USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 520 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 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0242 K(o=-0.024,f=-0.96) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 29 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.093) USER MOD Single : A 32 SER OG : rot 66:sc= 0.926 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0953 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=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 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00749) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 2.486 0.088 -0.271 1.00 41.24 N ATOM 2 CA TYR A 6 2.633 -0.032 -1.717 1.00 50.41 C ATOM 3 C TYR A 6 1.643 -1.045 -2.283 1.00 50.02 C ATOM 4 O TYR A 6 0.885 -1.668 -1.541 1.00 73.41 O ATOM 5 CB TYR A 6 4.062 -0.444 -2.073 1.00 62.32 C ATOM 6 CG TYR A 6 5.120 0.293 -1.283 1.00 71.05 C ATOM 7 CD1 TYR A 6 5.018 1.660 -1.055 1.00 64.34 C ATOM 8 CD2 TYR A 6 6.221 -0.378 -0.765 1.00 13.35 C ATOM 9 CE1 TYR A 6 5.983 2.337 -0.335 1.00 51.31 C ATOM 10 CE2 TYR A 6 7.189 0.291 -0.042 1.00 4.52 C ATOM 11 CZ TYR A 6 7.066 1.649 0.170 1.00 63.12 C ATOM 12 OH TYR A 6 8.029 2.320 0.889 1.00 15.00 O ATOM 0 HA TYR A 6 2.422 0.941 -2.160 1.00 50.41 H new ATOM 0 HB2 TYR A 6 4.175 -1.515 -1.904 1.00 62.32 H new ATOM 0 HB3 TYR A 6 4.227 -0.270 -3.136 1.00 62.32 H new ATOM 0 HD1 TYR A 6 4.170 2.202 -1.447 1.00 64.34 H new ATOM 0 HD2 TYR A 6 6.321 -1.440 -0.931 1.00 13.35 H new ATOM 0 HE1 TYR A 6 5.890 3.400 -0.168 1.00 51.31 H new ATOM 0 HE2 TYR A 6 8.038 -0.246 0.355 1.00 4.52 H new ATOM 0 HH TYR A 6 8.723 1.690 1.174 1.00 15.00 H new ATOM 22 N GLN A 7 1.658 -1.203 -3.603 1.00 32.32 N ATOM 23 CA GLN A 7 0.762 -2.141 -4.269 1.00 53.33 C ATOM 24 C GLN A 7 0.720 -3.473 -3.529 1.00 74.51 C ATOM 25 O GLN A 7 1.371 -3.643 -2.498 1.00 53.01 O ATOM 26 CB GLN A 7 1.205 -2.361 -5.717 1.00 31.44 C ATOM 27 CG GLN A 7 0.836 -1.217 -6.647 1.00 72.31 C ATOM 28 CD GLN A 7 -0.614 -1.268 -7.088 1.00 22.11 C ATOM 29 OE1 GLN A 7 -1.522 -0.982 -6.308 1.00 14.23 O ATOM 30 NE2 GLN A 7 -0.838 -1.634 -8.345 1.00 11.43 N ATOM 0 H GLN A 7 2.280 -0.694 -4.231 1.00 32.32 H new ATOM 0 HA GLN A 7 -0.240 -1.713 -4.264 1.00 53.33 H new ATOM 0 HB2 GLN A 7 2.286 -2.503 -5.740 1.00 31.44 H new ATOM 0 HB3 GLN A 7 0.755 -3.281 -6.090 1.00 31.44 H new ATOM 0 HG2 GLN A 7 1.026 -0.269 -6.144 1.00 72.31 H new ATOM 0 HG3 GLN A 7 1.480 -1.246 -7.526 1.00 72.31 H new ATOM 0 HE21 GLN A 7 -0.055 -1.862 -8.957 1.00 11.43 H new ATOM 0 HE22 GLN A 7 -1.793 -1.687 -8.698 1.00 11.43 H new ATOM 39 N ASP A 8 -0.051 -4.416 -4.061 1.00 45.04 N ATOM 40 CA ASP A 8 -0.177 -5.735 -3.452 1.00 12.44 C ATOM 41 C ASP A 8 1.129 -6.152 -2.784 1.00 22.14 C ATOM 42 O ASP A 8 1.122 -6.778 -1.724 1.00 64.22 O ATOM 43 CB ASP A 8 -0.580 -6.770 -4.503 1.00 53.40 C ATOM 44 CG ASP A 8 -1.828 -6.367 -5.263 1.00 54.44 C ATOM 45 OD1 ASP A 8 -2.706 -5.713 -4.661 1.00 20.54 O ATOM 46 OD2 ASP A 8 -1.927 -6.703 -6.462 1.00 33.54 O ATOM 0 H ASP A 8 -0.598 -4.291 -4.913 1.00 45.04 H new ATOM 0 HA ASP A 8 -0.954 -5.683 -2.689 1.00 12.44 H new ATOM 0 HB2 ASP A 8 0.241 -6.908 -5.206 1.00 53.40 H new ATOM 0 HB3 ASP A 8 -0.749 -7.731 -4.017 1.00 53.40 H new ATOM 51 N GLN A 9 2.247 -5.802 -3.411 1.00 42.31 N ATOM 52 CA GLN A 9 3.561 -6.142 -2.878 1.00 32.13 C ATOM 53 C GLN A 9 3.630 -5.860 -1.380 1.00 61.34 C ATOM 54 O GLN A 9 4.077 -6.702 -0.602 1.00 1.44 O ATOM 55 CB GLN A 9 4.651 -5.355 -3.608 1.00 34.23 C ATOM 56 CG GLN A 9 4.359 -3.867 -3.714 1.00 74.13 C ATOM 57 CD GLN A 9 5.342 -3.142 -4.611 1.00 64.14 C ATOM 58 OE1 GLN A 9 5.176 -3.104 -5.831 1.00 3.51 O ATOM 59 NE2 GLN A 9 6.375 -2.562 -4.011 1.00 60.10 N ATOM 0 H GLN A 9 2.269 -5.283 -4.289 1.00 42.31 H new ATOM 0 HA GLN A 9 3.725 -7.208 -3.037 1.00 32.13 H new ATOM 0 HB2 GLN A 9 5.599 -5.495 -3.088 1.00 34.23 H new ATOM 0 HB3 GLN A 9 4.774 -5.765 -4.610 1.00 34.23 H new ATOM 0 HG2 GLN A 9 3.349 -3.725 -4.099 1.00 74.13 H new ATOM 0 HG3 GLN A 9 4.386 -3.424 -2.719 1.00 74.13 H new ATOM 0 HE21 GLN A 9 6.473 -2.618 -2.997 1.00 60.10 H new ATOM 0 HE22 GLN A 9 7.070 -2.060 -4.564 1.00 60.10 H new ATOM 68 N GLU A 10 3.185 -4.671 -0.986 1.00 20.43 N ATOM 69 CA GLU A 10 3.198 -4.279 0.419 1.00 63.43 C ATOM 70 C GLU A 10 2.076 -4.972 1.187 1.00 5.34 C ATOM 71 O GLU A 10 2.275 -5.435 2.310 1.00 34.21 O ATOM 72 CB GLU A 10 3.059 -2.761 0.549 1.00 70.23 C ATOM 73 CG GLU A 10 3.282 -2.248 1.961 1.00 23.24 C ATOM 74 CD GLU A 10 4.747 -2.238 2.354 1.00 70.04 C ATOM 75 OE1 GLU A 10 5.596 -2.514 1.480 1.00 2.13 O ATOM 76 OE2 GLU A 10 5.044 -1.955 3.533 1.00 41.32 O ATOM 0 H GLU A 10 2.812 -3.963 -1.619 1.00 20.43 H new ATOM 0 HA GLU A 10 4.152 -4.587 0.847 1.00 63.43 H new ATOM 0 HB2 GLU A 10 3.773 -2.281 -0.120 1.00 70.23 H new ATOM 0 HB3 GLU A 10 2.063 -2.466 0.217 1.00 70.23 H new ATOM 0 HG2 GLU A 10 2.881 -1.238 2.044 1.00 23.24 H new ATOM 0 HG3 GLU A 10 2.726 -2.871 2.662 1.00 23.24 H new ATOM 83 N GLN A 11 0.899 -5.037 0.574 1.00 2.40 N ATOM 84 CA GLN A 11 -0.254 -5.671 1.201 1.00 14.20 C ATOM 85 C GLN A 11 0.049 -7.122 1.557 1.00 71.54 C ATOM 86 O GLN A 11 -0.511 -7.669 2.507 1.00 2.23 O ATOM 87 CB GLN A 11 -1.468 -5.604 0.272 1.00 44.32 C ATOM 88 CG GLN A 11 -1.837 -4.189 -0.146 1.00 24.31 C ATOM 89 CD GLN A 11 -2.328 -3.348 1.015 1.00 14.40 C ATOM 90 OE1 GLN A 11 -2.701 -3.874 2.064 1.00 1.53 O ATOM 91 NE2 GLN A 11 -2.332 -2.032 0.833 1.00 31.21 N ATOM 0 H GLN A 11 0.719 -4.659 -0.356 1.00 2.40 H new ATOM 0 HA GLN A 11 -0.479 -5.130 2.120 1.00 14.20 H new ATOM 0 HB2 GLN A 11 -1.265 -6.196 -0.620 1.00 44.32 H new ATOM 0 HB3 GLN A 11 -2.323 -6.061 0.771 1.00 44.32 H new ATOM 0 HG2 GLN A 11 -0.968 -3.709 -0.596 1.00 24.31 H new ATOM 0 HG3 GLN A 11 -2.611 -4.231 -0.913 1.00 24.31 H new ATOM 0 HE21 GLN A 11 -2.014 -1.639 -0.053 1.00 31.21 H new ATOM 0 HE22 GLN A 11 -2.653 -1.415 1.579 1.00 31.21 H new ATOM 100 N ARG A 12 0.938 -7.742 0.787 1.00 51.31 N ATOM 101 CA ARG A 12 1.314 -9.131 1.020 1.00 43.20 C ATOM 102 C ARG A 12 2.245 -9.247 2.223 1.00 24.33 C ATOM 103 O ARG A 12 1.942 -9.947 3.190 1.00 71.53 O ATOM 104 CB ARG A 12 1.993 -9.713 -0.221 1.00 53.15 C ATOM 105 CG ARG A 12 1.824 -11.217 -0.359 1.00 30.21 C ATOM 106 CD ARG A 12 0.399 -11.585 -0.743 1.00 65.22 C ATOM 107 NE ARG A 12 0.089 -11.207 -2.119 1.00 72.33 N ATOM 108 CZ ARG A 12 0.494 -11.896 -3.180 1.00 63.50 C ATOM 109 NH1 ARG A 12 1.222 -12.993 -3.023 1.00 64.44 N ATOM 110 NH2 ARG A 12 0.171 -11.489 -4.401 1.00 0.13 N ATOM 0 H ARG A 12 1.411 -7.304 -0.003 1.00 51.31 H new ATOM 0 HA ARG A 12 0.406 -9.697 1.228 1.00 43.20 H new ATOM 0 HB2 ARG A 12 1.587 -9.227 -1.108 1.00 53.15 H new ATOM 0 HB3 ARG A 12 3.057 -9.477 -0.187 1.00 53.15 H new ATOM 0 HG2 ARG A 12 2.514 -11.594 -1.114 1.00 30.21 H new ATOM 0 HG3 ARG A 12 2.085 -11.701 0.582 1.00 30.21 H new ATOM 0 HD2 ARG A 12 0.256 -12.659 -0.621 1.00 65.22 H new ATOM 0 HD3 ARG A 12 -0.298 -11.092 -0.066 1.00 65.22 H new ATOM 0 HE ARG A 12 -0.469 -10.368 -2.274 1.00 72.33 H new ATOM 0 HH11 ARG A 12 1.472 -13.309 -2.086 1.00 64.44 