USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -164:sc= -0.213 (180deg=-0.736) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.49) USER MOD Single : A 6 HIS : no HD1:sc=-0.00401 X(o=-0.004,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 12 THR OG1 : rot 73:sc= 0.0839 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.12) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 21 SER OG : rot 87:sc= 0.704 USER MOD Single : A 22 MET CE :methyl -147:sc= -0.217 (180deg=-1.19) USER MOD Single : A 24 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0999 X(o=-0.1,f=-0.11) USER MOD Single : A 37 ASN : amide:sc= -0.0443 K(o=-0.044,f=-1.6!) USER MOD Single : A 39 THR OG1 : rot -137:sc= -0.38 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot -66:sc= 0.38 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 8.367 -0.023 1.741 1.00 40.52 N ATOM 2 CA LEU A 1 8.409 1.372 1.316 1.00 11.50 C ATOM 3 C LEU A 1 9.594 1.624 0.390 1.00 42.23 C ATOM 4 O LEU A 1 10.434 2.484 0.658 1.00 62.44 O ATOM 5 CB LEU A 1 8.494 2.295 2.534 1.00 74.44 C ATOM 6 CG LEU A 1 7.567 1.952 3.701 1.00 65.30 C ATOM 7 CD1 LEU A 1 7.981 2.713 4.951 1.00 35.43 C ATOM 8 CD2 LEU A 1 6.121 2.258 3.342 1.00 72.23 C ATOM 0 H1 LEU A 1 7.429 -0.237 2.136 1.00 40.52 H new ATOM 0 H2 LEU A 1 8.548 -0.640 0.924 1.00 40.52 H new ATOM 0 H3 LEU A 1 9.094 -0.187 2.466 1.00 40.52 H new ATOM 0 HA LEU A 1 7.491 1.586 0.768 1.00 11.50 H new ATOM 0 HB2 LEU A 1 9.521 2.289 2.898 1.00 74.44 H new ATOM 0 HB3 LEU A 1 8.276 3.313 2.210 1.00 74.44 H new ATOM 0 HG LEU A 1 7.650 0.885 3.905 1.00 65.30 H new ATOM 0 HD11 LEU A 1 7.311 2.457 5.772 1.00 35.43 H new ATOM 0 HD12 LEU A 1 9.003 2.444 5.219 1.00 35.43 H new ATOM 0 HD13 LEU A 1 7.927 3.785 4.759 1.00 35.43 H new ATOM 0 HD21 LEU A 1 5.476 2.008 4.184 1.00 72.23 H new ATOM 0 HD22 LEU A 1 6.020 3.318 3.110 1.00 72.23 H new ATOM 0 HD23 LEU A 1 5.829 1.668 2.473 1.00 72.23 H new ATOM 20 N LYS A 2 9.655 0.871 -0.703 1.00 21.51 N ATOM 21 CA LYS A 2 10.735 1.013 -1.672 1.00 40.22 C ATOM 22 C LYS A 2 10.192 0.997 -3.098 1.00 3.44 C ATOM 23 O LYS A 2 9.340 0.177 -3.437 1.00 41.33 O ATOM 24 CB LYS A 2 11.760 -0.109 -1.493 1.00 43.31 C ATOM 25 CG LYS A 2 12.775 0.164 -0.396 1.00 34.32 C ATOM 26 CD LYS A 2 13.612 -1.068 -0.092 1.00 15.52 C ATOM 27 CE LYS A 2 15.095 -0.736 -0.051 1.00 25.54 C ATOM 28 NZ LYS A 2 15.582 -0.541 1.343 1.00 14.42 N ATOM 0 H LYS A 2 8.968 0.155 -0.940 1.00 21.51 H new ATOM 0 HA LYS A 2 11.222 1.973 -1.498 1.00 40.22 H new ATOM 0 HB2 LYS A 2 11.235 -1.037 -1.268 1.00 43.31 H new ATOM 0 HB3 LYS A 2 12.287 -0.262 -2.435 1.00 43.31 H new ATOM 0 HG2 LYS A 2 13.428 0.983 -0.698 1.00 34.32 H new ATOM 0 HG3 LYS A 2 12.258 0.486 0.508 1.00 34.32 H new ATOM 0 HD2 LYS A 2 13.306 -1.490 0.865 1.00 15.52 H new ATOM 0 HD3 LYS A 2 13.429 -1.830 -0.850 1.00 15.52 H new ATOM 0 HE2 LYS A 2 15.660 -1.539 -0.524 1.00 25.54 H new ATOM 0 HE3 LYS A 2 15.281 0.168 -0.630 1.00 25.54 H new ATOM 0 HZ1 LYS A 2 16.597 -0.316 1.328 1.00 14.42 H new ATOM 0 HZ2 LYS A 2 15.061 0.242 1.786 1.00 14.42 H new ATOM 0 HZ3 LYS A 2 15.428 -1.412 1.889 1.00 14.42 H new ATOM 42 N GLU A 3 10.693 1.908 -3.927 1.00 32.11 N ATOM 43 CA GLU A 3 10.257 1.997 -5.316 1.00 25.33 C ATOM 44 C GLU A 3 8.741 2.141 -5.402 1.00 73.23 C ATOM 45 O GLU A 3 8.026 1.165 -5.627 1.00 51.20 O ATOM 46 CB GLU A 3 10.708 0.759 -6.095 1.00 4.41 C ATOM 47 CG GLU A 3 12.209 0.523 -6.047 1.00 14.14 C ATOM 48 CD GLU A 3 12.566 -0.950 -5.996 1.00 11.32 C ATOM 49 OE1 GLU A 3 13.501 -1.307 -5.249 1.00 33.33 O ATOM 50 OE2 GLU A 3 11.911 -1.744 -6.703 1.00 25.24 O ATOM 0 H GLU A 3 11.400 2.594 -3.661 1.00 32.11 H new ATOM 0 HA GLU A 3 10.714 2.882 -5.758 1.00 25.33 H new ATOM 0 HB2 GLU A 3 10.198 -0.117 -5.695 1.00 4.41 H new ATOM 0 HB3 GLU A 3 10.398 0.861 -7.135 1.00 4.41 H new ATOM 0 HG2 GLU A 3 12.672 0.975 -6.924 1.00 14.14 H new ATOM 0 HG3 GLU A 3 12.624 1.024 -5.173 1.00 14.14 H new ATOM 57 N ASN A 4 8.257 3.366 -5.221 1.00 64.34 N ATOM 58 CA ASN A 4 6.826 3.638 -5.278 1.00 12.43 C ATOM 59 C ASN A 4 6.564 5.096 -5.644 1.00 72.04 C ATOM 60 O ASN A 4 7.452 5.942 -5.542 1.00 3.03 O ATOM 61 CB ASN A 4 6.170 3.313 -3.934 1.00 3.10 C ATOM 62 CG ASN A 4 5.888 1.832 -3.772 1.00 54.01 C ATOM 63 OD1 ASN A 4 5.065 1.264 -4.490 1.00 71.32 O ATOM 64 ND2 ASN A 4 6.570 1.200 -2.825 1.00 24.32 N ATOM 0 H ASN A 4 8.835 4.185 -5.034 1.00 64.34 H new ATOM 0 HA ASN A 4 6.391 3.003 -6.050 1.00 12.43 H new ATOM 0 HB2 ASN A 4 6.820 3.647 -3.125 1.00 3.10 H new ATOM 0 HB3 ASN A 4 5.237 3.870 -3.844 1.00 3.10 H new ATOM 0 HD21 ASN A 4 6.422 0.203 -2.669 1.00 24.32 H new ATOM 0 HD22 ASN A 4 7.242 1.711 -2.253 1.00 24.32 H new ATOM 71 N ASP A 5 5.339 5.382 -6.072 1.00 32.44 N ATOM 72 CA ASP A 5 4.958 6.737 -6.452 1.00 44.01 C ATOM 73 C ASP A 5 4.013 7.346 -5.421 1.00 63.11 C ATOM 74 O ASP A 5 4.309 8.385 -4.829 1.00 60.34 O ATOM 75 CB ASP A 5 4.297 6.736 -7.831 1.00 35.20 C ATOM 76 CG ASP A 5 5.243 6.288 -8.927 1.00 62.12 C ATOM 77 OD1 ASP A 5 5.363 7.010 -9.940 1.00 22.45 O ATOM 78 OD2 ASP A 5 5.865 5.216 -8.772 1.00 52.24 O ATOM 0 H ASP A 5 4.593 4.693 -6.164 1.00 32.44 H new ATOM 0 HA ASP A 5 5.862 7.344 -6.492 1.00 44.01 H new ATOM 0 HB2 ASP A 5 3.428 6.078 -7.814 1.00 35.20 H new ATOM 0 HB3 ASP A 5 3.933 7.738 -8.057 1.00 35.20 H new ATOM 83 N HIS A 6 2.874 6.693 -5.211 1.00 44.24 N ATOM 84 CA HIS A 6 1.885 7.171 -4.252 1.00 20.31 C ATOM 85 C HIS A 6 2.503 7.326 -2.866 1.00 4.42 C ATOM 86 O HIS A 6 2.057 8.147 -2.065 1.00 40.32 O ATOM 87 CB HIS A 6 0.699 6.208 -4.189 1.00 12.13 C ATOM 88 CG HIS A 6 -0.471 6.748 -3.425 1.00 50.43 C ATOM 89 ND1 HIS A 6 -0.964 6.154 -2.283 1.00 22.30 N ATOM 90 CD2 HIS A 6 -1.246 7.836 -3.645 1.00 43.35 C ATOM 91 CE1 HIS A 6 -1.992 6.851 -1.835 1.00 0.45 C ATOM 92 NE2 HIS A 6 -2.183 7.878 -2.643 1.00 55.02 N ATOM 0 H HIS A 6 2.614 5.832 -5.692 1.00 44.24 H new ATOM 0 HA HIS A 6 1.534 8.148 -4.585 1.00 20.31 H new ATOM 0 HB2 HIS A 6 0.381 5.969 -5.204 1.00 12.13 H new ATOM 0 HB3 HIS A 6 1.023 5.275 -3.729 1.00 12.13 H new ATOM 0 HD2 HIS A 6 -1.146 8.540 -4.458 1.00 43.35 H new ATOM 0 HE1 HIS A 6 -2.577 6.620 -0.957 1.00 0.45 H new ATOM 0 HE2 HIS A 6 -2.909 8.587 -2.539 1.00 55.02 H new ATOM 100 N ALA A 7 3.533 6.532 -2.590 1.00 14.12 N ATOM 101 CA ALA A 7 4.213 6.583 -1.301 1.00 75.25 C ATOM 102 C ALA A 7 4.948 7.906 -1.120 1.00 54.54 C ATOM 103 O ALA A 7 4.689 8.646 -0.170 1.00 65.34 O ATOM 104 CB ALA A 7 5.181 5.417 -1.170 1.00 20.34 C ATOM 0 H ALA A 7 3.915 5.846 -3.241 1.00 14.12 H new ATOM 0 HA ALA A 7 3.460 6.506 -0.517 1.00 75.25 H new ATOM 0 HB1 ALA A 7 5.682 5.467 -0.203 1.00 20.34 H new ATOM 0 HB2 ALA A 7 4.632 4.478 -1.246 1.00 20.34 H new ATOM 0 HB3 ALA A 7 5.923 5.469 -1.966 1.00 20.34 H new ATOM 110 N ARG A 8 5.865 8.199 -2.037 1.00 14.01 N ATOM 111 CA ARG A 8 6.638 9.433 -1.977 1.00 4.14 