1.00 64.55 H new ATOM 0 HB VAL A 60 2.302 4.628 -2.387 1.00 22.55 H new ATOM 0 HG11 VAL A 60 1.552 6.543 -3.736 1.00 42.24 H new ATOM 0 HG12 VAL A 60 3.324 6.425 -3.624 1.00 42.24 H new ATOM 0 HG13 VAL A 60 2.491 5.915 -5.111 1.00 42.24 H new ATOM 0 HG21 VAL A 60 0.185 4.634 -3.632 1.00 15.12 H new ATOM 0 HG22 VAL A 60 1.010 3.837 -4.993 1.00 15.12 H new ATOM 0 HG23 VAL A 60 0.866 3.003 -3.428 1.00 15.12 H new ATOM 932 N ARG A 61 4.926 4.707 -5.508 1.00 63.02 N ATOM 933 CA ARG A 61 5.428 4.990 -6.840 1.00 50.04 C ATOM 934 C ARG A 61 6.638 4.149 -7.175 1.00 1.14 C ATOM 935 O ARG A 61 6.904 3.884 -8.335 1.00 72.14 O ATOM 936 CB ARG A 61 5.651 6.470 -7.101 1.00 55.31 C ATOM 937 CG ARG A 61 4.351 7.256 -7.194 1.00 2.52 C ATOM 938 CD ARG A 61 4.588 8.726 -7.496 1.00 32.30 C ATOM 939 NE ARG A 61 5.392 8.915 -8.710 1.00 21.40 N ATOM 940 CZ ARG A 61 4.960 9.445 -9.861 1.00 62.33 C ATOM 941 NH1 ARG A 61 3.663 9.689 -10.050 1.00 44.31 N ATOM 942 NH2 ARG A 61 5.831 9.684 -10.842 1.00 5.03 N ATOM 0 H ARG A 61 5.396 5.215 -4.759 1.00 63.02 H new ATOM 0 HA ARG A 61 4.637 4.697 -7.530 1.00 50.04 H new ATOM 0 HB2 ARG A 61 6.265 6.886 -6.303 1.00 55.31 H new ATOM 0 HB3 ARG A 61 6.210 6.590 -8.029 1.00 55.31 H new ATOM 0 HG2 ARG A 61 3.722 6.824 -7.973 1.00 2.52 H new ATOM 0 HG3 ARG A 61 3.805 7.163 -6.255 1.00 2.52 H new ATOM 0 HD2 ARG A 61 3.629 9.231 -7.614 1.00 32.30 H new ATOM 0 HD3 ARG A 61 5.093 9.193 -6.650 1.00 32.30 H new ATOM 0 HE ARG A 61 6.366 8.616 -8.673 1.00 21.40 H new ATOM 0 HH11 ARG A 61 2.991 9.472 -9.314 1.00 44.31 H new ATOM 0 HH12 ARG A 61 3.343 10.093 -10.930 1.00 44.31 H new ATOM 0 HH21 ARG A 61 6.818 9.463 -10.712 1.00 5.03 H new ATOM 0 HH22 ARG A 61 5.510 10.088 -11.722 1.00 5.03 H new ATOM 956 N SER A 62 7.373 3.750 -6.163 1.00 33.44 N ATOM 957 CA SER A 62 8.507 2.874 -6.338 1.00 21.30 C ATOM 958 C SER A 62 8.008 1.512 -6.866 1.00 61.23 C ATOM 959 O SER A 62 8.592 0.932 -7.784 1.00 3.42 O ATOM 960 CB SER A 62 9.231 2.706 -4.998 1.00 74.30 C ATOM 961 OG SER A 62 10.457 2.014 -5.128 1.00 41.42 O ATOM 0 H SER A 62 7.201 4.024 -5.196 1.00 33.44 H new ATOM 0 HA SER A 62 9.207 3.298 -7.058 1.00 21.30 H new ATOM 0 HB2 SER A 62 9.416 3.688 -4.563 1.00 74.30 H new ATOM 0 HB3 SER A 62 8.585 2.167 -4.305 1.00 74.30 H new ATOM 0 HG SER A 62 10.882 1.933 -4.249 1.00 41.42 H new ATOM 967 N MET A 63 6.898 1.030 -6.305 1.00 0.31 N ATOM 968 CA MET A 63 6.296 -0.223 -6.760 1.00 43.51 C ATOM 969 C MET A 63 5.646 -0.025 -8.119 1.00 43.54 C ATOM 970 O MET A 63 5.649 -0.924 -8.965 1.00 31.35 O ATOM 971 CB MET A 63 5.287 -0.769 -5.741 1.00 40.43 C ATOM 972 CG MET A 63 5.908 -1.136 -4.404 1.00 21.40 C ATOM 973 SD MET A 63 7.209 -2.370 -4.576 1.00 61.15 S ATOM 974 CE MET A 63 7.733 -2.554 -2.873 1.00 50.25 C ATOM 0 H MET A 63 6.401 1.485 -5.540 1.00 0.31 H new ATOM 0 HA MET A 63 7.088 -0.965 -6.855 1.00 43.51 H new ATOM 0 HB2 MET A 63 4.509 -0.023 -5.578 1.00 40.43 H new ATOM 0 HB3 MET A 63 4.801 -1.650 -6.160 1.00 40.43 H new ATOM 0 HG2 MET A 63 6.318 -0.240 -3.937 1.00 21.40 H new ATOM 0 HG3 MET A 63 5.134 -1.517 -3.738 1.00 21.40 H new ATOM 0 HE1 MET A 63 8.692 -3.070 -2.841 1.00 50.25 H new ATOM 0 HE2 MET A 63 7.835 -1.570 -2.415 1.00 50.25 H new ATOM 0 HE3 MET A 63 6.991 -3.134 -2.324 1.00 50.25 H new ATOM 984 N ASP A 64 5.124 1.177 -8.335 1.00 24.31 N ATOM 985 CA ASP A 64 4.538 1.572 -9.625 1.00 42.12 C ATOM 986 C ASP A 64 5.626 1.614 -10.686 1.00 55.11 C ATOM 987 O ASP A 64 5.381 1.414 -11.856 1.00 22.21 O ATOM 988 CB ASP A 64 3.868 2.960 -9.511 1.00 73.43 C ATOM 989 CG ASP A 64 3.251 3.460 -10.815 1.00 75.45 C ATOM 990 OD1 ASP A 64 2.053 3.173 -11.080 1.00 0.42 O ATOM 991 OD2 ASP A 64 3.948 4.159 -11.585 1.00 21.14 O ATOM 0 H ASP A 64 5.092 1.910 -7.626 1.00 24.31 H new ATOM 0 HA ASP A 64 3.781 0.840 -9.906 1.00 42.12 H new ATOM 0 HB2 ASP A 64 3.092 2.916 -8.747 1.00 73.43 H new ATOM 0 HB3 ASP A 64 4.609 3.683 -9.171 1.00 73.43 H new ATOM 996 N ARG A 65 6.841 1.875 -10.251 1.00 61.10 N ATOM 997 CA ARG A 65 7.966 1.965 -11.144 1.00 31.35 C ATOM 998 C ARG A 65 8.407 0.554 -11.574 1.00 14.12 C ATOM 999 O ARG A 65 8.928 0.369 -12.673 1.00 63.31 O ATOM 1000 CB ARG A 65 9.138 2.681 -10.462 1.00 54.43 C ATOM 1001 CG ARG A 65 9.940 3.561 -11.405 1.00 33.34 C ATOM 1002 CD ARG A 65 9.265 4.937 -11.613 1.00 15.42 C ATOM 1003 NE ARG A 65 7.811 4.869 -11.922 1.00 12.33 N ATOM 1004 CZ ARG A 65 7.137 5.761 -12.661 1.00 54.21 C ATOM 1005 NH1 ARG A 65 7.784 6.746 -13.276 1.00 21.11 N ATOM 1006 NH2 ARG A 65 5.818 5.668 -12.776 1.00 43.32 N ATOM 0 H ARG A 65 7.071 2.030 -9.269 1.00 61.10 H new ATOM 0 HA ARG A 65 7.665 2.537 -12.022 1.00 31.35 H new ATOM 0 HB2 ARG A 65 8.755 3.292 -9.645 1.00 54.43 H new ATOM 0 HB3 ARG A 65 9.801 1.937 -10.020 1.00 54.43 H new ATOM 0 HG2 ARG A 65 10.944 3.704 -11.004 1.00 33.34 H new ATOM 0 HG3 ARG A 65 10.049 3.060 -12.367 1.00 33.34 H new ATOM 0 HD2 ARG A 65 9.405 5.536 -10.713 1.00 15.42 H