USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 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+ -153:sc= 0.13 (180deg=-0.757) USER MOD Set 1.2: A 64 TYR OH : rot -3:sc= 0.929 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.611 (180deg=-0.893) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.095 (180deg=-0.0174) USER MOD Single : A 2 THR OG1 : rot 134:sc= 1.82 USER MOD Single : A 6 SER OG : rot 3:sc= -0.783 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 30:sc= -0.534 USER MOD Single : A 36 SER OG : rot 45:sc= 0.283 USER MOD Single : A 37 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.026) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 GLN : amide:sc= -0.109 K(o=-0.11,f=-6.1!) USER MOD Single : A 54 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 95:sc= -3.08 USER MOD Single : A 70 GLN : amide:sc= -0.357 K(o=-0.36,f=-3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -160:sc= -0.978 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.044 7.315 9.448 1.00 2.41 N ATOM 2 CA MET A 1 -6.327 6.597 8.359 1.00 44.53 C ATOM 3 C MET A 1 -5.363 5.537 8.934 1.00 21.13 C ATOM 4 O MET A 1 -5.192 5.424 10.149 1.00 64.22 O ATOM 5 CB MET A 1 -5.540 7.601 7.465 1.00 3.51 C ATOM 6 CG MET A 1 -6.412 8.652 6.775 1.00 51.45 C ATOM 7 SD MET A 1 -7.709 7.901 5.768 1.00 40.40 S ATOM 8 CE MET A 1 -8.577 9.362 5.196 1.00 4.15 C ATOM 0 H1 MET A 1 -8.070 7.244 9.294 1.00 2.41 H new ATOM 0 H2 MET A 1 -6.801 6.887 10.364 1.00 2.41 H new ATOM 0 H3 MET A 1 -6.762 8.316 9.448 1.00 2.41 H new ATOM 0 HA MET A 1 -7.074 6.090 7.748 1.00 44.53 H new ATOM 0 HB2 MET A 1 -4.797 8.110 8.079 1.00 3.51 H new ATOM 0 HB3 MET A 1 -4.996 7.042 6.704 1.00 3.51 H new ATOM 0 HG2 MET A 1 -6.865 9.297 7.527 1.00 51.45 H new ATOM 0 HG3 MET A 1 -5.787 9.286 6.146 1.00 51.45 H new ATOM 0 HE1 MET A 1 -9.613 9.106 4.972 1.00 4.15 H new ATOM 0 HE2 MET A 1 -8.552 10.127 5.972 1.00 4.15 H new ATOM 0 HE3 MET A 1 -8.095 9.742 4.295 1.00 4.15 H new ATOM 18 N THR A 2 -4.771 4.747 8.037 1.00 3.30 N ATOM 19 CA THR A 2 -3.684 3.791 8.352 1.00 30.44 C ATOM 20 C THR A 2 -2.304 4.470 8.131 1.00 10.13 C ATOM 21 O THR A 2 -2.137 5.233 7.181 1.00 30.51 O ATOM 22 CB THR A 2 -3.796 2.529 7.428 1.00 63.01 C ATOM 23 OG1 THR A 2 -4.101 2.955 6.097 1.00 21.41 O ATOM 24 CG2 THR A 2 -4.869 1.518 7.865 1.00 14.44 C ATOM 0 H THR A 2 -5.031 4.746 7.051 1.00 3.30 H new ATOM 0 HA THR A 2 -3.776 3.485 9.394 1.00 30.44 H new ATOM 0 HB THR A 2 -2.835 2.019 7.493 1.00 63.01 H new ATOM 0 HG1 THR A 2 -3.517 2.490 5.463 1.00 21.41 H new ATOM 0 HG21 THR A 2 -4.880 0.677 7.172 1.00 14.44 H new ATOM 0 HG22 THR A 2 -4.643 1.159 8.869 1.00 14.44 H new ATOM 0 HG23 THR A 2 -5.846 2.001 7.864 1.00 14.44 H new ATOM 32 N ARG A 3 -1.322 4.195 9.015 1.00 43.33 N ATOM 33 CA ARG A 3 0.054 4.771 8.924 1.00 35.34 C ATOM 34 C ARG A 3 1.117 3.657 9.099 1.00 0.24 C ATOM 35 O ARG A 3 1.197 3.033 10.162 1.00 64.41 O ATOM 36 CB ARG A 3 0.272 5.862 10.011 1.00 64.34 C ATOM 37 CG ARG A 3 -0.713 7.053 9.966 1.00 44.31 C ATOM 38 CD ARG A 3 -0.453 8.060 11.103 1.00 50.44 C ATOM 39 NE ARG A 3 -0.497 7.405 12.433 1.00 31.25 N ATOM 40 CZ ARG A 3 0.310 7.649 13.446 1.00 2.52 C ATOM 41 NH1 ARG A 3 1.252 8.535 13.366 1.00 74.32 N ATOM 42 NH2 ARG A 3 0.180 6.983 14.543 1.00 61.13 N ATOM 0 H ARG A 3 -1.451 3.571 9.812 1.00 43.33 H new ATOM 0 HA ARG A 3 0.161 5.226 7.939 1.00 35.34 H new ATOM 0 HB2 ARG A 3 0.202 5.392 10.992 1.00 64.34 H new ATOM 0 HB3 ARG A 3 1.287 6.248 9.915 1.00 64.34 H new ATOM 0 HG2 ARG A 3 -0.625 7.560 9.005 1.00 44.31 H new ATOM 0 HG3 ARG A 3 -1.735 6.681 10.038 1.00 44.31 H new ATOM 0 HD2 ARG A 3 0.521 8.528 10.959 1.00 50.44 H new ATOM 0 HD3 ARG A 3 -1.198 8.855 11.063 1.00 50.44 H new ATOM 0 HE ARG A 3 -1.220 6.700 12.577 1.00 31.25 H new ATOM 0 HH11 ARG A 3 1.383 9.064 12.504 1.00 74.32 H new ATOM 0 HH12 ARG A 3 1.863 8.704 14.165 1.00 74.32 H new ATOM 0 HH21 ARG A 3 -0.545 6.270 14.624 1.00 61.13 H new ATOM 0 HH22 ARG A 3 0.803 7.169 15.329 1.00 61.13 H new ATOM 56 N VAL A 4 1.932 3.419 8.048 1.00 51.13 N ATOM 57 CA VAL A 4 2.965 2.340 8.026 1.00 73.12 C ATOM 58 C VAL A 4 4.351 2.906 7.571 1.00 54.03 C ATOM 59 O VAL A 4 4.415 3.846 6.773 1.00 54.41 O ATOM 60 CB VAL A 4 2.517 1.150 7.080 1.00 61.32 C ATOM 61 CG1 VAL A 4 3.588 0.021 6.997 1.00 11.52 C ATOM 62 CG2 VAL A 4 1.137 0.560 7.510 1.00 52.43 C ATOM 0 H VAL A 4 1.899 3.965 7.187 1.00 51.13 H new ATOM 0 HA VAL A 4 3.068 1.953 9.040 1.00 73.12 H new ATOM 0 HB VAL A 4 2.412 1.578 6.083 1.00 61.32 H new ATOM 0 HG11 VAL A 4 3.232 -0.770 6.337 1.00 11.52 H new ATOM 0 HG12 VAL A 4 4.519 0.431 6.604 1.00 11.52 H new ATOM 0 HG13 VAL A 4 3.763 -0.388 7.992 1.00 11.52 H new ATOM 0 HG21 VAL A 4 0.864 -0.253 6.838 1.00 52.43 H new ATOM 0 HG22 VAL A 4 1.205 0.181 8.530 1.00 52.43 H new ATOM 0 HG23 VAL A 4 0.377 1.340 7.463 1.00 52.43 H new ATOM 72 N ARG A 5 5.451 2.328 8.110 1.00 14.52 N ATOM 73 CA ARG A 5 6.852 2.739 7.802 1.00 71.02 C ATOM 74 C ARG A 5 7.708 1.559 7.289 1.00 3.51 C ATOM 75 O ARG A 5 7.515 0.411 7.694 1.00 64.43 O ATOM 76 CB ARG A 5 7.533 3.366 9.062 1.00 5.33 C ATOM 77 CG ARG A 5 7.058 4.793 9.388 1.00 4.01 C ATOM 78 CD ARG A 5 7.794 5.424 10.586 1.00 64.11 C ATOM 79 NE ARG A 5 7.583 6.884 10.636 1.00 71.32 N ATOM 80 CZ ARG A 5 7.154 7.576 11.668 1.00 73.04 C ATOM 81 NH1 ARG A 5 6.775 7.002 12.770 1.00 74.24 N ATOM 82 NH2 ARG A 5 7.096 8.861 11.579 1.00 22.33 N ATOM 0 H ARG A 5 5.396 1.557 8.776 1.00 14.52 H new ATOM 0 HA ARG A 5 6.793 3.483 7.008 1.00 71.02 H new ATOM 0 HB2 ARG A 5 7.341 2.725 9.922 1.00 5.33 H new ATOM 0 HB3 ARG A 5 8.612 3.380 8.910 1.00 5.33 H new ATOM 0 HG2 ARG A 5 7.199 5.424 8.511 1.00 4.01 H new ATOM 0 HG3 ARG A 5 5.989 4.773 9.598 1.00 4.01 H new ATOM 0 HD2 ARG A 5 7.440 4.971 11.512 1.00 64.11 H new ATOM 0 HD3 ARG A 5 8.860 5.211 10.514 1.00 64.11 H new ATOM 0 HE ARG A 5 7.791 7.408 9.786 1.00 71.32 H new ATOM 0 HH11 ARG A 5 6.805 5.986 12.852 1.00 74.24 H new ATOM 0 HH12 ARG A 5 6.447 7.568 13.553 1.00 74.24 H new ATOM 0 HH21 ARG A 5 7.381 9.326 10.717 1.00 22.33 H new ATOM 0 HH22 ARG A 5 6.765 9.413 12.371 1.00 22.33 H new ATOM 96 N SER A 6 8.654 1.879 6.384 1.00 63.31 N ATOM 97 CA SER A 6 9.711 0.944 5.908 1.00 14.34 C ATOM 98 C SER A 6 11.053 1.693 5.737 1.00 73.30 C ATOM 99 O SER A 6 11.086 2.925 5.703 1.00 73.11 O ATOM 100 CB SER A 6 9.298 0.279 4.570 1.00 74.25 C ATOM 101 OG SER A 6 8.194 -0.596 4.746 1.00 0.15 O ATOM 0 H SER A 6 8.712 2.802 5.954 1.00 63.31 H new ATOM 0 HA SER A 6 9.835 0.162 6.657 1.00 14.34 H new ATOM 0 HB2 SER A 6 9.041 1.049 3.843 1.00 74.25 H new ATOM 0 HB3 SER A 6 10.143 -0.276 4.162 1.00 74.25 H new ATOM 0 HG SER A 6 7.895 -0.562 5.679 1.00 0.15 H new ATOM 107 N THR A 7 12.161 0.939 5.647 1.00 4.14 N ATOM 108 CA THR A 7 13.515 1.503 5.400 1.00 43.34 C ATOM 109 C THR A 7 13.870 1.505 3.885 1.00 32.54 C ATOM 110 O THR A 7 13.473 0.589 3.144 1.00 2.05 O ATOM 111 CB THR A 7 14.622 0.732 6.221 1.00 60.40 C ATOM 112 OG1 THR A 7 14.290 -0.667 6.321 1.00 72.23 O ATOM 113 CG2 THR A 7 14.828 1.338 7.624 1.00 40.11 C ATOM 0 H THR A 7 12.153 -0.077 5.742 1.00 4.14 H new ATOM 0 HA THR A 7 13.493 2.537 5.744 1.00 43.34 H new ATOM 0 HB THR A 7 15.562 0.837 5.680 1.00 60.40 H new ATOM 0 HG1 THR A 7 14.986 -1.133 6.831 1.00 72.23 H new ATOM 0 HG21 THR A 7 15.598 0.777 8.153 1.00 40.11 H new ATOM 0 HG22 THR A 7 15.138 2.379 7.529 1.00 40.11 H new ATOM 0 HG23 THR A 7 13.894 1.288 8.183 1.00 40.11 H new ATOM 121 N PRO A 8 14.635 2.547 3.399 1.00 10.25 N ATOM 122 CA PRO A 8 15.037 2.668 1.971 1.00 13.31 C ATOM 123 C PRO A 8 16.047 1.573 1.523 1.00 55.13 C ATOM 124 O PRO A 8 17.056 1.326 2.192 1.00 11.12 O ATOM 125 CB PRO A 8 15.645 4.095 1.907 1.00 13.53 C ATOM 126 CG PRO A 8 16.179 4.323 3.280 1.00 61.12 C ATOM 127 CD PRO A 8 15.159 3.696 4.197 1.00 74.12 C ATOM 0 HA PRO A 8 14.201 2.523 1.287 1.00 13.31 H new ATOM 0 HB2 PRO A 8 16.433 4.160 1.157 1.00 13.53 H new ATOM 0 HB3 PRO A 8 14.892 4.838 1.643 1.00 13.53 H new ATOM 0 HG2 PRO A 8 17.159 3.863 3.405 1.00 61.12 H new ATOM 0 HG3 PRO A 8 16.297 5.387 3.487 1.00 61.12 H new ATOM 0 HD2 PRO A 8 15.610 3.363 5.132 1.00 74.12 H new ATOM 0 HD3 PRO A 8 14.367 4.399 4.457 1.00 74.12 H new ATOM 135 N GLY A 9 15.750 0.923 0.384 1.00 30.51 N ATOM 136 CA GLY A 9 16.592 -0.156 -0.164 1.00 12.14 C ATOM 137 C GLY A 9 15.970 -1.548 -0.025 1.00 33.33 C ATOM 138 O GLY A 9 16.396 -2.487 -0.703 1.00 61.14 O ATOM 0 H GLY A 9 14.925 1.129 -0.180 1.00 30.51 H new ATOM 0 HA2 GLY A 9 16.784 0.044 -1.218 1.00 12.14 H new ATOM 0 HA3 GLY A 9 17.557 -0.146 0.343 1.00 12.14 H new ATOM 142 N GLY A 10 14.976 -1.692 0.875 1.00 44.15 N ATOM 143 CA GLY A 10 14.229 -2.958 1.036 1.00 22.15 C ATOM 144 C GLY A 10 12.892 -2.944 0.285 