C ATOM 112 C ARG A 8 5.719 10.651 -1.947 1.00 71.52 C ATOM 113 O ARG A 8 5.917 11.572 -1.155 1.00 34.11 O ATOM 114 CB ARG A 8 7.586 9.525 -3.174 1.00 52.12 C ATOM 115 CG ARG A 8 8.319 10.853 -3.271 1.00 15.35 C ATOM 116 CD ARG A 8 9.817 10.652 -3.437 1.00 14.20 C ATOM 117 NE ARG A 8 10.519 11.916 -3.645 1.00 32.23 N ATOM 118 CZ ARG A 8 11.792 11.997 -4.015 1.00 31.10 C ATOM 119 NH1 ARG A 8 12.498 10.893 -4.217 1.00 44.45 N ATOM 120 NH2 ARG A 8 12.361 13.184 -4.184 1.00 33.31 N ATOM 0 H ARG A 8 6.090 7.598 -2.830 1.00 14.01 H new ATOM 0 HA ARG A 8 7.224 9.420 -1.058 1.00 4.14 H new ATOM 0 HB2 ARG A 8 8.318 8.720 -3.110 1.00 52.12 H new ATOM 0 HB3 ARG A 8 7.017 9.366 -4.090 1.00 52.12 H new ATOM 0 HG2 ARG A 8 7.932 11.423 -4.116 1.00 15.35 H new ATOM 0 HG3 ARG A 8 8.127 11.442 -2.374 1.00 15.35 H new ATOM 0 HD2 ARG A 8 10.217 10.157 -2.552 1.00 14.20 H new ATOM 0 HD3 ARG A 8 10.002 9.991 -4.283 1.00 14.20 H new ATOM 0 HE ARG A 8 10.003 12.784 -3.498 1.00 32.23 H new ATOM 0 HH11 ARG A 8 12.064 9.979 -4.088 1.00 44.45 H new ATOM 0 HH12 ARG A 8 13.475 10.958 -4.501 1.00 44.45 H new ATOM 0 HH21 ARG A 8 11.821 14.035 -4.030 1.00 33.31 H new ATOM 0 HH22 ARG A 8 13.339 13.245 -4.468 1.00 33.31 H new ATOM 134 N PHE A 9 4.714 10.647 -2.816 1.00 54.43 N ATOM 135 CA PHE A 9 3.764 11.752 -2.891 1.00 63.21 C ATOM 136 C PHE A 9 3.102 11.992 -1.538 1.00 13.12 C ATOM 137 O PHE A 9 2.878 13.135 -1.138 1.00 14.35 O ATOM 138 CB PHE A 9 2.698 11.465 -3.950 1.00 72.40 C ATOM 139 CG PHE A 9 2.954 12.152 -5.261 1.00 23.41 C ATOM 140 CD1 PHE A 9 3.098 13.528 -5.320 1.00 53.42 C ATOM 141 CD2 PHE A 9 3.051 11.420 -6.434 1.00 3.51 C ATOM 142 CE1 PHE A 9 3.334 14.164 -6.525 1.00 22.32 C ATOM 143 CE2 PHE A 9 3.288 12.050 -7.641 1.00 40.22 C ATOM 144 CZ PHE A 9 3.428 13.424 -7.687 1.00 24.51 C ATOM 0 H PHE A 9 4.536 9.892 -3.478 1.00 54.43 H new ATOM 0 HA PHE A 9 4.312 12.651 -3.172 1.00 63.21 H new ATOM 0 HB2 PHE A 9 2.644 10.389 -4.117 1.00 72.40 H new ATOM 0 HB3 PHE A 9 1.726 11.778 -3.569 1.00 72.40 H new ATOM 0 HD1 PHE A 9 3.025 14.111 -4.414 1.00 53.42 H new ATOM 0 HD2 PHE A 9 2.940 10.346 -6.404 1.00 3.51 H new ATOM 0 HE1 PHE A 9 3.445 15.238 -6.557 1.00 22.32 H new ATOM 0 HE2 PHE A 9 3.364 11.469 -8.548 1.00 40.22 H new ATOM 0 HZ PHE A 9 3.611 13.918 -8.630 1.00 24.51 H new ATOM 154 N LEU A 10 2.790 10.907 -0.838 1.00 12.13 N ATOM 155 CA LEU A 10 2.152 10.998 0.471 1.00 0.21 C ATOM 156 C LEU A 10 3.127 11.531 1.516 1.00 1.11 C ATOM 157 O LEU A 10 2.794 12.430 2.288 1.00 53.15 O ATOM 158 CB LEU A 10 1.626 9.628 0.900 1.00 34.53 C ATOM 159 CG LEU A 10 0.220 9.606 1.501 1.00 54.51 C ATOM 160 CD1 LEU A 10 -0.767 8.978 0.529 1.00 42.44 C ATOM 161 CD2 LEU A 10 0.217 8.857 2.825 1.00 15.03 C ATOM 0 H LEU A 10 2.968 9.954 -1.155 1.00 12.13 H new ATOM 0 HA LEU A 10 1.316 11.693 0.393 1.00 0.21 H new ATOM 0 HB2 LEU A 10 1.639 8.968 0.032 1.00 34.53 H new ATOM 0 HB3 LEU A 10 2.318 9.208 1.630 1.00 34.53 H new ATOM 0 HG LEU A 10 -0.090 10.634 1.688 1.00 54.51 H new ATOM 0 HD11 LEU A 10 -1.762 8.971 0.974 1.00 42.44 H new ATOM 0 HD12 LEU A 10 -0.787 9.557 -0.394 1.00 42.44 H new ATOM 0 HD13 LEU A 10 -0.461 7.955 0.310 1.00 42.44 H new ATOM 0 HD21 LEU A 10 -0.792 8.852 3.238 1.00 15.03 H new ATOM 0 HD22 LEU A 10 0.548 7.831 2.663 1.00 15.03 H new ATOM 0 HD23 LEU A 10 0.892 9.351 3.524 1.00 15.03 H new ATOM 173 N GLN A 11 4.333 10.972 1.533 1.00 75.40 N ATOM 174 CA GLN A 11 5.356 11.392 2.482 1.00 2.23 C ATOM 175 C GLN A 11 5.572 12.901 2.417 1.00 24.50 C ATOM 176 O GLN A 11 5.956 13.527 3.405 1.00 1.42 O ATOM 177 CB GLN A 11 6.672 10.664 2.202 1.00 32.11 C ATOM 178 CG GLN A 11 6.909 9.466 3.108 1.00 41.31 C ATOM 179 CD GLN A 11 8.381 9.208 3.360 1.00 5.11 C ATOM 180 OE1 GLN A 11 9.223 9.452 2.495 1.00 25.13 O ATOM 181 NE2 GLN A 11 8.700 8.712 4.550 1.00 45.11 N ATOM 0 H GLN A 11 4.625 10.227 0.900 1.00 75.40 H new ATOM 0 HA GLN A 11 5.013 11.135 3.484 1.00 2.23 H new ATOM 0 HB2 GLN A 11 6.680 10.331 1.164 1.00 32.11 H new ATOM 0 HB3 GLN A 11 7.498 11.366 2.318 1.00 32.11 H new ATOM 0 HG2 GLN A 11 6.404 9.630 4.060 1.00 41.31 H new ATOM 0 HG3 GLN A 11 6.461 8.580 2.658 1.00 41.31 H new ATOM 0 HE21 GLN A 11 7.970 8.525 5.237 1.00 45.11 H new ATOM 0 HE22 GLN A 11 9.675 8.518 4.777 1.00 45.11 H new ATOM 190 N THR A 12 5.324 13.479 1.246 1.00 20.00 N ATOM 191 CA THR A 12 5.493 14.913 1.051 1.00 11.40 C ATOM 192 C THR A 12 4.347 15.693 1.685 1.00 54.11 C ATOM 193 O THR A 12 4.565 16.549 2.541 1.00 12.43 O ATOM 194 CB THR A 12 5.577 15.271 -0.445 1.00 34.11 C ATOM 195 OG1 THR A 12 6.742 14.676 -1.026 1.00 44.52 O ATOM 196 CG2 THR A 12 5.620 16.779 -0.639 1.00 54.12 C ATOM 0 H THR A 12 5.005 12.975 0.418 1.00 20.00 H new ATOM 0 HA THR A 12 6.429 15.189 1.536 1.00 11.40 H new ATOM 0 HB THR A 12 4.687 14.883 -0.940 1.00 34.11 H new ATOM 0 HG1 THR A 12 6.606 13.710 -1.115 1.00 44.52 H new ATOM 0 HG21 THR A 12 5.679 17.007 -1.703 1.00 54.12 H new ATOM 0 HG22 THR A 12 4.717 17.225 -0.222 1.00 54.12 H new ATOM 0 HG23 THR A 12 6.494 17.186 -0.131 1.00 54.12 H new ATOM 204 N ALA A 13 3.125 15.391 1.259 1.00 74.40 N ATOM 205 CA ALA A 13 1.943 16.062 1.787 1.00 25.34 C ATOM 206 C ALA A 13 1.907 15.991 3.310 1.00 20.23 C ATOM 207 O ALA A 13 1.481 16.935 3.976 1.00 21.43 O ATOM 208 CB ALA A 13 0.681 15.450 1.198 1.00 0.13 C ATOM 0 H ALA A 13 2.927 14.686 0.549 1.00 74.40 H new ATOM 0 HA ALA A 13 1.992 17.112 1.499 1.00 25.34 H new ATOM 0 HB1 ALA A 13 -0.193 15.961 1.601 1.00 0.13 H new ATOM 0 HB2 ALA A 13 0.696 15.558 0.113 1.00 0.13 H new ATOM 0 HB3 ALA A 13 0.635 14.392 1.457 1.00 0.13 H new ATOM 214 N LYS A 14 2.356 14.866 3.856 1.00 33.33 N ATOM 215 CA LYS A 14 2.375 14.671 5.301 1.00 24.32 C ATOM 216 C LYS A 14 3.552 15.407 5.934 1.00 51.33 C ATOM 217 O LYS A 14 3.453 15.909 7.052 1.00 13.34 O ATOM 218 CB LYS A 14 2.455 13.179 5.634 1.00 4.11 C ATOM 219 CG LYS A 14 1.562 12.765 6.790 1.00 14.23 C ATOM 220 CD LYS A 14 2.152 11.596 7.560 1.00 34.34 C ATOM 221 CE LYS A 14 1.065 10.744 8.200 1.00 43.43 C ATOM 222 NZ LYS A 14 1.634 9.591 8.951 1.00 43.24 N ATOM 0 H LYS A 14 2.712 14.075 3.319 1.00 33.33 H new ATOM 0 HA LYS A 14 1.451 15.080 5.710 1.00 24.32 H new ATOM 0 HB2 LYS A 14 2.181 12.603 4.750 1.00 4.11 H new ATOM 0 HB3 LYS A 14 3.487 12.924 5.874 1.00 4.11 H new ATOM 0 HG2 LYS A 14 1.421 13.611 7.463 1.00 14.23 H new ATOM 0 HG3 LYS A 14 0.577 12.492 6.411 1.00 14.23 H new ATOM 0 HD2 LYS A 14 2.749 10.980 6.888 1.00 34.34 H new ATOM 0 HD3 LYS A 14 2.825 11.970 8.332 1.00 34.34 H new ATOM 0 HE2 LYS A 14 0.471 11.360 8.876 1.00 43.43 H new ATOM 0 HE3 LYS A 14 0.390 10.376 7.427 1.00 43.43 H new ATOM 0 HZ1 LYS A 14 0.862 9.036 9.372 1.00 43.24 H new ATOM 0 HZ2 LYS A 14 2.180 8.989 8.302 1.00 43.24 H new ATOM 0 HZ3 LYS A 14 2.259 9.942 9.705 1.00 43.24 H new ATOM 236 N ASN A 15 4.664 15.469 5.209 1.00 63.10 N ATOM 