new ATOM 0 HD3 ARG A 65 9.772 5.458 -12.425 1.00 15.42 H new ATOM 0 HE ARG A 65 7.286 4.082 -11.541 1.00 12.33 H new ATOM 0 HH11 ARG A 65 8.797 6.825 -13.186 1.00 21.11 H new ATOM 0 HH12 ARG A 65 7.267 7.423 -13.838 1.00 21.11 H new ATOM 0 HH21 ARG A 65 5.316 4.917 -12.302 1.00 43.32 H new ATOM 0 HH22 ARG A 65 5.306 6.347 -13.339 1.00 43.32 H new ATOM 1020 N LYS A 66 8.186 -0.428 -10.688 1.00 41.43 N ATOM 1021 CA LYS A 66 8.541 -1.833 -10.960 1.00 44.13 C ATOM 1022 C LYS A 66 7.692 -2.389 -12.089 1.00 60.33 C ATOM 1023 O LYS A 66 8.139 -3.236 -12.869 1.00 54.13 O ATOM 1024 CB LYS A 66 8.375 -2.705 -9.705 1.00 75.21 C ATOM 1025 CG LYS A 66 9.285 -2.336 -8.536 1.00 51.45 C ATOM 1026 CD LYS A 66 10.751 -2.452 -8.918 1.00 62.30 C ATOM 1027 CE LYS A 66 11.677 -2.158 -7.745 1.00 33.05 C ATOM 1028 NZ LYS A 66 11.535 -3.140 -6.649 1.00 55.20 N ATOM 0 H LYS A 66 7.762 -0.276 -9.773 1.00 41.43 H new ATOM 0 HA LYS A 66 9.590 -1.855 -11.257 1.00 44.13 H new ATOM 0 HB2 LYS A 66 7.339 -2.643 -9.373 1.00 75.21 H new ATOM 0 HB3 LYS A 66 8.561 -3.744 -9.976 1.00 75.21 H new ATOM 0 HG2 LYS A 66 9.071 -1.317 -8.213 1.00 51.45 H new ATOM 0 HG3 LYS A 66 9.075 -2.989 -7.689 1.00 51.45 H new ATOM 0 HD2 LYS A 66 10.949 -3.457 -9.292 1.00 62.30 H new ATOM 0 HD3 LYS A 66 10.968 -1.761 -9.732 1.00 62.30 H new ATOM 0 HE2 LYS A 66 12.710 -2.155 -8.094 1.00 33.05 H new ATOM 0 HE3 LYS A 66 11.467 -1.159 -7.362 1.00 33.05 H new ATOM 0 HZ1 LYS A 66 12.307 -3.010 -5.964 1.00 55.20 H new ATOM 0 HZ2 LYS A 66 10.621 -2.999 -6.173 1.00 55.20 H new ATOM 0 HZ3 LYS A 66 11.577 -4.103 -7.038 1.00 55.20 H new ATOM 1042 N SER A 67 6.480 -1.927 -12.165 1.00 61.12 N ATOM 1043 CA SER A 67 5.598 -2.288 -13.223 1.00 41.31 C ATOM 1044 C SER A 67 4.904 -1.022 -13.687 1.00 2.31 C ATOM 1045 O SER A 67 3.826 -0.660 -13.200 1.00 54.11 O ATOM 1046 CB SER A 67 4.590 -3.370 -12.763 1.00 0.23 C ATOM 1047 OG SER A 67 3.754 -3.815 -13.829 1.00 40.41 O ATOM 0 H SER A 67 6.076 -1.283 -11.485 1.00 61.12 H new ATOM 0 HA SER A 67 6.151 -2.728 -14.053 1.00 41.31 H new ATOM 0 HB2 SER A 67 5.134 -4.220 -12.351 1.00 0.23 H new ATOM 0 HB3 SER A 67 3.971 -2.969 -11.961 1.00 0.23 H new ATOM 0 HG SER A 67 3.135 -4.498 -13.496 1.00 40.41 H new ATOM 1053 N ASN A 68 5.571 -0.296 -14.562 1.00 74.55 N ATOM 1054 CA ASN A 68 5.060 0.971 -15.028 1.00 12.11 C ATOM 1055 C ASN A 68 4.156 0.771 -16.213 1.00 61.42 C ATOM 1056 O ASN A 68 4.608 0.660 -17.357 1.00 21.23 O ATOM 1057 CB ASN A 68 