1.00 0.13 C ATOM 145 O GLY A 10 12.857 -2.652 -0.919 1.00 35.31 O ATOM 0 H GLY A 10 14.671 -0.947 1.502 1.00 44.15 H new ATOM 0 HA2 GLY A 10 14.838 -3.786 0.673 1.00 22.15 H new ATOM 0 HA3 GLY A 10 14.046 -3.137 2.096 1.00 22.15 H new ATOM 149 N ASP A 11 11.793 -3.266 0.991 1.00 13.10 N ATOM 150 CA ASP A 11 10.426 -3.213 0.425 1.00 71.11 C ATOM 151 C ASP A 11 9.410 -2.661 1.454 1.00 14.34 C ATOM 152 O ASP A 11 9.627 -2.722 2.673 1.00 2.51 O ATOM 153 CB ASP A 11 9.980 -4.616 -0.085 1.00 51.12 C ATOM 154 CG ASP A 11 9.795 -5.662 1.028 1.00 54.43 C ATOM 155 OD1 ASP A 11 10.793 -6.287 1.449 1.00 60.52 O ATOM 156 OD2 ASP A 11 8.651 -5.865 1.497 1.00 54.22 O ATOM 0 H ASP A 11 11.823 -3.569 1.965 1.00 13.10 H new ATOM 0 HA ASP A 11 10.449 -2.529 -0.424 1.00 71.11 H new ATOM 0 HB2 ASP A 11 9.041 -4.511 -0.629 1.00 51.12 H new ATOM 0 HB3 ASP A 11 10.720 -4.984 -0.795 1.00 51.12 H new ATOM 161 N LEU A 12 8.308 -2.099 0.940 1.00 34.05 N ATOM 162 CA LEU A 12 7.145 -1.694 1.749 1.00 32.21 C ATOM 163 C LEU A 12 6.225 -2.916 1.997 1.00 40.14 C ATOM 164 O LEU A 12 6.238 -3.851 1.206 1.00 42.31 O ATOM 165 CB LEU A 12 6.382 -0.564 1.014 1.00 71.30 C ATOM 166 CG LEU A 12 5.136 0.021 1.748 1.00 30.32 C ATOM 167 CD1 LEU A 12 5.513 0.619 3.125 1.00 22.14 C ATOM 168 CD2 LEU A 12 4.408 1.049 0.858 1.00 24.30 C ATOM 0 H LEU A 12 8.195 -1.910 -0.056 1.00 34.05 H new ATOM 0 HA LEU A 12 7.478 -1.320 2.717 1.00 32.21 H new ATOM 0 HB2 LEU A 12 7.080 0.251 0.822 1.00 71.30 H new ATOM 0 HB3 LEU A 12 6.061 -0.943 0.044 1.00 71.30 H new ATOM 0 HG LEU A 12 4.445 -0.800 1.939 1.00 30.32 H new ATOM 0 HD11 LEU A 12 4.619 1.017 3.606 1.00 22.14 H new ATOM 0 HD12 LEU A 12 5.947 -0.159 3.753 1.00 22.14 H new ATOM 0 HD13 LEU A 12 6.238 1.421 2.987 1.00 22.14 H new ATOM 0 HD21 LEU A 12 3.543 1.443 1.391 1.00 24.30 H new ATOM 0 HD22 LEU A 12 5.088 1.866 0.615 1.00 24.30 H new ATOM 0 HD23 LEU A 12 4.078 0.565 -0.062 1.00 24.30 H new ATOM 180 N GLU A 13 5.464 -2.917 3.111 1.00 14.44 N ATOM 181 CA GLU A 13 4.447 -3.963 3.395 1.00 75.34 C ATOM 182 C GLU A 13 3.224 -3.344 4.109 1.00 13.02 C ATOM 183 O GLU A 13 3.306 -2.960 5.282 1.00 52.24 O ATOM 184 CB GLU A 13 5.053 -5.111 4.251 1.00 64.22 C ATOM 185 CG GLU A 13 4.081 -6.280 4.525 1.00 34.30 C ATOM 186 CD GLU A 13 4.701 -7.373 5.406 1.00 52.54 C ATOM 187 OE1 GLU A 13 4.727 -7.199 6.649 1.00 1.33 O ATOM 188 OE2 GLU A 13 5.181 -8.395 4.871 1.00 72.05 O ATOM 0 H GLU A 13 5.532 -2.202 3.836 1.00 14.44 H new ATOM 0 HA GLU A 13 4.120 -4.386 2.445 1.00 75.34 H new ATOM 0 HB2 GLU A 13 5.936 -5.499 3.744 1.00 64.22 H new ATOM 0 HB3 GLU A 13 5.387 -4.701 5.204 1.00 64.22 H new ATOM 0 HG2 GLU A 13 3.184 -5.895 5.009 1.00 34.30 H new ATOM 0 HG3 GLU A 13 3.769 -6.717 3.577 1.00 34.30 H new ATOM 195 N LEU A 14 2.095 -3.238 3.385 1.00 10.22 N ATOM 196 CA LEU A 14 0.834 -2.683 3.921 1.00 14.23 C ATOM 197 C LEU A 14 -0.180 -3.816 4.165 1.00 64.45 C ATOM 198 O LEU A 14 -0.806 -4.294 3.220 1.00 52.24 O ATOM 199 CB LEU A 14 0.246 -1.659 2.907 1.00 21.41 C ATOM 200 CG LEU A 14 1.195 -0.503 2.472 1.00 22.12 C ATOM 201 CD1 LEU A 14 0.499 0.456 1.490 1.00 45.31 C ATOM 202 CD2 LEU A 14 1.749 0.259 3.688 1.00 10.00 C ATOM 0 H LEU A 14 2.029 -3.534 2.411 1.00 10.22 H new ATOM 0 HA LEU A 14 1.037 -2.182 4.867 1.00 14.23 H new ATOM 0 HB2 LEU A 14 -0.066 -2.201 2.014 1.00 21.41 H new ATOM 0 HB3 LEU A 14 -0.651 -1.220 3.344 1.00 21.41 H new ATOM 0 HG LEU A 14 2.039 -0.956 1.952 1.00 22.12 H new ATOM 0 HD11 LEU A 14 1.189 1.251 1.207 1.00 45.31 H new ATOM 0 HD12 LEU A 14 0.193 -0.094 0.600 1.00 45.31 H new ATOM 0 HD13 LEU A 14 -0.379 0.891 1.967 1.00 45.31 H new ATOM 0 HD21 LEU A 14 2.407 1.058 3.347 1.00 10.00 H new ATOM 0 HD22 LEU A 14 0.923 0.686 4.257 1.00 10.00 H new ATOM 0 HD23 LEU A 14 2.310 -0.427 4.323 1.00 10.00 H new ATOM 214 N VAL A 15 -0.342 -4.227 5.433 1.00 15.34 N ATOM 215 CA VAL A 15 -1.337 -5.252 5.831 1.00 23.04 C ATOM 216 C VAL A 15 -2.613 -4.546 6.335 1.00 30.31 C ATOM 217 O VAL A 15 -2.547 -3.702 7.239 1.00 62.14 O ATOM 218 CB VAL A 15 -0.771 -6.228 6.932 1.00 33.10 C ATOM 219 CG1 VAL A 15 -1.804 -7.329 7.308 1.00 40.42 C ATOM 220 CG2 VAL A 15 0.573 -6.853 6.468 1.00 72.55 C ATOM 0 H VAL A 15 0.207 -3.864 6.212 1.00 15.34 H new ATOM 0 HA VAL A 15 -1.571 -5.862 4.959 1.00 23.04 H new ATOM 0 HB VAL A 15 -0.583 -5.643 7.832 1.00 33.10 H new ATOM 0 HG11 VAL A 15 -1.378 -7.983 8.069 1.00 40.42 H new ATOM 0 HG12 VAL A 15 -2.709 -6.862 7.696 1.00 40.42 H new ATOM 0 HG13 VAL A 15 -2.049 -7.915 6.423 1.00 40.42 H new ATOM 0 HG21 VAL A 15 0.948 -7.524 7.241 1.00 72.55 H new ATOM 0 HG22 VAL A 15 0.415 -7.414 5.547 1.00 72.55 H new ATOM 0 HG23 VAL A 15 1.300 -6.061 6.290 1.00 72.55 H new ATOM 230 N VAL A 16 -3.770 -4.893 5.743 1.00 32.25 N ATOM 231 CA VAL A 16 -5.048 -4.173 5.960 1.00 71.22 C ATOM 232 C VAL A 16 -6.067 -5.052 6.711 1.00 14.31 C ATOM 233 O VAL A 16 -6.133 -6.264 6.487 1.00 52.13 O ATOM 234 CB VAL A 16 -5.694 -3.715 4.594 1.00 52.10 C ATOM 235 CG1 VAL A 16 -6.736 -2.592 4.804 1.00 1.30 C ATOM 236 CG2 VAL A 16 -4.622 -3.292 3.580 1.00 23.35 C ATOM 0 H VAL A 16 -3.850 -5.680 5.099 1.00 32.25 H new ATOM 0 HA VAL A 16 -4.809 -3.295 6.561 1.00 71.22 H new ATOM 0 HB VAL A 16 -6.219 -4.577 4.182 1.00 52.10 H new ATOM 0 HG11 VAL A 16 -7.159 -2.303 3.842 1.00 1.30 H new ATOM 0 HG12 VAL A 16 -7.532 -2.951 5.457 1.00 1.30 H new ATOM 0 HG13 VAL A 16 -6.253 -1.729 5.262 1.00 1.30 H new ATOM 0 HG21 VAL A 16 -5.102 -2.983 2.651 1.00 23.35 H new ATOM 0 HG22 VAL A 16 -4.046 -2.460 3.985 1.00 23.35 H new ATOM 0 HG23 VAL A 16 -3.956 -4.132 3.382 1.00 23.35 H new ATOM 246 N HIS A 17 -6.848 -4.419 7.608 1.00 72.35 N ATOM 247 CA HIS A 17 -8.007 -5.042 8.284 1.00 33.02 C ATOM 248 C HIS A 17 -9.192 -4.042 8.346 1.00 2.03 C ATOM 249 O HIS A 17 -9.827 -3.869 9.393 1.00 62.04 O ATOM 250 CB HIS A 17 -7.599 -5.546 9.697 1.00 71.11 C ATOM 251 CG HIS A 17 -6.660 -6.727 9.677 1.00 11.52 C ATOM 252 ND1 HIS A 17 -5.289 -6.611 9.785 1.00 65.31 N ATOM 253 CD2 HIS A 17 -6.907 -8.051 9.522 1.00 35.44 C ATOM 254 CE1 HIS A 17 -4.740 -7.804 9.696 1.00 70.34 C ATOM 255 NE2 HIS A 17 -5.697 -8.692 9.536 1.00 23.53 N ATOM 0 H HIS A 17 -6.692 -3.451 7.888 1.00 72.35 H new ATOM 0 HA HIS A 17 -8.337 -5.908 7.710 1.00 33.02 H new ATOM 0 HB2 HIS A 17 -7.127 -4.728 10.241 1.00 71.11 H new ATOM 0 HB3 HIS A 17 -8.499 -5.819 10.249 1.00 71.11 H new ATOM 0 HD2 HIS A 17 -7.876 -8.513 9.409 1.00 35.44 H new ATOM 0 HE1 HIS A 17 -3.683 -8.018 9.746 1.00 70.34 H new ATOM 0 HE2 HIS A 17 -5.560 -9.698 9.438 1.00 23.53 H new ATOM 264 N LEU A 18 -9.459 -3.372 7.198 1.00 1.34 N ATOM 265 CA LEU A 18 -10.668 -2.524 7.009 1.00 0.32 C ATOM 266 C LEU A 18 -12.001 -3.300 7.230 1.00 13.13 C ATOM 267 O LEU A 18 -12.081 -4.512 7.002 1.00 44.23 O ATOM 268 CB LEU A 18 -10.639 -1.803 5.613 1.00 42.40 C ATOM 269 CG LEU A 18 -10.303 -2.630 4.306 1.00 51.34 C ATOM 270 CD1 LEU A 18 -11.367 -3.680 3.915 1.00 3.14 C ATOM 271 CD2 LEU A 18 -10.023 -1.672 3.117 1.00 33.20 C ATOM 0 H LEU A 18 -8.849 -3.402 6.381 1.00 1.34 H new ATOM 0 HA LEU A 18 -10.637 -1.760 7.786 1.00 0.32 H new ATOM 0 HB2 LEU A 18 -11.616 -1.343 5.464 1.00 42.40 H new ATOM 0 HB3 LEU A 18 -9.913 -0.993 5.681 1.00 42.40 H new ATOM 0 HG LEU A 18 -9.407 -3.202 4.546 1.00 51.34 H new ATOM 0 HD11 LEU A 18 -11.052 -4.197 3.009 1.00 3.14 H new ATOM 0 HD12 LEU A 18 -11.480 -4.402 4.724 1.00 3.14 H new ATOM 0 HD13 LEU A 18 -12.320 -3.183 3.736 1.00 3.14 H new ATOM 0 HD21 LEU A 18 -9.794 -2.256 2.226 1.00 33.20 H new ATOM 0 HD22 LEU A 18 -10.903 -1.056 2.931 1.00 33.20 H new ATOM 0 HD23 LEU A 18 -9.176 -1.030 3.359 1.00 33.20 H new ATOM 283 N SER A 19 -13.042 -2.570 7.672 1.00 5.31 N ATOM 284 CA SER A 19 -14.397 -3.130 7.917 1.00 72.24 C ATOM 285 C SER A 19 -15.307 -3.014 6.669 1.00 63.55 C ATOM 286 O SER A 19 -16.487 -3.381 6.732 1.00 2.21 O ATOM 287 CB SER A 19 -15.062 -2.411 9.116 1.00 71.12 C ATOM 288 OG SER A 19 -14.302 -2.566 10.308 1.00 53.14 O ATOM 0 H SER A 19 -12.973 -1.572 7.872 1.00 5.31 H new ATOM 0 HA SER A 19 -14.275 -4.189 8.144 1.00 72.24 H new ATOM 0 HB2 SER A 19 -15.172 -1.350 8.889 1.00 71.12 H new ATOM 0 HB3 SER A 19 -16.065 -2.810 9.269 1.00 71.12 H new ATOM 0 HG SER A 19 -14.749 -2.099 11.044 1.00 53.14 H new ATOM 294 N GLY A 20 -14.749 -2.512 5.546 1.00 21.22 N ATOM 295 CA GLY A 20 -15.507 -2.315 4.302 1.00 74.01 C ATOM 296 C GLY A 20 -15.850 -3.628 3.579 1.00 45.22 C ATOM 297 O GLY A 20 -14.927 -4.354 3.178 1.00 42.24 O ATOM 0 H GLY A 20 -13.769 -2.236 5.481 1.00 21.22 H new ATOM 0 HA2 GLY A 20 -16.431 -1.782 4.529 1.00 74.01 H new ATOM 0 HA3 GLY A 20 -14.929 -1.680 3.630 1.00 74.01 H new ATOM 301 N PRO A 21 -17.173 -3.987 3.420 1.00 45.40 N ATOM 302 CA PRO A 21 -17.601 -5.164 2.618 1.00 21.22 C ATOM 