237 CA ASN A 15 5.860 16.145 5.700 1.00 54.44 C ATOM 238 C ASN A 15 5.654 17.657 5.732 1.00 23.24 C ATOM 239 O ASN A 15 6.380 18.377 6.419 1.00 40.03 O ATOM 240 CB ASN A 15 7.063 15.802 4.819 1.00 31.23 C ATOM 241 CG ASN A 15 8.301 16.592 5.198 1.00 33.00 C ATOM 242 OD1 ASN A 15 9.045 16.206 6.099 1.00 2.24 O ATOM 243 ND2 ASN A 15 8.526 17.705 4.509 1.00 32.31 N ATOM 0 H ASN A 15 4.762 15.060 4.280 1.00 63.10 H new ATOM 0 HA ASN A 15 6.052 15.800 6.716 1.00 54.44 H new ATOM 0 HB2 ASN A 15 7.277 14.736 4.899 1.00 31.23 H new ATOM 0 HB3 ASN A 15 6.814 15.999 3.776 1.00 31.23 H new ATOM 0 HD21 ASN A 15 9.343 18.278 4.719 1.00 32.31 H new ATOM 0 HD22 ASN A 15 7.882 17.986 3.770 1.00 32.31 H new ATOM 250 N ILE A 16 4.661 18.130 4.987 1.00 63.21 N ATOM 251 CA ILE A 16 4.360 19.555 4.932 1.00 33.22 C ATOM 252 C ILE A 16 3.531 19.988 6.137 1.00 4.00 C ATOM 253 O ILE A 16 3.847 20.977 6.799 1.00 3.31 O ATOM 254 CB ILE A 16 3.600 19.920 3.643 1.00 4.42 C ATOM 255 CG1 ILE A 16 4.435 19.556 2.413 1.00 15.32 C ATOM 256 CG2 ILE A 16 3.253 21.402 3.635 1.00 63.31 C ATOM 257 CD1 ILE A 16 3.605 19.093 1.236 1.00 21.22 C ATOM 0 H ILE A 16 4.051 17.547 4.413 1.00 63.21 H new ATOM 0 HA ILE A 16 5.315 20.080 4.943 1.00 33.22 H new ATOM 0 HB ILE A 16 2.672 19.349 3.611 1.00 4.42 H new ATOM 0 HG12 ILE A 16 5.024 20.423 2.114 1.00 15.32 H new ATOM 0 HG13 ILE A 16 5.140 18.770 2.682 1.00 15.32 H new ATOM 0 HG21 ILE A 16 2.716 21.645 2.718 1.00 63.31 H new ATOM 0 HG22 ILE A 16 2.625 21.633 4.495 1.00 63.31 H new ATOM 0 HG23 ILE A 16 4.169 21.990 3.686 1.00 63.31 H new ATOM 0 HD11 ILE A 16 4.262 18.852 0.400 1.00 21.22 H new ATOM 0 HD12 ILE A 16 3.036 18.207 1.518 1.00 21.22 H new ATOM 0 HD13 ILE A 16 2.918 19.886 0.941 1.00 21.22 H new ATOM 269 N THR A 17 2.469 19.240 6.418 1.00 22.42 N ATOM 270 CA THR A 17 1.595 19.545 7.544 1.00 42.13 C ATOM 271 C THR A 17 2.223 19.108 8.862 1.00 22.30 C ATOM 272 O THR A 17 1.828 19.571 9.931 1.00 21.34 O ATOM 273 CB THR A 17 0.223 18.863 7.391 1.00 73.34 C ATOM 274 OG1 THR A 17 -0.010 18.533 6.017 1.00 61.03 O ATOM 275 CG2 THR A 17 -0.891 19.768 7.896 1.00 61.42 C ATOM 0 H THR A 17 2.193 18.418 5.881 1.00 22.42 H new ATOM 0 HA THR A 17 1.456 20.626 7.552 1.00 42.13 H new ATOM 0 HB THR A 17 0.227 17.951 7.988 1.00 73.34 H new ATOM 0 HG1 THR A 17 -0.884 18.098 5.929 1.00 61.03 H new ATOM 0 HG21 THR A 17 -1.851 19.265 7.778 1.00 61.42 H new ATOM 0 HG22 THR A 17 -0.727 19.993 8.950 1.00 61.42 H new ATOM 0 HG23 THR A 17 -0.895 20.695 7.323 1.00 61.42 H new ATOM 283 N GLU A 18 3.204 18.214 8.778 1.00 74.25 N ATOM 284 CA GLU A 18 3.886 17.715 9.966 1.00 73.53 C ATOM 285 C GLU A 18 4.974 18.685 10.416 1.00 30.23 C ATOM 286 O GLU A 18 5.245 18.819 11.610 1.00 42.14 O ATOM 287 CB GLU A 18 4.496 16.339 9.690 1.00 30.32 C ATOM 288 CG GLU A 18 5.219 15.743 10.887 1.00 74.23 C ATOM 289 CD GLU A 18 4.854 14.290 11.124 1.00 1.23 C ATOM 290 OE1 GLU A 18 5.133 13.456 10.237 1.00 10.51 O ATOM 291 OE2 GLU A 18 4.290 13.987 12.196 1.00 2.13 O ATOM 0 H GLU A 18 3.544 17.821 7.900 1.00 74.25 H new ATOM 0 HA GLU A 18 3.151 17.625 10.766 1.00 73.53 H new ATOM 0 HB2 GLU A 18 3.706 15.657 9.377 1.00 30.32 H new ATOM 0 HB3 GLU A 18 5.195 16.421 8.858 1.00 30.32 H new ATOM 0 HG2 GLU A 18 6.295 15.823 10.734 1.00 74.23 H new ATOM 0 HG3 GLU A 18 4.980 16.324 11.778 1.00 74.23 H new ATOM 298 N ARG A 19 5.594 19.358 9.453 1.00 41.12 N ATOM 299 CA ARG A 19 6.654 20.314 9.749 1.00 12.44 C ATOM 300 C ARG A 19 6.075 21.614 10.302 1.00 72.34 C ATOM 301 O ARG A 19 6.684 22.266 11.149 1.00 10.42 O ATOM 302 CB ARG A 19 7.475 20.604 8.492 1.00 65.32 C ATOM 303 CG ARG A 19 8.890 21.077 8.784 1.00 61.30 C ATOM 304 CD ARG A 19 9.217 22.355 8.028 1.00 2.25 C ATOM 305 NE ARG A 19 10.567 22.832 8.319 1.00 53.34 N ATOM 306 CZ ARG A 19 11.193 23.752 7.593 1.00 13.42 C ATOM 307 NH1 ARG A 19 10.594 24.292 6.541 1.00 73.15 N ATOM 308 NH2 ARG A 19 12.420 24.135 7.921 1.00 63.14 N ATOM 0 H ARG A 19 5.381 19.259 8.461 1.00 41.12 H new ATOM 0 HA ARG A 19 7.304 19.874 10.506 1.00 12.44 H new ATOM 0 HB2 ARG A 19 7.521 19.702 7.882 1.00 65.32 H new ATOM 0 HB3 ARG A 19 6.962 21.362 7.900 1.00 65.32 H new ATOM 0 HG2 ARG A 19 9.004 21.247 9.855 1.00 61.30 H new ATOM 0 HG3 ARG A 19 9.600 20.297 8.507 1.00 61.30 H new ATOM 0 HD2 ARG A 19 9.118 22.178 6.957 1.00 2.25 H new ATOM 0 HD3 ARG A 19 8.495 23.127 8.292 1.00 2.25 H new ATOM 0 HE ARG A 19 11.055 22.437 9.123 1.00 53.34 H new ATOM 0 HH11 ARG A 19 9.650 24.001 6.287 1.00 73.15 H new ATOM 0 HH12 ARG A 19 11.077 24.998 5.986 1.00 73.15 H new ATOM 0 HH21 ARG A 19 12.883 23.723 8.731 1.00 63.14 H new ATOM 0 HH22 ARG A 19 12.900 24.841 7.363 1.00 63.14 H new ATOM 322 N VAL A 20 4.894 21.984 9.815 1.00 64.42 N ATOM 323 CA VAL A 20 4.232 23.204 10.260 1.00 45.24 C ATOM 324 C VAL A 20 3.709 23.058 11.684 1.00 24.21 C ATOM 325 O VAL A 20 3.747 24.004 12.470 1.00 14.23 O ATOM 326 CB VAL A 20 3.062 23.579 9.331 1.00 64.43 C ATOM 327 CG1 VAL A 20 2.043 22.451 9.275 1.00 15.43 C ATOM 328 CG2 VAL A 20 2.412 24.875 9.790 1.00 61.03 C ATOM 0 H VAL A 20 4.377 21.456 9.112 1.00 64.42 H new ATOM 0 HA VAL A 20 4.979 23.998 10.230 1.00 45.24 H new ATOM 0 HB VAL A 20 3.453 23.733 8.325 1.00 64.43 H new ATOM 0 HG11 VAL A 20 1.224 22.733 8.614 1.00 15.43 H new ATOM 0 HG12 VAL A 20 2.521 21.548 8.895 1.00 15.43 H new ATOM 0 HG13 VAL A 20 1.654 22.262 10.275 1.00 15.43 H new ATOM 0 HG21 VAL A 20 1.587 25.125 9.122 1.00 61.03 H new ATOM 0 HG22 VAL A 20 2.033 24.753 10.805 1.00 61.03 H new ATOM 0 HG23 VAL A 20 3.149 25.678 9.772 1.00 61.03 H new ATOM 338 N SER A 21 3.222 21.865 12.010 1.00 23.22 N ATOM 339 CA SER A 21 2.688 21.595 13.340 1.00 61.32 C ATOM 340 C SER A 21 3.791 21.661 14.392 1.00 13.42 C ATOM 341 O SER A 21 3.707 22.434 15.347 1.00 73.35 O ATOM 342 CB SER A 21 2.018 20.220 13.374 1.00 73.15 C ATOM 343 OG SER A 21 0.838 20.208 12.589 1.00 53.41 O ATOM 0 H SER A 21 3.186 21.070 11.372 1.00 23.22 H new ATOM 0 HA SER A 21 1.945 22.359 13.568 1.00 61.32 H new ATOM 0 HB2 SER A 21 2.712 19.465 13.005 1.00 73.15 H new ATOM 0 HB3 SER A 21 1.776 19.955 14.403 1.00 73.15 H new ATOM 0 HG SER A 21 1.066 20.001 11.659 1.00 53.41 H new ATOM 349 N MET A 22 4.824 20.846 14.210 1.00 70.31 N ATOM 350 CA MET A 22 5.945 20.812 15.143 1.00 55.34 C ATOM 351 C MET A 22 6.597 22.186 15.258 1.00 14.44 C ATOM 352 O MET A 22 7.156 22.532 16.298 1.00 3.42 O ATOM 353 CB MET A 22 6.980 19.780 14.692 1.00 31.14 C ATOM 354 CG MET A 22 7.512 18.918 15.826 1.00 12.42 C ATOM 355 SD MET A 22 7.397 17.154 15.471 1.00 15.32 S ATOM 356 CE MET A 22 5.644 16.989 15.141 1.00 11.31 C ATOM 0 H MET A 22 4.909 20.200 13.425 1.00 70.31 H new ATOM 0 HA MET A 22 5.562 20.527 16.123 1.00 55.34 H new ATOM 0 HB2 MET A 22 6.533 19.135 13.935 1.00 31.14 H new ATOM 0 HB3 MET A 22 7.814 20.297 14.217 1.00 31.14 H new ATOM 0 HG2 