H new ATOM 0 HH12 ARG A 12 1.532 -13.521 -3.839 1.00 64.44 H new ATOM 0 HH21 ARG A 12 -0.389 -10.646 -4.526 1.00 0.13 H new ATOM 0 HH22 ARG A 12 0.483 -12.019 -5.215 1.00 0.13 H new ATOM 124 N ILE A 13 3.379 -8.557 2.156 1.00 20.45 N ATOM 125 CA ILE A 13 4.353 -8.583 3.240 1.00 24.33 C ATOM 126 C ILE A 13 3.722 -8.148 4.558 1.00 54.50 C ATOM 127 O ILE A 13 4.048 -8.678 5.621 1.00 52.31 O ATOM 128 CB ILE A 13 5.558 -7.674 2.936 1.00 42.41 C ATOM 129 CG1 ILE A 13 5.083 -6.263 2.582 1.00 4.22 C ATOM 130 CG2 ILE A 13 6.390 -8.258 1.804 1.00 43.40 C ATOM 131 CD1 ILE A 13 6.210 -5.317 2.230 1.00 52.33 C ATOM 0 H ILE A 13 3.645 -7.974 1.363 1.00 20.45 H new ATOM 0 HA ILE A 13 4.698 -9.613 3.328 1.00 24.33 H new ATOM 0 HB ILE A 13 6.183 -7.614 3.827 1.00 42.41 H new ATOM 0 HG12 ILE A 13 4.392 -6.321 1.741 1.00 4.22 H new ATOM 0 HG13 ILE A 13 4.526 -5.854 3.425 1.00 4.22 H new ATOM 0 HG21 ILE A 13 7.238 -7.604 1.601 1.00 43.40 H new ATOM 0 HG22 ILE A 13 6.753 -9.245 2.091 1.00 43.40 H new ATOM 0 HG23 ILE A 13 5.776 -8.344 0.908 1.00 43.40 H new ATOM 0 HD11 ILE A 13 5.800 -4.336 1.990 1.00 52.33 H new ATOM 0 HD12 ILE A 13 6.889 -5.229 3.078 1.00 52.33 H new ATOM 0 HD13 ILE A 13 6.754 -5.704 1.368 1.00 52.33 H new ATOM 143 N LEU A 14 2.815 -7.180 4.481 1.00 13.13 N ATOM 144 CA LEU A 14 2.134 -6.673 5.668 1.00 24.21 C ATOM 145 C LEU A 14 1.286 -7.763 6.316 1.00 2.44 C ATOM 146 O LEU A 14 1.358 -7.984 7.525 1.00 2.24 O ATOM 147 CB LEU A 14 1.255 -5.476 5.304 1.00 42.43 C ATOM 148 CG LEU A 14 1.842 -4.096 5.605 1.00 52.03 C ATOM 149 CD1 LEU A 14 1.807 -3.816 7.099 1.00 4.21 C ATOM 150 CD2 LEU A 14 3.264 -3.994 5.074 1.00 42.13 C ATOM 0 H LEU A 14 2.534 -6.731 3.610 1.00 13.13 H new ATOM 0 HA LEU A 14 2.892 -6.354 6.383 1.00 24.21 H new ATOM 0 HB2 LEU A 14 1.028 -5.528 4.239 1.00 42.43 H new ATOM 0 HB3 LEU A 14 0.309 -5.570 5.837 1.00 42.43 H new ATOM 0 HG LEU A 14 1.233 -3.345 5.101 1.00 52.03 H new ATOM 0 HD11 LEU A 14 2.229 -2.830 7.294 1.00 4.21 H new ATOM 0 HD12 LEU A 14 0.776 -3.846 7.451 1.00 4.21 H new ATOM 0 HD13 LEU A 14 2.392 -4.571 7.624 1.00 4.21 H new ATOM 0 HD21 LEU A 14 3.666 -3.006 5.297 1.00 42.13 H new ATOM 0 HD22 LEU A 14 3.885 -4.754 5.549 1.00 42.13 H new ATOM 0 HD23 LEU A 14 3.262 -4.150 3.995 1.00 42.13 H new ATOM 162 N LYS A 15 0.484 -8.443 5.504 1.00 1.42 N ATOM 163 CA LYS A 15 -0.376 -9.512 5.997 1.00 60.15 C ATOM 164 C LYS A 15 0.435 -10.769 6.294 1.00 62.22 C ATOM 165 O LYS A 15 -0.036 -11.677 6.979 1.00 14.44 O ATOM 166 CB LYS A 15 -1.469 -9.828 4.973 1.00 42.32 C ATOM 167 CG LYS A 15 -2.495 -8.719 4.817 1.00 41.31 C ATOM 168 CD LYS A 15 -3.573 -9.094 3.814 1.00 13.43 C ATOM 169 CE LYS A 15 -4.704 -9.867 4.475 1.00 12.22 C ATOM 170 NZ LYS A 15 -5.667 -8.962 5.163 1.00 24.41 N ATOM 0 H LYS A 15 0.412 -8.273 4.501 1.00 1.42 H new ATOM 0 HA LYS A 15 -0.841 -9.173 6.923 1.00 60.15 H new ATOM 0 HB2 LYS A 15 -1.004 -10.020 4.006 1.00 42.32 H new ATOM 0 HB3 LYS A 15 -1.979 -10.744 5.270 1.00 42.32 H new ATOM 0 HG2 LYS A 15 -2.953 -8.508 5.783 1.00 41.31 H new ATOM 0 HG3 LYS A 15 -1.998 -7.805 4.493 1.00 41.31 H new ATOM 0 HD2 LYS A 15 -3.970 -8.191 3.350 1.00 13.43 H new ATOM 0 HD3 LYS A 15 -3.137 -9.696 3.017 1.00 13.43 H new ATOM 0 HE2 LYS A 15 -5.231 -10.454 3.723 1.00 12.22 H new ATOM 0 HE3 LYS A 15 -4.289 -10.572 5.196 1.00 12.22 H new ATOM 0 HZ1 LYS A 15 -6.422 -9.527 5.601 1.00 24.41 H new ATOM 0 HZ2 LYS A 15 -5.170 -8.420 5.898 1.00 24.41 H new ATOM 0 HZ3 LYS A 15 -6.082 -8.306 4.471 1.00 24.41 H new ATOM 184 N PHE A 16 1.658 -10.816 5.775 1.00 13.51 N ATOM 185 CA PHE A 16 2.535 -11.961 5.986 1.00 73.53 C ATOM 186 C PHE A 16 2.969 -12.053 7.446 1.00 41.25 C ATOM 187 O PHE A 16 2.634 -13.009 8.146 1.00 10.24 O ATOM 188 CB PHE A 16 3.765 -11.862 5.081 1.00 33.30 C ATOM 189 CG PHE A 16 4.437 -13.183 4.836 1.00 10.04 C ATOM 190 CD1 PHE A 16 5.310 -13.715 5.772 1.00 35.00 C ATOM 191 CD2 PHE A 16 4.197 -13.892 3.671 1.00 72.15 C ATOM 192 CE1 PHE A 16 5.930 -14.930 5.550 1.00 34.32 C ATOM 193 CE2 PHE A 16 4.813 -15.108 3.443 1.00 5.15 C ATOM 194 CZ PHE A 16 5.682 -15.627 4.384 1.00 71.12 C ATOM 0 H PHE A 16 2.064 -10.074 5.205 1.00 13.51 H new ATOM 0 HA PHE A 16 1.979 -12.864 5.734 1.00 73.53 H new ATOM 0 HB2 PHE A 16 3.469 -11.431 4.125 1.00 33.30 H new ATOM 0 HB3 PHE A 16 4.483 -11.176 5.531 1.00 33.30 H new ATOM 0 HD1 PHE A 16 5.508 -13.174 6.685 1.00 35.00 H new ATOM 0 HD2 PHE A 16 3.520 -13.490 2.932 1.00 72.15 H new ATOM 0 HE1 PHE A 16 6.608 -15.334 6.288 1.00 34.32 H new ATOM 0 HE2 PHE A 16 4.616 -15.652 2.531 1.00 5.15 H new ATOM 0 HZ PHE A 16 6.166 -16.576 4.208 1.00 71.12 H new ATOM 204 N LEU A 17 3.717 -11.053 7.897 1.00 4.44 N ATOM 205 CA LEU A 17 4.199 -11.019 9.274 1.00 42.20 C ATOM 206 C LEU A 17 3.055 -10.746 10.245 1.00 51.51 C ATOM 207 O LEU A 17 3.171 -11.001 11.443 1.00 41.11 O ATOM 208 CB LEU A 17 5.282 -9.950 9.430 1.00 11.50 C ATOM 209 CG LEU A 17 4.803 -8.571 9.888 1.00 22.41 C ATOM 210 CD1 LEU A 17 3.643 -8.096 9.027 1.00 21.04 C ATOM 211 CD2 LEU A 17 4.402 -8.607 11.355 1.00 13.15 C ATOM 0 H LEU A 17 4.003 -10.255 7.330 1.00 4.44 H new ATOM 0 HA LEU A 17 4.624 -11.995 9.508 1.00 42.20 H new ATOM 0 HB2 LEU A 17 6.021 -10.312 10.145 1.00 11.50 H new ATOM 0 HB3 LEU A 17 5.792 -9.836 8.474 1.00 11.50 H new ATOM 0 HG LEU A 17 5.625 -7.865 9.774 1.00 22.41 H new ATOM 0 HD11 LEU A 17 3.316 -7.114 9.367 1.00 21.04 H new ATOM 0 HD12 LEU A 17 3.964 -8.031 7.987 1.00 21.04 H new ATOM 0 HD13 LEU A 17 2.817 -8.802 9.108 1.00 21.04 H new ATOM 0 HD21 LEU A 17 4.064 -7.618 11.664 1.00 13.15 H new ATOM 0 HD22 LEU A 17 3.595 -9.326 11.494 1.00 13.15 H new ATOM 0 HD23 LEU A 17 5.260 -8.903 11.959 1.00 13.15 H new ATOM 223 N GLU A 18 1.950 -10.227 9.718 1.00 11.23 N ATOM 224 CA GLU A 18 0.784 -9.921 10.539 1.00 3.32 C ATOM 225 C GLU A 18 0.074 -11.199 10.974 1.00 20.50 C ATOM 226 O GLU A 18 -0.454 -11.282 12.082 1.00 12.53 O ATOM 227 CB GLU A 18 -0.186 -9.021 9.771 1.00 73.30 C ATOM 228 CG GLU A 18 0.036 -7.538 10.015 1.00 74.10 C ATOM 229 CD GLU A 18 -0.970 -6.950 10.985 1.00 15.50 C ATOM 230 OE1 GLU A 18 -2.184 -7.024 10.698 1.00 2.02 O ATOM 231 OE2 GLU A 18 -0.545 -6.415 12.030 1.00 11.30 O ATOM 0 H GLU A 18 1.838 -10.010 8.728 1.00 11.23 H new ATOM 0 HA GLU A 18 1.127 -9.396 11.430 1.00 3.32 H new ATOM 0 HB2 GLU A 18 -0.089 -9.224 8.704 1.00 73.30 H new ATOM 0 HB3 GLU A 18 -1.207 -9.278 10.053 1.00 73.30 H new ATOM 0 HG2 GLU A 18 1.043 -7.384 10.404 1.00 74.10 H new ATOM 0 HG3 GLU A 18 -0.025 -7.004 9.066 1.00 74.10 H new ATOM 238 N GLU A 19 0.066 -12.194 10.092 1.00 30.21 N ATOM 239 CA GLU A 19 -0.580 -13.468 10.384 1.00 34.14 C ATOM 240 C GLU A 19 -0.062 -14.053 11.695 1.00 62.42 C ATOM 241 O GLU A 19 -0.825 -14.614 12.483 1.00 62.35 O ATOM 242 CB GLU A 19 -0.345 -14.459 9.242 1.00 11.32 C ATOM 243 CG GLU A 19 -1.117 -15.759 9.395 1.00 1.50 C ATOM 244 CD GLU A 19 -0.786 -16.765 8.310 1.00 3.20 C ATOM 245 OE1 GLU A 19 0.247 -17.456 8.436 1.00 52.52 O ATOM 246 OE2 GLU A 19 -1.560 -16.861 7.335 1.00 72.21 O ATOM 0 H GLU A 19 0.499 -12.142 9.170 1.00 30.21 H new ATOM 0 HA GLU