303 C PRO A 21 -17.188 -5.044 1.126 1.00 63.32 C ATOM 304 O PRO A 21 -17.681 -4.166 0.403 1.00 71.32 O ATOM 305 CB PRO A 21 -19.151 -5.188 2.794 1.00 45.55 C ATOM 306 CG PRO A 21 -19.408 -4.380 4.032 1.00 4.51 C ATOM 307 CD PRO A 21 -18.342 -3.308 4.042 1.00 4.55 C ATOM 0 HA PRO A 21 -17.126 -6.086 2.952 1.00 21.22 H new ATOM 0 HB2 PRO A 21 -19.654 -4.757 1.929 1.00 45.55 H new ATOM 0 HB3 PRO A 21 -19.521 -6.207 2.903 1.00 45.55 H new ATOM 0 HG2 PRO A 21 -20.406 -3.941 4.014 1.00 4.51 H new ATOM 0 HG3 PRO A 21 -19.349 -5.001 4.926 1.00 4.51 H new ATOM 0 HD2 PRO A 21 -18.648 -2.430 3.473 1.00 4.55 H new ATOM 0 HD3 PRO A 21 -18.120 -2.970 5.054 1.00 4.55 H new ATOM 315 N GLY A 22 -16.241 -5.901 0.698 1.00 12.20 N ATOM 316 CA GLY A 22 -15.781 -5.935 -0.697 1.00 14.00 C ATOM 317 C GLY A 22 -14.657 -6.943 -0.922 1.00 3.10 C ATOM 318 O GLY A 22 -13.738 -7.037 -0.107 1.00 24.54 O ATOM 0 H GLY A 22 -15.780 -6.580 1.304 1.00 12.20 H new ATOM 0 HA2 GLY A 22 -16.621 -6.182 -1.346 1.00 14.00 H new ATOM 0 HA3 GLY A 22 -15.436 -4.942 -0.986 1.00 14.00 H new ATOM 322 N GLY A 23 -14.724 -7.682 -2.041 1.00 43.43 N ATOM 323 CA GLY A 23 -13.755 -8.745 -2.354 1.00 50.25 C ATOM 324 C GLY A 23 -13.575 -8.935 -3.872 1.00 54.24 C ATOM 325 O GLY A 23 -14.528 -9.348 -4.540 1.00 41.34 O ATOM 0 H GLY A 23 -15.447 -7.561 -2.750 1.00 43.43 H new ATOM 0 HA2 GLY A 23 -12.793 -8.503 -1.903 1.00 50.25 H new ATOM 0 HA3 GLY A 23 -14.089 -9.682 -1.909 1.00 50.25 H new ATOM 329 N PRO A 24 -12.380 -8.615 -4.472 1.00 22.44 N ATOM 330 CA PRO A 24 -11.219 -8.004 -3.768 1.00 33.22 C ATOM 331 C PRO A 24 -11.335 -6.465 -3.597 1.00 71.25 C ATOM 332 O PRO A 24 -12.138 -5.796 -4.258 1.00 73.32 O ATOM 333 CB PRO A 24 -10.040 -8.375 -4.699 1.00 21.13 C ATOM 334 CG PRO A 24 -10.640 -8.358 -6.073 1.00 2.43 C ATOM 335 CD PRO A 24 -12.069 -8.856 -5.911 1.00 73.24 C ATOM 0 HA PRO A 24 -11.121 -8.366 -2.745 1.00 33.22 H new ATOM 0 HB2 PRO A 24 -9.223 -7.659 -4.612 1.00 21.13 H new ATOM 0 HB3 PRO A 24 -9.632 -9.356 -4.454 1.00 21.13 H new ATOM 0 HG2 PRO A 24 -10.622 -7.353 -6.494 1.00 2.43 H new ATOM 0 HG3 PRO A 24 -10.078 -8.999 -6.753 1.00 2.43 H new ATOM 0 HD2 PRO A 24 -12.755 -8.315 -6.563 1.00 73.24 H new ATOM 0 HD3 PRO A 24 -12.154 -9.913 -6.165 1.00 73.24 H new ATOM 343 N VAL A 25 -10.533 -5.935 -2.670 1.00 53.21 N ATOM 344 CA VAL A 25 -10.376 -4.481 -2.453 1.00 71.01 C ATOM 345 C VAL A 25 -9.272 -3.927 -3.401 1.00 1.51 C ATOM 346 O VAL A 25 -8.319 -4.643 -3.725 1.00 23.15 O ATOM 347 CB VAL A 25 -10.023 -4.215 -0.938 1.00 42.42 C ATOM 348 CG1 VAL A 25 -9.772 -2.731 -0.633 1.00 10.35 C ATOM 349 CG2 VAL A 25 -11.123 -4.789 -0.007 1.00 4.01 C ATOM 0 H VAL A 25 -9.966 -6.502 -2.039 1.00 53.21 H new ATOM 0 HA VAL A 25 -11.307 -3.964 -2.683 1.00 71.01 H new ATOM 0 HB VAL A 25 -9.086 -4.736 -0.742 1.00 42.42 H new ATOM 0 HG11 VAL A 25 -9.534 -2.612 0.424 1.00 10.35 H new ATOM 0 HG12 VAL A 25 -8.938 -2.372 -1.235 1.00 10.35 H new ATOM 0 HG13 VAL A 25 -10.666 -2.154 -0.871 1.00 10.35 H new ATOM 0 HG21 VAL A 25 -10.858 -4.594 1.032 1.00 4.01 H new ATOM 0 HG22 VAL A 25 -12.077 -4.313 -0.234 1.00 4.01 H new ATOM 0 HG23 VAL A 25 -11.208 -5.864 -0.164 1.00 4.01 H new ATOM 359 N ARG A 26 -9.370 -2.647 -3.793 1.00 24.52 N ATOM 360 CA ARG A 26 -8.475 -2.039 -4.810 1.00 61.52 C ATOM 361 C ARG A 26 -7.271 -1.358 -4.133 1.00 74.25 C ATOM 362 O ARG A 26 -7.270 -1.137 -2.923 1.00 72.00 O ATOM 363 CB ARG A 26 -9.258 -0.982 -5.642 1.00 21.42 C ATOM 364 CG ARG A 26 -10.491 -1.521 -6.401 1.00 31.00 C ATOM 365 CD ARG A 26 -11.273 -0.406 -7.119 1.00 64.52 C ATOM 366 NE ARG A 26 -12.468 -0.910 -7.821 1.00 13.21 N ATOM 367 CZ ARG A 26 -13.437 -0.163 -8.311 1.00 60.45 C ATOM 368 NH1 ARG A 26 -13.424 1.128 -8.190 1.00 51.32 N ATOM 369 NH2 ARG A 26 -14.429 -0.726 -8.914 1.00 52.53 N ATOM 0 H ARG A 26 -10.066 -2.001 -3.421 1.00 24.52 H new ATOM 0 HA ARG A 26 -8.115 -2.831 -5.466 1.00 61.52 H new ATOM 0 HB2 ARG A 26 -9.583 -0.185 -4.973 1.00 21.42 H new ATOM 0 HB3 ARG A 26 -8.575 -0.533 -6.364 1.00 21.42 H new ATOM 0 HG2 ARG A 26 -10.169 -2.263 -7.132 1.00 31.00 H new ATOM 0 HG3 ARG A 26 -11.152 -2.030 -5.700 1.00 31.00 H new ATOM 0 HD2 ARG A 26 -11.575 0.347 -6.391 1.00 64.52 H new ATOM 0 HD3 ARG A 26 -10.617 0.088 -7.836 1.00 64.52 H new ATOM 0 HE ARG A 26 -12.551 -1.920 -7.937 1.00 13.21 H new ATOM 0 HH11 ARG A 26 -12.652 1.587 -7.707 1.00 51.32 H new ATOM 0 HH12 ARG A 26 -14.186 1.684 -8.578 1.00 51.32 H new ATOM 0 HH21 ARG A 26 -14.459 -1.741 -9.008 1.00 52.53 H new ATOM 0 HH22 ARG A 26 -15.183 -0.156 -9.296 1.00 52.53 H new ATOM 383 N TRP A 27 -6.237 -1.059 -4.931 1.00 11.13 N ATOM 384 CA TRP A 27 -5.003 -0.384 -4.465 1.00 25.23 C ATOM 385 C TRP A 27 -4.618 0.761 -5.412 1.00 13.15 C ATOM 386 O TRP A 27 -4.534 0.554 -6.614 1.00 50.44 O ATOM 387 CB TRP A 27 -3.835 -1.400 -4.342 1.00 15.45 C ATOM 388 CG TRP A 27 -3.897 -2.227 -3.085 1.00 2.42 C ATOM 389 CD1 TRP A 27 -4.340 -3.516 -2.937 1.00 61.53 C ATOM 390 CD2 TRP A 27 -3.521 -1.779 -1.780 1.00 23.13 C ATOM 391 NE1 TRP A 27 -4.209 -3.905 -1.628 1.00 45.40 N ATOM 392 CE2 TRP A 27 -3.716 -2.851 -0.900 1.00 73.15 C ATOM 393 CE3 TRP A 27 -3.019 -0.567 -1.280 1.00 21.24 C ATOM 394 CZ2 TRP A 27 -3.425 -2.754 0.451 1.00 22.41 C ATOM 395 CZ3 TRP A 27 -2.735 -0.470 0.066 1.00 71.45 C ATOM 396 CH2 TRP A 27 -2.937 -1.559 0.918 1.00 12.32 C ATOM 0 H TRP A 27 -6.227 -1.278 -5.927 1.00 11.13 H new ATOM 0 HA TRP A 27 -5.200 0.037 -3.479 1.00 25.23 H new ATOM 0 HB2 TRP A 27 -3.847 -2.064 -5.207 1.00 15.45 H new ATOM 0 HB3 TRP A 27 -2.888 -0.860 -4.368 1.00 15.45 H new ATOM 0 HD1 TRP A 27 -4.733 -4.133 -3.732 1.00 61.53 H new ATOM 0 HE1 TRP A 27 -4.440 -4.826 -1.257 1.00 45.40 H new ATOM 0 HE3 TRP A 27 -2.858 0.274 -1.938 1.00 21.24 H new ATOM 0 HZ2 TRP A 27 -3.577 -3.592 1.115 1.00 22.41 H new ATOM 0 HZ3 TRP A 27 -2.352 0.457 0.466 1.00 71.45 H new ATOM 0 HH2 TRP A 27 -2.704 -1.458 1.968 1.00 12.32 H new ATOM 407 N TYR A 28 -4.402 1.966 -4.850 1.00 1.24 N ATOM 408 CA TYR A 28 -3.999 3.181 -5.606 1.00 24.32 C ATOM 409 C TYR A 28 -2.792 3.879 -4.927 1.00 52.31 C ATOM 410 O TYR A 28 -2.852 4.184 -3.747 1.00 75.24 O ATOM 411 CB TYR A 28 -5.186 4.191 -5.694 1.00 23.43 C ATOM 412 CG TYR A 28 -6.461 3.660 -6.384 1.00 21.14 C ATOM 413 CD1 TYR A 28 -6.640 3.793 -7.761 1.00 14.42 C ATOM 414 CD2 TYR A 28 -7.480 3.025 -5.661 1.00 13.41 C ATOM 415 CE1 TYR A 28 -7.773 3.327 -8.389 1.00 74.20 C ATOM 416 CE2 TYR A 28 -8.616 2.557 -6.292 1.00 72.44 C ATOM 417 CZ TYR A 28 -8.751 2.707 -7.657 1.00 74.04 C ATOM 418 OH TYR A 28 -9.879 2.246 -8.295 1.00 33.05 O ATOM 0 H TYR A 28 -4.502 2.131 -3.848 1.00 1.24 H new ATOM 0 HA TYR A 28 -3.714 2.865 -6.610 1.00 24.32 H new ATOM 0 HB2 TYR A 28 -5.446 4.508 -4.684 1.00 23.43 H new ATOM 0 HB3 TYR A 28 -4.847 5.078 -6.229 1.00 23.43 H new ATOM 0 HD1 TYR A 28 -5.871 4.273 -8.349 1.00 14.42 H new ATOM 0 HD2 TYR A 28 -7.375 2.900 -4.593 1.00 13.41 H new ATOM 0 HE1 TYR A 28 -7.890 3.450 -9.456 1.00 74.20 H new ATOM 0 HE2 TYR A 28 -9.395 2.076 -5.720 1.00 72.44 H new ATOM 0 HH TYR A 28 -9.655 1.995 -9.215 1.00 33.05 H new ATOM 428 N LYS A 29 -1.706 4.126 -5.678 1.00 3.21 N ATOM 429 CA LYS A 29 -0.568 4.982 -5.231 1.00 73.22 C ATOM 430 C LYS A 29 -0.517 6.247 -6.109 1.00 43.24 C ATOM 431 O LYS A 29 -0.601 6.148 -7.337 1.00 34.31 O ATOM 432 CB LYS A 29 0.765 4.198 -5.299 1.00 11.13 C ATOM 433 CG LYS A 29 2.069 5.028 -5.127 1.00 61.43 C ATOM 434 CD LYS A 29 2.147 5.847 -3.809 1.00 52.22 C ATOM 435 CE LYS A 29 3.504 6.565 -3.638 1.00 25.23 C ATOM 436 NZ LYS A 29 4.651 5.611 -3.595 1.00 25.42 N ATOM 0 H LYS A 29 -1.582 3.743 -6.615 1.00 3.21 H new ATOM 0 HA LYS A 29 -0.718 5.276 -4.192 1.00 73.22 H new ATOM 0 HB2 LYS A 29 0.747 3.428 -4.528 1.00 11.13 H new ATOM 0 HB3 LYS A 29 0.811 3.686 -6.260 1.00 11.13 H new ATOM 0 HG2 LYS A 29 2.923 4.352 -5.170 1.00 61.43 H new ATOM 0 HG3 LYS A 29 2.162 5.712 -5.970 1.00 61.43 H new ATOM 0 HD2 LYS A 29 1.345 6.585 -3.796 1.00 52.22 H new ATOM 0 HD3 LYS A 29 1.982 5.182 -2.961 1.00 52.22 H new ATOM 0 HE2 LYS A 29 3.648 7.265 -4.461 1.00 25.23 H new ATOM 0 HE3 LYS A 29 3.488 7.152 -2.720 1.00 25.23 H new ATOM 0 HZ1 LYS A 29 5.430 6.030 -3.048 1.00 25.42 H new ATOM 0 HZ2 LYS A 29 4.348 4.724 -3.143 1.00 25.42 H new ATOM 0 HZ3 LYS A 29 4.974 5.413 -4.563 1.00 25.42 H new ATOM 450 N ASP A 30 -0.377 7.429 -5.453 1.00 10.12 N ATOM 451 CA ASP A 30 -0.485 8.762 -6.105 1.00 70.54 C ATOM 452 C ASP A 30 -1.926 8.969 -6.677 1.00 13.23 C ATOM 453 O ASP A 30 -2.175 9.805 -7.546 1.00 72.03 O ATOM 454 CB ASP A 30 0.651 8.934 -7.178 1.00 35.25 C ATOM 455 CG ASP A 30 0.712 10.328 -7.824 1.00 13.41 C ATOM 456 OD1 ASP A 30 0.942 11.316 -7.098 1.00 31.31 O ATOM 457 OD2 ASP A 30 0.503 10.450 -9.052 1.00 22.01 O ATOM 