MET A 22 8.553 19.179 16.018 1.00 12.42 H new ATOM 0 HG3 MET A 22 6.955 19.138 16.737 1.00 12.42 H new ATOM 0 HE1 MET A 22 5.302 16.009 15.474 1.00 11.31 H new ATOM 0 HE2 MET A 22 5.098 17.766 15.677 1.00 11.31 H new ATOM 0 HE3 MET A 22 5.464 17.092 14.071 1.00 11.31 H new ATOM 366 N ALA A 23 6.520 22.965 14.184 1.00 4.10 N ATOM 367 CA ALA A 23 7.102 24.302 14.167 1.00 73.45 C ATOM 368 C ALA A 23 6.331 25.248 15.081 1.00 72.40 C ATOM 369 O ALA A 23 6.878 25.775 16.050 1.00 40.52 O ATOM 370 CB ALA A 23 7.132 24.845 12.746 1.00 53.51 C ATOM 0 H ALA A 23 6.061 22.694 13.315 1.00 4.10 H new ATOM 0 HA ALA A 23 8.124 24.232 14.540 1.00 73.45 H new ATOM 0 HB1 ALA A 23 7.569 25.844 12.747 1.00 53.51 H new ATOM 0 HB2 ALA A 23 7.732 24.187 12.118 1.00 53.51 H new ATOM 0 HB3 ALA A 23 6.116 24.894 12.354 1.00 53.51 H new ATOM 376 N THR A 24 5.056 25.459 14.767 1.00 3.11 N ATOM 377 CA THR A 24 4.211 26.343 15.559 1.00 13.13 C ATOM 378 C THR A 24 4.228 25.947 17.031 1.00 34.22 C ATOM 379 O THR A 24 4.270 26.803 17.914 1.00 44.22 O ATOM 380 CB THR A 24 2.756 26.331 15.053 1.00 51.40 C ATOM 381 OG1 THR A 24 2.727 26.038 13.652 1.00 63.42 O ATOM 382 CG2 THR A 24 2.083 27.671 15.309 1.00 0.42 C ATOM 0 H THR A 24 4.587 25.029 13.970 1.00 3.11 H new ATOM 0 HA THR A 24 4.617 27.349 15.451 1.00 13.13 H new ATOM 0 HB THR A 24 2.212 25.559 15.597 1.00 51.40 H new ATOM 0 HG1 THR A 24 2.819 25.072 13.518 1.00 63.42 H new ATOM 0 HG21 THR A 24 1.057 27.638 14.943 1.00 0.42 H new ATOM 0 HG22 THR A 24 2.081 27.878 16.379 1.00 0.42 H new ATOM 0 HG23 THR A 24 2.629 28.458 14.788 1.00 0.42 H new ATOM 390 N ALA A 25 4.194 24.643 17.289 1.00 45.43 N ATOM 391 CA ALA A 25 4.209 24.134 18.654 1.00 31.13 C ATOM 392 C ALA A 25 5.451 24.605 19.403 1.00 63.43 C ATOM 393 O ALA A 25 5.400 24.871 20.603 1.00 4.44 O ATOM 394 CB ALA A 25 4.136 22.614 18.651 1.00 4.13 C ATOM 0 H ALA A 25 4.156 23.921 16.570 1.00 45.43 H new ATOM 0 HA ALA A 25 3.334 24.528 19.172 1.00 31.13 H new ATOM 0 HB1 ALA A 25 4.148 22.247 19.677 1.00 4.13 H new ATOM 0 HB2 ALA A 25 3.215 22.295 18.162 1.00 4.13 H new ATOM 0 HB3 ALA A 25 4.992 22.210 18.111 1.00 4.13 H new ATOM 400 N SER A 26 6.566 24.704 18.686 1.00 63.10 N ATOM 401 CA SER A 26 7.823 25.138 19.284 1.00 43.21 C ATOM 402 C SER A 26 8.088 26.611 18.984 1.00 74.54 C ATOM 403 O SER A 26 9.148 27.142 19.312 1.00 24.30 O ATOM 404 CB SER A 26 8.982 24.284 18.765 1.00 55.24 C ATOM 405 OG SER A 26 9.579 23.543 19.814 1.00 32.50 O ATOM 0 H SER A 26 6.624 24.490 17.691 1.00 63.10 H new ATOM 0 HA SER A 26 7.744 25.013 20.364 1.00 43.21 H new ATOM 0 HB2 SER A 26 8.620 23.603 17.995 1.00 55.24 H new ATOM 0 HB3 SER A 26 9.729 24.925 18.297 1.00 55.24 H new ATOM 0 HG SER A 26 10.315 23.004 19.456 1.00 32.50 H new ATOM 411 N SER A 27 7.115 27.264 18.357 1.00 55.11 N ATOM 412 CA SER A 27 7.242 28.674 18.008 1.00 42.20 C ATOM 413 C SER A 27 6.521 29.553 19.026 1.00 61.05 C ATOM 414 O SER A 27 6.970 30.655 19.337 1.00 3.51 O ATOM 415 CB SER A 27 6.679 28.928 16.608 1.00 22.03 C ATOM 416 OG SER A 27 7.666 29.479 15.754 1.00 64.33 O ATOM 0 H SER A 27 6.230 26.839 18.080 1.00 55.11 H new ATOM 0 HA SER A 27 8.301 28.931 18.018 1.00 42.20 H new ATOM 0 HB2 SER A 27 6.309 27.993 16.186 1.00 22.03 H new ATOM 0 HB3 SER A 27 5.829 29.607 16.672 1.00 22.03 H new ATOM 0 HG SER A 27 7.282 29.630 14.865 1.00 64.33 H new ATOM 422 N GLN A 28 5.401 29.055 19.539 1.00 54.40 N ATOM 423 CA GLN A 28 4.616 29.795 20.521 1.00 45.22 C ATOM 424 C GLN A 28 4.270 28.914 21.717 1.00 42.24 C ATOM 425 O GLN A 28 4.923 28.979 22.758 1.00 13.45 O ATOM 426 CB GLN A 28 3.336 30.333 19.881 1.00 55.42 C ATOM 427 CG GLN A 28 3.483 31.734 19.309 1.00 1.34 C ATOM 428 CD GLN A 28 2.264 32.175 18.524 1.00 51.53 C ATOM 429 OE1 GLN A 28 1.450 32.962 19.008 1.00 2.53 O ATOM 430 NE2 GLN A 28 2.131 31.670 17.303 1.00 20.21 N ATOM 0 H GLN A 28 5.017 28.143 19.292 1.00 54.40 H new ATOM 0 HA GLN A 28 5.217 30.633 20.873 1.00 45.22 H new ATOM 0 HB2 GLN A 28 3.025 29.656 19.085 1.00 55.42 H new ATOM 0 HB3 GLN A 28 2.541 30.336 20.626 1.00 55.42 H new ATOM 0 HG2 GLN A 28 3.661 32.438 20.122 1.00 1.34 H new ATOM 0 HG3 GLN A 28 4.359 31.768 18.661 1.00 1.34 H new ATOM 0 HE21 GLN A 28 2.829 31.021 16.941 1.00 20.21 H new ATOM 0 HE22 GLN A 28 1.331 31.931 16.727 1.00 20.21 H new ATOM 439 N VAL A 29 3.239 28.091 21.560 1.00 73.54 N ATOM 440 CA VAL A 29 2.806 27.196 22.626 1.00 31.41 C ATOM 441 C VAL A 29 1.774 26.195 22.119 1.00 61.44 C ATOM 442 O VAL A 29 1.775 25.029 22.518 1.00 52.24 O ATOM 443 CB VAL A 29 2.206 27.980 23.808 1.00 31.11 C ATOM 444 CG1 VAL A 29 3.243 28.169 24.905 1.00 73.10 C ATOM 445 CG2 VAL A 29 1.665 29.322 23.337 1.00 25.41 C ATOM 0 H VAL A 29 2.688 28.025 20.704 1.00 73.54 H new ATOM 0 HA VAL A 29 3.691 26.659 22.967 1.00 31.41 H new ATOM 0 HB VAL A 29 1.377 27.404 24.220 1.00 31.11 H new ATOM 0 HG11 VAL A 29 2.801 28.725 25.732 1.00 73.10 H new ATOM 0 HG12 VAL A 29 3.578 27.195 25.261 1.00 73.10 H new ATOM 0 HG13 VAL A 29 4.094 28.723 24.509 1.00 73.10 H new ATOM 0 HG21 VAL A 29 1.245 29.863 24.185 1.00 25.41 H new ATOM 0 HG22 VAL A 29 2.474 29.907 22.898 1.00 25.41 H new ATOM 0 HG23 VAL A 29 0.888 29.159 22.590 1.00 25.41 H new ATOM 455 N LEU A 30 0.895 26.656 21.236 1.00 32.12 N ATOM 456 CA LEU A 30 -0.144 25.801 20.672 1.00 22.42 C ATOM 457 C LEU A 30 -1.121 25.346 21.752 1.00 43.21 C ATOM 458 O LEU A 30 -1.100 24.190 22.174 1.00 31.33 O ATOM 459 CB LEU A 30 0.484 24.583 19.992 1.00 43.24 C ATOM 460 CG LEU A 30 -0.311 23.976 18.835 1.00 3.21 C ATOM 461 CD1 LEU A 30 0.409 24.205 17.515 1.00 73.41 C ATOM 462 CD2 LEU A 30 -0.542 22.490 19.069 1.00 42.34 C ATOM 0 H LEU A 30 0.881 27.617 20.895 1.00 32.12 H new ATOM 0 HA LEU A 30 -0.694 26.381 19.931 1.00 22.42 H new ATOM 0 HB2 LEU A 30 1.469 24.867 19.620 1.00 43.24 H new ATOM 0 HB3 LEU A 30 0.638 23.810 20.745 1.00 43.24 H new ATOM 0 HG LEU A 30 -1.281 24.471 18.786 1.00 3.21 H new ATOM 0 HD11 LEU A 30 -0.171 23.766 16.703 1.00 73.41 H new ATOM 0 HD12 LEU A 30 0.522 25.275 17.343 1.00 73.41 H new ATOM 0 HD13 LEU A 30 1.393 23.738 17.551 1.00 73.41 H new ATOM 0 HD21 LEU A 30 -1.109 22.074 18.236 1.00 42.34 H new ATOM 0 HD22 LEU A 30 0.418 21.980 19.145 1.00 42.34 H new ATOM 0 HD23 LEU A 30 -1.101 22.350 19.994 1.00 42.34 H new ATOM 474 N ILE A 31 -1.976 26.263 22.192 1.00 22.25 N ATOM 475 CA ILE A 31 -2.963 25.955 23.220 1.00 25.12 C ATOM 476 C ILE A 31 -4.182 26.863 23.102 1.00 45.43 C ATOM 477 O ILE A 31 -4.112 27.970 22.566 1.00 13.05 O ATOM 478 CB ILE A 31 -2.366 26.096 24.633 1.00 15.22 C ATOM 479 CG1 ILE A 31 -1.573 27.400 24.748 1.00 75.40 C ATOM 480 CG2 ILE A 31 -1.482 24.901 24.957 1.00 41.42 C ATOM 481 CD1 ILE A 31 -1.904 28.201 25.987 1.00 15.24 C ATOM 0 H ILE A 31 -2.005 27.225 21.853 1.00 22.25 H new ATOM 0 HA ILE A 31 -3.268 24.920 23.065 1.00 25.12 H new ATOM 