A 19 -1.650 -13.288 10.484 1.00 34.14 H new ATOM 0 HB2 GLU A 19 -0.626 -13.988 8.300 1.00 11.32 H new ATOM 0 HB3 GLU A 19 0.720 -14.684 9.181 1.00 11.32 H new ATOM 0 HG2 GLU A 19 -0.897 -16.195 10.369 1.00 1.50 H new ATOM 0 HG3 GLU A 19 -2.186 -15.547 9.375 1.00 1.50 H new ATOM 253 N LEU A 20 1.240 -13.919 11.921 1.00 23.42 N ATOM 254 CA LEU A 20 1.863 -14.435 13.136 1.00 53.23 C ATOM 255 C LEU A 20 1.279 -13.762 14.374 1.00 25.12 C ATOM 256 O LEU A 20 1.306 -14.323 15.469 1.00 62.33 O ATOM 257 CB LEU A 20 3.376 -14.218 13.088 1.00 2.34 C ATOM 258 CG LEU A 20 3.886 -12.910 13.694 1.00 12.50 C ATOM 259 CD1 LEU A 20 4.161 -13.081 15.180 1.00 42.21 C ATOM 260 CD2 LEU A 20 5.138 -12.438 12.969 1.00 53.04 C ATOM 0 H LEU A 20 1.885 -13.458 11.280 1.00 23.42 H new ATOM 0 HA LEU A 20 1.658 -15.504 13.196 1.00 53.23 H new ATOM 0 HB2 LEU A 20 3.858 -15.047 13.605 1.00 2.34 H new ATOM 0 HB3 LEU A 20 3.696 -14.262 12.047 1.00 2.34 H new ATOM 0 HG LEU A 20 3.113 -12.151 13.574 1.00 12.50 H new ATOM 0 HD11 LEU A 20 4.523 -12.140 15.594 1.00 42.21 H new ATOM 0 HD12 LEU A 20 3.242 -13.371 15.689 1.00 42.21 H new ATOM 0 HD13 LEU A 20 4.915 -13.855 15.324 1.00 42.21 H new ATOM 0 HD21 LEU A 20 5.487 -11.506 13.414 1.00 53.04 H new ATOM 0 HD22 LEU A 20 5.917 -13.196 13.057 1.00 53.04 H new ATOM 0 HD23 LEU A 20 4.909 -12.274 11.916 1.00 53.04 H new ATOM 272 N GLY A 21 0.751 -12.556 14.193 1.00 55.33 N ATOM 273 CA GLY A 21 0.166 -11.827 15.303 1.00 21.24 C ATOM 274 C GLY A 21 -0.033 -10.357 14.992 1.00 63.10 C ATOM 275 O GLY A 21 0.880 -9.550 15.168 1.00 34.42 O ATOM 0 H GLY A 21 0.718 -12.070 13.297 1.00 55.33 H new ATOM 0 HA2 GLY A 21 -0.794 -12.274 15.561 1.00 21.24 H new ATOM 0 HA3 GLY A 21 0.809 -11.926 16.178 1.00 21.24 H new ATOM 279 N GLU A 22 -1.228 -10.009 14.526 1.00 12.23 N ATOM 280 CA GLU A 22 -1.542 -8.626 14.187 1.00 2.43 C ATOM 281 C GLU A 22 -1.519 -7.742 15.431 1.00 2.02 C ATOM 282 O GLU A 22 -2.368 -7.869 16.312 1.00 30.22 O ATOM 283 CB GLU A 22 -2.913 -8.541 13.513 1.00 2.33 C ATOM 284 CG GLU A 22 -3.425 -7.119 13.353 1.00 35.34 C ATOM 285 CD GLU A 22 -4.498 -7.002 12.288 1.00 34.53 C ATOM 286 OE1 GLU A 22 -5.027 -8.051 11.863 1.00 55.34 O ATOM 287 OE2 GLU A 22 -4.809 -5.864 11.880 1.00 1.14 O ATOM 0 H GLU A 22 -1.994 -10.665 14.375 1.00 12.23 H new ATOM 0 HA GLU A 22 -0.781 -8.268 13.493 1.00 2.43 H new ATOM 0 HB2 GLU A 22 -2.855 -9.010 12.531 1.00 2.33 H new ATOM 0 HB3 GLU A 22 -3.632 -9.114 14.098 1.00 2.33 H new ATOM 0 HG2 GLU A 22 -3.824 -6.771 14.306 1.00 35.34 H new ATOM 0 HG3 GLU A 22 -2.592 -6.463 13.098 1.00 35.34 H new ATOM 294 N GLY A 23 -0.539 -6.846 15.495 1.00 3.34 N ATOM 295 CA GLY A 23 -0.422 -5.954 16.635 1.00 70.43 C ATOM 296 C GLY A 23 0.595 -6.440 17.649 1.00 53.32 C ATOM 297 O GLY A 23 0.588 -6.008 18.802 1.00 43.23 O ATOM 0 H GLY A 23 0.176 -6.721 14.778 1.00 3.34 H new ATOM 0 HA2 GLY A 23 -0.138 -4.961 16.288 1.00 70.43 H new ATOM 0 HA3 GLY A 23 -1.394 -5.857 17.118 1.00 70.43 H new ATOM 301 N LYS A 24 1.471 -7.342 17.220 1.00 10.03 N ATOM 302 CA LYS A 24 2.499 -7.888 18.098 1.00 20.04 C ATOM 303 C LYS A 24 3.890 -7.470 17.633 1.00 2.43 C ATOM 304 O LYS A 24 4.036 -6.778 16.626 1.00 1.00 O ATOM 305 CB LYS A 24 2.402 -9.415 18.143 1.00 4.31 C ATOM 306 CG LYS A 24 1.107 -9.925 18.751 1.00 41.41 C ATOM 307 CD LYS A 24 1.028 -11.441 18.702 1.00 34.24 C ATOM 308 CE LYS A 24 1.389 -12.061 20.043 1.00 22.53 C ATOM 309 NZ LYS A 24 1.838 -13.474 19.898 1.00 0.10 N ATOM 0 H LYS A 24 1.490 -7.711 16.269 1.00 10.03 H new ATOM 0 HA LYS A 24 2.335 -7.490 19.099 1.00 20.04 H new ATOM 0 HB2 LYS A 24 2.497 -9.807 17.130 1.00 4.31 H new ATOM 0 HB3 LYS A 24 3.242 -9.807 18.716 1.00 4.31 H new ATOM 0 HG2 LYS A 24 1.032 -9.589 19.785 1.00 41.41 H new ATOM 0 HG3 LYS A 24 0.259 -9.498 18.215 1.00 41.41 H new ATOM 0 HD2 LYS A 24 0.020 -11.745 18.419 1.00 34.24 H new ATOM 0 HD3 LYS A 24 1.702 -11.817 17.933 1.00 34.24 H new ATOM 0 HE2 LYS A 24 2.179 -11.475 20.513 1.00 22.53 H new ATOM 0 HE3 LYS A 24 0.525 -12.021 20.706 1.00 22.53 H new ATOM 0 HZ1 LYS A 24 2.075 -13.861 20.834 1.00 0.10 H new ATOM 0 HZ2 LYS A 24 1.075 -14.039 19.473 1.00 0.10 H new ATOM 0 HZ3 LYS A 24 2.678 -13.510 19.286 1.00 0.10 H new ATOM 323 N ALA A 25 4.909 -7.895 18.373 1.00 2.20 N ATOM 324 CA ALA A 25 6.288 -7.567 18.034 1.00 44.10 C ATOM 325 C ALA A 25 7.025 -8.786 17.490 1.00 73.42 C ATOM 326 O ALA A 25 6.689 -9.925 17.817 1.00 72.20 O ATOM 327 CB ALA A 25 7.013 -7.010 19.250 1.00 12.05 C ATOM 0 H ALA A 25 4.805 -8.467 19.211 1.00 2.20 H new ATOM 0 HA ALA A 25 6.272 -6.806 17.254 1.00 44.10 H new ATOM 0 HB1 ALA A 25 8.042 -6.770 18.982 1.00 12.05 H new ATOM 0 HB2 ALA A 25 6.507 -6.108 19.593 1.00 12.05 H new ATOM 0 HB3 ALA A 25 7.010 -7.753 20.047 1.00 12.05 H new ATOM 333 N THR A 26 8.031 -8.541 16.656 1.00 31.32 N ATOM 334 CA THR A 26 8.814 -9.619 16.065 1.00 34.30 C ATOM 335 C THR A 26 10.288 -9.242 15.973 1.00 14.00 C ATOM 336 O THR A 26 10.660 -8.090 16.197 1.00 50.41 O ATOM 337 CB THR A 26 8.299 -9.981 14.659 1.00 62.02 C ATOM 338 OG1 THR A 26 8.958 -11.161 14.185 1.00 51.22 O ATOM 339 CG2 THR A 26 8.535 -8.836 13.685 1.00 24.32 C ATOM 0 H THR A 26 8.323 -7.605 16.375 1.00 31.32 H new ATOM 0 HA THR A 26 8.704 -10.485 16.718 1.00 34.30 H new ATOM 0 HB THR A 26 7.227 -10.166 14.725 1.00 62.02 H new ATOM 0 HG1 THR A 26 8.624 -11.386 13.291 1.00 51.22 H new ATOM 0 HG21 THR A 26 8.163 -9.115 12.699 1.00 24.32 H new ATOM 0 HG22 THR A 26 8.008 -7.947 14.034 1.00 24.32 H new ATOM 0 HG23 THR A 26 9.603 -8.624 13.624 1.00 24.32 H new ATOM 347 N THR A 27 11.125 -10.220 15.641 1.00 33.23 N ATOM 348 CA THR A 27 12.559 -9.991 15.520 1.00 12.31 C ATOM 349 C THR A 27 12.994 -9.993 14.059 1.00 24.43 C ATOM 350 O THR A 27 12.178 -10.182 13.159 1.00 74.45 O ATOM 351 CB THR A 27 13.365 -11.056 16.286 1.00 20.24 C ATOM 352 OG1 THR A 27 12.640 -12.291 16.317 1.00 1.33 O ATOM 353 CG2 THR A 27 13.655 -10.597 17.707 1.00 2.03 C ATOM 0 H THR A 27 10.834 -11.179 15.451 1.00 33.23 H new ATOM 0 HA THR A 27 12.761 -9.012 15.955 1.00 12.31 H new ATOM 0 HB THR A 27 14.313 -11.204 15.768 1.00 20.24 H new ATOM 0 HG1 THR A 27 13.160 -12.964 16.804 1.00 1.33 H new ATOM 0 HG21 THR A 27 14.225 -11.366 18.228 1.00 2.03 H new ATOM 0 HG22 THR A 27 14.232 -9.673 17.680 1.00 2.03 H new ATOM 0 HG23 THR A 27 12.716 -10.423 18.232 1.00 2.03 H new ATOM 361 N ALA A 28 14.287 -9.783 13.832 1.00 72.23 N ATOM 362 CA ALA A 28 14.831 -9.764 12.480 1.00 62.44 C ATOM 363 C ALA A 28 14.888 -11.170 11.891 1.00 1.01 C ATOM 364 O ALA A 28 14.442 -11.402 10.767 1.00 41.32 O ATOM 365 CB ALA A 28 16.215 -9.132 12.477 1.00 63.42 C ATOM 0 H ALA A 28 14.976 -9.624 14.567 1.00 72.23 H new ATOM 0 HA ALA A 28 14.168 -9.164 11.857 1.00 62.44 H new ATOM 0 HB1 ALA A 28 16.609 -9.124 11.461 1.00 63.42 H new ATOM 0 HB2 ALA A 28 16.149 -8.109 12.848 1.00 63.42 H new ATOM 0 HB3 ALA A 28 16.880 -9.709 13.120 1.00 63.42 H new ATOM 371 N HIS A 29 15.440 -12.106 12.657 1.00 1.53 N ATOM 372 CA HIS A 29 15.555 -13.489 12.211 1.00 63.41 C ATOM 373 C HIS A 29 14.209 -14.017 11.725 1.00 71.41 C ATOM 