USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 8 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= -0.379 (180deg=-2.08!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 26 MET CE :methyl 170:sc= -4.03! (180deg=-4.54!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.991 K(o=-0.99,f=-3.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.27) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 1.955 -10.147 -2.774 1.00 0.00 N ATOM 67 CA ASN A 8 2.761 -9.642 -1.669 1.00 0.00 C ATOM 68 C ASN A 8 1.944 -8.707 -0.783 1.00 0.00 C ATOM 69 O ASN A 8 1.106 -7.946 -1.269 1.00 0.00 O ATOM 70 CB ASN A 8 3.993 -8.909 -2.203 1.00 0.00 C ATOM 71 CG ASN A 8 4.932 -9.831 -2.957 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.719 -10.125 -4.134 1.00 0.00 O ATOM 73 ND2 ASN A 8 5.978 -10.293 -2.281 1.00 0.00 N ATOM 0 HA ASN A 8 3.084 -10.493 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.675 -8.101 -2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.528 -8.450 -1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.644 -10.918 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.115 -10.023 -1.307 1.00 0.00 H new ATOM 80 N THR A 9 2.193 -8.768 0.522 1.00 0.00 N ATOM 81 CA THR A 9 1.481 -7.928 1.476 1.00 0.00 C ATOM 82 C THR A 9 2.392 -6.842 2.039 1.00 0.00 C ATOM 83 O THR A 9 3.543 -7.104 2.388 1.00 0.00 O ATOM 84 CB THR A 9 0.911 -8.759 2.641 1.00 0.00 C ATOM 85 OG1 THR A 9 1.930 -9.610 3.180 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.268 -9.602 2.178 1.00 0.00 C ATOM 0 H THR A 9 2.883 -9.391 0.942 1.00 0.00 H new ATOM 0 HA THR A 9 0.657 -7.463 0.934 1.00 0.00 H new ATOM 0 HB THR A 9 0.565 -8.072 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.560 -10.134 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.654 -10.180 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.053 -8.950 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.057 -10.280 1.389 1.00 0.00 H new ATOM 94 N TYR A 10 1.869 -5.625 2.126 1.00 0.00 N ATOM 95 CA TYR A 10 2.636 -4.499 2.646 1.00 0.00 C ATOM 96 C TYR A 10 1.869 -3.782 3.754 1.00 0.00 C ATOM 97 O TYR A 10 0.657 -3.586 3.660 1.00 0.00 O ATOM 98 CB TYR A 10 2.965 -3.516 1.521 1.00 0.00 C ATOM 99 CG TYR A 10 3.953 -4.059 0.513 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.632 -5.150 -0.286 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.206 -3.480 0.358 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.532 -5.649 -1.207 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.112 -3.972 -0.562 1.00 0.00 C ATOM 104 CZ TYR A 10 5.770 -5.057 -1.342 1.00 0.00 C ATOM 105 OH TYR A 10 6.669 -5.550 -2.260 1.00 0.00 O ATOM 0 H TYR A 10 0.917 -5.392 1.843 1.00 0.00 H new ATOM 0 HA TYR A 10 3.565 -4.887 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.044 -3.246 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.368 -2.601 1.955 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.663 -5.615 -0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.477 -2.630 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.267 -6.499 -1.819 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.082 -3.510 -0.670 1.00 0.00 H new ATOM 0 HH TYR A 10 7.492 -5.019 -2.229 1.00 0.00 H new ATOM 115 N VAL A 11 2.585 -3.393 4.804 1.00 0.00 N ATOM 116 CA VAL A 11 1.975 -2.697 5.930 1.00 0.00 C ATOM 117 C VAL A 11 2.292 -1.206 5.892 1.00 0.00 C ATOM 118 O VAL A 11 3.454 -0.811 5.798 1.00 0.00 O ATOM 119 CB VAL A 11 2.452 -3.278 7.274 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.962 -3.146 7.408 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.744 -2.591 8.432 1.00 0.00 C ATOM 0 H VAL A 11 3.589 -3.548 4.898 1.00 0.00 H new ATOM 0 HA VAL A 11 0.898 -2.839 5.843 1.00 0.00 H new ATOM 0 HB VAL A 11 2.201 -4.338 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.280 -3.562 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.448 -3.688 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.241 -2.093 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.093 -3.014 9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.963 -1.523 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.668 -2.743 8.342 1.00 0.00 H new ATOM 131 N ALA A 12 1.251 -0.383 5.965 1.00 0.00 N ATOM 132 CA ALA A 12 1.419 1.064 5.942 1.00 0.00 C ATOM 133 C ALA A 12 2.103 1.559 7.212 1.00 0.00 C ATOM 134 O ALA A 12 1.560 1.433 8.311 1.00 0.00 O ATOM 135 CB ALA A 12 0.072 1.749 5.765 1.00 0.00 C ATOM 0 H ALA A 12 0.283 -0.694 6.041 1.00 0.00 H new ATOM 0 HA ALA A 12 2.057 1.317 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.213 2.830 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.379 1.428 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.584 1.480 6.593 1.00 0.00 H new ATOM 141 N LEU A 13 3.296 2.121 7.055 1.00 0.00 N ATOM 142 CA LEU A 13 4.055 2.634 8.191 1.00 0.00 C ATOM 143 C LEU A 13 3.364 3.847 8.804 1.00 0.00 C ATOM 144 O LEU A 13 3.255 3.961 10.025 1.00 0.00 O ATOM 145 CB LEU A 13 5.473 3.007 7.755 1.00 0.00 C ATOM 146 CG LEU A 13 6.260 1.916 7.027 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.564 2.475 6.478 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.530 0.742 7.956 1.00 0.00 C ATOM 0 H LEU A 13 3.759 2.233 6.153 1.00 0.00 H new ATOM 0 HA LEU A 13 4.108 1.849 8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.414 3.880 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.037 3.305 8.639 1.00 0.00 H new ATOM 0 HG LEU A 13 5.660 1.560 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.111 