0 H ASP A 30 -0.185 7.484 -4.453 1.00 10.12 H new ATOM 0 HA ASP A 30 -0.333 9.551 -5.369 1.00 70.54 H new ATOM 0 HB2 ASP A 30 1.612 8.723 -6.709 1.00 35.25 H new ATOM 0 HB3 ASP A 30 0.509 8.190 -7.962 1.00 35.25 H new ATOM 462 N GLY A 31 -2.892 8.209 -6.113 1.00 23.51 N ATOM 463 CA GLY A 31 -4.273 8.179 -6.599 1.00 63.42 C ATOM 464 C GLY A 31 -4.499 7.234 -7.793 1.00 22.24 C ATOM 465 O GLY A 31 -5.645 7.023 -8.196 1.00 21.04 O ATOM 0 H GLY A 31 -2.727 7.603 -5.309 1.00 23.51 H new ATOM 0 HA2 GLY A 31 -4.928 7.877 -5.782 1.00 63.42 H new ATOM 0 HA3 GLY A 31 -4.567 9.188 -6.887 1.00 63.42 H new ATOM 469 N GLU A 32 -3.414 6.639 -8.348 1.00 24.54 N ATOM 470 CA GLU A 32 -3.485 5.751 -9.539 1.00 52.41 C ATOM 471 C GLU A 32 -3.266 4.283 -9.149 1.00 73.21 C ATOM 472 O GLU A 32 -2.358 3.978 -8.387 1.00 42.51 O ATOM 473 CB GLU A 32 -2.448 6.166 -10.610 1.00 44.25 C ATOM 474 CG GLU A 32 -2.490 5.295 -11.892 1.00 73.13 C ATOM 475 CD GLU A 32 -1.712 5.898 -13.064 1.00 43.30 C ATOM 476 OE1 GLU A 32 -0.496 5.649 -13.186 1.00 33.44 O ATOM 477 OE2 GLU A 32 -2.318 6.653 -13.858 1.00 45.42 O ATOM 0 H GLU A 32 -2.468 6.759 -7.986 1.00 24.54 H new ATOM 0 HA GLU A 32 -4.485 5.857 -9.960 1.00 52.41 H new ATOM 0 HB2 GLU A 32 -2.619 7.207 -10.884 1.00 44.25 H new ATOM 0 HB3 GLU A 32 -1.449 6.110 -10.176 1.00 44.25 H new ATOM 0 HG2 GLU A 32 -2.084 4.309 -11.666 1.00 73.13 H new ATOM 0 HG3 GLU A 32 -3.528 5.152 -12.191 1.00 73.13 H new ATOM 484 N ARG A 33 -4.090 3.386 -9.716 1.00 14.41 N ATOM 485 CA ARG A 33 -4.123 1.953 -9.347 1.00 34.21 C ATOM 486 C ARG A 33 -2.768 1.229 -9.570 1.00 13.14 C ATOM 487 O ARG A 33 -2.010 1.569 -10.487 1.00 4.02 O ATOM 488 CB ARG A 33 -5.272 1.215 -10.104 1.00 41.14 C ATOM 489 CG ARG A 33 -4.975 0.846 -11.579 1.00 70.41 C ATOM 490 CD ARG A 33 -4.888 2.054 -12.528 1.00 24.11 C ATOM 491 NE ARG A 33 -4.484 1.661 -13.888 1.00 71.43 N ATOM 492 CZ ARG A 33 -4.114 2.485 -14.844 1.00 50.24 C ATOM 493 NH1 ARG A 33 -4.098 3.772 -14.669 1.00 1.43 N ATOM 494 NH2 ARG A 33 -3.760 2.003 -15.985 1.00 1.34 N ATOM 0 H ARG A 33 -4.757 3.632 -10.447 1.00 14.41 H new ATOM 0 HA ARG A 33 -4.317 1.917 -8.275 1.00 34.21 H new ATOM 0 HB2 ARG A 33 -5.512 0.301 -9.561 1.00 41.14 H new ATOM 0 HB3 ARG A 33 -6.162 1.844 -10.078 1.00 41.14 H new ATOM 0 HG2 ARG A 33 -4.035 0.297 -11.622 1.00 70.41 H new ATOM 0 HG3 ARG A 33 -5.754 0.173 -11.937 1.00 70.41 H new ATOM 0 HD2 ARG A 33 -5.856 2.554 -12.568 1.00 24.11 H new ATOM 0 HD3 ARG A 33 -4.173 2.775 -12.132 1.00 24.11 H new ATOM 0 HE ARG A 33 -4.492 0.665 -14.108 1.00 71.43 H new ATOM 0 HH11 ARG A 33 -4.377 4.168 -13.772 1.00 1.43 H new ATOM 0 HH12 ARG A 33 -3.806 4.386 -15.429 1.00 1.43 H new ATOM 0 HH21 ARG A 33 -3.769 0.995 -16.138 1.00 1.34 H new ATOM 0 HH22 ARG A 33 -3.471 2.630 -16.736 1.00 1.34 H new ATOM 508 N LEU A 34 -2.482 0.230 -8.719 1.00 54.54 N ATOM 509 CA LEU A 34 -1.275 -0.609 -8.832 1.00 64.34 C ATOM 510 C LEU A 34 -1.624 -1.961 -9.492 1.00 23.14 C ATOM 511 O LEU A 34 -2.542 -2.657 -9.047 1.00 24.22 O ATOM 512 CB LEU A 34 -0.621 -0.829 -7.437 1.00 12.33 C ATOM 513 CG LEU A 34 -0.079 0.451 -6.714 1.00 20.25 C ATOM 514 CD1 LEU A 34 0.726 0.094 -5.450 1.00 32.32 C ATOM 515 CD2 LEU A 34 0.758 1.332 -7.679 1.00 72.22 C ATOM 0 H LEU A 34 -3.081 -0.020 -7.932 1.00 54.54 H new ATOM 0 HA LEU A 34 -0.553 -0.091 -9.463 1.00 64.34 H new ATOM 0 HB2 LEU A 34 -1.355 -1.304 -6.786 1.00 12.33 H new ATOM 0 HB3 LEU A 34 0.204 -1.531 -7.553 1.00 12.33 H new ATOM 0 HG LEU A 34 -0.945 1.032 -6.396 1.00 20.25 H new ATOM 0 HD11 LEU A 34 1.085 1.008 -4.977 1.00 32.32 H new ATOM 0 HD12 LEU A 34 0.087 -0.449 -4.753 1.00 32.32 H new ATOM 0 HD13 LEU A 34 1.576 -0.530 -5.724 1.00 32.32 H new ATOM 0 HD21 LEU A 34 1.120 2.212 -7.147 1.00 72.22 H new ATOM 0 HD22 LEU A 34 1.607 0.759 -8.051 1.00 72.22 H new ATOM 0 HD23 LEU A 34 0.136 1.645 -8.518 1.00 72.22 H new ATOM 527 N ALA A 35 -0.904 -2.296 -10.577 1.00 73.43 N ATOM 528 CA ALA A 35 -1.009 -3.604 -11.262 1.00 4.12 C ATOM 529 C ALA A 35 -0.107 -4.637 -10.562 1.00 55.22 C ATOM 530 O ALA A 35 1.010 -4.300 -10.172 1.00 23.44 O ATOM 531 CB ALA A 35 -0.606 -3.456 -12.742 1.00 33.35 C ATOM 0 H ALA A 35 -0.228 -1.666 -11.009 1.00 73.43 H new ATOM 0 HA ALA A 35 -2.041 -3.951 -11.214 1.00 4.12 H new ATOM 0 HB1 ALA A 35 -0.686 -4.423 -13.239 1.00 33.35 H new ATOM 0 HB2 ALA A 35 -1.269 -2.741 -13.230 1.00 33.35 H new ATOM 0 HB3 ALA A 35 0.422 -3.099 -12.805 1.00 33.35 H new ATOM 537 N SER A 36 -0.597 -5.884 -10.403 1.00 43.54 N ATOM 538 CA SER A 36 0.173 -6.987 -9.764 1.00 61.32 C ATOM 539 C SER A 36 1.435 -7.346 -10.599 1.00 41.53 C ATOM 540 O SER A 36 1.377 -8.128 -11.552 1.00 70.21 O ATOM 541 CB SER A 36 -0.737 -8.227 -9.554 1.00 71.13 C ATOM 542 OG SER A 36 -1.332 -8.652 -10.775 1.00 12.45 O ATOM 0 H SER A 36 -1.530 -6.160 -10.709 1.00 43.54 H new ATOM 0 HA SER A 36 0.516 -6.647 -8.787 1.00 61.32 H new ATOM 0 HB2 SER A 36 -0.150 -9.042 -9.131 1.00 71.13 H new ATOM 0 HB3 SER A 36 -1.518 -7.988 -8.832 1.00 71.13 H new ATOM 0 HG SER A 36 -0.657 -8.652 -11.485 1.00 12.45 H new ATOM 548 N GLN A 37 2.567 -6.714 -10.247 1.00 22.21 N ATOM 549 CA GLN A 37 3.852 -6.846 -10.979 1.00 2.31 C ATOM 550 C GLN A 37 4.918 -7.594 -10.141 1.00 54.34 C ATOM 551 O GLN A 37 4.606 -8.163 -9.087 1.00 52.25 O ATOM 552 CB GLN A 37 4.351 -5.421 -11.375 1.00 34.14 C ATOM 553 CG GLN A 37 3.467 -4.681 -12.402 1.00 32.24 C ATOM 554 CD GLN A 37 3.373 -5.404 -13.753 1.00 23.42 C ATOM 555 OE1 GLN A 37 4.182 -5.185 -14.647 1.00 1.31 O ATOM 556 NE2 GLN A 37 2.403 -6.289 -13.904 1.00 35.43 N ATOM 0 H GLN A 37 2.624 -6.091 -9.441 1.00 22.21 H new ATOM 0 HA GLN A 37 3.688 -7.443 -11.876 1.00 2.31 H new ATOM 0 HB2 GLN A 37 4.420 -4.813 -10.473 1.00 34.14 H new ATOM 0 HB3 GLN A 37 5.359 -5.505 -11.780 1.00 34.14 H new ATOM 0 HG2 GLN A 37 2.465 -4.563 -11.990 1.00 32.24 H new ATOM 0 HG3 GLN A 37 3.867 -3.679 -12.561 1.00 32.24 H new ATOM 0 HE21 GLN A 37 1.741 -6.455 -13.146 1.00 35.43 H new ATOM 0 HE22 GLN A 37 2.316 -6.806 -14.779 1.00 35.43 H new ATOM 565 N GLY A 38 6.175 -7.606 -10.643 1.00 14.22 N ATOM 566 CA GLY A 38 7.319 -8.178 -9.910 1.00 63.22 C ATOM 567 C GLY A 38 7.632 -7.421 -8.616 1.00 71.00 C ATOM 568 O GLY A 38 7.874 -8.028 -7.565 1.00 54.51 O ATOM 0 H GLY A 38 6.419 -7.223 -11.557 1.00 14.22 H new ATOM 0 HA2 GLY A 38 7.109 -9.221 -9.674 1.00 63.22 H new ATOM 0 HA3 GLY A 38 8.199 -8.168 -10.553 1.00 63.22 H new ATOM 572 N ARG A 39 7.630 -6.080 -8.715 1.00 25.50 N ATOM 573 CA ARG A 39 7.748 -5.181 -7.552 1.00 34.41 C ATOM 574 C ARG A 39 6.440 -5.156 -6.733 1.00 61.52 C ATOM 575 O ARG A 39 6.456 -5.382 -5.521 1.00 2.25 O ATOM 576 CB ARG A 39 8.126 -3.738 -7.992 1.00 22.44 C ATOM 577 CG ARG A 39 9.562 -3.588 -8.554 1.00 43.00 C ATOM 578 CD ARG A 39 9.908 -2.122 -8.890 1.00 45.40 C ATOM 579 NE ARG A 39 11.340 -1.928 -9.191 1.00 61.51 N ATOM 580 CZ ARG A 39 11.986 -0.779 -9.123 1.00 15.33 C ATOM 581 NH1 ARG A 39 11.377 0.324 -8.806 1.00 33.20 N ATOM 582 NH2 ARG A 39 13.250 -0.745 -9.373 1.00 15.23 N ATOM 0 H ARG A 39 7.546 -5.588 -9.605 1.00 25.50 H new ATOM 0 HA ARG A 39 8.546 -5.571 -6.921 1.00 34.41 H new ATOM 0 HB2 ARG A 39 7.417 -3.407 -8.751 1.00 22.44 H new ATOM 0 HB3 ARG A 39 8.013 -3.071 -7.137 1.00 22.44 H new ATOM 0 HG2 ARG A 39 10.277 -3.970 -7.825 1.00 43.00 H new ATOM 0 HG3 ARG A 39 9.664 -4.198 -9.451 1.00 43.00 H new ATOM 0 HD2 ARG A 39 9.314 -1.800 -9.746 1.00 45.40 H new ATOM 0 HD3 ARG A 39 9.628 -1.486 -8.050 1.00 45.40 H new ATOM 0 HE ARG A 39 11.874 -2.749 -9.475 1.00 61.51 H new ATOM 0 HH11 ARG A 39 10.377 0.314 -8.603 1.00 33.20 H new ATOM 0 HH12 ARG A 39 11.898 1.199 -8.760 1.00 33.20 H new ATOM 0 HH21 ARG A 39 13.744 -1.602 -9.621 1.00 15.23 H new ATOM 0 HH22 ARG A 39 13.756 0.139 -9.323 1.00 15.23 H new ATOM 596 N VAL A 40 5.315 -4.885 -7.417 1.00 60.42 N ATOM 597 CA VAL A 40 3.991 -4.729 -6.775 1.00 65.52 C ATOM 598 C VAL A 40 3.351 -6.110 -6.449 1.00 74.32 C ATOM 599 O VAL A 40 2.731 -6.751 -7.305 1.00 53.24 O ATOM 600 CB VAL A 40 3.034 -3.869 -7.680 1.00 50.04 C ATOM 601 CG1 VAL A 40 1.636 -3.700 -7.035 1.00 52.11 C ATOM 602 CG2 VAL A 40 3.671 -2.491 -8.008 1.00 25.14 C ATOM 0 H VAL A 40 5.294 -4.767 -8.430 1.00 60.42 H new ATOM 0 HA VAL A 40 4.138 -4.203 -5.832 1.00 65.52 H new ATOM 0 HB VAL A 40 2.895 -4.409 -8.617 1.00 50.04 H new ATOM 0 HG11 VAL A 40 1.003 -3.100 -7.690 1.00 52.11 H new ATOM 0 HG12 VAL A 40 1.182 -4.680 -6.889 1.00 52.11 H new ATOM 0 HG13 VAL A 40 1.738 -3.200 -6.072 1.00 52.11 H new ATOM 0 HG21 VAL A 40 2.990 -1.915 -8.635 1.00 25.14 H new ATOM 0 HG22 VAL A 40 3.859 -1.947 -7.082 1.00 25.14 H new ATOM 0 HG23 VAL A 40 4.612 -2.642 -8.538 1.00 25.14 H new ATOM 612 N GLN A 41 3.551 -6.563 -5.203 1.00 12.21 N ATOM 613 CA GLN A 41 