0 HB ILE A 31 -3.182 26.125 25.355 1.00 15.22 H new ATOM 0 HG12 ILE A 31 -0.508 27.169 24.748 1.00 75.40 H new ATOM 0 HG13 ILE A 31 -1.766 28.012 23.867 1.00 75.40 H new ATOM 0 HG21 ILE A 31 -1.068 25.016 25.959 1.00 41.42 H new ATOM 0 HG22 ILE A 31 -2.075 23.987 24.912 1.00 41.42 H new ATOM 0 HG23 ILE A 31 -0.669 24.843 24.233 1.00 41.42 H new ATOM 0 HD11 ILE A 31 -1.305 29.111 26.002 1.00 15.24 H new ATOM 0 HD12 ILE A 31 -2.962 28.463 25.979 1.00 15.24 H new ATOM 0 HD13 ILE A 31 -1.684 27.607 26.874 1.00 15.24 H new ATOM 493 N PRO A 32 -5.326 26.388 23.614 1.00 31.33 N ATOM 494 CA PRO A 32 -6.583 27.142 23.580 1.00 5.13 C ATOM 495 C PRO A 32 -6.557 28.353 24.507 1.00 43.14 C ATOM 496 O PRO A 32 -7.074 28.303 25.622 1.00 53.42 O ATOM 497 CB PRO A 32 -7.620 26.124 24.060 1.00 54.33 C ATOM 498 CG PRO A 32 -6.848 25.158 24.889 1.00 30.35 C ATOM 499 CD PRO A 32 -5.482 25.077 24.267 1.00 63.11 C ATOM 0 HA PRO A 32 -6.789 27.546 22.589 1.00 5.13 H new ATOM 0 HB2 PRO A 32 -8.406 26.605 24.642 1.00 54.33 H new ATOM 0 HB3 PRO A 32 -8.104 25.626 23.220 1.00 54.33 H new ATOM 0 HG2 PRO A 32 -6.786 25.494 25.924 1.00 30.35 H new ATOM 0 HG3 PRO A 32 -7.330 24.181 24.900 1.00 30.35 H new ATOM 0 HD2 PRO A 32 -4.709 24.907 25.016 1.00 63.11 H new ATOM 0 HD3 PRO A 32 -5.415 24.260 23.549 1.00 63.11 H new ATOM 507 N GLU A 33 -5.951 29.439 24.036 1.00 14.35 N ATOM 508 CA GLU A 33 -5.859 30.663 24.824 1.00 23.24 C ATOM 509 C GLU A 33 -7.064 31.565 24.572 1.00 24.35 C ATOM 510 O GLU A 33 -7.959 31.671 25.411 1.00 4.05 O ATOM 511 CB GLU A 33 -4.568 31.413 24.492 1.00 45.42 C ATOM 512 CG GLU A 33 -3.532 31.366 25.603 1.00 72.31 C ATOM 513 CD GLU A 33 -3.673 32.515 26.581 1.00 12.54 C ATOM 514 OE1 GLU A 33 -3.455 32.294 27.791 1.00 11.21 O ATOM 515 OE2 GLU A 33 -4.002 33.636 26.138 1.00 24.32 O ATOM 0 H GLU A 33 -5.517 29.496 23.115 1.00 14.35 H new ATOM 0 HA GLU A 33 -5.849 30.386 25.878 1.00 23.24 H new ATOM 0 HB2 GLU A 33 -4.135 30.990 23.585 1.00 45.42 H new ATOM 0 HB3 GLU A 33 -4.808 32.454 24.275 1.00 45.42 H new ATOM 0 HG2 GLU A 33 -3.624 30.423 26.141 1.00 72.31 H new ATOM 0 HG3 GLU A 33 -2.534 31.387 25.165 1.00 72.31 H new ATOM 522 N ILE A 34 -7.078 32.212 23.412 1.00 12.12 N ATOM 523 CA ILE A 34 -8.172 33.104 23.050 1.00 54.25 C ATOM 524 C ILE A 34 -7.979 33.669 21.646 1.00 31.13 C ATOM 525 O ILE A 34 -8.938 33.826 20.892 1.00 11.21 O ATOM 526 CB ILE A 34 -8.302 34.271 24.047 1.00 60.42 C ATOM 527 CG1 ILE A 34 -9.431 35.211 23.621 1.00 40.41 C ATOM 528 CG2 ILE A 34 -6.986 35.027 24.151 1.00 30.12 C ATOM 529 CD1 ILE A 34 -9.631 36.380 24.561 1.00 70.42 C ATOM 0 H ILE A 34 -6.345 32.135 22.707 1.00 12.12 H new ATOM 0 HA ILE A 34 -9.085 32.510 23.078 1.00 54.25 H new ATOM 0 HB ILE A 34 -8.544 33.866 25.029 1.00 60.42 H new ATOM 0 HG12 ILE A 34 -9.219 35.591 22.622 1.00 40.41 H new ATOM 0 HG13 ILE A 34 -10.360 34.644 23.556 1.00 40.41 H new ATOM 0 HG21 ILE A 34 -7.093 35.849 24.859 1.00 30.12 H new ATOM 0 HG22 ILE A 34 -6.204 34.351 24.496 1.00 30.12 H new ATOM 0 HG23 ILE A 34 -6.716 35.424 23.172 1.00 30.12 H new ATOM 0 HD11 ILE A 34 -10.447 37.004 24.197 1.00 70.42 H new ATOM 0 HD12 ILE A 34 -9.874 36.009 25.557 1.00 70.42 H new ATOM 0 HD13 ILE A 34 -8.716 36.970 24.607 1.00 70.42 H new ATOM 541 N ASN A 35 -6.731 33.971 21.302 1.00 31.45 N ATOM 542 CA ASN A 35 -6.411 34.517 19.989 1.00 71.24 C ATOM 543 C ASN A 35 -5.330 33.687 19.303 1.00 31.20 C ATOM 544 O ASN A 35 -4.490 34.220 18.576 1.00 33.43 O ATOM 545 CB ASN A 35 -5.950 35.970 20.116 1.00 10.21 C ATOM 546 CG ASN A 35 -6.071 36.732 18.810 1.00 33.23 C ATOM 547 OD1 ASN A 35 -5.069 37.055 18.172 1.00 15.53 O ATOM 548 ND2 ASN A 35 -7.303 37.022 18.407 1.00 22.00 N ATOM 0 H ASN A 35 -5.925 33.847 21.915 1.00 31.45 H new ATOM 0 HA ASN A 35 -7.314 34.481 19.379 1.00 71.24 H new ATOM 0 HB2 ASN A 35 -6.543 36.471 20.882 1.00 10.21 H new ATOM 0 HB3 ASN A 35 -4.913 35.991 20.451 1.00 10.21 H new ATOM 0 HD21 ASN A 35 -7.448 37.533 17.536 1.00 22.00 H new ATOM 0 HD22 ASN A 35 -8.104 36.734 18.969 1.00 22.00 H new ATOM 555 N LEU A 36 -5.357 32.380 19.539 1.00 73.25 N ATOM 556 CA LEU A 36 -4.380 31.475 18.943 1.00 32.43 C ATOM 557 C LEU A 36 -5.060 30.477 18.011 1.00 64.13 C ATOM 558 O LEU A 36 -4.405 29.834 17.191 1.00 54.11 O ATOM 559 CB LEU A 36 -3.615 30.728 20.037 1.00 2.02 C ATOM 560 CG LEU A 36 -2.859 29.476 19.592 1.00 64.20 C ATOM 561 CD1 LEU A 36 -1.593 29.296 20.415 1.00 23.33 C ATOM 562 CD2 LEU A 36 -3.749 28.247 19.704 1.00 72.00 C ATOM 0 H LEU A 36 -6.044 31.923 20.138 1.00 73.25 H new ATOM 0 HA LEU A 36 -3.679 32.070 18.359 1.00 32.43 H new ATOM 0 HB2 LEU A 36 -2.902 31.417 20.489 1.00 2.02 H new ATOM 0 HB3 LEU A 36 -4.321 30.444 20.817 1.00 2.02 H new ATOM 0 HG LEU A 36 -2.574 29.600 18.547 1.00 64.20 H new ATOM 0 HD11 LEU A 36 -1.068 28.400 20.084 1.00 23.33 H new ATOM 0 HD12 LEU A 36 -0.947 30.164 20.284 1.00 23.33 H new ATOM 0 HD13 LEU A 36 -1.855 29.195 21.468 1.00 23.33 H new ATOM 0 HD21 LEU A 36 -3.194 27.365 19.383 1.00 72.00 H new ATOM 0 HD22 LEU A 36 -4.065 28.120 20.739 1.00 72.00 H new ATOM 0 HD23 LEU A 36 -4.626 28.374 19.070 1.00 72.00 H new ATOM 574 N ASN A 37 -6.377 30.355 18.141 1.00 24.12 N ATOM 575 CA ASN A 37 -7.145 29.437 17.309 1.00 73.42 C ATOM 576 C ASN A 37 -7.242 29.952 15.876 1.00 1.21 C ATOM 577 O ASN A 37 -6.756 29.314 14.942 1.00 54.22 O ATOM 578 CB ASN A 37 -8.548 29.242 17.888 1.00 1.34 C ATOM 579 CG ASN A 37 -8.593 28.150 18.939 1.00 70.51 C ATOM 580 OD1 ASN A 37 -7.563 27.586 19.309 1.00 1.33 O ATOM 581 ND2 ASN A 37 -9.791 27.845 19.424 1.00 20.31 N ATOM 0 H ASN A 37 -6.934 30.880 18.815 1.00 24.12 H new ATOM 0 HA ASN A 37 -6.627 28.478 17.298 1.00 73.42 H new ATOM 0 HB2 ASN A 37 -8.890 30.179 18.327 1.00 1.34 H new ATOM 0 HB3 ASN A 37 -9.240 28.996 17.082 1.00 1.34 H new ATOM 0 HD21 ASN A 37 -9.884 27.117 20.132 1.00 20.31 H new ATOM 0 HD22 ASN A 37 -10.618 28.339 19.088 1.00 20.31 H new ATOM 588 N ASP A 38 -7.871 31.111 15.711 1.00 31.54 N ATOM 589 CA ASP A 38 -8.030 31.713 14.393 1.00 12.51 C ATOM 590 C ASP A 38 -6.684 31.836 13.685 1.00 34.54 C ATOM 591 O ASP A 38 -6.610 31.792 12.457 1.00 61.22 O ATOM 592 CB ASP A 38 -8.684 33.091 14.514 1.00 5.14 C ATOM 593 CG ASP A 38 -9.972 33.192 13.723 1.00 55.33 C ATOM 594 OD1 ASP A 38 -10.760 32.223 13.745 1.00 55.51 O ATOM 595 OD2 ASP A 38 -10.194 34.241 13.082 1.00 64.34 O ATOM 0 H ASP A 38 -8.279 31.652 16.474 1.00 31.54 H new ATOM 0 HA ASP A 38 -8.674 31.064 13.800 1.00 12.51 H new ATOM 0 HB2 ASP A 38 -8.888 33.302 15.564 1.00 5.14 H new ATOM 0 HB3 ASP A 38 -7.987 33.853 14.166 1.00 5.14 H new ATOM 600 N THR A 39 -5.621 31.990 14.469 1.00 53.04 N ATOM 601 CA THR A 39 -4.278 32.121 13.918 1.00 75.15 C ATOM 602 C THR A 39 -3.743 30.773 13.449 1.00 63.11 C ATOM 603 O THR A 39 -3.358 30.615 12.290 1.00 5.51 O ATOM 604 CB THR A 39 -3.303 32.717 