6.197 1.955 -15.359 1.00 21.13 C ATOM 1058 CG ASN A 68 5.692 3.322 -15.817 1.00 4.31 C ATOM 1059 OD1 ASN A 68 4.622 3.777 -15.415 1.00 24.00 O ATOM 1060 ND2 ASN A 68 6.447 3.974 -16.662 1.00 52.54 N ATOM 0 H ASN A 68 6.469 -0.565 -14.963 1.00 74.55 H new ATOM 0 HA ASN A 68 4.476 1.412 -14.220 1.00 12.11 H new ATOM 0 HB2 ASN A 68 6.826 2.083 -14.478 1.00 21.13 H new ATOM 0 HB3 ASN A 68 6.825 1.526 -16.140 1.00 21.13 H new ATOM 0 HD21 ASN A 68 6.154 4.888 -17.007 1.00 52.54 H new ATOM 0 HD22 ASN A 68 7.329 3.569 -16.976 1.00 52.54 H new ATOM 1067 N THR A 69 2.897 0.666 -15.929 1.00 25.25 N ATOM 1068 CA THR A 69 1.898 0.512 -16.921 1.00 23.41 C ATOM 1069 C THR A 69 0.538 0.919 -16.367 1.00 22.50 C ATOM 1070 O THR A 69 -0.214 0.112 -15.807 1.00 63.53 O ATOM 1071 CB THR A 69 1.892 -0.906 -17.566 1.00 5.42 C ATOM 1072 OG1 THR A 69 0.832 -1.040 -18.534 1.00 24.42 O ATOM 1073 CG2 THR A 69 1.800 -1.991 -16.521 1.00 10.25 C ATOM 0 H THR A 69 2.533 0.686 -14.976 1.00 25.25 H new ATOM 0 HA THR A 69 2.139 1.187 -17.742 1.00 23.41 H new ATOM 0 HB THR A 69 2.842 -1.024 -18.088 1.00 5.42 H new ATOM 0 HG1 THR A 69 0.855 -1.940 -18.922 1.00 24.42 H new ATOM 0 HG21 THR A 69 1.798 -2.966 -17.008 1.00 10.25 H new ATOM 0 HG22 THR A 69 2.656 -1.922 -15.849 1.00 10.25 H new ATOM 0 HG23 THR A 69 0.880 -1.869 -15.950 1.00 10.25 H new ATOM 1081 N ARG A 70 0.262 2.192 -16.445 1.00 44.00 N ATOM 1082 CA ARG A 70 -0.980 2.709 -15.954 1.00 11.13 C ATOM 1083 C ARG A 70 -2.086 2.449 -16.962 1.00 71.24 C ATOM 1084 O ARG A 70 -2.087 3.008 -18.062 1.00 21.20 O ATOM 1085 CB ARG A 70 -0.866 4.205 -15.579 1.00 71.43 C ATOM 1086 CG ARG A 70 -0.439 5.134 -16.716 1.00 63.54 C ATOM 1087 CD ARG A 70 -0.311 6.571 -16.243 1.00 44.44 C ATOM 1088 NE ARG A 70 0.701 6.724 -15.188 1.00 23.41 N ATOM 1089 CZ ARG A 70 0.874 7.827 -14.450 1.00 32.15 C ATOM 1090 NH1 ARG A 70 0.089 8.885 -14.638 1.00 41.34 N ATOM 1091 NH2 ARG A 70 1.838 7.867 -13.533 1.00 52.31 N ATOM 0 H ARG A 70 0.886 2.892 -16.847 1.00 44.00 H new ATOM 0 HA ARG A 70 -1.236 2.185 -15.033 1.00 11.13 H new ATOM 0 HB2 ARG A 70 -1.831 4.542 -15.200 1.00 71.43 H new ATOM 0 HB3 ARG A 70 -0.150 4.304 -14.763 1.00 71.43 H new ATOM 0 HG2 ARG A 70 0.515 4.798 -17.123 1.00 63.54 H new ATOM 0 HG3 ARG A 70 -1.168 5.080 -17.525 1.00 63.54 H new ATOM 0 HD2 ARG A 70 -0.050 7.207 -17.089 1.00 44.44 H new ATOM 0 HD3 ARG A 70 -1.276 6.916 -15.871 1.00 44.44 H new ATOM 0 HE ARG A 70 1.316 5.931 -15.005 1.00 