2.991 -7.830 -4.683 1.00 70.55 C ATOM 614 C GLN A 41 1.608 -7.570 -4.029 1.00 4.31 C ATOM 615 O GLN A 41 1.535 -7.074 -2.902 1.00 15.55 O ATOM 616 CB GLN A 41 3.979 -8.446 -3.648 1.00 52.14 C ATOM 617 CG GLN A 41 5.405 -8.698 -4.199 1.00 34.24 C ATOM 618 CD GLN A 41 6.396 -9.156 -3.121 1.00 53.21 C ATOM 619 OE1 GLN A 41 6.557 -10.345 -2.863 1.00 34.32 O ATOM 620 NE2 GLN A 41 7.072 -8.216 -2.487 1.00 75.23 N ATOM 0 H GLN A 41 4.112 -6.058 -4.516 1.00 12.21 H new ATOM 0 HA GLN A 41 2.855 -8.533 -5.505 1.00 70.55 H new ATOM 0 HB2 GLN A 41 4.047 -7.780 -2.788 1.00 52.14 H new ATOM 0 HB3 GLN A 41 3.569 -9.390 -3.289 1.00 52.14 H new ATOM 0 HG2 GLN A 41 5.356 -9.453 -4.983 1.00 34.24 H new ATOM 0 HG3 GLN A 41 5.777 -7.783 -4.660 1.00 34.24 H new ATOM 0 HE21 GLN A 41 6.921 -7.234 -2.719 1.00 75.23 H new ATOM 0 HE22 GLN A 41 7.746 -8.471 -1.765 1.00 75.23 H new ATOM 629 N LEU A 42 0.520 -7.865 -4.766 1.00 20.42 N ATOM 630 CA LEU A 42 -0.871 -7.684 -4.271 1.00 53.50 C ATOM 631 C LEU A 42 -1.455 -9.001 -3.708 1.00 21.54 C ATOM 632 O LEU A 42 -1.359 -10.052 -4.344 1.00 13.23 O ATOM 633 CB LEU A 42 -1.794 -7.154 -5.406 1.00 54.22 C ATOM 634 CG LEU A 42 -1.478 -5.721 -5.935 1.00 13.14 C ATOM 635 CD1 LEU A 42 -2.464 -5.297 -7.045 1.00 63.32 C ATOM 636 CD2 LEU A 42 -1.478 -4.698 -4.780 1.00 61.01 C ATOM 0 H LEU A 42 0.572 -8.233 -5.716 1.00 20.42 H new ATOM 0 HA LEU A 42 -0.830 -6.953 -3.464 1.00 53.50 H new ATOM 0 HB2 LEU A 42 -1.740 -7.849 -6.244 1.00 54.22 H new ATOM 0 HB3 LEU A 42 -2.823 -7.168 -5.046 1.00 54.22 H new ATOM 0 HG LEU A 42 -0.480 -5.744 -6.373 1.00 13.14 H new ATOM 0 HD11 LEU A 42 -2.214 -4.294 -7.390 1.00 63.32 H new ATOM 0 HD12 LEU A 42 -2.395 -5.995 -7.879 1.00 63.32 H new ATOM 0 HD13 LEU A 42 -3.480 -5.302 -6.651 1.00 63.32 H new ATOM 0 HD21 LEU A 42 -1.255 -3.706 -5.173 1.00 61.01 H new ATOM 0 HD22 LEU A 42 -2.458 -4.688 -4.303 1.00 61.01 H new ATOM 0 HD23 LEU A 42 -0.721 -4.977 -4.047 1.00 61.01 H new ATOM 648 N GLU A 43 -2.073 -8.916 -2.518 1.00 71.11 N ATOM 649 CA GLU A 43 -2.843 -10.020 -1.898 1.00 2.31 C ATOM 650 C GLU A 43 -4.358 -9.715 -1.954 1.00 22.24 C ATOM 651 O GLU A 43 -4.787 -8.618 -1.571 1.00 65.03 O ATOM 652 CB GLU A 43 -2.406 -10.217 -0.420 1.00 72.05 C ATOM 653 CG GLU A 43 -1.050 -10.933 -0.219 1.00 10.21 C ATOM 654 CD GLU A 43 -1.110 -12.434 -0.549 1.00 44.22 C ATOM 655 OE1 GLU A 43 -1.903 -13.153 0.097 1.00 72.54 O ATOM 656 OE2 GLU A 43 -0.365 -12.904 -1.441 1.00 10.23 O ATOM 0 H GLU A 43 -2.055 -8.070 -1.948 1.00 71.11 H new ATOM 0 HA GLU A 43 -2.642 -10.935 -2.455 1.00 2.31 H new ATOM 0 HB2 GLU A 43 -2.356 -9.240 0.060 1.00 72.05 H new ATOM 0 HB3 GLU A 43 -3.178 -10.787 0.097 1.00 72.05 H new ATOM 0 HG2 GLU A 43 -0.297 -10.458 -0.848 1.00 10.21 H new ATOM 0 HG3 GLU A 43 -0.728 -10.806 0.815 1.00 10.21 H new ATOM 663 N GLN A 44 -5.154 -10.695 -2.432 1.00 75.30 N ATOM 664 CA GLN A 44 -6.631 -10.593 -2.455 1.00 14.21 C ATOM 665 C GLN A 44 -7.259 -11.428 -1.315 1.00 54.31 C ATOM 666 O GLN A 44 -6.767 -12.513 -0.981 1.00 43.13 O ATOM 667 CB GLN A 44 -7.205 -11.052 -3.828 1.00 21.34 C ATOM 668 CG GLN A 44 -6.865 -12.511 -4.224 1.00 74.40 C ATOM 669 CD GLN A 44 -7.700 -13.064 -5.381 1.00 74.33 C ATOM 670 OE1 GLN A 44 -8.158 -12.333 -6.248 1.00 14.42 O ATOM 671 NE2 GLN A 44 -7.896 -14.367 -5.406 1.00 63.34 N ATOM 0 H GLN A 44 -4.796 -11.572 -2.810 1.00 75.30 H new ATOM 0 HA GLN A 44 -6.889 -9.545 -2.305 1.00 14.21 H new ATOM 0 HB2 GLN A 44 -8.289 -10.940 -3.808 1.00 21.34 H new ATOM 0 HB3 GLN A 44 -6.830 -10.384 -4.603 1.00 21.34 H new ATOM 0 HG2 GLN A 44 -5.811 -12.564 -4.495 1.00 74.40 H new ATOM 0 HG3 GLN A 44 -7.003 -13.152 -3.354 1.00 74.40 H new ATOM 0 HE21 GLN A 44 -7.504 -14.956 -4.671 1.00 63.34 H new ATOM 0 HE22 GLN A 44 -8.440 -14.787 -6.160 1.00 63.34 H new ATOM 680 N ALA A 45 -8.327 -10.874 -0.722 1.00 23.24 N ATOM 681 CA ALA A 45 -9.193 -11.555 0.272 1.00 35.35 C ATOM 682 C ALA A 45 -10.418 -10.667 0.581 1.00 13.32 C ATOM 683 O ALA A 45 -11.566 -11.127 0.573 1.00 33.42 O ATOM 684 CB ALA A 45 -8.430 -11.877 1.577 1.00 74.13 C ATOM 0 H ALA A 45 -8.626 -9.919 -0.920 1.00 23.24 H new ATOM 0 HA ALA A 45 -9.519 -12.502 -0.158 1.00 35.35 H new ATOM 0 HB1 ALA A 45 -9.101 -12.375 2.277 1.00 74.13 H new ATOM 0 HB2 ALA A 45 -7.587 -12.531 1.354 1.00 74.13 H new ATOM 0 HB3 ALA A 45 -8.063 -10.952 2.022 1.00 74.13 H new ATOM 690 N GLY A 46 -10.135 -9.384 0.867 1.00 44.22 N ATOM 691 CA GLY A 46 -11.157 -8.387 1.209 1.00 43.42 C ATOM 692 C GLY A 46 -10.904 -7.788 2.587 1.00 34.35 C ATOM 693 O GLY A 46 -10.456 -6.642 2.709 1.00 72.03 O ATOM 0 H GLY A 46 -9.186 -9.011 0.867 1.00 44.22 H new ATOM 0 HA2 GLY A 46 -11.161 -7.595 0.460 1.00 43.42 H new ATOM 0 HA3 GLY A 46 -12.143 -8.851 1.187 1.00 43.42 H new ATOM 697 N ALA A 47 -11.153 -8.600 3.630 1.00 21.23 N ATOM 698 CA ALA A 47 -10.900 -8.226 5.043 1.00 14.42 C ATOM 699 C ALA A 47 -9.381 -8.192 5.379 1.00 33.30 C ATOM 700 O ALA A 47 -8.971 -7.617 6.393 1.00 33.41 O ATOM 701 CB ALA A 47 -11.638 -9.203 5.970 1.00 70.14 C ATOM 0 H ALA A 47 -11.537 -9.539 3.522 1.00 21.23 H new ATOM 0 HA ALA A 47 -11.279 -7.216 5.198 1.00 14.42 H new ATOM 0 HB1 ALA A 47 -11.453 -8.929 7.009 1.00 70.14 H new ATOM 0 HB2 ALA A 47 -12.708 -9.158 5.768 1.00 70.14 H new ATOM 0 HB3 ALA A 47 -11.277 -10.216 5.792 1.00 70.14 H new ATOM 707 N ARG A 48 -8.561 -8.842 4.524 1.00 61.22 N ATOM 708 CA ARG A 48 -7.082 -8.820 4.631 1.00 54.32 C ATOM 709 C ARG A 48 -6.445 -8.585 3.239 1.00 12.14 C ATOM 710 O ARG A 48 -6.471 -9.465 2.377 1.00 31.03 O ATOM 711 CB ARG A 48 -6.547 -10.146 5.233 1.00 72.45 C ATOM 712 CG ARG A 48 -5.017 -10.144 5.518 1.00 54.33 C ATOM 713 CD ARG A 48 -4.452 -11.553 5.780 1.00 5.41 C ATOM 714 NE ARG A 48 -4.540 -12.416 4.583 1.00 42.44 N ATOM 715 CZ ARG A 48 -4.117 -13.661 4.506 1.00 72.25 C ATOM 716 NH1 ARG A 48 -3.599 -14.263 5.529 1.00 33.22 N ATOM 717 NH2 ARG A 48 -4.225 -14.299 3.395 1.00 33.12 N ATOM 0 H ARG A 48 -8.904 -9.397 3.740 1.00 61.22 H new ATOM 0 HA ARG A 48 -6.807 -8.001 5.296 1.00 54.32 H new ATOM 0 HB2 ARG A 48 -7.078 -10.351 6.162 1.00 72.45 H new ATOM 0 HB3 ARG A 48 -6.777 -10.962 4.548 1.00 72.45 H new ATOM 0 HG2 ARG A 48 -4.495 -9.701 4.669 1.00 54.33 H new ATOM 0 HG3 ARG A 48 -4.815 -9.511 6.382 1.00 54.33 H new ATOM 0 HD2 ARG A 48 -3.411 -11.474 6.094 1.00 5.41 H new ATOM 0 HD3 ARG A 48 -4.999 -12.016 6.602 1.00 5.41 H new ATOM 0 HE ARG A 48 -4.964 -12.014 3.747 1.00 42.44 H new ATOM 0 HH11 ARG A 48 -3.512 -13.772 6.419 1.00 33.22 H new ATOM 0 HH12 ARG A 48 -3.279 -15.228 5.445 1.00 33.22 H new ATOM 0 HH21 ARG A 48 -4.636 -13.841 2.582 1.00 33.12 H new ATOM 0 HH22 ARG A 48 -3.900 -15.263 3.327 1.00 33.12 H new ATOM 731 N GLN A 49 -5.892 -7.385 3.028 1.00 52.03 N ATOM 732 CA GLN A 49 -5.137 -7.040 1.797 1.00 25.42 C ATOM 733 C GLN A 49 -3.662 -6.766 2.160 1.00 45.43 C ATOM 734 O GLN A 49 -3.386 -6.225 3.226 1.00 74.45 O ATOM 735 CB GLN A 49 -5.774 -5.788 1.132 1.00 3.05 C ATOM 736 CG GLN A 49 -7.266 -5.939 0.769 1.00 42.12 C ATOM 737 CD GLN A 49 -7.521 -6.931 -0.372 1.00 64.22 C ATOM 738 OE1 GLN A 49 -7.724 -8.115 -0.159 1.00 24.20 O ATOM 739 NE2 GLN A 49 -7.525 -6.449 -1.600 1.00 64.21 N ATOM 0 H GLN A 49 -5.950 -6.620 3.700 1.00 52.03 H new ATOM 0 HA GLN A 49 -5.178 -7.871 1.093 1.00 25.42 H new ATOM 0 HB2 GLN A 49 -5.662 -4.939 1.806 1.00 3.05 H new ATOM 0 HB3 GLN A 49 -5.216 -5.551 0.226 1.00 3.05 H new ATOM 0 HG2 GLN A 49 -7.815 -6.265 1.652 1.00 42.12 H new ATOM 0 HG3 GLN A 49 -7.664 -4.964 0.488 1.00 42.12 H new ATOM 0 HE21 GLN A 49 -7.353 -5.456 -1.759 1.00 64.21 H new ATOM 0 HE22 GLN A 49 -7.700 -7.069 -2.391 1.00 64.21 H new ATOM 748 N VAL A 50 -2.714 -7.170 1.296 1.00 40.53 N ATOM 749 CA VAL A 50 -1.275 -6.849 1.486 1.00 62.50 C ATOM 750 C VAL A 50 -0.658 -6.336 0.165 1.00 44.34 C ATOM 751 O VAL A 50 -0.582 -7.068 -0.821 1.00 71.13 O ATOM 752 CB VAL A 50 -0.422 -8.065 2.036 1.00 61.15 C ATOM 753 CG1 VAL A 50 1.066 -7.670 2.234 1.00 22.23 C ATOM 754 CG2 VAL A 50 -1.013 -8.634 3.354 1.00 3.25 C ATOM 0 H VAL A 50 -2.911 -7.719 0.459 1.00 40.53 H new ATOM 0 HA VAL A 50 -1.239 -6.069 2.246 1.00 62.50 H new ATOM 0 HB VAL A 50 -0.469 -8.851 1.282 1.00 61.15 H new ATOM 0 HG11 VAL A 50 1.623 -8.527 2.612 1.00 22.23 H new ATOM 0 HG12 VAL A 50 1.489 -7.355 1.280 1.00 22.23 H new ATOM 0 HG13 VAL A 50 1.133 -6.850 2.949 1.00 22.23 H new ATOM 0 HG21 VAL A 50 -0.399 -9.466 3.698 1.00 3.25 H new ATOM 0 HG22 VAL A 50 -1.025 -7.853 4.114 1.00 3.25 H new ATOM 0 HG23 VAL A 50 -2.030 -8.983 3.176 1.00 3.25 H new ATOM 764 N LEU A 51 -0.252 -5.057 0.164 1.00 23.03 N ATOM 765 CA LEU A 51 0.526 -4.443 -0.933 1.00 72.15 C ATOM 766 C LEU A 51 1.990 -4.288 -0.480 1.00 73.21 C ATOM 767 O LEU A 51 2.284 -3.579 0.482 1.00 53.01 O ATOM 768 