1.685 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.348 3.282 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.169 2.859 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.091 -0.024 7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.109 1.083 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.583 0.325 8.300 1.00 0.00 H new ATOM 160 N TYR A 14 2.897 4.750 7.949 1.00 0.00 N ATOM 161 CA TYR A 14 2.215 5.955 8.407 1.00 0.00 C ATOM 162 C TYR A 14 0.923 6.180 7.628 1.00 0.00 C ATOM 163 O TYR A 14 0.681 5.539 6.605 1.00 0.00 O ATOM 164 CB TYR A 14 3.131 7.172 8.258 1.00 0.00 C ATOM 165 CG TYR A 14 4.591 6.864 8.502 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.120 6.881 9.787 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.442 6.555 7.448 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.453 6.601 10.014 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.777 6.272 7.666 1.00 0.00 C ATOM 170 CZ TYR A 14 7.278 6.297 8.951 1.00 0.00 C ATOM 171 OH TYR A 14 8.606 6.017 9.174 1.00 0.00 O ATOM 0 H TYR A 14 2.978 4.671 6.935 1.00 0.00 H new ATOM 0 HA TYR A 14 1.965 5.822 9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.017 7.581 7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.810 7.946 8.956 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.478 7.117 10.622 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.053 6.536 6.441 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.848 6.620 11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.424 6.033 6.835 1.00 0.00 H new ATOM 0 HH TYR A 14 9.047 5.822 8.321 1.00 0.00 H new ATOM 181 N LYS A 15 0.094 7.094 8.121 1.00 0.00 N ATOM 182 CA LYS A 15 -1.174 7.407 7.473 1.00 0.00 C ATOM 183 C LYS A 15 -0.955 8.285 6.244 1.00 0.00 C ATOM 184 O LYS A 15 -0.196 9.253 6.288 1.00 0.00 O ATOM 185 CB LYS A 15 -2.112 8.111 8.455 1.00 0.00 C ATOM 186 CG LYS A 15 -3.241 8.871 7.780 1.00 0.00 C ATOM 187 CD LYS A 15 -4.169 9.512 8.798 1.00 0.00 C ATOM 188 CE LYS A 15 -5.298 10.273 8.122 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.483 10.416 9.013 1.00 0.00 N ATOM 0 H LYS A 15 0.278 7.631 8.968 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.630 6.471 7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.538 7.370 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.532 8.804 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.825 9.641 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.810 8.191 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.586 8.742 9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.600 10.191 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.944 11.261 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.591 9.754 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.348 10.453 8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.532 9.602 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.398 11.293 9.566 1.00 0.00 H new ATOM 203 N PHE A 16 -1.626 7.941 5.150 1.00 0.00 N ATOM 204 CA PHE A 16 -1.506 8.698 3.910 1.00 0.00 C ATOM 205 C PHE A 16 -2.768 9.513 3.645 1.00 0.00 C ATOM 206 O PHE A 16 -3.883 9.047 3.882 1.00 0.00 O ATOM 207 CB PHE A 16 -1.239 7.754 2.735 1.00 0.00 C ATOM 208 CG PHE A 16 -0.824 8.464 1.478 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.775 8.937 0.588 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.517 8.660 1.187 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.395 9.590 -0.570 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.902 9.312 0.031 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.056 9.779 -0.848 1.00 0.00 C ATOM 0 H PHE A 16 -2.259 7.143 5.097 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.666 9.385 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.459 7.047 3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.139 7.173 2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.824 8.794 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.270 8.299 1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.146 9.952 -1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.950 9.456 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.242 10.291 -1.751 1.00 0.00 H new ATOM 223 N VAL A 17 -2.585 10.734 3.153 1.00 0.00 N ATOM 224 CA VAL A 17 -3.708 11.615 2.855 1.00 0.00 C ATOM 225 C VAL A 17 -3.835 11.856 1.355 1.00 0.00 C ATOM 226 O VAL A 17 -3.210 12.755 0.791 1.00 0.00 O ATOM 227 CB VAL A 17 -3.563 12.971 3.572 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.733 13.882 3.233 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.452 12.769 5.076 1.00 0.00 C ATOM 0 H VAL A 17 -1.669 11.136 2.952 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.607 11.116 3.217 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.648 13.450 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.613 14.835 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.761 14.053 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.664 13.412 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.350 13.737 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.348 12.269 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.578 12.156 5.297 1.00 0.00 H new ATOM 239 N PRO A 18 -4.662 11.036 0.692 1.00 0.00 N ATOM 240 CA PRO A 18 -4.892 11.141 -0.752 1.00 0.00 C ATOM 241 C PRO A 18 -5.677 12.394 -1.125 1.00 0.00 C ATOM 242 O PRO A 18 -6.883 12.473 -0.893 1.00 0.00 O ATOM 243 CB PRO A 18 -5.705 9.885 -1.075 1.00 0.00 C ATOM 244 CG PRO A 18 -6.384 9.535 0.204 1.00 0.00 C ATOM 245 CD