23.41 H new ATOM 0 HH11 ARG A 70 -0.646 8.856 -15.345 1.00 41.34 H new ATOM 0 HH12 ARG A 70 0.222 9.725 -14.075 1.00 41.34 H new ATOM 0 HH21 ARG A 70 2.443 7.058 -13.394 1.00 52.31 H new ATOM 0 HH22 ARG A 70 1.971 8.707 -12.970 1.00 52.31 H new ATOM 1105 N ASN A 71 -2.988 1.563 -16.609 1.00 73.10 N ATOM 1106 CA ASN A 71 -4.115 1.245 -17.468 1.00 74.30 C ATOM 1107 C ASN A 71 -5.046 2.421 -17.453 1.00 23.31 C ATOM 1108 O ASN A 71 -5.226 3.102 -18.465 1.00 45.35 O ATOM 1109 CB ASN A 71 -4.850 -0.031 -16.998 1.00 73.12 C ATOM 1110 CG ASN A 71 -3.965 -1.271 -16.970 1.00 52.33 C ATOM 1111 OD1 ASN A 71 -3.838 -1.991 -17.964 1.00 33.45 O ATOM 1112 ND2 ASN A 71 -3.370 -1.546 -15.832 1.00 34.44 N ATOM 0 H ASN A 71 -2.967 1.046 -15.730 1.00 73.10 H new ATOM 0 HA ASN A 71 -3.758 1.047 -18.479 1.00 74.30 H new ATOM 0 HB2 ASN A 71 -5.254 0.139 -16.000 1.00 73.12 H new ATOM 0 HB3 ASN A 71 -5.698 -0.215 -17.658 1.00 73.12 H new ATOM 0 HD21 ASN A 71 -2.782 -2.376 -15.751 1.00 34.44 H new ATOM 0 HD22 ASN A 71 -3.496 -0.930 -15.029 1.00 34.44 H new ATOM 1119 N ASN A 72 -5.596 2.682 -16.289 1.00 14.44 N ATOM 1120 CA ASN A 72 -6.450 3.823 -16.062 1.00 3.14 C ATOM 1121 C ASN A 72 -6.643 3.984 -14.580 1.00 3.12 C ATOM 1122 O ASN A 72 -6.577 3.000 -13.835 1.00 44.41 O ATOM 1123 CB ASN A 72 -7.833 3.696 -16.761 1.00 25.24 C ATOM 1124 CG ASN A 72 -8.741 2.593 -16.208 1.00 3.40 C ATOM 1125 OD1 ASN A 72 -8.284 1.545 -15.732 1.00 42.53 O ATOM 1126 ND2 ASN A 72 -10.027 2.824 -16.268 1.00 60.30 N ATOM 0 H ASN A 72 -5.460 2.099 -15.463 1.00 14.44 H new ATOM 0 HA ASN A 72 -5.963 4.697 -16.495 1.00 3.14 H new ATOM 0 HB2 ASN A 72 -8.354 4.650 -16.678 1.00 25.24 H new ATOM 0 HB3 ASN A 72 -7.671 3.513 -17.823 1.00 25.24 H new ATOM 0 HD21 ASN A 72 -10.687 2.130 -15.916 1.00 60.30 H new ATOM 0 HD22 ASN A 72 -10.370 3.698 -16.666 1.00 60.30 H new ATOM 1133 N MET A 73 -6.832 5.194 -14.137 1.00 32.15 N ATOM 1134 CA MET A 73 -7.117 5.423 -12.744 1.00 10.30 C ATOM 1135 C MET A 73 -8.620 5.417 -12.589 1.00 23.24 C ATOM 1136 O MET A 73 -9.300 6.327 -13.079 1.00 51.53 O ATOM 1137 CB MET A 73 -6.513 6.745 -12.259 1.00 72.23 C ATOM 1138 CG MET A 73 -6.721 7.027 -10.771 1.00 14.24 C ATOM 1139 SD MET A 73 -5.982 8.593 -10.242 1.00 30.21 S ATOM 1140 CE MET A 73 -6.903 9.772 -11.237 1.00 73.14 C ATOM 0 H MET A 73 -6.795 6.035 -14.714 1.00 32.15 H new ATOM 0 HA MET A 73 -6.667 4.641 -12.132 1.00 10.30 H new ATOM 0 HB2 MET A 73 -5.443 6.740 -12.469 1.00 72.23 