CB LEU A 51 -0.128 -3.082 -1.347 1.00 10.52 C ATOM 769 CG LEU A 51 0.615 -2.107 -2.350 1.00 53.11 C ATOM 770 CD1 LEU A 51 1.590 -1.152 -1.632 1.00 42.01 C ATOM 771 CD2 LEU A 51 1.329 -2.863 -3.492 1.00 72.53 C ATOM 0 H LEU A 51 -0.454 -4.412 0.928 1.00 23.03 H new ATOM 0 HA LEU A 51 0.519 -5.079 -1.818 1.00 72.15 H new ATOM 0 HB2 LEU A 51 -1.101 -3.311 -1.782 1.00 10.52 H new ATOM 0 HB3 LEU A 51 -0.313 -2.522 -0.431 1.00 10.52 H new ATOM 0 HG LEU A 51 -0.169 -1.498 -2.801 1.00 53.11 H new ATOM 0 HD11 LEU A 51 2.073 -0.506 -2.365 1.00 42.01 H new ATOM 0 HD12 LEU A 51 1.040 -0.541 -0.916 1.00 42.01 H new ATOM 0 HD13 LEU A 51 2.348 -1.733 -1.106 1.00 42.01 H new ATOM 0 HD21 LEU A 51 1.822 -2.147 -4.150 1.00 72.53 H new ATOM 0 HD22 LEU A 51 2.072 -3.540 -3.071 1.00 72.53 H new ATOM 0 HD23 LEU A 51 0.598 -3.436 -4.062 1.00 72.53 H new ATOM 783 N ARG A 52 2.896 -4.981 -1.181 1.00 21.11 N ATOM 784 CA ARG A 52 4.344 -4.872 -0.950 1.00 3.33 C ATOM 785 C ARG A 52 5.045 -4.285 -2.185 1.00 73.13 C ATOM 786 O ARG A 52 5.073 -4.924 -3.232 1.00 41.24 O ATOM 787 CB ARG A 52 4.944 -6.260 -0.604 1.00 13.15 C ATOM 788 CG ARG A 52 4.385 -6.891 0.685 1.00 23.34 C ATOM 789 CD ARG A 52 5.071 -8.221 1.039 1.00 74.51 C ATOM 790 NE ARG A 52 6.524 -8.062 1.264 1.00 10.41 N ATOM 791 CZ ARG A 52 7.402 -9.045 1.298 1.00 21.23 C ATOM 792 NH1 ARG A 52 7.053 -10.267 1.050 1.00 34.30 N ATOM 793 NH2 ARG A 52 8.639 -8.795 1.559 1.00 34.22 N ATOM 0 H ARG A 52 2.647 -5.633 -1.925 1.00 21.11 H new ATOM 0 HA ARG A 52 4.506 -4.201 -0.106 1.00 3.33 H new ATOM 0 HB2 ARG A 52 4.760 -6.940 -1.436 1.00 13.15 H new ATOM 0 HB3 ARG A 52 6.025 -6.161 -0.506 1.00 13.15 H new ATOM 0 HG2 ARG A 52 4.510 -6.191 1.511 1.00 23.34 H new ATOM 0 HG3 ARG A 52 3.314 -7.059 0.568 1.00 23.34 H new ATOM 0 HD2 ARG A 52 4.611 -8.637 1.935 1.00 74.51 H new ATOM 0 HD3 ARG A 52 4.907 -8.937 0.234 1.00 74.51 H new ATOM 0 HE ARG A 52 6.875 -7.115 1.404 1.00 10.41 H new ATOM 0 HH11 ARG A 52 6.083 -10.484 0.823 1.00 34.30 H new ATOM 0 HH12 ARG A 52 7.748 -11.012 1.082 1.00 34.30 H new ATOM 0 HH21 ARG A 52 8.939 -7.837 1.739 1.00 34.22 H new ATOM 0 HH22 ARG A 52 9.318 -9.555 1.585 1.00 34.22 H new ATOM 807 N VAL A 53 5.599 -3.064 -2.067 1.00 13.54 N ATOM 808 CA VAL A 53 6.391 -2.448 -3.156 1.00 64.24 C ATOM 809 C VAL A 53 7.886 -2.787 -2.969 1.00 63.54 C ATOM 810 O VAL A 53 8.561 -2.207 -2.109 1.00 71.41 O ATOM 811 CB VAL A 53 6.212 -0.883 -3.232 1.00 62.31 C ATOM 812 CG1 VAL A 53 6.969 -0.297 -4.455 1.00 75.25 C ATOM 813 CG2 VAL A 53 4.717 -0.485 -3.260 1.00 52.23 C ATOM 0 H VAL A 53 5.515 -2.483 -1.233 1.00 13.54 H new ATOM 0 HA VAL A 53 6.020 -2.862 -4.094 1.00 64.24 H new ATOM 0 HB VAL A 53 6.648 -0.456 -2.329 1.00 62.31 H new ATOM 0 HG11 VAL A 53 6.830 0.784 -4.485 1.00 75.25 H new ATOM 0 HG12 VAL A 53 8.032 -0.524 -4.368 1.00 75.25 H new ATOM 0 HG13 VAL A 53 6.577 -0.739 -5.371 1.00 75.25 H new ATOM 0 HG21 VAL A 53 4.630 0.600 -3.312 1.00 52.23 H new ATOM 0 HG22 VAL A 53 4.238 -0.930 -4.132 1.00 52.23 H new ATOM 0 HG23 VAL A 53 4.228 -0.845 -2.355 1.00 52.23 H new ATOM 823 N GLN A 54 8.380 -3.756 -3.758 1.00 10.22 N ATOM 824 CA GLN A 54 9.813 -4.115 -3.793 1.00 62.54 C ATOM 825 C GLN A 54 10.619 -2.934 -4.391 1.00 62.14 C ATOM 826 O GLN A 54 10.429 -2.566 -5.551 1.00 65.13 O ATOM 827 CB GLN A 54 10.000 -5.450 -4.591 1.00 11.32 C ATOM 828 CG GLN A 54 11.404 -6.115 -4.525 1.00 10.34 C ATOM 829 CD GLN A 54 12.474 -5.458 -5.413 1.00 22.53 C ATOM 830 OE1 GLN A 54 13.211 -4.584 -4.979 1.00 32.15 O ATOM 831 NE2 GLN A 54 12.546 -5.850 -6.669 1.00 22.12 N ATOM 0 H GLN A 54 7.802 -4.312 -4.388 1.00 10.22 H new ATOM 0 HA GLN A 54 10.194 -4.291 -2.787 1.00 62.54 H new ATOM 0 HB2 GLN A 54 9.266 -6.169 -4.227 1.00 11.32 H new ATOM 0 HB3 GLN A 54 9.765 -5.256 -5.637 1.00 11.32 H new ATOM 0 HG2 GLN A 54 11.750 -6.098 -3.491 1.00 10.34 H new ATOM 0 HG3 GLN A 54 11.308 -7.162 -4.812 1.00 10.34 H new ATOM 0 HE21 GLN A 54 11.922 -6.581 -7.012 1.00 22.12 H new ATOM 0 HE22 GLN A 54 13.225 -5.423 -7.298 1.00 22.12 H new ATOM 840 N GLY A 55 11.511 -2.351 -3.574 1.00 20.33 N ATOM 841 CA GLY A 55 12.250 -1.138 -3.951 1.00 41.04 C ATOM 842 C GLY A 55 11.650 0.127 -3.338 1.00 42.50 C ATOM 843 O GLY A 55 11.498 1.147 -4.016 1.00 65.14 O ATOM 0 H GLY A 55 11.738 -2.703 -2.644 1.00 20.33 H new ATOM 0 HA2 GLY A 55 13.288 -1.235 -3.633 1.00 41.04 H new ATOM 0 HA3 GLY A 55 12.257 -1.044 -5.037 1.00 41.04 H new ATOM 847 N ALA A 56 11.293 0.052 -2.043 1.00 32.51 N ATOM 848 CA ALA A 56 10.818 1.223 -1.271 1.00 61.55 C ATOM 849 C ALA A 56 12.009 2.147 -0.919 1.00 62.33 C ATOM 850 O ALA A 56 12.931 1.711 -0.229 1.00 14.11 O ATOM 851 CB ALA A 56 10.084 0.764 0.001 1.00 33.22 C ATOM 0 H ALA A 56 11.324 -0.813 -1.503 1.00 32.51 H new ATOM 0 HA ALA A 56 10.114 1.788 -1.882 1.00 61.55 H new ATOM 0 HB1 ALA A 56 9.741 1.636 0.558 1.00 33.22 H new ATOM 0 HB2 ALA A 56 9.227 0.150 -0.275 1.00 33.22 H new ATOM 0 HB3 ALA A 56 10.763 0.181 0.623 1.00 33.22 H new ATOM 857 N ARG A 57 11.993 3.409 -1.408 1.00 42.13 N ATOM 858 CA ARG A 57 13.108 4.369 -1.199 1.00 33.23 C ATOM 859 C ARG A 57 12.636 5.838 -1.369 1.00 21.51 C ATOM 860 O ARG A 57 12.294 6.242 -2.481 1.00 74.44 O ATOM 861 CB ARG A 57 14.261 4.062 -2.204 1.00 55.34 C ATOM 862 CG ARG A 57 15.496 4.986 -2.089 1.00 61.01 C ATOM 863 CD ARG A 57 16.562 4.692 -3.162 1.00 42.22 C ATOM 864 NE ARG A 57 16.043 4.892 -4.530 1.00 33.24 N ATOM 865 CZ ARG A 57 16.497 4.307 -5.622 1.00 43.31 C ATOM 866 NH1 ARG A 57 17.463 3.443 -5.579 1.00 1.40 N ATOM 867 NH2 ARG A 57 15.953 4.582 -6.760 1.00 43.05 N ATOM 0 H ARG A 57 11.218 3.789 -1.952 1.00 42.13 H new ATOM 0 HA ARG A 57 13.468 4.251 -0.177 1.00 33.23 H new ATOM 0 HB2 ARG A 57 14.583 3.031 -2.059 1.00 55.34 H new ATOM 0 HB3 ARG A 57 13.867 4.133 -3.218 1.00 55.34 H new ATOM 0 HG2 ARG A 57 15.177 6.025 -2.175 1.00 61.01 H new ATOM 0 HG3 ARG A 57 15.940 4.870 -1.100 1.00 61.01 H new ATOM 0 HD2 ARG A 57 17.424 5.340 -3.003 1.00 42.22 H new ATOM 0 HD3 ARG A 57 16.911 3.665 -3.054 1.00 42.22 H new ATOM 0 HE ARG A 57 15.264 5.541 -4.641 1.00 33.24 H new ATOM 0 HH11 ARG A 57 17.891 3.201 -4.685 1.00 1.40 H new ATOM 0 HH12 ARG A 57 17.795 3.006 -6.439 1.00 1.40 H new ATOM 0 HH21 ARG A 57 15.180 5.246 -6.809 1.00 43.05 H new ATOM 0 HH22 ARG A 57 16.296 4.136 -7.610 1.00 43.05 H new ATOM 881 N SER A 58 12.633 6.614 -0.254 1.00 22.43 N ATOM 882 CA SER A 58 12.321 8.080 -0.219 1.00 55.13 C ATOM 883 C SER A 58 10.964 8.465 -0.878 1.00 74.23 C ATOM 884 O SER A 58 9.975 8.674 -0.176 1.00 41.45 O ATOM 885 CB SER A 58 13.481 8.922 -0.820 1.00 40.25 C ATOM 886 OG SER A 58 14.677 8.769 -0.073 1.00 40.15 O ATOM 0 H SER A 58 12.851 6.237 0.668 1.00 22.43 H new ATOM 0 HA SER A 58 12.216 8.320 0.839 1.00 55.13 H new ATOM 0 HB2 SER A 58 13.655 8.619 -1.853 1.00 40.25 H new ATOM 0 HB3 SER A 58 13.196 9.974 -0.840 1.00 40.25 H new ATOM 0 HG SER A 58 15.387 9.310 -0.478 1.00 40.15 H new ATOM 892 N GLY A 59 10.931 8.535 -2.230 1.00 65.33 N ATOM 893 CA GLY A 59 9.717 8.907 -2.988 1.00 0.45 C ATOM 894 C GLY A 59 8.568 7.882 -2.913 1.00 74.40 C ATOM 895 O GLY A 59 7.440 8.176 -3.330 1.00 12.01 O ATOM 0 H GLY A 59 11.739 8.337 -2.820 1.00 65.33 H new ATOM 0 HA2 GLY A 59 9.354 9.866 -2.618 1.00 0.45 H new ATOM 0 HA3 GLY A 59 9.989 9.051 -4.034 1.00 0.45 H new ATOM 899 N ASP A 60 8.864 6.672 -2.391 1.00 41.40 N ATOM 900 CA ASP A 60 7.842 5.633 -2.096 1.00 12.23 C ATOM 901 C ASP A 60 6.890 6.091 -0.954 1.00 22.42 C ATOM 902 O ASP A 60 5.733 5.651 -0.868 1.00 21.40 O ATOM 903 CB ASP A 60 8.539 4.303 -1.716 1.00 63.53 C ATOM 904 CG ASP A 60 7.574 3.106 -1.682 1.00 44.42 C ATOM 905 OD1 ASP A 60 7.254 2.579 -2.766 1.00 70.30 O ATOM 906 OD2 ASP A 60 7.117 2.710 -0.587 1.00 42.14 O ATOM 0 H ASP A 60 9.815 6.384 -2.161 1.00 41.40 H new ATOM 0 HA ASP A 60 7.240 5.479 -2.991 1.00 12.23 H new ATOM 0 HB2 ASP A 60 9.336 4.100 -2.431 1.00 63.53 H new ATOM 0 HB3 ASP A 60 9.008 4.412 -0.738 1.00 63.53 H new ATOM 911 N ALA A 61 7.404 6.988 -0.090 1.00 43.21 N ATOM 912 CA ALA A 61 6.644 7.602 1.011 1.00 23.21 C ATOM 913 C ALA A 61 5.536 8.523 0.461 1.00 20.51 C ATOM 914 O ALA A 61 5.801 9.668 0.066 1.00 45.24 O ATOM 915 CB ALA A 61 7.590 8.398 1.920 1.00 64.55 C ATOM 0 H ALA A 61 8.371 7.309 -0.140 1.00 43.21 H new ATOM 0 HA ALA A 61 6.174 6.809 1.592 1.00 23.21 H new ATOM 0 HB1 ALA A 61 7.020 8.849 2.732 1.00 64.55 H new ATOM 0 HB2 ALA A 61 8.345 7.730 2.334 1.00 64.55 H new ATOM 0 HB3 ALA A 61 8.078 9.181 1.340 1.00 64.55 H new ATOM 921 N GLY A 62 4.310 8.009 0.437 1.00 3.14 N ATOM 922 CA GLY A 62 3.182 8.729 -0.146 1.00 34.31 C ATOM 923 C GLY A 62 1.825 8.157 0.258 1.00 30.24 C ATOM 924 O GLY A 62 1.744 7.272 1.120 1.00 33.25 O ATOM 0 H GLY A 62 4.072 7.093 0.816 1.00 