374 O HIS A 29 14.147 -14.840 10.811 1.00 20.34 O ATOM 375 CB HIS A 29 16.083 -14.370 13.343 1.00 21.55 C ATOM 376 CG HIS A 29 17.326 -13.837 13.988 1.00 73.43 C ATOM 377 ND1 HIS A 29 18.591 -14.075 13.493 1.00 11.24 N ATOM 378 CD2 HIS A 29 17.492 -13.073 15.092 1.00 22.14 C ATOM 379 CE1 HIS A 29 19.482 -13.481 14.267 1.00 20.11 C ATOM 380 NE2 HIS A 29 18.841 -12.866 15.245 1.00 42.15 N ATOM 0 H HIS A 29 15.815 -11.931 13.590 1.00 1.53 H new ATOM 0 HA HIS A 29 16.259 -13.519 11.379 1.00 63.41 H new ATOM 0 HB2 HIS A 29 15.307 -14.477 14.101 1.00 21.55 H new ATOM 0 HB3 HIS A 29 16.286 -15.367 12.952 1.00 21.55 H new ATOM 0 HD2 HIS A 29 16.709 -12.696 15.734 1.00 22.14 H new ATOM 0 HE1 HIS A 29 20.552 -13.496 14.124 1.00 20.11 H new ATOM 0 HE2 HIS A 29 19.277 -12.325 15.992 1.00 42.15 H new ATOM 388 N ASP A 30 13.134 -13.539 12.342 1.00 70.40 N ATOM 389 CA ASP A 30 11.788 -13.963 11.972 1.00 4.02 C ATOM 390 C ASP A 30 11.295 -13.197 10.749 1.00 72.45 C ATOM 391 O ASP A 30 10.693 -13.775 9.842 1.00 23.42 O ATOM 392 CB ASP A 30 10.826 -13.755 13.142 1.00 15.31 C ATOM 393 CG ASP A 30 9.508 -14.478 12.943 1.00 20.04 C ATOM 394 OD1 ASP A 30 9.348 -15.144 11.899 1.00 50.22 O ATOM 395 OD2 ASP A 30 8.637 -14.379 13.833 1.00 43.02 O ATOM 0 H ASP A 30 13.168 -12.858 13.100 1.00 70.40 H new ATOM 0 HA ASP A 30 11.822 -15.024 11.724 1.00 4.02 H new ATOM 0 HB2 ASP A 30 11.295 -14.107 14.061 1.00 15.31 H new ATOM 0 HB3 ASP A 30 10.637 -12.689 13.268 1.00 15.31 H new ATOM 400 N LEU A 31 11.552 -11.894 10.729 1.00 33.22 N ATOM 401 CA LEU A 31 11.133 -11.048 9.617 1.00 34.21 C ATOM 402 C LEU A 31 11.843 -11.451 8.329 1.00 74.34 C ATOM 403 O LEU A 31 11.206 -11.875 7.364 1.00 62.20 O ATOM 404 CB LEU A 31 11.419 -9.579 9.932 1.00 13.12 C ATOM 405 CG LEU A 31 10.322 -8.829 10.689 1.00 53.35 C ATOM 406 CD1 LEU A 31 10.820 -7.464 11.137 1.00 42.31 C ATOM 407 CD2 LEU A 31 9.079 -8.686 9.822 1.00 35.55 C ATOM 0 H LEU A 31 12.049 -11.400 11.470 1.00 33.22 H new ATOM 0 HA LEU A 31 10.060 -11.181 9.476 1.00 34.21 H new ATOM 0 HB2 LEU A 31 12.338 -9.526 10.516 1.00 13.12 H new ATOM 0 HB3 LEU A 31 11.607 -9.057 8.994 1.00 13.12 H new ATOM 0 HG LEU A 31 10.059 -9.406 11.575 1.00 53.35 H new ATOM 0 HD11 LEU A 31 10.026 -6.945 11.674 1.00 42.31 H new ATOM 0 HD12 LEU A 31 11.681 -7.588 11.794 1.00 42.31 H new ATOM 0 HD13 LEU A 31 11.111 -6.879 10.265 1.00 42.31 H new ATOM 0 HD21 LEU A 31 8.309 -8.150 10.376 1.00 35.55 H new ATOM 0 HD22 LEU A 31 9.328 -8.131 8.918 1.00 35.55 H new ATOM 0 HD23 LEU A 31 8.709 -9.675 9.550 1.00 35.55 H new ATOM 419 N SER A 32 13.165 -11.318 8.321 1.00 1.01 N ATOM 420 CA SER A 32 13.962 -11.667 7.151 1.00 51.23 C ATOM 421 C SER A 32 13.656 -13.088 6.689 1.00 33.42 C ATOM 422 O SER A 32 13.776 -13.409 5.508 1.00 41.04 O ATOM 423 CB SER A 32 15.453 -11.530 7.464 1.00 62.04 C ATOM 424 OG SER A 32 16.217 -12.467 6.725 1.00 63.32 O ATOM 0 H SER A 32 13.707 -10.971 9.112 1.00 1.01 H new ATOM 0 HA SER A 32 13.702 -10.979 6.347 1.00 51.23 H new ATOM 0 HB2 SER A 32 15.786 -10.519 7.229 1.00 62.04 H new ATOM 0 HB3 SER A 32 15.619 -11.681 8.531 1.00 62.04 H new ATOM 0 HG SER A 32 16.159 -12.255 5.770 1.00 63.32 H new ATOM 430 N GLY A 33 13.259 -13.938 7.632 1.00 13.42 N ATOM 431 CA GLY A 33 12.941 -15.315 7.304 1.00 24.20 C ATOM 432 C GLY A 33 11.532 -15.474 6.769 1.00 11.14 C ATOM 433 O GLY A 33 11.257 -16.378 5.980 1.00 0.10 O ATOM 0 H GLY A 33 13.152 -13.697 8.617 1.00 13.42 H new ATOM 0 HA2 GLY A 33 13.651 -15.682 6.563 1.00 24.20 H new ATOM 0 HA3 GLY A 33 13.060 -15.934 8.193 1.00 24.20 H new ATOM 437 N LYS A 34 10.635 -14.594 7.201 1.00 74.11 N ATOM 438 CA LYS A 34 9.245 -14.640 6.762 1.00 40.33 C ATOM 439 C LYS A 34 9.077 -13.943 5.415 1.00 31.40 C ATOM 440 O LYS A 34 8.583 -14.537 4.455 1.00 15.53 O ATOM 441 CB LYS A 34 8.337 -13.983 7.804 1.00 23.02 C ATOM 442 CG LYS A 34 8.095 -14.847 9.030 1.00 53.31 C ATOM 443 CD LYS A 34 6.911 -15.778 8.830 1.00 30.23 C ATOM 444 CE LYS A 34 6.627 -16.594 10.082 1.00 75.10 C ATOM 445 NZ LYS A 34 5.928 -15.789 11.122 1.00 22.10 N ATOM 0 H LYS A 34 10.846 -13.840 7.855 1.00 74.11 H new ATOM 0 HA LYS A 34 8.960 -15.686 6.649 1.00 40.33 H new ATOM 0 HB2 LYS A 34 8.782 -13.038 8.117 1.00 23.02 H new ATOM 0 HB3 LYS A 34 7.379 -13.746 7.341 1.00 23.02 H new ATOM 0 HG2 LYS A 34 8.988 -15.434 9.245 1.00 53.31 H new ATOM 0 HG3 LYS A 34 7.916 -14.210 9.896 1.00 53.31 H new ATOM 0 HD2 LYS A 34 6.029 -15.195 8.566 1.00 30.23 H new ATOM 0 HD3 LYS A 34 7.111 -16.449 7.995 1.00 30.23 H new ATOM 0 HE2 LYS A 34 6.017 -17.459 9.821 1.00 75.10 H new ATOM 0 HE3 LYS A 34 7.564 -16.976 10.487 1.00 75.10 H new ATOM 0 HZ1 LYS A 34 5.752 -16.381 11.959 1.00 22.10 H new ATOM 0 HZ2 LYS A 34 6.521 -14.978 11.390 1.00 22.10 H new ATOM 0 HZ3 LYS A 34 5.022 -15.446 10.744 1.00 22.10 H new ATOM 459 N LEU A 35 9.492 -12.683 5.350 1.00 62.30 N ATOM 460 CA LEU A 35 9.389 -11.906 4.120 1.00 61.34 C ATOM 461 C LEU A 35 10.290 -12.485 3.033 1.00 75.00 C ATOM 462 O LEU A 35 10.075 -12.251 1.845 1.00 53.25 O ATOM 463 CB LEU A 35 9.762 -10.446 4.382 1.00 34.15 C ATOM 464 CG LEU A 35 9.083 -9.786 5.583 1.00 21.03 C ATOM 465 CD1 LEU A 35 9.469 -8.318 5.674 1.00 51.21 C ATOM 466 CD2 LEU A 35 7.572 -9.938 5.492 1.00 53.43 C ATOM 0 H LEU A 35 9.903 -12.177 6.135 1.00 62.30 H new ATOM 0 HA LEU A 35 8.356 -11.954 3.775 1.00 61.34 H new ATOM 0 HB2 LEU A 35 10.841 -10.387 4.522 1.00 34.15 H new ATOM 0 HB3 LEU A 35 9.524 -9.865 3.491 1.00 34.15 H new ATOM 0 HG LEU A 35 9.424 -10.287 6.489 1.00 21.03 H new ATOM 0 HD11 LEU A 35 8.976 -7.865 6.534 1.00 51.21 H new ATOM 0 HD12 LEU A 35 10.550 -8.232 5.788 1.00 51.21 H new ATOM 0 HD13 LEU A 35 9.158 -7.803 4.765 1.00 51.21 H new ATOM 0 HD21 LEU A 35 7.106 -9.462 6.355 1.00 53.43 H new ATOM 0 HD22 LEU A 35 7.213 -9.464 4.578 1.00 53.43 H new ATOM 0 HD23 LEU A 35 7.313 -10.997 5.477 1.00 53.43 H new ATOM 478 N GLY A 36 11.298 -13.244 3.450 1.00 64.53 N ATOM 479 CA GLY A 36 12.215 -13.847 2.500 1.00 40.15 C ATOM 480 C GLY A 36 13.236 -12.858 1.972 1.00 22.45 C ATOM 481 O GLY A 36 13.854 -13.087 0.932 1.00 42.10 O ATOM 0 H GLY A 36 11.496 -13.452 4.429 1.00 64.53 H new ATOM 0 HA2 GLY A 36 12.733 -14.679 2.977 1.00 40.15 H new ATOM 0 HA3 GLY A 36 11.649 -14.260 1.665 1.00 40.15 H new ATOM 485 N THR A 37 13.414 -11.754 2.691 1.00 43.01 N ATOM 486 CA THR A 37 14.365 -10.725 2.288 1.00 22.54 C ATOM 487 C THR A 37 15.608 -10.750 3.171 1.00 61.34 C ATOM 488 O THR A 37 15.598 -11.275 4.284 1.00 12.24 O ATOM 489 CB THR A 37 13.734 -9.322 2.350 1.00 51.21 C ATOM 490 OG1 THR A 37 12.704 -9.291 3.345 1.00 44.33 O ATOM 491 CG2 THR A 37 13.153 -8.930 1.000 1.00 41.05 C ATOM 0 H THR A 37 12.912 -11.550 3.555 1.00 43.01 H new ATOM 0 HA THR A 37 14.649 -10.942 1.258 1.00 22.54 H new ATOM 0 HB THR A 37 14.515 -8.608 2.613 1.00 51.21 H new ATOM 0 HG1 THR A 37 12.309 -8.395 3.379 1.00 44.33 H new ATOM 0 HG21 THR A 37 12.713 -7.935 1.068 1.00 41.05 H new ATOM 0 HG22 THR A 37 13.945 -8.926 0.251 1.00 41.05 H new ATOM 0 HG23 THR A 37 12.385 -9.648 0.712 1.00 41.05 H new ATOM 499 N PRO A 38 16.706 -10.170 2.664 1.00 11.30 N ATOM 500 CA PRO A 38 17.978 -10.111 3.391 1.00 74.31 C ATOM 501 C PRO A 38 17.916 -9.173 4.592 1.00 64.43 C ATOM 502 O PRO A 38 17.006 -8.352 4.706 1.00 62.14 O ATOM 503 CB PRO A 38 18.960 -9.578 2.345 1.00 12.32 C ATOM 504 CG PRO A 38 18.114 -8.813 1.387 1.00 51.25 C ATOM 505 CD PRO A 38 16.790 -9.525 1.343 1.00 43.12 C ATOM 0 HA PRO A 38 18.258 -11.081 3.803 1.00 74.31 H new ATOM 0 HB2 PRO A 38 19.717 -8.940 2.801 1.00 12.32 H new ATOM 0 HB3 PRO A 38 19.487 -10.391 1.846 1.00 12.32 H new ATOM 0 HG2 PRO A 38 17.991 -7.780 1.714 1.00 51.25 H new ATOM 0 HG3 PRO A 38 18.574 -8.782 0.399 1.00 51.25 H new ATOM 0 HD2 PRO A 38 15.965 -8.831 1.182 1.00 43.12 H new ATOM 0 HD3 PRO A 38 16.754 -10.256 0.536 1.00 43.12 H new ATOM 513 N LYS A 39 18.891 -9.300 5.486 1.00 71.30 N ATOM 514 CA LYS A 39 18.950 -8.463 6.678 1.00 33.12 C ATOM 515 C LYS A 39 19.113 -6.993 6.304 1.00 71.54 C ATOM 516 O LYS A 39 18.594 -6.107 6.983 1.00 24.43 O ATOM 517 CB LYS A 39 20.107 -8.902 7.578 1.00 33.44 C ATOM 518 CG LYS A 39 21.460 -8.866 6.890 1.00 3.15 C ATOM 519 CD LYS A 39 22.552 -9.440 7.777 1.00 22.53 C ATOM 520 CE LYS A 39 23.936 -9.058 7.276 1.00 63.01 C ATOM 521 NZ LYS A 39 25.013 -9.605 8.148 1.00 53.24 N ATOM 0 H LYS A 39 19.651 -9.975 5.407 1.00 71.30 H new ATOM 0 HA LYS A 39 18.011 -8.580 7.220 1.00 33.12 H new ATOM 0 HB2 LYS A 39 20.138 -8.257 8.456 1.00 33.44 H new ATOM 0 HB3 LYS A 39 19.916 -9.915 7.933 1.00 33.44 H new ATOM 0 HG2 LYS A 39 21.411 -9.431 5.959 1.00 3.15 H new ATOM 0 HG3 LYS A 39 21.708 -7.838 6.626 1.00 3.15 H new ATOM 0 HD2 LYS A 39 22.421 -9.079 8.797 1.00 22.53 H new ATOM 0 HD3 LYS A 39 22.463 -10.526 7.809 1.00 22.53 H new ATOM 0 HE2 LYS A 39 24.069 -9.428 6.259 1.00 63.01 H new ATOM 0 HE3 LYS A 39 24.020 -7.972 7.233 1.00 63.01 H new ATOM 0 HZ1 LYS A 39 25.941 -9.322 7.773 1.00 53.24 H new ATOM 0 HZ2 LYS A 39 24.902 -9.232 9.112 1.00 53.24 H new ATOM 0 HZ3 LYS A 39 24.949 -10.643 8.169 1.00 53.24 H new ATOM 535 N LYS A 40 19.835 -6.741 5.217 1.00 23.24 N ATOM 536 CA LYS A 40 20.065 -5.379 4.750 1.00 71.42 C ATOM 537 C LYS A 40 18.767 -4.748 4.255 1.00 4.12 C ATOM 538 O LYS A 40 18.619 -3.526 4.263 1.00 22.53 O ATOM 539 CB LYS A 40 21.108 -5.372 3.630 1.00 54.23 C ATOM 540 CG LYS A 40 20.669 -6.123 2.385 1.00 74.31 C ATOM 541 CD LYS A 40 21.641 -7.237 2.034 1.00 32.22 C ATOM 542 CE LYS A 40 22.979 -6.683 1.570 1.00 23.25 C ATOM 543 NZ LYS A 40 23.064 -6.608 0.086 1.00 40.13 N ATOM 0 H LYS A 40 20.271 -7.463 4.643 1.00 23.24 H new ATOM 0 HA LYS A 40 20.438 -4.791 5.589 1.00 71.42 H new ATOM 0 HB2 LYS A 40 21.333 -4.340 3.361 1.00 54.23 H new ATOM 0 HB3 LYS A 40 22.032 -5.813 4.003 1.00 54.23 H new ATOM 0 HG2 LYS A 40 19.675 -6.542 2.543 1.00 74.31 H new ATOM 0 HG3 LYS A 40 20.592 -5.429 1.548 1.00 74.31 H new ATOM 0 HD2 LYS A 40 21.793 -7.877 2.904 1.00 32.22 H new ATOM 0 HD3 LYS A 40 21.213 -7.861 1.250 1.00 32.22 H new ATOM 0 HE2 LYS A 40 23.127 -5.689 1.993 1.00 23.25 H new ATOM 0 HE3 LYS A 40 23.784 -7.313 1.948 1.00 23.25 H new ATOM 0 HZ1 LYS A 40 23.991 -6.225 -0.190 1.00 40.13 H new ATOM 0 HZ2 LYS A 40 22.949 -7.560 -0.317 1.00 40.13 H new ATOM 0 HZ3 LYS A 40 22.312 -5.986 -0.274 1.00 40.13 H new ATOM 557 N GLU A 41 17.831 -5.589 3.827 1.00 50.31 N ATOM 558 CA GLU A 41 16.546 -5.111 3.330 1.00 61.03 C ATOM 559 C GLU A 41 15.586 -4.833 4.483 1.00 51.34 C ATOM 560 O GLU A 41 15.099 -3.713 4.642 1.00 73.12 O ATOM 561 CB GLU A 41 15.930 -6.136 2.375 1.00 25.20 C ATOM 562 CG GLU A 41 14.604 -5.694 1.780 1.00 32.34 C ATOM 563 CD GLU A 41 14.433 -6.138 0.341 1.00 62.05 C ATOM 564 OE1 GLU A 41 15.162 -7.058 -0.086 1.00 73.42 O ATOM 565 OE2 GLU A 41 13.572 -5.565 -0.359 1.00 62.43 O ATOM 0 H GLU A 41 17.938 -6.603 3.814 1.00 50.31 H new ATOM 0 HA GLU A 41 16.718 -4.180 2.790 1.00 61.03 H new ATOM 0 HB2 GLU A 41 16.633 -6.335 1.566 1.00 25.20 H new ATOM 0 HB3 GLU A 41 15.784 -7.075 2.909 1.00 25.20 H new ATOM 0 HG2 GLU A 41 13.788 -6.098 2.380 1.00 32.34 H new ATOM 0 HG3 GLU A 41 14.531 -4.608 1.832 1.00 32.34 H new ATOM 572 N ILE A 42 15.319 -5.859 5.283 1.00 33.00 N ATOM 573 CA ILE A 42 14.418 -5.725 6.421 1.00 32.31 C ATOM 574 C ILE A 42 14.864 -4.598 7.346 1.00 50.22 C ATOM 575 O ILE A 42 14.039 -3.924 7.963 1.00 62.25 O ATOM 576 CB ILE A 42 14.333 -7.034 7.229 1.00 4.30 C ATOM 577 CG1 ILE A 42 15.715 -7.420 7.761 1.00 31.30 C ATOM 578 CG2 ILE A 42 13.759 -8.150 6.370 1.00 30.42 C ATOM 579 CD1 ILE A 42 15.969 -6.955 9.178 1.00 52.13 C ATOM 0 H ILE A 42 15.713 -6.792 5.165 1.00 33.00 H new ATOM 0 HA ILE A 42 13.433 -5.492 6.017 1.00 32.31 H new ATOM 0 HB ILE A 42 13.668 -6.878 8.078 1.00 4.30 H new ATOM 0 HG12 ILE A 42 15.822 -8.504 7.718 1.00 31.30 H new ATOM 0 HG13 ILE A 42 16.478 -6.998 7.107 1.00 31.30 H new ATOM 0 HG21 ILE A 42 13.705 -9.068 6.955 1.00 30.42 H new ATOM 0 HG22 ILE A 42 12.759 -7.874 6.035 1.00 30.42 H new ATOM 0 HG23 ILE A 42 14.401 -8.309 5.503 1.00 30.42 H new ATOM 0 HD11 ILE A 42 16.967 -7.264 9.489 1.00 52.13 H new ATOM 0 HD12 ILE A 42 15.895 -5.868 9.223 1.00 52.13 H new ATOM 0 HD13 ILE A 42 15.229 -7.397 9.844 1.00 52.13 H new ATOM 591 N ALA A 43 16.175 -4.397 7.436 1.00 73.24 N ATOM 592 CA ALA A 43 16.731 -3.349 8.282 1.00 52.32 C ATOM 593 C ALA A 43 16.499 -1.970 7.672 1.00 64.53 C ATOM 594 O ALA A 43 16.486 -0.963 8.379 1.00 52.34 O ATOM 595 CB ALA A 43 18.217 -3.585 8.508 1.00 73.44 C ATOM 0 H ALA A 43 16.872 -4.947 6.933 1.00 73.24 H new ATOM 0 HA ALA A 43 16.219 -3.383 9.244 1.00 52.32 H new ATOM 0 HB1 ALA A 43 18.619 -2.794 9.142 1.00 73.44 H new ATOM 0 HB2 ALA A 43 18.362 -4.549 8.995 1.00 73.44 H new ATOM 0 HB3 ALA A 43 18.736 -3.581 7.549 1.00 73.44 H new ATOM 601 N ARG A 44 16.319 -1.934 6.356 1.00 54.24 N ATOM 602 CA ARG A 44 16.090 -0.678 5.650 1.00 32.54 C ATOM 603 C ARG A 44 14.607 -0.317 5.650 1.00 22.33 C ATOM 604 O ARG A 44 14.231 0.807 5.983 1.00 62.15 O ATOM 605 CB ARG A 44 16.602 -0.776 4.212 1.00 0.03 C ATOM 606 CG ARG A 44 17.349 0.463 3.747 1.00 65.14 C ATOM 607 CD ARG A 44 18.815 0.413 4.149 1.00 42.13 C ATOM 608 NE ARG A 44 19.024 0.885 5.515 1.00 43.01 N ATOM 609 CZ ARG A 44 20.181 0.780 6.160 1.00 51.23 C ATOM 610 NH1 ARG A 44 21.227 0.223 5.565 1.00 0.32 N ATOM 611 NH2 ARG A 44 20.293 1.233 7.402 1.00 50.43 N ATOM 0 H ARG A 44 16.327 -2.759 5.757 1.00 54.24 H new ATOM 0 HA ARG A 44 16.638 0.108 6.171 1.00 32.54 H new ATOM 0 HB2 ARG A 44 17.261 -1.640 4.128 1.00 0.03 H new ATOM 0 HB3 ARG A 44 15.758 -0.953 3.546 1.00 0.03 H new ATOM 0 HG2 ARG A 44 17.270 0.551 2.663 1.00 65.14 H new ATOM 0 HG3 ARG A 44 16.884 1.351 4.174 1.00 65.14 H new ATOM 0 HD2 ARG A 44 19.181 -0.610 4.059 1.00 42.13 H new ATOM 0 HD3 ARG A 44 19.401 1.023 3.461 1.00 42.13 H new ATOM 0 HE ARG A 44 18.239 1.319 6.001 1.00 43.01 H new ATOM 0 HH11 ARG A 44 21.145 -0.126 4.610 1.00 0.32 H new ATOM 0 HH12 ARG A 44 22.114 0.144 6.062 1.00 0.32 H new ATOM 0 HH21 ARG A 44 19.491 1.662 7.863 1.00 50.43 H new ATOM 0 HH22 ARG A 44 21.182 1.152 7.896 1.00 50.43 H new ATOM 625 N VAL A 45 13.769 -1.278 5.275 1.00 63.53 N ATOM 626 CA VAL A 45 12.328 -1.062 