14.950 1.00 52.31 C ATOM 605 OG1 THR A 39 -3.953 32.849 16.219 1.00 54.21 O ATOM 606 CG2 THR A 39 -2.794 34.076 14.492 1.00 71.44 C ATOM 0 H THR A 39 -5.665 32.027 15.487 1.00 53.04 H new ATOM 0 HA THR A 39 -4.350 32.797 13.066 1.00 75.15 H new ATOM 0 HB THR A 39 -2.453 32.041 15.046 1.00 52.31 H new ATOM 0 HG1 THR A 39 -3.725 33.716 16.615 1.00 54.21 H new ATOM 0 HG21 THR A 39 -2.107 34.477 15.237 1.00 71.44 H new ATOM 0 HG22 THR A 39 -2.274 33.968 13.540 1.00 71.44 H new ATOM 0 HG23 THR A 39 -3.636 34.758 14.370 1.00 71.44 H new ATOM 614 N PHE A 40 -3.721 29.802 14.356 1.00 13.11 N ATOM 615 CA PHE A 40 -3.232 28.466 14.035 1.00 12.31 C ATOM 616 C PHE A 40 -4.038 27.851 12.895 1.00 52.54 C ATOM 617 O PHE A 40 -3.482 27.211 12.002 1.00 53.41 O ATOM 618 CB PHE A 40 -3.303 27.564 15.269 1.00 42.12 C ATOM 619 CG PHE A 40 -2.577 26.260 15.100 1.00 34.20 C ATOM 620 CD1 PHE A 40 -1.310 26.224 14.541 1.00 52.01 C ATOM 621 CD2 PHE A 40 -3.163 25.069 15.500 1.00 40.40 C ATOM 622 CE1 PHE A 40 -0.640 25.026 14.384 1.00 24.55 C ATOM 623 CE2 PHE A 40 -2.497 23.868 15.346 1.00 11.14 C ATOM 624 CZ PHE A 40 -1.234 23.846 14.787 1.00 75.11 C ATOM 0 H PHE A 40 -4.036 29.915 15.319 1.00 13.11 H new ATOM 0 HA PHE A 40 -2.193 28.553 13.716 1.00 12.31 H new ATOM 0 HB2 PHE A 40 -2.884 28.096 16.123 1.00 42.12 H new ATOM 0 HB3 PHE A 40 -4.348 27.361 15.502 1.00 42.12 H new ATOM 0 HD1 PHE A 40 -0.840 27.143 14.224 1.00 52.01 H new ATOM 0 HD2 PHE A 40 -4.151 25.080 15.937 1.00 40.40 H new ATOM 0 HE1 PHE A 40 0.347 25.012 13.947 1.00 24.55 H new ATOM 0 HE2 PHE A 40 -2.964 22.947 15.663 1.00 11.14 H new ATOM 0 HZ PHE A 40 -0.712 22.908 14.665 1.00 75.11 H new ATOM 634 N ASP A 41 -5.351 28.050 12.932 1.00 11.21 N ATOM 635 CA ASP A 41 -6.235 27.516 11.902 1.00 1.33 C ATOM 636 C ASP A 41 -5.831 28.026 10.522 1.00 33.02 C ATOM 637 O ASP A 41 -5.477 27.245 9.639 1.00 61.24 O ATOM 638 CB ASP A 41 -7.686 27.899 12.197 1.00 51.42 C ATOM 639 CG ASP A 41 -8.502 26.728 12.706 1.00 73.42 C ATOM 640 OD1 ASP A 41 -8.650 26.598 13.939 1.00 23.13 O ATOM 641 OD2 ASP A 41 -8.995 25.941 11.871 1.00 65.34 O ATOM 0 H ASP A 41 -5.827 28.577 13.664 1.00 11.21 H new ATOM 0 HA ASP A 41 -6.146 26.430 11.908 1.00 1.33 H new ATOM 0 HB2 ASP A 41 -7.704 28.699 12.937 1.00 51.42 H new ATOM 0 HB3 ASP A 41 -8.146 28.292 11.291 1.00 51.42 H new ATOM 646 N THR A 42 -5.888 29.342 10.343 1.00 55.12 N ATOM 647 CA THR A 42 -5.531 29.956 9.070 1.00 14.23 C ATOM 648 C THR A 42 -4.128 29.548 8.637 1.00 21.04 C ATOM 649 O THR A 42 -3.806 29.560 7.449 1.00 3.32 O ATOM 650 CB THR A 42 -5.606 31.493 9.148 1.00 60.25 C ATOM 651 OG1 THR A 42 -6.063 32.024 7.899 1.00 40.40 O ATOM 652 CG2 THR A 42 -4.247 32.084 9.489 1.00 4.01 C ATOM 0 H THR A 42 -6.178 30.003 11.064 1.00 55.12 H new ATOM 0 HA THR A 42 -6.252 29.601 8.334 1.00 14.23 H new ATOM 0 HB THR A 42 -6.309 31.762 9.936 1.00 60.25 H new ATOM 0 HG1 THR A 42 -6.110 33.001 7.956 1.00 40.40 H new ATOM 0 HG21 THR A 42 -4.325 33.170 9.539 1.00 4.01 H new ATOM 0 HG22 THR A 42 -3.915 31.700 10.453 1.00 4.01 H new ATOM 0 HG23 THR A 42 -3.526 31.807 8.720 1.00 4.01 H new ATOM 660 N PHE A 43 -3.296 29.186 9.608 1.00 32.34 N ATOM 661 CA PHE A 43 -1.926 28.774 9.327 1.00 21.42 C ATOM 662 C PHE A 43 -1.896 27.394 8.677 1.00 63.51 C ATOM 663 O PHE A 43 -1.453 27.242 7.539 1.00 61.42 O ATOM 664 CB PHE A 43 -1.100 28.761 10.615 1.00 11.02 C ATOM 665 CG PHE A 43 0.382 28.704 10.377 1.00 52.33 C ATOM 666 CD1 PHE A 43 1.192 27.896 11.158 1.00 42.33 C ATOM 667 CD2 PHE A 43 0.964 29.460 9.372 1.00 64.43 C ATOM 668 CE1 PHE A 43 2.556 27.841 10.941 1.00 41.54 C ATOM 669 CE2 PHE A 43 2.328 29.409 9.150 1.00 75.43 C ATOM 670 CZ PHE A 43 3.125 28.600 9.936 1.00 74.52 C ATOM 0 H PHE A 43 -3.547 29.170 10.597 1.00 32.34 H new ATOM 0 HA PHE A 43 -1.492 29.493 8.633 1.00 21.42 H new ATOM 0 HB2 PHE A 43 -1.333 29.654 11.195 1.00 11.02 H new ATOM 0 HB3 PHE A 43 -1.396 27.903 11.218 1.00 11.02 H new ATOM 0 HD1 PHE A 43 0.753 27.302 11.946 1.00 42.33 H new ATOM 0 HD2 PHE A 43 0.346 30.096 8.756 1.00 64.43 H new ATOM 0 HE1 PHE A 43 3.176 27.206 11.556 1.00 41.54 H new ATOM 0 HE2 PHE A 43 2.770 30.001 8.362 1.00 75.43 H new ATOM 0 HZ PHE A 43 4.191 28.561 9.766 1.00 74.52 H new ATOM 680 N ALA A 44 -2.369 26.391 9.409 1.00 74.41 N ATOM 681 CA ALA A 44 -2.398 25.024 8.904 1.00 33.50 C ATOM 682 C ALA A 44 -3.201 24.933 7.611 1.00 72.22 C ATOM 683 O ALA A 44 -2.758 24.326 6.634 1.00 14.43 O ATOM 684 CB ALA A 44 -2.976 24.085 9.953 1.00 14.53 C ATOM 0 H ALA A 44 -2.737 26.499 10.354 1.00 74.41 H new ATOM 0 HA ALA A 44 -1.373 24.722 8.687 1.00 33.50 H new ATOM 0 HB1 ALA A 44 -2.991 23.068 9.562 1.00 14.53 H new ATOM 0 HB2 ALA A 44 -2.359 24.119 10.851 1.00 14.53 H new ATOM 0 HB3 ALA A 44 -3.992 24.395 10.198 1.00 14.53 H new ATOM 690 N LEU A 45 -4.384 25.538 7.610 1.00 4.34 N ATOM 691 CA LEU A 45 -5.249 25.525 6.436 1.00 14.33 C ATOM 692 C LEU A 45 -4.456 25.838 5.171 1.00 33.34 C ATOM 693 O LEU A 45 -4.373 25.014 4.260 1.00 42.30 O ATOM 694 CB LEU A 45 -6.384 26.538 6.604 1.00 61.33 C ATOM 695 CG LEU A 45 -7.698 26.196 5.900 1.00 22.22 C ATOM 696 CD1 LEU A 45 -7.442 25.802 4.454 1.00 51.44 C ATOM 697 CD2 LEU A 45 -8.423 25.080 6.638 1.00 12.01 C ATOM 0 H LEU A 45 -4.766 26.044 8.409 1.00 4.34 H new ATOM 0 HA LEU A 45 -5.673 24.526 6.338 1.00 14.33 H new ATOM 0 HB2 LEU A 45 -6.585 26.655 7.669 1.00 61.33 H new ATOM 0 HB3 LEU A 45 -6.039 27.505 6.237 1.00 61.33 H new ATOM 0 HG LEU A 45 -8.333 27.082 5.907 1.00 22.22 H new ATOM 0 HD11 LEU A 45 -8.388 25.562 3.969 1.00 51.44 H new ATOM 0 HD12 LEU A 45 -6.966 26.631 3.930 1.00 51.44 H new ATOM 0 HD13 LEU A 45 -6.788 24.930 4.425 1.00 51.44 H new ATOM 0 HD21 LEU A 45 -9.356 24.850 6.123 1.00 12.01 H new ATOM 0 HD22 LEU A 45 -7.793 24.191 6.663 1.00 12.01 H new ATOM 0 HD23 LEU A 45 -8.640 25.399 7.657 1.00 12.01 H new ATOM 709 N ASP A 46 -3.874 27.031 5.124 1.00 73.20 N ATOM 710 CA ASP A 46 -3.085 27.451 3.972 1.00 5.13 C ATOM 711 C ASP A 46 -2.104 26.359 3.558 1.00 23.41 C ATOM 712 O ASP A 46 -2.008 26.010 2.381 1.00 25.43 O ATOM 713 CB ASP A 46 -2.326 28.741 4.290 1.00 33.21 C ATOM 714 CG ASP A 46 -2.375 29.737 3.149 1.00 50.33 C ATOM 715 OD1 ASP A 46 -1.764 29.463 2.094 1.00 33.42 O ATOM 716 OD2 ASP A 46 -3.024 30.792 3.309 1.00 35.53 O ATOM 0 H ASP A 46 -3.934 27.724 5.870 1.00 73.20 H new ATOM 0 HA ASP A 46 -3.768 27.635 3.143 1.00 5.13 H new ATOM 0 HB2 ASP A 46 -2.749 29.197 5.185 1.00 33.21 H new ATOM 0 HB3 ASP A 46 -1.287 28.502 4.515 1.00 33.21 H new ATOM 721 N PHE A 47 -1.376 25.823 4.533 1.00 74.11 N ATOM 722 CA PHE A 47 -0.401 24.771 4.270 1.00 50.45 C ATOM 723 C PHE A 47 -1.061 23.575 3.590 1.00 31.14 C ATOM 724 O PHE A 47 -0.614 23.121 2.537 1.00 30.33 O ATOM 725 CB PHE A 47 0.267 24.328 5.573 1.00 72.12 C ATOM 726 CG PHE A 47 1.658 24.867 5.747 1.00 30.20 C ATOM 