PRO A 18 -5.439 9.943 1.300 1.00 0.00 C ATOM 0 HA PRO A 18 -3.958 11.215 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.428 10.074 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.062 9.074 -1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.336 10.057 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.600 8.468 0.252 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.975 10.277 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.798 9.116 1.606 1.00 0.00 H new ATOM 253 N GLN A 19 -4.985 13.370 -1.704 1.00 0.00 N ATOM 254 CA GLN A 19 -5.618 14.619 -2.108 1.00 0.00 C ATOM 255 C GLN A 19 -6.755 14.360 -3.091 1.00 0.00 C ATOM 256 O GLN A 19 -7.798 15.011 -3.034 1.00 0.00 O ATOM 257 CB GLN A 19 -4.588 15.558 -2.738 1.00 0.00 C ATOM 258 CG GLN A 19 -3.776 16.341 -1.720 1.00 0.00 C ATOM 259 CD GLN A 19 -3.085 17.547 -2.326 1.00 0.00 C ATOM 260 OE1 GLN A 19 -2.623 17.503 -3.467 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.012 18.632 -1.565 1.00 0.00 N ATOM 0 H GLN A 19 -3.986 13.319 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.032 15.091 -1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.909 14.974 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.102 16.258 -3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.432 16.670 -0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.028 15.684 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.409 18.623 -0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.559 19.474 -1.920 1.00 0.00 H new ATOM 270 N GLU A 20 -6.546 13.405 -3.992 1.00 0.00 N ATOM 271 CA GLU A 20 -7.554 13.061 -4.988 1.00 0.00 C ATOM 272 C GLU A 20 -7.785 11.553 -5.030 1.00 0.00 C ATOM 273 O GLU A 20 -6.939 10.772 -4.598 1.00 0.00 O ATOM 274 CB GLU A 20 -7.128 13.560 -6.370 1.00 0.00 C ATOM 275 CG GLU A 20 -7.210 15.070 -6.524 1.00 0.00 C ATOM 276 CD GLU A 20 -8.639 15.572 -6.589 1.00 0.00 C ATOM 277 OE1 GLU A 20 -9.223 15.840 -5.518 1.00 0.00 O ATOM 278 OE2 GLU A 20 -9.174 15.698 -7.710 1.00 0.00 O ATOM 0 H GLU A 20 -5.688 12.856 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.488 13.547 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.105 13.239 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.758 13.091 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.699 15.545 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.682 15.368 -7.430 1.00 0.00 H new ATOM 285 N ASN A 21 -8.940 11.152 -5.552 1.00 0.00 N ATOM 286 CA ASN A 21 -9.284 9.738 -5.649 1.00 0.00 C ATOM 287 C ASN A 21 -8.081 8.914 -6.097 1.00 0.00 C ATOM 288 O ASN A 21 -7.766 7.884 -5.501 1.00 0.00 O ATOM 289 CB ASN A 21 -10.444 9.541 -6.628 1.00 0.00 C ATOM 290 CG ASN A 21 -10.868 8.089 -6.737 1.00 0.00 C ATOM 291 OD1 ASN A 21 -10.355 7.342 -7.570 1.00 0.00 O ATOM 292 ND2 ASN A 21 -11.809 7.682 -5.892 1.00 0.00 N ATOM 0 H ASN A 21 -9.653 11.786 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.588 9.395 -4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.294 10.142 -6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.151 9.906 -7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.134 6.715 -5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.206 8.336 -5.218 1.00 0.00 H new ATOM 299 N GLU A 22 -7.412 9.376 -7.149 1.00 0.00 N ATOM 300 CA GLU A 22 -6.243 8.681 -7.675 1.00 0.00 C ATOM 301 C GLU A 22 -5.398 8.104 -6.544 1.00 0.00 C ATOM 302 O GLU A 22 -5.015 6.935 -6.575 1.00 0.00 O ATOM 303 CB GLU A 22 -5.397 9.632 -8.525 1.00 0.00 C ATOM 304 CG GLU A 22 -6.074 10.060 -9.816 1.00 0.00 C ATOM 305 CD GLU A 22 -7.090 11.165 -9.604 1.00 0.00 C ATOM 306 OE1 GLU A 22 -6.791 12.108 -8.843 1.00 0.00 O ATOM 307 OE2 GLU A 22 -8.185 11.086 -10.200 1.00 0.00 O ATOM 0 H GLU A 22 -7.659 10.228 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.592 7.859 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.161 10.519 -7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.450 9.147 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.317 10.398 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.568 9.199 -10.265 1.00 0.00 H new ATOM 314 N ASP A 23 -5.111 8.933 -5.546 1.00 0.00 N ATOM 315 CA ASP A 23 -4.311 8.506 -4.403 1.00 0.00 C ATOM 316 C ASP A 23 -5.065 7.478 -3.566 1.00 0.00 C ATOM 317 O ASP A 23 -6.280 7.324 -3.699 1.00 0.00 O ATOM 318 CB ASP A 23 -3.935 9.710 -3.539 1.00 0.00 C ATOM 319 CG ASP A 23 -2.961 10.641 -4.234 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.224 11.015 -5.396 1.00 0.00 O ATOM 321 OD2 ASP A 23 -1.936 10.996 -3.615 1.00 0.00 O ATOM 0 H ASP A 23 -5.420 9.904 -5.505 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.400 8.042 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.838 10.262 -3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.495 9.360 -2.605 1.00 0.00 H new ATOM 326 N LEU A 24 -4.338 6.776 -2.704 1.00 0.00 N ATOM 327 CA LEU A 24 -4.938 5.761 -1.845 1.00 0.00 C ATOM 328 C LEU A 24 -4.714 6.093 -0.373 1.00 0.00 C ATOM 329 O LEU A 24 -3.598 6.405 0.040 1.00 0.00 O ATOM 330 CB LEU A 24 -4.353 4.384 -2.164 1.00 0.00 C ATOM 331 CG LEU A 24 -4.409 3.354 -1.036 1.00 0.00 C ATOM 332 CD1 LEU A 24 -5.851 3.076 -0.638 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.712 2.067 -1.453 1.00 0.00 C ATOM 0 H LEU A 24 -3.332 6.891 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.011 5.746 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.881 3.978 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.312 4.513 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.887 3.763 