5.232 1.00 60.54 C ATOM 627 C VAL A 45 11.769 -0.808 6.627 1.00 75.22 C ATOM 628 O VAL A 45 10.768 -0.108 6.789 1.00 43.25 O ATOM 629 CB VAL A 45 11.598 -2.268 4.610 1.00 42.24 C ATOM 630 CG1 VAL A 45 10.091 -2.099 4.728 1.00 41.33 C ATOM 631 CG2 VAL A 45 12.011 -2.448 3.156 1.00 15.25 C ATOM 0 H VAL A 45 14.064 -2.214 4.997 1.00 63.53 H new ATOM 0 HA VAL A 45 12.158 -0.183 4.610 1.00 60.54 H new ATOM 0 HB VAL A 45 11.882 -3.166 5.159 1.00 42.24 H new ATOM 0 HG11 VAL A 45 9.592 -2.960 4.283 1.00 41.33 H new ATOM 0 HG12 VAL A 45 9.815 -2.023 5.780 1.00 41.33 H new ATOM 0 HG13 VAL A 45 9.785 -1.193 4.206 1.00 41.33 H new ATOM 0 HG21 VAL A 45 11.486 -3.304 2.732 1.00 15.25 H new ATOM 0 HG22 VAL A 45 11.757 -1.551 2.592 1.00 15.25 H new ATOM 0 HG23 VAL A 45 13.086 -2.618 3.102 1.00 15.25 H new ATOM 641 N LEU A 46 12.420 -1.381 7.633 1.00 61.02 N ATOM 642 CA LEU A 46 11.988 -1.216 9.017 1.00 64.35 C ATOM 643 C LEU A 46 12.485 0.108 9.588 1.00 62.20 C ATOM 644 O LEU A 46 11.743 0.822 10.261 1.00 31.04 O ATOM 645 CB LEU A 46 12.498 -2.377 9.872 1.00 21.41 C ATOM 646 CG LEU A 46 12.154 -2.316 11.361 1.00 43.42 C ATOM 647 CD1 LEU A 46 13.168 -1.463 12.108 1.00 50.22 C ATOM 648 CD2 LEU A 46 10.747 -1.772 11.561 1.00 30.40 C ATOM 0 H LEU A 46 13.249 -1.964 7.517 1.00 61.02 H new ATOM 0 HA LEU A 46 10.898 -1.211 9.034 1.00 64.35 H new ATOM 0 HB2 LEU A 46 12.097 -3.305 9.465 1.00 21.41 H new ATOM 0 HB3 LEU A 46 13.582 -2.427 9.772 1.00 21.41 H new ATOM 0 HG LEU A 46 12.192 -3.328 11.765 1.00 43.42 H new ATOM 0 HD11 LEU A 46 12.907 -1.431 13.166 1.00 50.22 H new ATOM 0 HD12 LEU A 46 14.162 -1.895 11.992 1.00 50.22 H new ATOM 0 HD13 LEU A 46 13.162 -0.451 11.702 1.00 50.22 H new ATOM 0 HD21 LEU A 46 10.519 -1.736 12.626 1.00 30.40 H new ATOM 0 HD22 LEU A 46 10.682 -0.768 11.141 1.00 30.40 H new ATOM 0 HD23 LEU A 46 10.031 -2.422 11.059 1.00 30.40 H new ATOM 660 N ALA A 47 13.745 0.430 9.313 1.00 72.24 N ATOM 661 CA ALA A 47 14.339 1.670 9.796 1.00 64.14 C ATOM 662 C ALA A 47 13.752 2.878 9.074 1.00 73.10 C ATOM 663 O ALA A 47 13.744 3.988 9.606 1.00 22.23 O ATOM 664 CB ALA A 47 15.851 1.633 9.623 1.00 54.13 C ATOM 0 H ALA A 47 14.374 -0.151 8.758 1.00 72.24 H new ATOM 0 HA ALA A 47 14.107 1.766 10.857 1.00 64.14 H new ATOM 0 HB1 ALA A 47 16.282 2.565 9.988 1.00 54.13 H new ATOM 0 HB2 ALA A 47 16.262 0.797 10.190 1.00 54.13 H new ATOM 0 HB3 ALA A 47 16.094 1.510 8.567 1.00 54.13 H new ATOM 670 N SER A 48 13.261 2.655 7.859 1.00 33.41 N ATOM 671 CA SER A 48 12.675 3.726 7.062 1.00 11.35 C ATOM 672 C SER A 48 11.235 3.995 7.488 1.00 34.51 C ATOM 673 O SER A 48 10.881 5.117 7.852 1.00 51.04 O ATOM 674 CB SER A 48 12.721 3.369 5.576 1.00 43.04 C ATOM 675 OG SER A 48 12.322 4.468 4.774 1.00 24.34 O ATOM 0 H SER A 48 13.258 1.742 7.405 1.00 33.41 H new ATOM 0 HA SER A 48 13.260 4.631 7.229 1.00 11.35 H new ATOM 0 HB2 SER A 48 13.731 3.064 5.303 1.00 43.04 H new ATOM 0 HB3 SER A 48 12.068 2.518 5.383 1.00 43.04 H new ATOM 0 HG SER A 48 12.362 4.214 3.828 1.00 24.34 H new ATOM 681 N LEU A 49 10.407 2.956 7.440 1.00 3.31 N ATOM 682 CA LEU A 49 9.004 3.078 7.820 1.00 22.24 C ATOM 683 C LEU A 49 8.870 3.578 9.255 1.00 23.43 C ATOM 684 O LEU A 49 8.026 4.422 9.553 1.00 72.13 O ATOM 685 CB LEU A 49 8.296 1.730 7.669 1.00 11.44 C ATOM 686 CG LEU A 49 7.635 1.467 6.316 1.00 44.33 C ATOM 687 CD1 LEU A 49 6.410 2.350 6.139 1.00 12.21 C ATOM 688 CD2 LEU A 49 8.627 1.697 5.185 1.00 65.53 C ATOM 0 H LEU A 49 10.683 2.021 7.142 1.00 3.31 H new ATOM 0 HA LEU A 49 8.535 3.805 7.157 1.00 22.24 H new ATOM 0 HB2 LEU A 49 9.021 0.938 7.856 1.00 11.44 H new ATOM 0 HB3 LEU A 49 7.534 1.654 8.444 1.00 11.44 H new ATOM 0 HG LEU A 49 7.314 0.426 6.287 1.00 44.33 H new ATOM 0 HD11 LEU A 49 5.953 2.148 5.170 1.00 12.21 H new ATOM 0 HD12 LEU A 49 5.691 2.138 6.930 1.00 12.21 H new ATOM 0 HD13 LEU A 49 6.706 3.398 6.189 1.00 12.21 H new ATOM 0 HD21 LEU A 49 8.140 1.505 4.229 1.00 65.53 H new ATOM 0 HD22 LEU A 49 8.978 2.729 5.213 1.00 65.53 H new ATOM 0 HD23 LEU A 49 9.475 1.022 5.302 1.00 65.53 H new ATOM 700 N ALA A 50 9.711 3.052 10.140 1.00 34.45 N ATOM 701 CA ALA A 50 9.689 3.447 11.543 1.00 11.42 C ATOM 702 C ALA A 50 9.895 4.951 11.693 1.00 60.14 C ATOM 703 O ALA A 50 9.455 5.554 12.671 1.00 11.44 O ATOM 704 CB ALA A 50 10.752 2.687 12.323 1.00 54.04 C ATOM 0 H ALA A 50 10.416 2.351 9.910 1.00 34.45 H new ATOM 0 HA ALA A 50 8.709 3.198 11.949 1.00 11.42 H new ATOM 0 HB1 ALA A 50 10.724 2.992 13.369 1.00 54.04 H new ATOM 0 HB2 ALA A 50 10.559 1.616 12.252 1.00 54.04 H new ATOM 0 HB3 ALA A 50 11.735 2.907 11.907 1.00 54.04 H new ATOM 710 N LYS A 51 10.568 5.551 10.716 1.00 14.14 N ATOM 711 CA LYS A 51 10.832 6.985 10.738 1.00 23.21 C ATOM 712 C LYS A 51 9.595 7.773 10.321 1.00 33.11 C ATOM 713 O LYS A 51 9.483 8.967 10.599 1.00 4.13 O ATOM 714 CB LYS A 51 12.002 7.322 9.810 1.00 15.43 C ATOM 715 CG LYS A 51 12.412 8.784 9.856 1.00 12.12 C ATOM 716 CD LYS A 51 13.723 9.019 9.125 1.00 71.52 C ATOM 717 CE LYS A 51 13.511 9.133 7.623 1.00 33.20 C ATOM 718 NZ LYS A 51 14.786 9.396 6.901 1.00 2.10 N ATOM 0 H LYS A 51 10.940 5.066 9.899 1.00 14.14 H new ATOM 0 HA LYS A 51 11.092 7.266 11.759 1.00 23.21 H new ATOM 0 HB2 LYS A 51 12.859 6.704 10.080 1.00 15.43 H new ATOM 0 HB3 LYS A 51 11.730 7.061 8.787 1.00 15.43 H new ATOM 0 HG2 LYS A 51 11.630 9.396 9.408 1.00 12.12 H new ATOM 0 HG3 LYS A 51 12.511 9.103 10.894 1.00 12.12 H new ATOM 0 HD2 LYS A 51 14.190 9.930 9.498 1.00 71.52 H new ATOM 0 HD3 LYS A 51 14.410 8.199 9.335 1.00 71.52 H new ATOM 0 HE2 LYS A 51 13.065 8.212 7.248 1.00 33.20 H new ATOM 0 HE3 LYS A 51 12.804 9.936 7.416 1.00 33.20 H new ATOM 0 HZ1 LYS A 51 14.599 9.467 5.880 1.00 2.10 H new ATOM 0 HZ2 LYS A 51 15.199 10.288 7.240 1.00 2.10 H new ATOM 0 HZ3 LYS A 51 15.452 8.617 7.077 1.00 2.10 H new ATOM 732 N LYS A 52 8.666 7.097 9.654 1.00 53.15 N ATOM 733 CA LYS A 52 7.434 7.733 9.200 1.00 21.43 C ATOM 734 C LYS A 52 6.350 7.642 10.269 1.00 12.23 C ATOM 735 O LYS A 52 5.371 8.387 10.239 1.00 71.32 O ATOM 736 CB LYS A 52 6.945 7.079 7.906 1.00 31.30 C ATOM 737 CG LYS A 52 6.002 7.956 7.100 1.00 24.40 C ATOM 738 CD LYS A 52 5.048 7.124 6.260 1.00 63.54 C ATOM 739 CE LYS A 52 3.906 6.570 7.097 1.00 31.33 C ATOM 740 NZ LYS A 52 3.037 5.650 6.312 1.00 41.25 N ATOM 0 H LYS A 52 8.742 6.108 9.415 1.00 53.15 H new ATOM 0 HA LYS A 52 7.646 8.785 9.010 1.00 21.43 H new ATOM 0 HB2 LYS A 52 7.807 6.824 7.289 1.00 31.30 H new ATOM 0 HB3 LYS A 52 6.440 6.144 8.150 1.00 31.30 H new ATOM 0 HG2 LYS A 52 5.432 8.595 7.775 1.00 24.40 H new ATOM 0 HG3 LYS A 52 6.581 8.614 6.451 1.00 24.40 H new ATOM 0 HD2 LYS A 52 4.645 7.735 5.452 1.00 63.54 H new ATOM 0 HD3 LYS A 52 5.593 6.302 5.796 1.00 63.54 H new ATOM 0 HE2 LYS A 52 4.312 6.039 7.958 1.00 31.33 H new ATOM 0 HE3 LYS A 52 3.306 7.394 7.484 1.00 31.33 H new ATOM 0 HZ1 LYS A 52 2.271 5.294 6.919 1.00 41.25 H new ATOM 0 HZ2 LYS A 52 2.629 6.163 5.504 1.00 41.25 H new ATOM 0 HZ3 LYS A 52 3.603 4.850 5.964 1.00 41.25 H new ATOM 754 N GLY A 53 6.532 6.725 11.215 1.00 2.51 N ATOM 755 CA GLY A 53 5.562 6.556 