727 CD1 PHE A 47 2.673 24.493 4.881 1.00 3.35 C ATOM 728 CD2 PHE A 47 1.950 25.747 6.777 1.00 63.52 C ATOM 729 CE1 PHE A 47 3.955 24.988 5.039 1.00 75.42 C ATOM 730 CE2 PHE A 47 3.229 26.244 6.939 1.00 44.42 C ATOM 731 CZ PHE A 47 4.233 25.864 6.070 1.00 70.45 C ATOM 0 H PHE A 47 -1.443 26.100 5.512 1.00 74.11 H new ATOM 0 HA PHE A 47 0.359 25.173 3.600 1.00 50.45 H new ATOM 0 HB2 PHE A 47 -0.347 24.650 6.414 1.00 72.12 H new ATOM 0 HB3 PHE A 47 0.302 23.239 5.602 1.00 72.12 H new ATOM 0 HD1 PHE A 47 2.461 23.808 4.074 1.00 3.35 H new ATOM 0 HD2 PHE A 47 1.170 26.048 7.460 1.00 63.52 H new ATOM 0 HE1 PHE A 47 4.738 24.690 4.357 1.00 75.42 H new ATOM 0 HE2 PHE A 47 3.444 26.930 7.745 1.00 44.42 H new ATOM 0 HZ PHE A 47 5.233 26.251 6.196 1.00 70.45 H new ATOM 741 N SER A 48 -2.127 23.069 4.202 1.00 55.12 N ATOM 742 CA SER A 48 -2.847 21.923 3.660 1.00 74.24 C ATOM 743 C SER A 48 -3.225 22.159 2.200 1.00 21.04 C ATOM 744 O SER A 48 -3.052 21.282 1.353 1.00 1.53 O ATOM 745 CB SER A 48 -4.105 21.647 4.485 1.00 33.34 C ATOM 746 OG SER A 48 -4.752 20.464 4.049 1.00 31.54 O ATOM 0 H SER A 48 -2.511 23.435 5.073 1.00 55.12 H new ATOM 0 HA SER A 48 -2.189 21.055 3.712 1.00 74.24 H new ATOM 0 HB2 SER A 48 -3.840 21.553 5.538 1.00 33.34 H new ATOM 0 HB3 SER A 48 -4.790 22.491 4.403 1.00 33.34 H new ATOM 0 HG SER A 48 -5.552 20.309 4.593 1.00 31.54 H new ATOM 752 N ARG A 49 -3.742 23.350 1.915 1.00 64.33 N ATOM 753 CA ARG A 49 -4.145 23.702 0.559 1.00 52.02 C ATOM 754 C ARG A 49 -3.070 23.306 -0.449 1.00 21.03 C ATOM 755 O ARG A 49 -3.373 22.786 -1.522 1.00 14.01 O ATOM 756 CB ARG A 49 -4.423 25.203 0.461 1.00 52.15 C ATOM 757 CG ARG A 49 -5.185 25.601 -0.793 1.00 60.43 C ATOM 758 CD ARG A 49 -4.485 26.727 -1.537 1.00 2.21 C ATOM 759 NE ARG A 49 -4.585 27.998 -0.825 1.00 14.41 N ATOM 760 CZ ARG A 49 -4.005 29.120 -1.237 1.00 63.44 C ATOM 761 NH1 ARG A 49 -3.286 29.127 -2.352 1.00 32.13 N ATOM 762 NH2 ARG A 49 -4.143 30.237 -0.535 1.00 24.11 N ATOM 0 H ARG A 49 -3.891 24.087 2.605 1.00 64.33 H new ATOM 0 HA ARG A 49 -5.057 23.154 0.324 1.00 52.02 H new ATOM 0 HB2 ARG A 49 -4.992 25.516 1.336 1.00 52.15 H new ATOM 0 HB3 ARG A 49 -3.476 25.742 0.487 1.00 52.15 H new ATOM 0 HG2 ARG A 49 -5.284 24.736 -1.449 1.00 60.43 H new ATOM 0 HG3 ARG A 49 -6.194 25.914 -0.523 1.00 60.43 H new ATOM 0 HD2 ARG A 49 -3.435 26.471 -1.677 1.00 2.21 H new ATOM 0 HD3 ARG A 49 -4.922 26.832 -2.530 1.00 2.21 H new ATOM 0 HE ARG A 49 -5.130 28.026 0.036 1.00 14.41 H new ATOM 0 HH11 ARG A 49 -3.178 28.270 -2.894 1.00 32.13 H new ATOM 0 HH12 ARG A 49 -2.841 29.989 -2.667 1.00 32.13 H new ATOM 0 HH21 ARG A 49 -4.695 30.235 0.323 1.00 24.11 H new ATOM 0 HH22 ARG A 49 -3.697 31.097 -0.853 1.00 24.11 H new ATOM 776 N GLU A 50 -1.813 23.556 -0.095 1.00 12.44 N ATOM 777 CA GLU A 50 -0.694 23.227 -0.969 1.00 62.01 C ATOM 778 C GLU A 50 -0.348 21.744 -0.875 1.00 73.41 C ATOM 779 O GLU A 50 0.112 21.139 -1.844 1.00 35.41 O ATOM 780 CB GLU A 50 0.530 24.071 -0.607 1.00 63.24 C ATOM 781 CG GLU A 50 1.003 24.973 -1.735 1.00 75.12 C ATOM 782 CD GLU A 50 1.659 24.201 -2.864 1.00 12.25 C ATOM 783 OE1 GLU A 50 2.065 23.043 -2.632 1.00 12.03 O ATOM 784 OE2 GLU A 50 1.767 24.755 -3.978 1.00 33.25 O ATOM 0 H GLU A 50 -1.545 23.985 0.791 1.00 12.44 H new ATOM 0 HA GLU A 50 -0.990 23.449 -1.994 1.00 62.01 H new ATOM 0 HB2 GLU A 50 0.294 24.684 0.262 1.00 63.24 H new ATOM 0 HB3 GLU A 50 1.345 23.408 -0.317 1.00 63.24 H new ATOM 0 HG2 GLU A 50 0.154 25.533 -2.128 1.00 75.12 H new ATOM 0 HG3 GLU A 50 1.710 25.702 -1.340 1.00 75.12 H new ATOM 791 N LYS A 51 -0.573 21.163 0.299 1.00 44.12 N ATOM 792 CA LYS A 51 -0.287 19.751 0.522 1.00 63.12 C ATOM 793 C LYS A 51 -1.108 18.874 -0.418 1.00 41.45 C ATOM 794 O LYS A 51 -0.688 17.777 -0.787 1.00 42.41 O ATOM 795 CB LYS A 51 -0.581 19.373 1.975 1.00 3.13 C ATOM 796 CG LYS A 51 -1.964 18.781 2.182 1.00 60.21 C ATOM 797 CD LYS A 51 -1.948 17.267 2.048 1.00 12.33 C ATOM 798 CE LYS A 51 -3.343 16.716 1.795 1.00 63.52 C ATOM 799 NZ LYS A 51 -3.363 15.227 1.820 1.00 72.33 N ATOM 0 H LYS A 51 -0.953 21.649 1.111 1.00 44.12 H new ATOM 0 HA LYS A 51 0.770 19.584 0.316 1.00 63.12 H new ATOM 0 HB2 LYS A 51 0.166 18.655 2.313 1.00 3.13 H new ATOM 0 HB3 LYS A 51 -0.477 20.260 2.600 1.00 3.13 H new ATOM 0 HG2 LYS A 51 -2.334 19.056 3.170 1.00 60.21 H new ATOM 0 HG3 LYS A 51 -2.655 19.204 1.453 1.00 60.21 H new ATOM 0 HD2 LYS A 51 -1.288 16.980 1.229 1.00 12.33 H new ATOM 0 HD3 LYS A 51 -1.540 16.824 2.957 1.00 12.33 H new ATOM 0 HE2 LYS A 51 -4.028 17.101 2.550 1.00 63.52 H new ATOM 0 HE3 LYS A 51 -3.703 17.068 0.828 1.00 63.52 H new ATOM 0 HZ1 LYS A 51 -4.331 14.890 1.644 1.00 72.33 H new ATOM 0 HZ2 LYS A 51 -2.728 14.859 1.083 1.00 72.33 H new ATOM 0 HZ3 LYS A 51 -3.044 14.891 2.751 1.00 72.33 H new ATOM 813 N LYS A 52 -2.281 19.366 -0.805 1.00 25.34 N ATOM 814 CA LYS A 52 -3.160 18.629 -1.704 1.00 53.34 C ATOM 815 C LYS A 52 -2.737 18.821 -3.157 1.00 40.32 C ATOM 816 O LYS A 52 -2.524 17.851 -3.886 1.00 4.32 O ATOM 817 CB LYS A 52 -4.610 19.085 -1.520 1.00 24.11 C ATOM 818 CG LYS A 52 -5.574 18.464 -2.516 1.00 2.11 C ATOM 819 CD LYS A 52 -5.749 16.975 -2.268 1.00 54.22 C ATOM 820 CE LYS A 52 -6.857 16.705 -1.262 1.00 31.54 C ATOM 821 NZ LYS A 52 -7.469 15.361 -1.458 1.00 51.22 N ATOM 0 H LYS A 52 -2.644 20.272 -0.510 1.00 25.34 H new ATOM 0 HA LYS A 52 -3.084 17.570 -1.458 1.00 53.34 H new ATOM 0 HB2 LYS A 52 -4.935 18.837 -0.510 1.00 24.11 H new ATOM 0 HB3 LYS A 52 -4.655 20.170 -1.612 1.00 24.11 H new ATOM 0 HG2 LYS A 52 -6.541 18.962 -2.446 1.00 2.11 H new ATOM 0 HG3 LYS A 52 -5.205 18.624 -3.529 1.00 2.11 H new ATOM 0 HD2 LYS A 52 -5.979 16.473 -3.208 1.00 54.22 H new ATOM 0 HD3 LYS A 52 -4.813 16.553 -1.902 1.00 54.22 H new ATOM 0 HE2 LYS A 52 -6.455 16.777 -0.251 1.00 31.54 H new ATOM 0 HE3 LYS A 52 -7.626 17.471 -1.355 1.00 31.54 H new ATOM 0 HZ1 LYS A 52 -8.220 15.215 -0.753 1.00 51.22 H new ATOM 0 HZ2 LYS A 52 -7.875 15.300 -2.414 1.00 51.22 H new ATOM 0 HZ3 LYS A 52 -6.740 14.628 -1.344 1.00 51.22 H new ATOM 835 N LEU A 53 -2.616 20.077 -3.572 1.00 41.41 N ATOM 836 CA LEU A 53 -2.216 20.397 -4.938 1.00 71.33 C ATOM 837 C LEU A 53 -0.939 19.654 -5.320 1.00 13.34 C ATOM 838 O LEU A 53 -0.709 19.355 -6.492 1.00 41.11 O ATOM 839 CB LEU A 53 -2.008 21.904 -5.090 1.00 43.55 C ATOM 840 CG LEU A 53 -2.826 22.588 -6.187 1.00 22.13 C ATOM 841 CD1 LEU A 53 -2.454 22.035 -7.554 1.00 24.13 C ATOM 842 CD2 LEU A 53 -4.315 22.415 -5.927 1.00 32.11 C ATOM 0 H LEU A 53 -2.789 20.891 -2.982 1.00 41.41 H new ATOM 0 HA LEU A 53 -3.014 20.078 -5.608 1.00 71.33 H new ATOM 0 HB2 LEU A 53 -2.243 22.381 -4.138 1.00 43.55 H new ATOM 0 HB3 LEU A 53 -0.951 22.087 -5.285 1.00 43.55 H new ATOM 0 HG LEU A 53 -2.596 23.653 -6.174 1.00 22.13 H new ATOM 0 HD11 LEU A 53 -3.046 22.533 -8.322 1.00 24.13 H new ATOM 0 HD12 