H new ATOM 0 HB3 MET A 73 -6.948 7.562 -12.835 1.00 72.23 H new ATOM 0 HG2 MET A 73 -7.789 7.044 -10.555 1.00 14.24 H new ATOM 0 HG3 MET A 73 -6.291 6.213 -10.188 1.00 14.24 H new ATOM 0 HE1 MET A 73 -7.102 10.668 -10.649 1.00 73.14 H new ATOM 0 HE2 MET A 73 -6.319 10.039 -12.118 1.00 73.14 H new ATOM 0 HE3 MET A 73 -7.847 9.326 -11.549 1.00 73.14 H new ATOM 1150 N ILE A 74 -9.138 4.378 -11.958 1.00 54.43 N ATOM 1151 CA ILE A 74 -10.572 4.176 -11.831 1.00 64.05 C ATOM 1152 C ILE A 74 -11.245 5.289 -11.039 1.00 64.43 C ATOM 1153 O ILE A 74 -10.958 5.510 -9.862 1.00 33.35 O ATOM 1154 CB ILE A 74 -10.941 2.768 -11.257 1.00 1.25 C ATOM 1155 CG1 ILE A 74 -10.336 2.545 -9.856 1.00 23.51 C ATOM 1156 CG2 ILE A 74 -10.472 1.674 -12.217 1.00 72.51 C ATOM 1157 CD1 ILE A 74 -10.710 1.220 -9.225 1.00 35.02 C ATOM 0 H ILE A 74 -8.576 3.649 -11.518 1.00 54.43 H new ATOM 0 HA ILE A 74 -10.964 4.214 -12.847 1.00 64.05 H new ATOM 0 HB ILE A 74 -12.025 2.722 -11.157 1.00 1.25 H new ATOM 0 HG12 ILE A 74 -9.250 2.608 -9.927 1.00 23.51 H new ATOM 0 HG13 ILE A 74 -10.660 3.352 -9.199 1.00 23.51 H new ATOM 0 HG21 ILE A 74 -10.733 0.697 -11.810 1.00 72.51 H new ATOM 0 HG22 ILE A 74 -10.958 1.806 -13.184 1.00 72.51 H new ATOM 0 HG23 ILE A 74 -9.391 1.738 -12.342 1.00 72.51 H new ATOM 0 HD11 ILE A 74 -10.245 1.141 -8.242 1.00 35.02 H new ATOM 0 HD12 ILE A 74 -11.793 1.160 -9.120 1.00 35.02 H new ATOM 0 HD13 ILE A 74 -10.361 0.404 -9.858 1.00 35.02 H new ATOM 1169 N GLN A 75 -12.098 6.011 -11.711 1.00 23.12 N ATOM 1170 CA GLN A 75 -12.828 7.106 -11.120 1.00 72.52 C ATOM 1171 C GLN A 75 -14.309 6.824 -11.273 1.00 54.21 C ATOM 1172 O GLN A 75 -14.911 7.253 -12.279 1.00 37.86 O ATOM 1173 CB GLN A 75 -12.468 8.434 -11.819 1.00 24.31 C ATOM 1174 CG GLN A 75 -10.989 8.811 -11.770 1.00 25.13 C ATOM 1175 CD GLN A 75 -10.466 9.123 -10.374 1.00 1.41 C ATOM 1176 OE1 GLN A 75 -10.489 10.276 -9.932 1.00 12.31 O ATOM 1177 NE2 GLN A 75 -10.016 8.122 -9.673 1.00 54.35 N ATOM 0 H GLN A 75 -12.311 5.856 -12.697 1.00 23.12 H new ATOM 0 HA GLN A 75 -12.568 7.199 -10.066 1.00 72.52 H new ATOM 0 HB2 GLN A 75 -12.777 8.373 -12.862 1.00 24.31 H new ATOM 0 HB3 GLN A 75 -13.047 9.236 -11.361 1.00 24.31 H new ATOM 0 HG2 GLN A 75 -10.404 7.993 -12.190 1.00 25.13 H new ATOM 0 HG3 GLN A 75 -10.826 9.679 -12.408 1.00 25.13 H new ATOM 0 HE21 GLN A 75 -10.012 7.182 -10.070 1.00 54.35 H new ATOM 0 HE22 GLN A 75 -9.668 8.278 -8.727 1.00 54.35 H new TER 1186 GLN A 75