12.281 1.00 40.11 C ATOM 756 C GLY A 53 4.615 5.401 12.024 1.00 34.04 C ATOM 757 O GLY A 53 3.576 5.283 12.675 1.00 0.31 O ATOM 0 H GLY A 53 7.334 6.096 11.262 1.00 2.51 H new ATOM 0 HA2 GLY A 53 6.086 6.390 13.222 1.00 40.11 H new ATOM 0 HA3 GLY A 53 4.987 7.475 12.394 1.00 40.11 H new ATOM 761 N LYS A 54 4.971 4.546 11.072 1.00 21.20 N ATOM 762 CA LYS A 54 4.146 3.394 10.729 1.00 33.35 C ATOM 763 C LYS A 54 4.767 2.104 11.256 1.00 72.34 C ATOM 764 O LYS A 54 4.142 1.043 11.221 1.00 62.44 O ATOM 765 CB LYS A 54 3.964 3.303 9.213 1.00 45.34 C ATOM 766 CG LYS A 54 2.884 2.324 8.786 1.00 4.04 C ATOM 767 CD LYS A 54 1.527 2.711 9.349 1.00 41.42 C ATOM 768 CE LYS A 54 0.398 2.003 8.616 1.00 14.43 C ATOM 769 NZ LYS A 54 0.013 2.718 7.368 1.00 72.45 N ATOM 0 H LYS A 54 5.827 4.629 10.523 1.00 21.20 H new ATOM 0 HA LYS A 54 3.171 3.525 11.198 1.00 33.35 H new ATOM 0 HB2 LYS A 54 3.720 4.292 8.825 1.00 45.34 H new ATOM 0 HB3 LYS A 54 4.910 3.007 8.759 1.00 45.34 H new ATOM 0 HG2 LYS A 54 2.831 2.291 7.698 1.00 4.04 H new ATOM 0 HG3 LYS A 54 3.146 1.321 9.123 1.00 4.04 H new ATOM 0 HD2 LYS A 54 1.487 2.461 10.409 1.00 41.42 H new ATOM 0 HD3 LYS A 54 1.393 3.790 9.270 1.00 41.42 H new ATOM 0 HE2 LYS A 54 0.705 0.986 8.372 1.00 14.43 H new ATOM 0 HE3 LYS A 54 -0.469 1.925 9.272 1.00 14.43 H new ATOM 0 HZ1 LYS A 54 -0.759 2.204 6.898 1.00 72.45 H new ATOM 0 HZ2 LYS A 54 -0.304 3.680 7.603 1.00 72.45 H new ATOM 0 HZ3 LYS A 54 0.833 2.770 6.731 1.00 72.45 H new ATOM 783 N LEU A 55 5.998 2.202 11.744 1.00 22.21 N ATOM 784 CA LEU A 55 6.703 1.042 12.280 1.00 44.44 C ATOM 785 C LEU A 55 7.328 1.363 13.634 1.00 60.31 C ATOM 786 O LEU A 55 7.299 2.507 14.086 1.00 41.04 O ATOM 787 CB LEU A 55 7.786 0.583 11.302 1.00 62.13 C ATOM 788 CG LEU A 55 7.447 -0.642 10.452 1.00 70.21 C ATOM 789 CD1 LEU A 55 7.306 -1.877 11.328 1.00 24.21 C ATOM 790 CD2 LEU A 55 6.172 -0.403 9.656 1.00 43.21 C ATOM 0 H LEU A 55 6.529 3.072 11.780 1.00 22.21 H new ATOM 0 HA LEU A 55 5.980 0.238 12.416 1.00 44.44 H new ATOM 0 HB2 LEU A 55 8.018 1.412 10.633 1.00 62.13 H new ATOM 0 HB3 LEU A 55 8.692 0.368 11.869 1.00 62.13 H new ATOM 0 HG LEU A 55 8.264 -0.810 9.750 1.00 70.21 H new ATOM 0 HD11 LEU A 55 7.065 -2.739 10.706 1.00 24.21 H new ATOM 0 HD12 LEU A 55 8.244 -2.060 11.853 1.00 24.21 H new ATOM 0 HD13 LEU A 55 6.508 -1.719 12.054 1.00 24.21 H new ATOM 0 HD21 LEU A 55 5.946 -1.285 9.057 1.00 43.21 H new ATOM 0 HD22 LEU A 55 5.347 -0.208 10.341 1.00 43.21 H new ATOM 0 HD23 LEU A 55 6.309 0.456 8.999 1.00 43.21 H new ATOM 802 N GLN A 56 7.893 0.345 14.275 1.00 64.34 N ATOM 803 CA GLN A 56 8.526 0.519 15.576 1.00 4.05 C ATOM 804 C GLN A 56 9.750 -0.381 15.712 1.00 71.51 C ATOM 805 O GLN A 56 9.812 -1.456 15.115 1.00 62.42 O ATOM 806 CB GLN A 56 7.529 0.217 16.697 1.00 64.45 C ATOM 807 CG GLN A 56 6.583 1.368 16.996 1.00 72.14 C ATOM 808 CD GLN A 56 6.061 1.340 18.419 1.00 70.34 C ATOM 809 OE1 GLN A 56 4.911 0.973 18.663 1.00 23.33 O ATOM 810 NE2 GLN A 56 6.905 1.728 19.367 1.00 65.00 N ATOM 0 H GLN A 56 7.925 -0.609 13.914 1.00 64.34 H new ATOM 0 HA GLN A 56 8.850 1.556 15.657 1.00 4.05 H new ATOM 0 HB2 GLN A 56 6.944 -0.662 16.425 1.00 64.45 H new ATOM 0 HB3 GLN A 56 8.079 -0.035 17.603 1.00 64.45 H new ATOM 0 HG2 GLN A 56 7.099 2.312 16.821 1.00 72.14 H new ATOM 0 HG3 GLN A 56 5.742 1.331 16.304 1.00 72.14 H new ATOM 0 HE21 GLN A 56 7.849 2.024 19.119 1.00 65.00 H new ATOM 0 HE22 GLN A 56 6.610 1.730 20.343 1.00 65.00 H new ATOM 819 N LYS A 57 10.722 0.064 16.500 1.00 10.24 N ATOM 820 CA LYS A 57 11.944 -0.701 16.716 1.00 44.11 C ATOM 821 C LYS A 57 12.427 -0.561 18.156 1.00 31.21 C ATOM 822 O LYS A 57 12.798 0.528 18.592 1.00 20.25 O ATOM 823 CB LYS A 57 13.039 -0.235 15.753 1.00 54.22 C ATOM 824 CG LYS A 57 13.162 1.276 15.658 1.00 4.00 C ATOM 825 CD LYS A 57 14.578 1.698 15.302 1.00 0.34 C ATOM 826 CE LYS A 57 14.855 1.523 13.817 1.00 3.41 C ATOM 827 NZ LYS A 57 15.919 2.450 13.339 1.00 75.35 N ATOM 0 H LYS A 57 10.687 0.952 17.001 1.00 10.24 H new ATOM 0 HA LYS A 57 11.723 -1.751 16.526 1.00 44.11 H new ATOM 0 HB2 LYS A 57 13.994 -0.650 16.074 1.00 54.22 H new ATOM 0 HB3 LYS A 57 12.834 -0.638 14.761 1.00 54.22 H new ATOM 0 HG2 LYS A 57 12.469 1.652 14.905 1.00 4.00 H new ATOM 0 HG3 LYS A 57 12.875 1.726 16.608 1.00 4.00 H new ATOM 0 HD2 LYS A 57 14.729 2.741 15.581 1.00 0.34 H new ATOM 0 HD3 LYS A 57 15.290 1.108 15.878 1.00 0.34 H new ATOM 0 HE2 LYS A 57 15.156 0.494 13.622 1.00 3.41 H new ATOM 0 HE3 LYS A 57 13.939 1.700 13.253 1.00 3.41 H new ATOM 0 HZ1 LYS A 57 16.079 2.300 12.322 1.00 75.35 H new ATOM 0 HZ2 LYS A 57 15.622 3.433 13.502 1.00 75.35 H new ATOM 0 HZ3 LYS A 57 16.800 2.265 13.859 1.00 75.35 H new ATOM 841 N GLU A 58 12.420 -1.671 18.888 1.00 10.11 N ATOM 842 CA GLU A 58 12.858 -1.671 20.279 1.00 50.50 C ATOM 843 C GLU A 58 14.356 -1.398 20.377 1.00 2.25 C ATOM 844 O GLU A 58 15.167 -2.324 20.395 1.00 55.33 O ATOM 845 CB GLU A 58 12.528 -3.010 20.941 1.00 13.33 C ATOM 846 CG GLU A 58 12.372 -2.920 22.450 1.00 32.51 C ATOM 847 CD GLU A 58 11.696 -4.143 23.040 1.00 25.22 C ATOM 848 OE1 GLU A 58 12.387 -5.164 23.240 1.00 33.33 O ATOM 849 OE2 GLU A 58 10.477 -4.078 23.302 1.00 70.30 O ATOM 0 H GLU A 58 12.116 -2.581 18.541 1.00 10.11 H new ATOM 0 HA GLU A 58 12.326 -0.876 20.801 1.00 50.50 H new ATOM 0 HB2 GLU A 58 11.606 -3.401 20.511 1.00 13.33 H new ATOM 0 HB3 GLU A 58 13.317 -3.725 20.708 1.00 13.33 H new ATOM 0 HG2 GLU A 58 13.354 -2.796 22.906 1.00 32.51 H new ATOM 0 HG3 GLU A 58 11.791 -2.032 22.699 1.00 32.51 H new ATOM 856 N ALA A 59 14.716 -0.120 20.441 1.00 0.02 N ATOM 857 CA ALA A 59 16.116 0.275 20.539 1.00 15.54 C ATOM 858 C ALA A 59 16.619 0.162 21.974 1.00 13.24 C ATOM 859 O ALA A 59 16.584 1.130 22.733 1.00 15.01 O ATOM 860 CB ALA A 59 16.300 1.695 20.024 1.00 42.02 C ATOM 0 H ALA A 59 14.058 0.659 20.427 1.00 0.02 H new ATOM 0 HA ALA A 59 16.704 -0.404 19.921 1.00 15.54 H new ATOM 0 HB1 ALA A 59 17.350 1.977 20.103 1.00 42.02 H new ATOM 0 HB2 ALA A 59 15.988 1.747 18.981 1.00 42.02 H new ATOM 0 HB3 ALA A 59 15.695 2.379 20.619 1.00 42.02 H new ATOM 866 N GLY A 60 17.086 -1.027 22.341 1.00 65.43 N ATOM 867 CA GLY A 60 17.589 -1.245 23.685 1.00 63.15 C ATOM 868 C GLY A 60 18.230 -2.609 23.850 1.00 43.31 C ATOM 869 O GLY A 60 18.481 -3.309 22.868 1.00 22.04 O ATOM 0 H GLY A 60 17.125 -1.844 21.731 1.00 65.43 H new ATOM 0 HA2 GLY A 60 18.319 -0.472 23.926 1.00 63.15 H new ATOM 0 HA3 GLY A 60 16.770 -1.143 24.397 1.00 63.15 H new ATOM 873 N THR A 61 18.499 -2.988 25.096 1.00 54.34 N ATOM 874 CA THR A 61 19.117 -4.275 25.386 1.00 1.04 C ATOM 875 C THR A 61 18.468 -5.392 24.577 1.00 30.15 C ATOM 876 O THR A 61 19.100 -6.028 23.734 1.00 71.14 O ATOM 877 CB THR A 61 19.021 -4.619 26.885 1.00 54.12 C ATOM 878 OG1 THR A 61 18.220 -3.643 27.561 1.00 40.01 O ATOM 879 CG2 THR A 61 20.403 -4.674 27.517 1.00 20.53 C ATOM 0 H THR A 61 18.298 -2.421 25.920 1.00 54.34 H new ATOM 0 HA THR A 61 20.167 -4.191 25.106 1.00 1.04 H new ATOM 0 HB THR A 61 18.556 -5.600 26.981 1.00 54.12 H new ATOM 0 HG1 THR A 61 18.162 -3.869 28.513 