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.871 2.340 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.319 4.000 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.398 2.689 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.762 1.346 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.206 1.655 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.669 2.278 -1.688 1.00 0.00 H new ATOM 345 N GLU A 25 -5.784 6.020 0.414 1.00 0.00 N ATOM 346 CA GLU A 25 -5.703 6.312 1.840 1.00 0.00 C ATOM 347 C GLU A 25 -5.286 5.072 2.626 1.00 0.00 C ATOM 348 O GLU A 25 -5.803 3.978 2.401 1.00 0.00 O ATOM 349 CB GLU A 25 -7.049 6.826 2.355 1.00 0.00 C ATOM 350 CG GLU A 25 -6.925 7.792 3.521 1.00 0.00 C ATOM 351 CD GLU A 25 -8.224 8.516 3.820 1.00 0.00 C ATOM 352 OE1 GLU A 25 -9.143 7.881 4.377 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.320 9.718 3.495 1.00 0.00 O ATOM 0 H GLU A 25 -6.715 5.762 0.088 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.948 7.084 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.576 7.320 1.539 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.660 5.977 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.606 7.245 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.148 8.524 3.300 1.00 0.00 H new ATOM 360 N MET A 26 -4.346 5.252 3.549 1.00 0.00 N ATOM 361 CA MET A 26 -3.860 4.148 4.369 1.00 0.00 C ATOM 362 C MET A 26 -3.592 4.610 5.798 1.00 0.00 C ATOM 363 O MET A 26 -3.396 5.799 6.049 1.00 0.00 O ATOM 364 CB MET A 26 -2.584 3.559 3.763 1.00 0.00 C ATOM 365 CG MET A 26 -1.724 4.584 3.042 1.00 0.00 C ATOM 366 SD MET A 26 -0.347 3.833 2.153 1.00 0.00 S ATOM 367 CE MET A 26 0.884 5.128 2.277 1.00 0.00 C ATOM 0 H MET A 26 -3.906 6.151 3.747 1.00 0.00 H new ATOM 0 HA MET A 26 -4.631 3.378 4.393 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.996 3.096 4.555 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.855 2.768 3.064 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.343 5.143 2.340 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.336 5.301 3.766 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.846 4.749 1.933 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.585 5.975 1.659 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.971 5.449 3.315 1.00 0.00 H new ATOM 377 N ARG A 27 -3.584 3.662 6.729 1.00 0.00 N ATOM 378 CA ARG A 27 -3.342 3.972 8.133 1.00 0.00 C ATOM 379 C ARG A 27 -2.188 3.138 8.683 1.00 0.00 C ATOM 380 O ARG A 27 -1.878 2.057 8.182 1.00 0.00 O ATOM 381 CB ARG A 27 -4.605 3.721 8.958 1.00 0.00 C ATOM 382 CG ARG A 27 -5.716 4.725 8.692 1.00 0.00 C ATOM 383 CD ARG A 27 -5.368 6.099 9.241 1.00 0.00 C ATOM 384 NE ARG A 27 -6.340 7.112 8.840 1.00 0.00 N ATOM 385 CZ ARG A 27 -7.588 7.153 9.294 1.00 0.00 C ATOM 386 NH1 ARG A 27 -8.012 6.243 10.160 1.00 0.00 N ATOM 387 NH2 ARG A 27 -8.415 8.106 8.881 1.00 0.00 N ATOM 0 H ARG A 27 -3.742 2.673 6.537 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.073 5.026 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.975 2.718 8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.348 3.748 10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.895 4.795 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.642 4.374 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.321 6.053 10.329 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.377 6.389 8.891 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.045 7.827 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.380 5.509 10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.971 6.277 10.507 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.092 8.808 8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.373 8.137 9.230 1.00 0.00 H new ATOM 401 N PRO A 28 -1.537 3.651 9.737 1.00 0.00 N ATOM 402 CA PRO A 28 -0.408 2.970 10.378 1.00 0.00 C ATOM 403 C PRO A 28 -0.839 1.715 11.130 1.00 0.00 C ATOM 404 O PRO A 28 -1.232 1.781 12.294 1.00 0.00 O ATOM 405 CB PRO A 28 0.132 4.019 11.353 1.00 0.00 C ATOM 406 CG PRO A 28 -1.034 4.899 11.646 1.00 0.00 C ATOM 407 CD PRO A 28 -1.853 4.934 10.386 1.00 0.00 C ATOM 0 HA PRO A 28 0.327 2.626 9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.516 3.555 12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.953 4.584 10.912 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.617 4.509 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.707 5.900 11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.918 5.024 10.601 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.583 5.781 9.755 1.00 0.00 H new ATOM 415 N GLY A 29 -0.762 0.571 10.456 1.00 0.00 N ATOM 416 CA GLY A 29 -1.147 -0.683 11.077 1.00 0.00 C ATOM 417 C GLY A 29 -2.202 -1.425 10.281 1.00 0.00 C ATOM 418 O GLY A 29 -2.891 -2.296 10.810 1.00 0.00 O ATOM 0 H GLY A 29 -0.440 0.491 9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.266 -1.316 11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.525 -0.487 12.080 1.00 0.00 H new ATOM 422 N ASP A 30 -2.330 -1.078 9.005 1.00 0.00 N ATOM 423 CA ASP A 30 -3.309 -1.717 8.133 1.00 0.00 C ATOM 424 C ASP A 30 -2.626 -2.664 7.152 1.00 0.00 C ATOM 425 O ASP A 30 -1.402 -2.658 7.017 1.00 0.00 O ATOM 426 CB ASP A 30 -4.108 -0.660 7.368 1.00 0.00 C ATOM 427 CG ASP A 30 -5.355 -0.227 8.114 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.749 -0.927 9.070 1.00 0.00 O ATOM 429 OD2 ASP A 30 -5.937 0.813 7.741 1.00 0.00 O ATOM 0 H ASP A 30 -1.768 -0.358 8.551 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.990 -2.297 