3.14 H new ATOM 0 HA2 GLY A 62 3.232 9.775 0.157 1.00 34.31 H new ATOM 0 HA3 GLY A 62 3.269 8.707 -1.232 1.00 34.31 H new ATOM 928 N GLU A 63 0.759 8.680 -0.365 1.00 51.23 N ATOM 929 CA GLU A 63 -0.625 8.270 -0.083 1.00 50.44 C ATOM 930 C GLU A 63 -1.016 7.039 -0.929 1.00 65.34 C ATOM 931 O GLU A 63 -1.112 7.112 -2.166 1.00 55.20 O ATOM 932 CB GLU A 63 -1.633 9.424 -0.358 1.00 14.23 C ATOM 933 CG GLU A 63 -1.450 10.703 0.499 1.00 61.01 C ATOM 934 CD GLU A 63 -0.168 11.490 0.182 1.00 31.14 C ATOM 935 OE1 GLU A 63 -0.050 12.015 -0.951 1.00 43.44 O ATOM 936 OE2 GLU A 63 0.738 11.573 1.042 1.00 11.14 O ATOM 0 H GLU A 63 0.833 9.402 -1.082 1.00 51.23 H new ATOM 0 HA GLU A 63 -0.672 8.013 0.975 1.00 50.44 H new ATOM 0 HB2 GLU A 63 -1.560 9.701 -1.410 1.00 14.23 H new ATOM 0 HB3 GLU A 63 -2.642 9.044 -0.198 1.00 14.23 H new ATOM 0 HG2 GLU A 63 -2.311 11.355 0.349 1.00 61.01 H new ATOM 0 HG3 GLU A 63 -1.442 10.424 1.553 1.00 61.01 H new ATOM 943 N TYR A 64 -1.185 5.911 -0.241 1.00 34.31 N ATOM 944 CA TYR A 64 -1.764 4.678 -0.805 1.00 13.12 C ATOM 945 C TYR A 64 -3.263 4.613 -0.463 1.00 0.30 C ATOM 946 O TYR A 64 -3.711 5.262 0.473 1.00 34.31 O ATOM 947 CB TYR A 64 -1.018 3.439 -0.276 1.00 33.01 C ATOM 948 CG TYR A 64 0.441 3.358 -0.743 1.00 45.20 C ATOM 949 CD1 TYR A 64 1.421 4.190 -0.192 1.00 13.51 C ATOM 950 CD2 TYR A 64 0.839 2.459 -1.735 1.00 34.50 C ATOM 951 CE1 TYR A 64 2.731 4.125 -0.608 1.00 35.24 C ATOM 952 CE2 TYR A 64 2.150 2.395 -2.154 1.00 40.34 C ATOM 953 CZ TYR A 64 3.091 3.225 -1.585 1.00 44.12 C ATOM 954 OH TYR A 64 4.391 3.163 -2.015 1.00 24.31 O ATOM 0 H TYR A 64 -0.921 5.820 0.740 1.00 34.31 H new ATOM 0 HA TYR A 64 -1.653 4.690 -1.889 1.00 13.12 H new ATOM 0 HB2 TYR A 64 -1.043 3.448 0.814 1.00 33.01 H new ATOM 0 HB3 TYR A 64 -1.545 2.542 -0.600 1.00 33.01 H new ATOM 0 HD1 TYR A 64 1.144 4.898 0.575 1.00 13.51 H new ATOM 0 HD2 TYR A 64 0.107 1.803 -2.181 1.00 34.50 H new ATOM 0 HE1 TYR A 64 3.473 4.777 -0.170 1.00 35.24 H new ATOM 0 HE2 TYR A 64 2.439 1.697 -2.926 1.00 40.34 H new ATOM 0 HH TYR A 64 4.918 3.854 -1.563 1.00 24.31 H new ATOM 964 N LEU A 65 -4.039 3.863 -1.249 1.00 12.44 N ATOM 965 CA LEU A 65 -5.508 3.836 -1.119 1.00 70.21 C ATOM 966 C LEU A 65 -6.051 2.400 -1.312 1.00 41.22 C ATOM 967 O LEU A 65 -6.148 1.907 -2.436 1.00 12.53 O ATOM 968 CB LEU A 65 -6.122 4.833 -2.144 1.00 5.12 C ATOM 969 CG LEU A 65 -7.678 4.930 -2.197 1.00 10.32 C ATOM 970 CD1 LEU A 65 -8.265 5.298 -0.823 1.00 55.33 C ATOM 971 CD2 LEU A 65 -8.130 5.926 -3.291 1.00 4.53 C ATOM 0 H LEU A 65 -3.677 3.261 -1.988 1.00 12.44 H new ATOM 0 HA LEU A 65 -5.797 4.146 -0.115 1.00 70.21 H new ATOM 0 HB2 LEU A 65 -5.728 5.826 -1.927 1.00 5.12 H new ATOM 0 HB3 LEU A 65 -5.766 4.559 -3.137 1.00 5.12 H new ATOM 0 HG LEU A 65 -8.066 3.946 -2.460 1.00 10.32 H new ATOM 0 HD11 LEU A 65 -9.351 5.357 -0.895 1.00 55.33 H new ATOM 0 HD12 LEU A 65 -7.991 4.535 -0.094 1.00 55.33 H new ATOM 0 HD13 LEU A 65 -7.869 6.263 -0.505 1.00 55.33 H new ATOM 0 HD21 LEU A 65 -9.219 5.977 -3.309 1.00 4.53 H new ATOM 0 HD22 LEU A 65 -7.724 6.914 -3.074 1.00 4.53 H new ATOM 0 HD23 LEU A 65 -7.766 5.590 -4.262 1.00 4.53 H new ATOM 983 N CYS A 66 -6.372 1.737 -0.190 1.00 61.21 N ATOM 984 CA CYS A 66 -7.042 0.425 -0.183 1.00 3.35 C ATOM 985 C CYS A 66 -8.576 0.647 -0.270 1.00 2.44 C ATOM 986 O CYS A 66 -9.258 0.793 0.750 1.00 34.21 O ATOM 987 CB CYS A 66 -6.644 -0.364 1.091 1.00 11.14 C ATOM 988 SG CYS A 66 -7.092 -2.111 1.072 1.00 23.43 S ATOM 0 H CYS A 66 -6.173 2.097 0.743 1.00 61.21 H new ATOM 0 HA CYS A 66 -6.729 -0.168 -1.043 1.00 3.35 H new ATOM 0 HB2 CYS A 66 -5.566 -0.282 1.230 1.00 11.14 H new ATOM 0 HB3 CYS A 66 -7.114 0.107 1.954 1.00 11.14 H new ATOM 0 HG CYS A 66 -6.082 -2.813 0.652 1.00 23.43 H new ATOM 994 N ASP A 67 -9.100 0.694 -1.512 1.00 23.32 N ATOM 995 CA ASP A 67 -10.482 1.147 -1.806 1.00 72.24 C ATOM 996 C ASP A 67 -11.464 -0.037 -2.040 1.00 74.15 C ATOM 997 O ASP A 67 -11.485 -0.647 -3.115 1.00 14.24 O ATOM 998 CB ASP A 67 -10.441 2.099 -3.037 1.00 54.12 C ATOM 999 CG ASP A 67 -11.803 2.742 -3.359 1.00 51.32 C ATOM 1000 OD1 ASP A 67 -12.111 3.820 -2.811 1.00 73.45 O ATOM 1001 OD2 ASP A 67 -12.572 2.172 -4.163 1.00 44.20 O ATOM 0 H ASP A 67 -8.578 0.419 -2.344 1.00 23.32 H new ATOM 0 HA ASP A 67 -10.865 1.680 -0.935 1.00 72.24 H new ATOM 0 HB2 ASP A 67 -9.710 2.887 -2.854 1.00 54.12 H new ATOM 0 HB3 ASP A 67 -10.096 1.541 -3.907 1.00 54.12 H new ATOM 1006 N ALA A 68 -12.248 -0.378 -1.006 1.00 1.22 N ATOM 1007 CA ALA A 68 -13.385 -1.330 -1.114 1.00 13.11 C ATOM 1008 C ALA A 68 -14.649 -0.594 -1.644 1.00 2.45 C ATOM 1009 O ALA A 68 -14.752 0.623 -1.471 1.00 3.32 O ATOM 1010 CB ALA A 68 -13.657 -1.985 0.259 1.00 73.54 C ATOM 0 H ALA A 68 -12.118 -0.005 -0.065 1.00 1.22 H new ATOM 0 HA ALA A 68 -13.129 -2.118 -1.823 1.00 13.11 H new ATOM 0 HB1 ALA A 68 -14.491 -2.681 0.171 1.00 73.54 H new ATOM 0 HB2 ALA A 68 -12.768 -2.524 0.588 1.00 73.54 H new ATOM 0 HB3 ALA A 68 -13.904 -1.213 0.988 1.00 73.54 H new ATOM 1016 N PRO A 69 -15.643 -1.311 -2.287 1.00 72.11 N ATOM 1017 CA PRO A 69 -16.905 -0.682 -2.816 1.00 70.55 C ATOM 1018 C PRO A 69 -17.801 0.035 -1.757 1.00 2.12 C ATOM 1019 O PRO A 69 -18.840 0.598 -2.113 1.00 1.10 O ATOM 1020 CB PRO A 69 -17.661 -1.882 -3.453 1.00 43.21 C ATOM 1021 CG PRO A 69 -16.590 -2.884 -3.752 1.00 41.42 C ATOM 1022 CD PRO A 69 -15.604 -2.759 -2.613 1.00 1.13 C ATOM 0 HA PRO A 69 -16.659 0.128 -3.503 1.00 70.55 H new ATOM 0 HB2 PRO A 69 -18.406 -2.289 -2.770 1.00 43.21 H new ATOM 0 HB3 PRO A 69 -18.189 -1.583 -4.359 1.00 43.21 H new ATOM 0 HG2 PRO A 69 -16.999 -3.893 -3.810 1.00 41.42 H new ATOM 0 HG3 PRO A 69 -16.113 -2.677 -4.710 1.00 41.42 H new ATOM 0 HD2 PRO A 69 -15.895 -3.372 -1.760 1.00 1.13 H new ATOM 0 HD3 PRO A 69 -14.605 -3.078 -2.909 1.00 1.13 H new ATOM 1030 N GLN A 70 -17.406 -0.009 -0.466 1.00 64.23 N ATOM 1031 CA GLN A 70 -18.146 0.643 0.645 1.00 71.54 C ATOM 1032 C GLN A 70 -17.213 1.588 1.462 1.00 54.24 C ATOM 1033 O GLN A 70 -17.608 2.707 1.813 1.00 31.21 O ATOM 1034 CB GLN A 70 -18.806 -0.455 1.541 1.00 31.23 C ATOM 1035 CG GLN A 70 -19.782 0.056 2.648 1.00 34.13 C ATOM 1036 CD GLN A 70 -19.098 0.545 3.939 1.00 13.33 C ATOM 1037 OE1 GLN A 70 -18.042 0.060 4.323 1.00 13.44 O ATOM 1038 NE2 GLN A 70 -19.696 1.501 4.618 1.00 61.54 N ATOM 0 H GLN A 70 -16.564 -0.498 -0.161 1.00 64.23 H new ATOM 0 HA GLN A 70 -18.937 1.271 0.235 1.00 71.54 H new ATOM 0 HB2 GLN A 70 -19.351 -1.143 0.895 1.00 31.23 H new ATOM 0 HB3 GLN A 70 -18.013 -1.028 2.021 1.00 31.23 H new ATOM 0 HG2 GLN A 70 -20.378 0.871 2.238 1.00 34.13 H new ATOM 0 HG3 GLN A 70 -20.473 -0.748 2.902 1.00 34.13 H new ATOM 0 HE21 GLN A 70 -20.576 1.892 4.281 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -19.280 1.851 5.481 1.00 61.54 H new ATOM 1047 N ASP A 71 -15.983 1.132 1.767 1.00 45.54 N ATOM 1048 CA ASP A 71 -15.015 1.901 2.596 1.00 62.31 C ATOM 1049 C ASP A 71 -13.610 1.908 1.954 1.00 74.54 C ATOM 1050 O ASP A 71 -13.214 0.949 1.307 1.00 52.43 O ATOM 1051 CB ASP A 71 -14.942 1.304 4.029 1.00 10.13 C ATOM 1052 CG ASP A 71 -13.928 2.030 4.925 1.00 11.20 C ATOM 1053 OD1 ASP A 71 -14.224 3.161 5.366 1.00 3.33 O ATOM 1054 OD2 ASP A 71 -12.809 1.508 5.136 1.00 74.25 O ATOM 0 H ASP A 71 -15.628 0.229 1.452 1.00 45.54 H new ATOM 0 HA ASP A 71 -15.367 2.931 2.654 1.00 62.31 H new ATOM 0 HB2 ASP A 71 -15.929 1.355 4.490 1.00 10.13 H new ATOM 0 HB3 ASP A 71 -14.674 0.249 3.965 1.00 10.13 H new ATOM 1059 N SER A 72 -12.851 2.990 2.173 1.00 73.24 N ATOM 1060 CA SER A 72 -11.468 3.135 1.672 1.00 41.31 C ATOM 1061 C SER A 72 -10.515 3.568 2.806 1.00 24.14 C ATOM 1062 O SER A 72 -10.831 4.480 3.580 1.00 13.30 O ATOM 1063 CB SER A 72 -11.439 4.168 0.522 1.00 61.13 C ATOM 1064 OG SER A 72 -11.896 5.446 0.940 1.00 60.22 O ATOM 0 H SER A 72 -13.177 3.797 2.705 1.00 73.24 H new ATOM 0 HA SER A 72 -11.128 2.169 1.297 1.00 41.31 H new ATOM 0 HB2 SER A 72 -10.422 4.255 0.139 1.00 61.13 H new ATOM 0 HB3 SER A 72 -12.060 3.812 -0.300 1.00 61.13 H new ATOM 0 HG SER A 72 -11.860 6.069 0.185 1.00 60.22 H new ATOM 1070 N ARG A 73 -9.354 2.896 2.913 1.00 43.22 N ATOM 1071 CA ARG A 73 -8.293 3.259 3.875 1.00 14.22 C ATOM 1072 C ARG A 73 -7.113 3.906 3.137 1.00 41.54 C ATOM 1073 O ARG A 73 -6.564 3.314 2.207 1.00 11.15 O ATOM 1074 CB ARG A 73 -7.780 2.005 4.638 1.00 60.51 C ATOM 1075 CG ARG A 73 -8.815 1.281 5.527 1.00 13.12 C ATOM 1076 CD ARG A 73 -9.383 2.147 6.679 1.00 63.14 C ATOM 1077 NE ARG A 73 -10.496 3.019 6.250 1.00 1.32 N ATOM 1078 CZ ARG A 73 -10.898 4.110 6.862 1.00 24.44 C ATOM 1079 NH1 ARG A 73 -10.261 4.588 7.882 1.00 35.42 N ATOM 1080 NH2 ARG A 73 -11.946 4.722 6.436 1.00 4.10 N ATOM 0 H ARG A 73 -9.124 2.087 2.336 1.00 43.22 H new ATOM 