1.00 40.01 H new ATOM 0 HG21 THR A 61 20.310 -4.918 28.575 1.00 20.53 H new ATOM 0 HG22 THR A 61 21.000 -5.438 27.019 1.00 20.53 H new ATOM 0 HG23 THR A 61 20.891 -3.705 27.410 1.00 20.53 H new ATOM 887 N PRO A 62 17.176 -5.638 24.838 1.00 35.41 N ATOM 888 CA PRO A 62 16.412 -6.679 24.143 1.00 22.21 C ATOM 889 C PRO A 62 16.152 -6.329 22.682 1.00 62.21 C ATOM 890 O PRO A 62 15.396 -5.411 22.363 1.00 30.34 O ATOM 891 CB PRO A 62 15.096 -6.734 24.922 1.00 12.44 C ATOM 892 CG PRO A 62 14.960 -5.381 25.532 1.00 61.02 C ATOM 893 CD PRO A 62 16.360 -4.919 25.831 1.00 74.31 C ATOM 0 HA PRO A 62 16.947 -7.628 24.117 1.00 22.21 H new ATOM 0 HB2 PRO A 62 14.256 -6.958 24.265 1.00 12.44 H new ATOM 0 HB3 PRO A 62 15.120 -7.512 25.685 1.00 12.44 H new ATOM 0 HG2 PRO A 62 14.460 -4.694 24.850 1.00 61.02 H new ATOM 0 HG3 PRO A 62 14.360 -5.421 26.441 1.00 61.02 H new ATOM 0 HD2 PRO A 62 16.458 -3.839 25.725 1.00 74.31 H new ATOM 0 HD3 PRO A 62 16.656 -5.167 26.850 1.00 74.31 H new ATOM 901 N PRO A 63 16.792 -7.077 21.771 1.00 41.14 N ATOM 902 CA PRO A 63 16.645 -6.865 20.328 1.00 54.53 C ATOM 903 C PRO A 63 15.261 -7.258 19.822 1.00 32.03 C ATOM 904 O PRO A 63 15.001 -8.429 19.542 1.00 13.01 O ATOM 905 CB PRO A 63 17.714 -7.778 19.724 1.00 41.15 C ATOM 906 CG PRO A 63 17.921 -8.844 20.743 1.00 62.52 C ATOM 907 CD PRO A 63 17.709 -8.188 22.079 1.00 53.54 C ATOM 0 HA PRO A 63 16.759 -5.815 20.057 1.00 54.53 H new ATOM 0 HB2 PRO A 63 17.385 -8.198 18.773 1.00 41.15 H new ATOM 0 HB3 PRO A 63 18.637 -7.232 19.529 1.00 41.15 H new ATOM 0 HG2 PRO A 63 17.220 -9.665 20.596 1.00 62.52 H new ATOM 0 HG3 PRO A 63 18.924 -9.264 20.670 1.00 62.52 H new ATOM 0 HD2 PRO A 63 17.275 -8.879 22.802 1.00 53.54 H new ATOM 0 HD3 PRO A 63 18.646 -7.829 22.504 1.00 53.54 H new ATOM 915 N LEU A 64 14.376 -6.274 19.708 1.00 41.35 N ATOM 916 CA LEU A 64 13.018 -6.517 19.235 1.00 74.22 C ATOM 917 C LEU A 64 12.518 -5.351 18.388 1.00 5.21 C ATOM 918 O LEU A 64 13.088 -4.260 18.419 1.00 22.03 O ATOM 919 CB LEU A 64 12.077 -6.741 20.420 1.00 73.41 C ATOM 920 CG LEU A 64 11.426 -8.122 20.508 1.00 21.35 C ATOM 921 CD1 LEU A 64 10.705 -8.457 19.212 1.00 12.31 C ATOM 922 CD2 LEU A 64 12.468 -9.183 20.830 1.00 65.30 C ATOM 0 H LEU A 64 14.575 -5.300 19.937 1.00 41.35 H new ATOM 0 HA LEU A 64 13.031 -7.413 18.614 1.00 74.22 H new ATOM 0 HB2 LEU A 64 12.635 -6.565 21.340 1.00 73.41 H new ATOM 0 HB3 LEU A 64 11.287 -5.991 20.378 1.00 73.41 H new ATOM 0 HG LEU A 64 10.692 -8.105 21.314 1.00 21.35 H new ATOM 0 HD11 LEU A 64 10.248 -9.443 19.294 1.00 12.31 H new ATOM 0 HD12 LEU A 64 9.931 -7.713 19.024 1.00 12.31 H new ATOM 0 HD13 LEU A 64 11.418 -8.455 18.388 1.00 12.31 H new ATOM 0 HD21 LEU A 64 11.987 -10.159 20.889 1.00 65.30 H new ATOM 0 HD22 LEU A 64 13.226 -9.198 20.047 1.00 65.30 H new ATOM 0 HD23 LEU A 64 12.939 -8.952 21.786 1.00 65.30 H new ATOM 934 N TRP A 65 11.451 -5.588 17.635 1.00 71.13 N ATOM 935 CA TRP A 65 10.873 -4.556 16.781 1.00 64.10 C ATOM 936 C TRP A 65 9.354 -4.673 16.737 1.00 31.22 C ATOM 937 O TRP A 65 8.808 -5.774 16.662 1.00 33.15 O ATOM 938 CB TRP A 65 11.446 -4.656 15.366 1.00 21.42 C ATOM 939 CG TRP A 65 12.779 -5.340 15.312 1.00 73.11 C ATOM 940 CD1 TRP A 65 13.019 -6.641 14.972 1.00 2.11 C ATOM 941 CD2 TRP A 65 14.053 -4.759 15.608 1.00 10.42 C ATOM 942 NE1 TRP A 65 14.366 -6.903 15.039 1.00 3.14 N ATOM 943 CE2 TRP A 65 15.022 -5.764 15.426 1.00 23.44 C ATOM 944 CE3 TRP A 65 14.470 -3.486 16.007 1.00 12.12 C ATOM 945 CZ2 TRP A 65 16.380 -5.535 15.632 1.00 41.13 C ATOM 946 CZ3 TRP A 65 15.818 -3.260 16.211 1.00 53.12 C ATOM 947 CH2 TRP A 65 16.760 -4.280 16.022 1.00 0.42 C ATOM 0 H TRP A 65 10.968 -6.486 17.598 1.00 71.13 H new ATOM 0 HA TRP A 65 11.131 -3.584 17.202 1.00 64.10 H new ATOM 0 HB2 TRP A 65 10.742 -5.197 14.734 1.00 21.42 H new ATOM 0 HB3 TRP A 65 11.543 -3.654 14.949 1.00 21.42 H new ATOM 0 HD1 TRP A 65 12.262 -7.358 14.692 1.00 2.11 H new ATOM 0 HE1 TRP A 65 14.806 -7.800 14.834 1.00 3.14 H new ATOM 0 HE3 TRP A 65 13.751 -2.693 16.153 1.00 12.12 H new ATOM 0 HZ2 TRP A 65 17.107 -6.320 15.489 1.00 41.13 H new ATOM 0 HZ3 TRP A 65 16.151 -2.281 16.521 1.00 53.12 H new ATOM 0 HH2 TRP A 65 17.807 -4.071 16.187 1.00 0.42 H new ATOM 958 N LYS A 66 8.675 -3.532 16.784 1.00 42.11 N ATOM 959 CA LYS A 66 7.218 -3.506 16.748 1.00 52.31 C ATOM 960 C LYS A 66 6.716 -2.909 15.437 1.00 65.34 C ATOM 961 O LYS A 66 7.496 -2.368 14.652 1.00 22.21 O ATOM 962 CB LYS A 66 6.672 -2.699 17.929 1.00 64.33 C ATOM 963 CG LYS A 66 6.331 -3.550 19.140 1.00 55.31 C ATOM 964 CD LYS A 66 4.874 -3.983 19.124 1.00 62.23 C ATOM 965 CE LYS A 66 4.413 -4.437 20.500 1.00 74.41 C ATOM 966 NZ LYS A 66 2.959 -4.762 20.518 1.00 3.44 N ATOM 0 H LYS A 66 9.111 -2.612 16.847 1.00 42.11 H new ATOM 0 HA LYS A 66 6.860 -4.533 16.820 1.00 52.31 H new ATOM 0 HB2 LYS A 66 7.409 -1.949 18.218 1.00 64.33 H new ATOM 0 HB3 LYS A 66 5.779 -2.162 17.610 1.00 64.33 H new ATOM 0 HG2 LYS A 66 6.973 -4.431 19.160 1.00 55.31 H new ATOM 0 HG3 LYS A 66 6.534 -2.987 20.051 1.00 55.31 H new ATOM 0 HD2 LYS A 66 4.251 -3.155 18.785 1.00 62.23 H new ATOM 0 HD3 LYS A 66 4.742 -4.795 18.409 1.00 62.23 H new ATOM 0 HE2 LYS A 66 4.985 -5.314 20.804 1.00 74.41 H new ATOM 0 HE3 LYS A 66 4.619 -3.653 21.229 1.00 74.41 H new ATOM 0 HZ1 LYS A 66 2.697 -5.132 21.454 1.00 3.44 H new ATOM 0 HZ2 LYS A 66 2.409 -3.902 20.319 1.00 3.44 H new ATOM 0 HZ3 LYS A 66 2.755 -5.479 19.793 1.00 3.44 H new ATOM 980 N ILE A 67 5.412 -3.011 15.206 1.00 12.23 N ATOM 981 CA ILE A 67 4.807 -2.479 13.991 1.00 4.23 C ATOM 982 C ILE A 67 3.798 -1.382 14.314 1.00 45.11 C ATOM 983 O ILE A 67 3.443 -1.173 15.473 1.00 35.43 O ATOM 984 CB ILE A 67 4.105 -3.585 13.181 1.00 2.52 C ATOM 985 CG1 ILE A 67 2.685 -3.807 13.705 1.00 52.22 C ATOM 986 CG2 ILE A 67 4.907 -4.876 13.243 1.00 75.31 C ATOM 987 CD1 ILE A 67 2.634 -4.205 15.163 1.00 11.23 C ATOM 0 H ILE A 67 4.753 -3.457 15.844 1.00 12.23 H new ATOM 0 HA ILE A 67 5.616 -2.060 13.393 1.00 4.23 H new ATOM 0 HB ILE A 67 4.042 -3.269 12.140 1.00 2.52 H new ATOM 0 HG12 ILE A 67 2.108 -2.893 13.566 1.00 52.22 H new ATOM 0 HG13 ILE A 67 2.203 -4.582 13.108 1.00 52.22 H new ATOM 0 HG21 ILE A 67 4.398 -5.648 12.666 1.00 75.31 H new ATOM 0 HG22 ILE A 67 5.900 -4.708 12.827 1.00 75.31 H new ATOM 0 HG23 ILE A 67 4.998 -5.199 14.280 1.00 75.31 H new ATOM 0 HD11 ILE A 67 1.596 -4.345 15.466 1.00 11.23 H new ATOM 0 HD12 ILE A 67 3.183 -5.136 15.305 1.00 11.23 H new ATOM 0 HD13 ILE A 67 3.086 -3.421 15.770 1.00 11.23 H new ATOM 999 N ALA A 68 3.340 -0.685 13.280 1.00 51.53 N ATOM 1000 CA ALA A 68 2.369 0.389 13.452 1.00 33.53 C ATOM 1001 C ALA A 68 1.540 0.587 12.188 1.00 51.52 C ATOM 1002 O ALA A 68 0.510 1.263 12.209 1.00 42.00 O ATOM 1003 CB ALA A 68 3.073 1.682 13.833 1.00 45.23 C ATOM 0 H ALA A 68 3.626 -0.845 12.314 1.00 51.53 H new ATOM 0 HA ALA A 68 1.692 0.107 14.258 1.00 33.53 H new ATOM 0 HB1 ALA A 68 2.335 2.475 13.958 1.00 45.23 H new ATOM 0 HB2 ALA A 68 3.615 1.540 14.768 1.00 45.23 H new ATOM 0 HB3 ALA A 68 3.774 1.960 13.046 1.00 45.23 H new TER 1009 ALA A 68