8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.476 0.209 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.390 -1.057 6.393 1.00 0.00 H new ATOM 434 N ILE A 31 -3.425 -3.479 6.471 1.00 0.00 N ATOM 435 CA ILE A 31 -2.898 -4.432 5.502 1.00 0.00 C ATOM 436 C ILE A 31 -3.233 -4.009 4.076 1.00 0.00 C ATOM 437 O ILE A 31 -4.400 -3.811 3.735 1.00 0.00 O ATOM 438 CB ILE A 31 -3.449 -5.849 5.749 1.00 0.00 C ATOM 439 CG1 ILE A 31 -3.045 -6.341 7.140 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.950 -6.806 4.677 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.556 -6.552 7.298 1.00 0.00 C ATOM 0 H ILE A 31 -4.440 -3.498 6.573 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.816 -4.445 5.629 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.537 -5.814 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.382 -5.619 7.884 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.561 -7.278 7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.348 -7.803 4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.283 -6.461 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.861 -6.840 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.343 -6.901 8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.216 -7.296 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.034 -5.611 7.121 1.00 0.00 H new ATOM 453 N ILE A 32 -2.204 -3.876 3.247 1.00 0.00 N ATOM 454 CA ILE A 32 -2.390 -3.480 1.856 1.00 0.00 C ATOM 455 C ILE A 32 -1.927 -4.579 0.905 1.00 0.00 C ATOM 456 O ILE A 32 -0.923 -5.248 1.152 1.00 0.00 O ATOM 457 CB ILE A 32 -1.626 -2.182 1.533 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.114 -1.041 2.429 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.794 -1.820 0.065 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.065 0.019 2.681 1.00 0.00 C ATOM 0 H ILE A 32 -1.233 -4.036 3.514 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.457 -3.308 1.717 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.566 -2.343 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.986 -0.576 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.439 -1.453 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.248 -0.901 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.403 -2.626 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.851 -1.674 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.480 0.796 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.201 -0.433 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.757 0.459 1.732 1.00 0.00 H new ATOM 472 N THR A 33 -2.666 -4.759 -0.185 1.00 0.00 N ATOM 473 CA THR A 33 -2.332 -5.776 -1.175 1.00 0.00 C ATOM 474 C THR A 33 -1.623 -5.162 -2.376 1.00 0.00 C ATOM 475 O THR A 33 -2.227 -4.425 -3.157 1.00 0.00 O ATOM 476 CB THR A 33 -3.589 -6.521 -1.660 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.279 -7.097 -0.545 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.221 -7.613 -2.654 1.00 0.00 C ATOM 0 H THR A 33 -3.500 -4.214 -0.405 1.00 0.00 H new ATOM 0 HA THR A 33 -1.664 -6.486 -0.687 1.00 0.00 H new ATOM 0 HB THR A 33 -4.240 -5.803 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.078 -7.567 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.125 -8.126 -2.983 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.723 -7.168 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.551 -8.329 -2.177 1.00 0.00 H new ATOM 486 N LEU A 34 -0.339 -5.470 -2.521 1.00 0.00 N ATOM 487 CA LEU A 34 0.453 -4.949 -3.630 1.00 0.00 C ATOM 488 C LEU A 34 -0.091 -5.442 -4.966 1.00 0.00 C ATOM 489 O LEU A 34 0.141 -6.586 -5.360 1.00 0.00 O ATOM 490 CB LEU A 34 1.917 -5.366 -3.477 1.00 0.00 C ATOM 491 CG LEU A 34 2.922 -4.621 -4.356 1.00 0.00 C ATOM 492 CD1 LEU A 34 3.205 -3.238 -3.790 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.211 -5.420 -4.487 1.00 0.00 C ATOM 0 H LEU A 34 0.176 -6.078 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 34 0.388 -3.861 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.206 -5.230 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.995 -6.431 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 34 2.489 -4.502 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.922 -2.723 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.279 -2.665 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.617 -3.333 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.915 -4.875 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.648 -5.570 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.995 -6.388 -4.939 1.00 0.00 H new ATOM 505 N LEU A 35 -0.815 -4.571 -5.662 1.00 0.00 N ATOM 506 CA LEU A 35 -1.390 -4.917 -6.957 1.00 0.00 C ATOM 507 C LEU A 35 -0.362 -4.753 -8.071 1.00 0.00 C ATOM 508 O LEU A 35 -0.119 -5.678 -8.845 1.00 0.00 O ATOM 509 CB LEU A 35 -2.613 -4.043 -7.243 1.00 0.00 C ATOM 510 CG LEU A 35 -3.713 -4.060 -6.181 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.654 -2.880 -6.369 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.483 -5.372 -6.230 1.00 0.00 C ATOM 0 H LEU A 35 -1.017 -3.621 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.697 -5.962 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.277 -3.014 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.047 -4.359 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.246 -3.973 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.430 -2.908 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.093 -1.950 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.114 -2.935 