0 HA ARG A 73 -8.718 3.963 4.591 1.00 14.22 H new ATOM 0 HB2 ARG A 73 -7.396 1.292 3.908 1.00 60.51 H new ATOM 0 HB3 ARG A 73 -6.939 2.304 5.264 1.00 60.51 H new ATOM 0 HG2 ARG A 73 -9.641 0.943 4.901 1.00 13.12 H new ATOM 0 HG3 ARG A 73 -8.352 0.390 5.952 1.00 13.12 H new ATOM 0 HD2 ARG A 73 -9.728 1.494 7.481 1.00 63.14 H new ATOM 0 HD3 ARG A 73 -8.584 2.763 7.091 1.00 63.14 H new ATOM 0 HE ARG A 73 -10.997 2.750 5.403 1.00 1.32 H new ATOM 0 HH11 ARG A 73 -9.426 4.116 8.229 1.00 35.42 H new ATOM 0 HH12 ARG A 73 -10.594 5.437 8.339 1.00 35.42 H new ATOM 0 HH21 ARG A 73 -12.456 4.360 5.631 1.00 4.10 H new ATOM 0 HH22 ARG A 73 -12.267 5.570 6.904 1.00 4.10 H new ATOM 1094 N ILE A 74 -6.719 5.115 3.560 1.00 72.40 N ATOM 1095 CA ILE A 74 -5.528 5.796 3.019 1.00 22.04 C ATOM 1096 C ILE A 74 -4.309 5.451 3.906 1.00 25.42 C ATOM 1097 O ILE A 74 -4.344 5.645 5.124 1.00 53.15 O ATOM 1098 CB ILE A 74 -5.714 7.371 2.897 1.00 5.24 C ATOM 1099 CG1 ILE A 74 -6.791 7.754 1.808 1.00 1.21 C ATOM 1100 CG2 ILE A 74 -4.359 8.083 2.592 1.00 23.15 C ATOM 1101 CD1 ILE A 74 -8.236 7.375 2.125 1.00 20.33 C ATOM 0 H ILE A 74 -7.209 5.647 4.279 1.00 72.40 H new ATOM 0 HA ILE A 74 -5.368 5.437 2.003 1.00 22.04 H new ATOM 0 HB ILE A 74 -6.076 7.720 3.864 1.00 5.24 H new ATOM 0 HG12 ILE A 74 -6.747 8.831 1.647 1.00 1.21 H new ATOM 0 HG13 ILE A 74 -6.511 7.279 0.868 1.00 1.21 H new ATOM 0 HG21 ILE A 74 -4.522 9.158 2.515 1.00 23.15 H new ATOM 0 HG22 ILE A 74 -3.652 7.880 3.396 1.00 23.15 H new ATOM 0 HG23 ILE A 74 -3.955 7.709 1.651 1.00 23.15 H new ATOM 0 HD11 ILE A 74 -8.883 7.688 1.305 1.00 20.33 H new ATOM 0 HD12 ILE A 74 -8.309 6.295 2.253 1.00 20.33 H new ATOM 0 HD13 ILE A 74 -8.549 7.871 3.044 1.00 20.33 H new ATOM 1113 N PHE A 75 -3.238 4.936 3.278 1.00 4.35 N ATOM 1114 CA PHE A 75 -1.990 4.580 3.966 1.00 74.10 C ATOM 1115 C PHE A 75 -0.977 5.717 3.798 1.00 72.11 C ATOM 1116 O PHE A 75 -0.370 5.881 2.736 1.00 55.03 O ATOM 1117 CB PHE A 75 -1.416 3.245 3.408 1.00 13.01 C ATOM 1118 CG PHE A 75 -2.204 2.009 3.810 1.00 74.23 C ATOM 1119 CD1 PHE A 75 -3.462 1.750 3.263 1.00 71.40 C ATOM 1120 CD2 PHE A 75 -1.702 1.129 4.768 1.00 32.13 C ATOM 1121 CE1 PHE A 75 -4.183 0.649 3.663 1.00 51.21 C ATOM 1122 CE2 PHE A 75 -2.429 0.032 5.165 1.00 73.31 C ATOM 1123 CZ PHE A 75 -3.666 -0.202 4.616 1.00 13.42 C ATOM 0 H PHE A 75 -3.216 4.755 2.274 1.00 4.35 H new ATOM 0 HA PHE A 75 -2.194 4.436 5.027 1.00 74.10 H new ATOM 0 HB2 PHE A 75 -1.384 3.303 2.320 1.00 13.01 H new ATOM 0 HB3 PHE A 75 -0.388 3.134 3.751 1.00 13.01 H new ATOM 0 HD1 PHE A 75 -3.872 2.419 2.521 1.00 71.40 H new ATOM 0 HD2 PHE A 75 -0.731 1.311 5.203 1.00 32.13 H new ATOM 0 HE1 PHE A 75 -5.153 0.452 3.231 1.00 51.21 H new ATOM 0 HE2 PHE A 75 -2.029 -0.644 5.906 1.00 73.31 H new ATOM 0 HZ PHE A 75 -4.239 -1.061 4.934 1.00 13.42 H new ATOM 1133 N LEU A 76 -0.840 6.514 4.868 1.00 42.01 N ATOM 1134 CA LEU A 76 0.180 7.559 4.967 1.00 22.51 C ATOM 1135 C LEU A 76 1.525 6.883 5.296 1.00 50.42 C ATOM 1136 O LEU A 76 1.829 6.584 6.458 1.00 60.03 O ATOM 1137 CB LEU A 76 -0.229 8.587 6.056 1.00 33.25 C ATOM 1138 CG LEU A 76 -1.618 9.270 5.848 1.00 52.42 C ATOM 1139 CD1 LEU A 76 -1.965 10.199 7.034 1.00 42.34 C ATOM 1140 CD2 LEU A 76 -1.680 10.026 4.494 1.00 33.24 C ATOM 0 H LEU A 76 -1.439 6.448 5.691 1.00 42.01 H new ATOM 0 HA LEU A 76 0.277 8.103 4.027 1.00 22.51 H new ATOM 0 HB2 LEU A 76 -0.232 8.084 7.023 1.00 33.25 H new ATOM 0 HB3 LEU A 76 0.535 9.363 6.103 1.00 33.25 H new ATOM 0 HG LEU A 76 -2.373 8.484 5.814 1.00 52.42 H new ATOM 0 HD11 LEU A 76 -2.937 10.661 6.862 1.00 42.34 H new ATOM 0 HD12 LEU A 76 -1.998 9.617 7.955 1.00 42.34 H new ATOM 0 HD13 LEU A 76 -1.205 10.975 7.123 1.00 42.34 H new ATOM 0 HD21 LEU A 76 -2.660 10.490 4.381 1.00 33.24 H new ATOM 0 HD22 LEU A 76 -0.909 10.796 4.472 1.00 33.24 H new ATOM 0 HD23 LEU A 76 -1.514 9.324 3.677 1.00 33.24 H new ATOM 1152 N VAL A 77 2.278 6.576 4.240 1.00 1.54 N ATOM 1153 CA VAL A 77 3.552 5.852 4.335 1.00 32.44 C ATOM 1154 C VAL A 77 4.730 6.833 4.405 1.00 44.54 C ATOM 1155 O VAL A 77 4.738 7.856 3.714 1.00 3.30 O ATOM 1156 CB VAL A 77 3.709 4.873 3.108 1.00 63.43 C ATOM 1157 CG1 VAL A 77 5.113 4.211 3.047 1.00 23.12 C ATOM 1158 CG2 VAL A 77 2.584 3.803 3.143 1.00 15.30 C ATOM 0 H VAL A 77 2.021 6.824 3.284 1.00 1.54 H new ATOM 0 HA VAL A 77 3.553 5.263 5.252 1.00 32.44 H new ATOM 0 HB VAL A 77 3.613 5.465 2.198 1.00 63.43 H new ATOM 0 HG11 VAL A 77 5.165 3.548 2.184 1.00 23.12 H new ATOM 0 HG12 VAL A 77 5.876 4.984 2.957 1.00 23.12 H new ATOM 0 HG13 VAL A 77 5.284 3.636 3.957 1.00 23.12 H new ATOM 0 HG21 VAL A 77 2.696 3.129 2.294 1.00 15.30 H new ATOM 0 HG22 VAL A 77 2.652 3.233 4.070 1.00 15.30 H new ATOM 0 HG23 VAL A 77 1.613 4.295 3.090 1.00 15.30 H new ATOM 1168 N SER A 78 5.708 6.513 5.267 1.00 72.11 N ATOM 1169 CA SER A 78 6.983 7.251 5.345 1.00 25.55 C ATOM 1170 C SER A 78 8.163 6.257 5.329 1.00 42.21 C ATOM 1171 O SER A 78 8.396 5.520 6.293 1.00 2.45 O ATOM 1172 CB SER A 78 7.012 8.173 6.589 1.00 23.33 C ATOM 1173 OG SER A 78 6.729 7.474 7.785 1.00 21.02 O ATOM 0 H SER A 78 5.640 5.739 5.928 1.00 72.11 H new ATOM 0 HA SER A 78 7.078 7.898 4.473 1.00 25.55 H new ATOM 0 HB2 SER A 78 7.993 8.641 6.668 1.00 23.33 H new ATOM 0 HB3 SER A 78 6.286 8.976 6.460 1.00 23.33 H new ATOM 0 HG SER A 78 6.447 8.109 8.476 1.00 21.02 H new ATOM 1179 N VAL A 79 8.874 6.221 4.192 1.00 62.14 N ATOM 1180 CA VAL A 79 10.068 5.391 4.003 1.00 24.44 C ATOM 1181 C VAL A 79 11.306 6.207 4.426 1.00 71.13 C ATOM 1182 O VAL A 79 11.716 7.136 3.727 1.00 35.13 O ATOM 1183 CB VAL A 79 10.189 4.898 2.510 1.00 4.35 C ATOM 1184 CG1 VAL A 79 11.439 4.009 2.298 1.00 74.44 C ATOM 1185 CG2 VAL A 79 8.893 4.162 2.074 1.00 64.31 C ATOM 0 H VAL A 79 8.631 6.774 3.370 1.00 62.14 H new ATOM 0 HA VAL A 79 9.993 4.498 4.623 1.00 24.44 H new ATOM 0 HB VAL A 79 10.313 5.777 1.878 1.00 4.35 H new ATOM 0 HG11 VAL A 79 11.486 3.690 1.257 1.00 74.44 H new ATOM 0 HG12 VAL A 79 12.336 4.577 2.544 1.00 74.44 H new ATOM 0 HG13 VAL A 79 11.376 3.133 2.943 1.00 74.44 H new ATOM 0 HG21 VAL A 79 8.994 3.829 1.041 1.00 64.31 H new ATOM 0 HG22 VAL A 79 8.730 3.299 2.720 1.00 64.31 H new ATOM 0 HG23 VAL A 79 8.044 4.841 2.155 1.00 64.31 H new ATOM 1195 N GLU A 80 11.882 5.842 5.579 1.00 33.14 N ATOM 1196 CA GLU A 80 12.899 6.650 6.288 1.00 12.42 C ATOM 1197 C GLU A 80 13.889 5.747 7.055 1.00 45.45 C ATOM 1198 O GLU A 80 13.742 4.521 7.048 1.00 10.31 O ATOM 1199 CB GLU A 80 12.185 7.624 7.262 1.00 73.34 C ATOM 1200 CG GLU A 80 11.246 6.926 8.276 1.00 25.22 C ATOM 1201 CD GLU A 80 10.561 7.913 9.230 1.00 23.12 C ATOM 1202 OE1 GLU A 80 11.136 8.224 10.289 1.00 62.41 O ATOM 1203 OE2 GLU A 80 9.467 8.413 8.907 1.00 62.44 O ATOM 0 H GLU A 80 11.657 4.969 6.056 1.00 33.14 H new ATOM 0 HA GLU A 80 13.472 7.220 5.557 1.00 12.42 H new ATOM 0 HB2 GLU A 80 12.938 8.190 7.810 1.00 73.34 H new ATOM 0 HB3 GLU A 80 11.606 8.342 6.682 1.00 73.34 H new ATOM 0 HG2 GLU A 80 10.485 6.365 7.733 1.00 25.22 H new ATOM 0 HG3 GLU A 80 11.819 6.204 8.858 1.00 25.22 H new ATOM 1210 N GLU A 81 14.864 6.389 7.733 1.00 73.13 N ATOM 1211 CA GLU A 81 15.994 5.715 8.417 1.00 51.03 C ATOM 1212 C GLU A 81 16.903 4.979 7.381 1.00 42.31 C ATOM 1213 O GLU A 81 16.670 3.814 7.072 1.00 32.43 O ATOM 1214 CB GLU A 81 15.499 4.770 9.564 1.00 73.41 C ATOM 1215 CG GLU A 81 16.614 4.060 10.367 1.00 52.51 C ATOM 1216 CD GLU A 81 17.636 5.026 10.991 1.00 21.35 C ATOM 1217 OE1 GLU A 81 17.306 5.683 11.999 1.00 41.23 O ATOM 1218 OE2 GLU A 81 18.760 5.157 10.461 1.00 44.04 O ATOM 0 H GLU A 81 14.891 7.405 7.823 1.00 73.13 H new ATOM 0 HA GLU A 81 16.605 6.478 8.900 1.00 51.03 H new ATOM 0 HB2 GLU A 81 14.892 5.354 10.256 1.00 73.41 H new ATOM 0 HB3 GLU A 81 14.847 4.011 9.131 1.00 73.41 H new ATOM 0 HG2 GLU A 81 16.158 3.466 11.159 1.00 52.51 H new ATOM 0 HG3 GLU A 81 17.137 3.366 9.710 1.00 52.51 H new ATOM 1225 N PRO A 82 17.931 5.694 6.795 1.00 11.24 N ATOM 1226 CA PRO A 82 18.822 5.166 5.702 1.00 52.03 C ATOM 1227 C PRO A 82 19.342 3.698 5.896 1.00 34.43 C ATOM 1228 O PRO A 82 18.862 2.790 5.185 1.00 38.34 O ATOM 1229 CB PRO A 82 19.987 6.177 5.708 1.00 15.31 C ATOM 1230 CG PRO A 82 19.354 7.470 6.107 1.00 1.44 C ATOM 1231 CD PRO A 82 18.303 7.099 7.137 1.00 40.03 C ATOM 1232 OXT PRO A 82 20.231 3.462 6.751 1.00 38.34 O ATOM 0 HA PRO A 82 18.277 5.088 4.761 1.00 52.03 H new ATOM 0 HB2 PRO A 82 20.766 5.882 6.411 1.00 15.31 H new ATOM 0 HB3 PRO A 82 20.455 6.250 4.726 1.00 15.31 H new ATOM 0 HG2 PRO A 82 20.090 8.156 6.526 1.00 1.44 H new ATOM 0 HG3 PRO A 82 18.905 7.970 5.249 1.00 1.44 H new ATOM 0 HD2 PRO A 82 18.697 7.171 8.151 1.00 40.03 H new ATOM 0 HD3 PRO A 82 17.441 7.763 7.082 1.00 40.03 H new TER 1240 PRO A 82