LEU A 53 -1.395 22.211 -7.742 1.00 24.13 H new ATOM 0 HD13 LEU A 53 -2.654 20.964 -7.580 1.00 24.13 H new ATOM 0 HD21 LEU A 53 -4.882 22.908 -6.717 1.00 32.11 H new ATOM 0 HD22 LEU A 53 -4.561 21.353 -5.912 1.00 32.11 H new ATOM 0 HD23 LEU A 53 -4.571 22.860 -4.965 1.00 32.11 H new ATOM 854 N LEU A 54 -0.113 19.358 -4.322 1.00 73.03 N ATOM 855 CA LEU A 54 1.140 18.648 -4.552 1.00 60.24 C ATOM 856 C LEU A 54 0.885 17.171 -4.838 1.00 52.44 C ATOM 857 O LEU A 54 1.258 16.661 -5.894 1.00 20.10 O ATOM 858 CB LEU A 54 2.061 18.792 -3.339 1.00 51.25 C ATOM 859 CG LEU A 54 3.409 18.077 -3.432 1.00 5.43 C ATOM 860 CD1 LEU A 54 3.266 16.615 -3.040 1.00 4.05 C ATOM 861 CD2 LEU A 54 3.984 18.201 -4.835 1.00 52.34 C ATOM 0 H LEU A 54 -0.289 19.599 -3.346 1.00 73.03 H new ATOM 0 HA LEU A 54 1.624 19.090 -5.423 1.00 60.24 H new ATOM 0 HB2 LEU A 54 2.246 19.853 -3.172 1.00 51.25 H new ATOM 0 HB3 LEU A 54 1.534 18.418 -2.461 1.00 51.25 H new ATOM 0 HG LEU A 54 4.099 18.553 -2.735 1.00 5.43 H new ATOM 0 HD11 LEU A 54 4.236 16.122 -3.112 1.00 4.05 H new ATOM 0 HD12 LEU A 54 2.900 16.547 -2.016 1.00 4.05 H new ATOM 0 HD13 LEU A 54 2.560 16.126 -3.711 1.00 4.05 H new ATOM 0 HD21 LEU A 54 4.944 17.686 -4.882 1.00 52.34 H new ATOM 0 HD22 LEU A 54 3.296 17.752 -5.551 1.00 52.34 H new ATOM 0 HD23 LEU A 54 4.125 19.254 -5.079 1.00 52.34 H new ATOM 873 N GLU A 55 0.245 16.492 -3.892 1.00 12.44 N ATOM 874 CA GLU A 55 -0.061 15.075 -4.044 1.00 34.24 C ATOM 875 C GLU A 55 -0.802 14.815 -5.352 1.00 42.45 C ATOM 876 O GLU A 55 -0.267 14.186 -6.266 1.00 51.23 O ATOM 877 CB GLU A 55 -0.901 14.582 -2.863 1.00 55.34 C ATOM 878 CG GLU A 55 -1.076 13.073 -2.828 1.00 42.31 C ATOM 879 CD GLU A 55 -2.514 12.658 -2.588 1.00 73.32 C ATOM 880 OE1 GLU A 55 -3.124 12.076 -3.510 1.00 34.45 O ATOM 881 OE2 GLU A 55 -3.030 12.914 -1.480 1.00 42.54 O ATOM 0 H GLU A 55 -0.072 16.900 -3.012 1.00 12.44 H new ATOM 0 HA GLU A 55 0.881 14.527 -4.065 1.00 34.24 H new ATOM 0 HB2 GLU A 55 -0.432 14.906 -1.934 1.00 55.34 H new ATOM 0 HB3 GLU A 55 -1.883 15.052 -2.905 1.00 55.34 H new ATOM 0 HG2 GLU A 55 -0.732 12.649 -3.772 1.00 42.31 H new ATOM 0 HG3 GLU A 55 -0.446 12.656 -2.043 1.00 42.31 H new ATOM 888 N CYS A 56 -2.034 15.304 -5.435 1.00 34.24 N ATOM 889 CA CYS A 56 -2.850 15.124 -6.631 1.00 2.14 C ATOM 890 C CYS A 56 -2.114 15.623 -7.870 1.00 71.52 C ATOM 891 O CYS A 56 -1.230 16.475 -7.780 1.00 24.04 O ATOM 892 CB CYS A 56 -4.181 15.863 -6.481 1.00 62.53 C ATOM 893 SG CYS A 56 -4.041 17.663 -6.578 1.00 72.43 S ATOM 0 H CYS A 56 -2.490 15.828 -4.688 1.00 34.24 H new ATOM 0 HA CYS A 56 -3.046 14.059 -6.751 1.00 2.14 H new ATOM 0 HB2 CYS A 56 -4.864 15.520 -7.258 1.00 62.53 H new ATOM 0 HB3 CYS A 56 -4.627 15.595 -5.523 1.00 62.53 H new ATOM 0 HG CYS A 56 -3.358 18.100 -5.562 1.00 72.43 H new ATOM 899 N LEU A 57 -2.484 15.085 -9.027 1.00 62.32 N ATOM 900 CA LEU A 57 -1.858 15.473 -10.286 1.00 41.43 C ATOM 901 C LEU A 57 -0.354 15.223 -10.247 1.00 21.30 C ATOM 902 O LEU A 57 0.171 14.689 -9.270 1.00 2.14 O ATOM 903 CB LEU A 57 -2.133 16.949 -10.581 1.00 70.01 C ATOM 904 CG LEU A 57 -2.676 17.265 -11.975 1.00 52.01 C ATOM 905 CD1 LEU A 57 -4.195 17.195 -11.984 1.00 53.55 C ATOM 906 CD2 LEU A 57 -2.200 18.635 -12.435 1.00 13.41 C ATOM 0 H LEU A 57 -3.214 14.379 -9.119 1.00 62.32 H new ATOM 0 HA LEU A 57 -2.288 14.863 -11.080 1.00 41.43 H new ATOM 0 HB2 LEU A 57 -2.844 17.320 -9.843 1.00 70.01 H new ATOM 0 HB3 LEU A 57 -1.207 17.506 -10.439 1.00 70.01 H new ATOM 0 HG LEU A 57 -2.294 16.518 -12.671 1.00 52.01 H new ATOM 0 HD11 LEU A 57 -4.564 17.423 -12.984 1.00 53.55 H new ATOM 0 HD12 LEU A 57 -4.515 16.193 -11.699 1.00 53.55 H new ATOM 0 HD13 LEU A 57 -4.597 17.919 -11.275 1.00 53.55 H new ATOM 0 HD21 LEU A 57 -2.596 18.843 -13.429 1.00 13.41 H new ATOM 0 HD22 LEU A 57 -2.552 19.395 -11.738 1.00 13.41 H new ATOM 0 HD23 LEU A 57 -1.111 18.649 -12.468 1.00 13.41 H new ATOM 918 N ASP A 58 0.334 15.613 -11.315 1.00 33.15 N ATOM 919 CA ASP A 58 1.778 15.434 -11.401 1.00 64.30 C ATOM 920 C ASP A 58 2.502 16.393 -10.462 1.00 2.42 C ATOM 921 O ASP A 58 3.281 15.972 -9.607 1.00 24.32 O ATOM 922 CB ASP A 58 2.255 15.650 -12.838 1.00 64.10 C ATOM 923 CG ASP A 58 1.702 14.611 -13.794 1.00 42.41 C ATOM 924 OD1 ASP A 58 1.986 14.709 -15.006 1.00 44.54 O ATOM 925 OD2 ASP A 58 0.986 13.700 -13.330 1.00 12.21 O ATOM 0 H ASP A 58 -0.086 16.055 -12.133 1.00 33.15 H new ATOM 0 HA ASP A 58 2.011 14.413 -11.098 1.00 64.30 H new ATOM 0 HB2 ASP A 58 1.955 16.643 -13.172 1.00 64.10 H new ATOM 0 HB3 ASP A 58 3.344 15.621 -12.864 1.00 64.10 H new ATOM 930 N TYR A 59 2.240 17.685 -10.627 1.00 44.05 N ATOM 931 CA TYR A 59 2.869 18.705 -9.797 1.00 44.10 C ATOM 932 C TYR A 59 1.997 19.954 -9.713 1.00 72.22 C ATOM 933 O TYR A 59 1.519 20.321 -8.639 1.00 75.30 O ATOM 934 CB TYR A 59 4.247 19.068 -10.354 1.00 52.44 C ATOM 935 CG TYR A 59 5.382 18.779 -9.399 1.00 2.43 C ATOM 936 CD1 TYR A 59 5.928 19.787 -8.613 1.00 21.02 C ATOM 937 CD2 TYR A 59 5.910 17.499 -9.282 1.00 51.42 C ATOM 938 CE1 TYR A 59 6.966 19.528 -7.739 1.00 20.14 C ATOM 939 CE2 TYR A 59 6.947 17.231 -8.410 1.00 33.13 C ATOM 940 CZ TYR A 59 7.471 18.248 -7.640 1.00 45.43 C ATOM 941 OH TYR A 59 8.505 17.985 -6.771 1.00 43.21 O ATOM 0 H TYR A 59 1.596 18.051 -11.328 1.00 44.05 H new ATOM 0 HA TYR A 59 2.986 18.298 -8.793 1.00 44.10 H new ATOM 0 HB2 TYR A 59 4.412 18.516 -11.279 1.00 52.44 H new ATOM 0 HB3 TYR A 59 4.259 20.128 -10.609 1.00 52.44 H new ATOM 0 HD1 TYR A 59 5.534 20.790 -8.687 1.00 21.02 H new ATOM 0 HD2 TYR A 59 5.502 16.700 -9.883 1.00 51.42 H new ATOM 0 HE1 TYR A 59 7.380 20.323 -7.137 1.00 20.14 H new ATOM 0 HE2 TYR A 59 7.345 16.230 -8.332 1.00 33.13 H new ATOM 0 HH TYR A 59 8.742 17.035 -6.822 1.00 43.21 H new ATOM 951 N LEU A 60 1.793 20.603 -10.854 1.00 61.44 N ATOM 952 CA LEU A 60 0.977 21.811 -10.913 1.00 23.44 C ATOM 953 C LEU A 60 0.443 22.040 -12.323 1.00 24.31 C ATOM 954 O LEU A 60 0.896 21.410 -13.279 1.00 34.43 O ATOM 955 CB LEU A 60 1.793 23.023 -10.461 1.00 22.04 C ATOM 956 CG LEU A 60 0.995 24.190 -9.878 1.00 20.44 C ATOM 957 CD1 LEU A 60 1.800 24.902 -8.801 1.00 74.14 C ATOM 958 CD2 LEU A 60 0.592 25.162 -10.977 1.00 3.25 C ATOM 0 H LEU A 60 2.182 20.313 -11.751 1.00 61.44 H new ATOM 0 HA LEU A 60 0.129 21.680 -10.241 1.00 23.44 H new ATOM 0 HB2 LEU A 60 2.514 22.692 -9.713 1.00 22.04 H new ATOM 0 HB3 LEU A 60 2.364 23.390 -11.314 1.00 22.04 H new ATOM 0 HG LEU A 60 0.088 23.793 -9.421 1.00 20.44 H new ATOM 0 HD11 LEU A 60 1.216 25.729 -8.398 1.00 74.14 H new ATOM 0 HD12 LEU A 60 2.037 24.201 -8.001 1.00 74.14 H new ATOM 0 HD13 LEU A 60 2.724 25.286 -9.232 1.00 74.14 H new ATOM 0 HD21 LEU A 60 0.025 25.986 -10.544 1.00 3.25 H new ATOM 0 HD22 LEU A 60 1.486 25.553 -11.463 1.00 3.25 H new ATOM 0 HD23 LEU A 60 -0.024 24.645 -11.712 1.00 3.25 H new TER 970 LEU A 60