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.262 -5.366 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.939 -5.490 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.801 -6.202 -6.045 1.00 0.00 H new ATOM 524 N GLU A 36 0.239 -3.569 -8.145 1.00 0.00 N ATOM 525 CA GLU A 36 1.243 -3.286 -9.164 1.00 0.00 C ATOM 526 C GLU A 36 2.541 -2.798 -8.529 1.00 0.00 C ATOM 527 O GLU A 36 2.526 -1.970 -7.617 1.00 0.00 O ATOM 528 CB GLU A 36 0.719 -2.238 -10.149 1.00 0.00 C ATOM 529 CG GLU A 36 1.411 -2.274 -11.501 1.00 0.00 C ATOM 530 CD GLU A 36 0.770 -3.261 -12.458 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.476 -3.340 -12.483 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.516 -3.953 -13.183 1.00 0.00 O ATOM 0 H GLU A 36 0.048 -2.792 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 36 1.448 -4.211 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.351 -2.390 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.844 -1.247 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.389 -1.278 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.459 -2.537 -11.362 1.00 0.00 H new ATOM 539 N ASP A 37 3.663 -3.317 -9.015 1.00 0.00 N ATOM 540 CA ASP A 37 4.971 -2.935 -8.496 1.00 0.00 C ATOM 541 C ASP A 37 5.929 -2.595 -9.633 1.00 0.00 C ATOM 542 O ASP A 37 7.145 -2.726 -9.494 1.00 0.00 O ATOM 543 CB ASP A 37 5.553 -4.062 -7.642 1.00 0.00 C ATOM 544 CG ASP A 37 5.726 -5.350 -8.423 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.894 -5.277 -9.658 1.00 0.00 O ATOM 546 OD2 ASP A 37 5.693 -6.432 -7.799 1.00 0.00 O ATOM 0 H ASP A 37 3.693 -4.004 -9.768 1.00 0.00 H new ATOM 0 HA ASP A 37 4.843 -2.048 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.518 -3.750 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.899 -4.243 -6.789 1.00 0.00 H new ATOM 551 N SER A 38 5.372 -2.158 -10.759 1.00 0.00 N ATOM 552 CA SER A 38 6.177 -1.804 -11.922 1.00 0.00 C ATOM 553 C SER A 38 7.089 -0.621 -11.612 1.00 0.00 C ATOM 554 O SER A 38 8.310 -0.719 -11.722 1.00 0.00 O ATOM 555 CB SER A 38 5.274 -1.468 -13.110 1.00 0.00 C ATOM 556 OG SER A 38 4.790 -2.647 -13.732 1.00 0.00 O ATOM 0 H SER A 38 4.367 -2.041 -10.890 1.00 0.00 H new ATOM 0 HA SER A 38 6.798 -2.662 -12.178 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.435 -0.860 -12.772 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.828 -0.872 -13.835 1.00 0.00 H new ATOM 0 HG SER A 38 4.214 -2.406 -14.487 1.00 0.00 H new ATOM 562 N ASN A 39 6.485 0.498 -11.223 1.00 0.00 N ATOM 563 CA ASN A 39 7.242 1.701 -10.898 1.00 0.00 C ATOM 564 C ASN A 39 8.289 1.412 -9.827 1.00 0.00 C ATOM 565 O ASN A 39 8.474 0.266 -9.420 1.00 0.00 O ATOM 566 CB ASN A 39 6.299 2.807 -10.419 1.00 0.00 C ATOM 567 CG ASN A 39 6.820 4.193 -10.747 1.00 0.00 C ATOM 568 OD1 ASN A 39 7.733 4.349 -11.558 1.00 0.00 O ATOM 569 ND2 ASN A 39 6.239 5.208 -10.117 1.00 0.00 N ATOM 0 H ASN A 39 5.474 0.596 -11.125 1.00 0.00 H new ATOM 0 HA ASN A 39 7.754 2.034 -11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.320 2.671 -10.880 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.159 2.720 -9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.546 6.164 -10.298 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.485 5.032 -9.453 1.00 0.00 H new ATOM 576 N GLU A 40 8.972 2.460 -9.376 1.00 0.00 N ATOM 577 CA GLU A 40 10.001 2.317 -8.353 1.00 0.00 C ATOM 578 C GLU A 40 9.733 3.253 -7.178 1.00 0.00 C ATOM 579 O GLU A 40 9.890 2.870 -6.018 1.00 0.00 O ATOM 580 CB GLU A 40 11.383 2.606 -8.944 1.00 0.00 C ATOM 581 CG GLU A 40 11.843 1.566 -9.951 1.00 0.00 C ATOM 582 CD GLU A 40 13.188 1.904 -10.565 1.00 0.00 C ATOM 583 OE1 GLU A 40 13.266 2.902 -11.311 1.00 0.00 O ATOM 584 OE2 GLU A 40 14.163 1.170 -10.299 1.00 0.00 O ATOM 0 H GLU A 40 8.831 3.416 -9.703 1.00 0.00 H new ATOM 0 HA GLU A 40 9.976 1.289 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.366 3.584 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.111 2.663 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.905 0.594 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.098 1.477 -10.742 1.00 0.00 H new ATOM 591 N ASP A 41 9.329 4.480 -7.486 1.00 0.00 N ATOM 592 CA ASP A 41 9.038 5.471 -6.457 1.00 0.00 C ATOM 593 C ASP A 41 7.779 5.096 -5.681 1.00 0.00 C ATOM 594 O ASP A 41 7.844 4.766 -4.497 1.00 0.00 O ATOM 595 CB ASP A 41 8.871 6.856 -7.084 1.00 0.00 C ATOM 596 CG ASP A 41 10.158 7.371 -7.699 1.00 0.00 C ATOM 597 OD1 ASP A 41 10.993 6.540 -8.111 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.330 8.607 -7.768 1.00 0.00 O ATOM 0 H ASP A 41 9.195 4.813 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 41 9.878 5.494 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.097 6.814 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.529 7.557 -6.323 1.00 0.00 H new ATOM 603 N TRP A 42 6.637 5.149 -6.356 1.00 0.00 N ATOM 604 CA TRP A 42 5.363 4.816 -5.729 1.00 0.00 C ATOM 605 C TRP A 42 4.798 3.519 -6.300 1.00 0.00 C ATOM 606 O TRP A 42 5.088 3.154 -7.439 1.00 0.00 O ATOM 607 CB TRP A 42 4.360 5.954 -5.927 1.00 0.00 C ATOM 608 CG TRP A 42 4.702 7.188 -5.149 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.949 7.699 -4.928 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.783 8.065 -4.486 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.861 8.841 -4.168 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.543 9.087 -3.885 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.393 8.087 -4.345 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.958 10.117 -3.154 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.814 9.110 -3.618 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.595 10.114 -3.031 1.00 0.00 C ATOM 0 H TRP A 42 6.567 5.419 -7.337 1.00 0.00 H new ATOM 0 HA TRP A 42 5.537 4.677 -4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.309 6.204 -6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.368 5.610 -5.632 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.869 7.269 -5.296 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.649 9.413 -3.864 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.782 7.319 -4.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.559 10.891 -2.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.741 9.136 -3.500 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.112 10.901 -2.471 1.00 0.00 H new ATOM 627 N TRP A 43 3.992 2.829 -5.502 1.00 0.00 N ATOM 628 CA TRP A 43 3.387 1.572 -5.930 1.00 0.00 C ATOM 629 C TRP A 43 1.867 1.635 -5.820 1.00 0.00 C ATOM 630 O TRP A 43 1.310 2.620 -5.335 1.00 0.00 O ATOM 631 CB TRP A 43 3.924 0.412 -5.090 1.00 0.00 C ATOM 632 CG TRP A 43 5.369 0.110 -5.351 1.00 0.00 C ATOM 633 CD1 TRP A 43 6.040 0.271 -6.529 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.319 -0.409 -4.413 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.351 -0.115 -6.380 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.547 -0.536 -5.091 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.252 -0.776 -3.067 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.695 -1.015 -4.467 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.392 -1.252 -2.449 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.601 -1.368 -3.148 1.00 0.00 C ATOM 0 H TRP A 43 3.742 3.118 -4.556 1.00 0.00 H new ATOM 0 HA TRP A 43 3.651 1.407 -6.975 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.794 0.647 -4.034 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.331 -0.480 -5.293 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.605 0.646 -7.443 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.062 -0.092 -7.111 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.325 -0.689 -2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.627 -1.105 -5.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.351 -1.540 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.475 -1.743 -2.636 1.00 0.00 H new ATOM 651 N LYS A 44 1.202 0.577 -6.272 1.00 0.00 N ATOM 652 CA LYS A 44 -0.254 0.511 -6.222 1.00 0.00 C ATOM 653 C LYS A 44 -0.716 -0.682 -5.392 1.00 0.00 C ATOM 654 O LYS A 44 -0.252 -1.804 -5.587 1.00 0.00 O ATOM 655 CB LYS A 44 -0.829 0.414 -7.638 1.00 0.00 C ATOM 656 CG LYS A 44 -2.342 0.287 -7.672 1.00 0.00 C ATOM 657 CD LYS A 44 -2.852 0.083 -9.089 1.00 0.00 C ATOM 658 CE LYS A 44 -4.350 0.329 -9.183 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.803 0.463 -10.595 1.00 0.00 N ATOM 0 H LYS A 44 1.648 -0.246 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.619 1.423 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.534 1.299 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.389 -0.447 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.652 -0.552 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.793 1.184 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.328 0.758 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.628 -0.933 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.884 -0.494 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.604 1.235 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.829 0.630 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.313 1.264 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.584 -0.411 -11.114 1.00 0.00 H new ATOM 673 N GLY A 45 -1.636 -0.431 -4.464 1.00 0.00 N ATOM 674 CA GLY A 45 -2.146 -1.495 -3.619 1.00 0.00 C ATOM 675 C GLY A 45 -3.651 -1.430 -3.451 1.00 0.00 C ATOM 676 O GLY A 45 -4.313 -0.571 -4.035 1.00 0.00 O ATOM 0 H GLY A 45 -2.036 0.489 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.873 -2.459 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.671 -1.436 -2.640 1.00 0.00 H new ATOM 680 N LYS A 46 -4.196 -2.340 -2.651 1.00 0.00 N ATOM 681 CA LYS A 46 -5.632 -2.384 -2.407 1.00 0.00 C ATOM 682 C LYS A 46 -5.928 -2.484 -0.914 1.00 0.00 C ATOM 683 O LYS A 46 -5.124 -3.015 -0.147 1.00 0.00 O ATOM 684 CB LYS A 46 -6.259 -3.571 -3.142 1.00 0.00 C ATOM 685 CG LYS A 46 -7.777 -3.581 -3.098 1.00 0.00 C ATOM 686 CD LYS A 46 -8.331 -4.987 -3.253 1.00 0.00 C ATOM 687 CE LYS A 46 -9.713 -4.975 -3.889 1.00 0.00 C ATOM 688 NZ LYS A 46 -10.320 -6.335 -3.921 1.00 0.00 N ATOM 0 H LYS A 46 -3.663 -3.058 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.067 -1.459 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.934 -3.556 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.885 -4.497 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.117 -3.157 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.169 -2.945 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.653 -5.581 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.383 -5.468 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.363 -4.300 -3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.642 -4.585 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.261 -6.285 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.713 -6.973 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.411 -6.697 -2.950 1.00 0.00 H new ATOM 702 N ILE A 47 -7.085 -1.970 -0.509 1.00 0.00 N ATOM 703 CA ILE A 47 -7.486 -2.004 0.892 1.00 0.00 C ATOM 704 C ILE A 47 -8.979 -2.280 1.029 1.00 0.00 C ATOM 705 O ILE A 47 -9.733 -2.160 0.064 1.00 0.00 O ATOM 706 CB ILE A 47 -7.152 -0.681 1.605 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.699 -0.284 1.337 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.405 -0.807 3.100 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.272 0.973 2.062 1.00 0.00 C ATOM 0 H ILE A 47 -7.760 -1.526 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.925 -2.812 1.362 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.801 0.101 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.046 -1.105 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.562 -0.140 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.164 0.136 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.454 -1.048 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.778 -1.599 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.231 1.194 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.900 1.806 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.376 0.826 3.137 1.00 0.00 H new ATOM 721 N GLN A 48 -9.399 -2.648 2.235 1.00 0.00 N ATOM 722 CA GLN A 48 -10.803 -2.940 2.499 1.00 0.00 C ATOM 723 C GLN A 48 -11.709 -2.147 1.562 1.00 0.00 C ATOM 724 O GLN A 48 -12.361 -2.715 0.686 1.00 0.00 O ATOM 725 CB GLN A 48 -11.148 -2.619 3.954 1.00 0.00 C ATOM 726 CG GLN A 48 -10.558 -3.604 4.951 1.00 0.00 C ATOM 727 CD GLN A 48 -11.305 -3.616 6.270 1.00 0.00 C ATOM 728 OE1 GLN A 48 -10.999 -2.843 7.178 1.00 0.00 O ATOM 729 NE2 GLN A 48 -12.292 -4.498 6.384 1.00 0.00 N ATOM 0 H GLN A 48 -8.787 -2.751 3.045 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.967 -4.003 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.790 -1.617 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.232 -2.606 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.573 -4.605 4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.513 -3.351 5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.512 -5.120 5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.829 -4.553 7.249 1.00 0.00 H new ATOM 738 N ASP A 49 -11.745 -0.833 1.754 1.00 0.00 N ATOM 739 CA ASP A 49 -12.570 0.038 0.926 1.00 0.00 C ATOM 740 C ASP A 49 -11.759 1.220 0.404 1.00 0.00 C ATOM 741 O ASP A 49 -12.319 2.236 -0.009 1.00 0.00 O ATOM 742 CB ASP A 49 -13.776 0.542 1.721 1.00 0.00 C ATOM 743 CG ASP A 49 -13.369 1.320 2.957 1.00 0.00 C ATOM 744 OD1 ASP A 49 -12.957 2.490 2.812 1.00 0.00 O ATOM 745 OD2 ASP A 49 -13.463 0.759 4.070 1.00 0.00 O ATOM 0 H ASP A 49 -11.212 -0.348 2.476 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.924 -0.542 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.390 1.176 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.394 -0.306 2.016 1.00 0.00 H new ATOM 750 N ARG A 50 -10.438 1.081 0.428 1.00 0.00 N ATOM 751 CA ARG A 50 -9.550 2.139 -0.040 1.00 0.00 C ATOM 752 C ARG A 50 -8.604 1.617 -1.117 1.00 0.00 C ATOM 753 O ARG A 50 -7.831 0.687 -0.881 1.00 0.00 O ATOM 754 CB ARG A 50 -8.744 2.711 1.128 1.00 0.00 C ATOM 755 CG ARG A 50 -9.530 3.686 1.990 1.00 0.00 C ATOM 756 CD ARG A 50 -9.048 3.667 3.432 1.00 0.00 C ATOM 757 NE ARG A 50 -9.658 2.585 4.199 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.776 2.598 5.522 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.328 3.632 6.221 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.343 1.575 6.149 1.00 0.00 N ATOM 0 H ARG A 50 -9.959 0.247 0.766 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.163 2.930 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.392 1.890 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.861 3.216 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.431 4.693 1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.589 3.432 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.964 3.558 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.280 4.622 3.904 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.013 1.775 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.891 4.420 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.420 3.639 7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.689 0.778 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.433 1.586 7.165 1.00 0.00 H new ATOM 774 N ILE A 51 -8.671 2.220 -2.299 1.00 0.00 N ATOM 775 CA ILE A 51 -7.820 1.817 -3.412 1.00 0.00 C ATOM 776 C ILE A 51 -7.251 3.031 -4.138 1.00 0.00 C ATOM 777 O ILE A 51 -7.907 4.067 -4.245 1.00 0.00 O ATOM 778 CB ILE A 51 -8.589 0.943 -4.421 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.057 -0.352 -3.754 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.717 0.638 -5.629 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.359 -0.206 -2.998 1.00 0.00 C ATOM 0 H ILE A 51 -9.306 2.990 -2.511 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.002 1.235 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.467 1.492 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.173 -1.122 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.284 -0.697 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.274 0.020 -6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.429 1.570 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.823 0.105 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.630 -1.163 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.242 0.541 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.145 0.109 -3.684 1.00 0.00 H new ATOM 793 N GLY A 52 -6.026 2.896 -4.637 1.00 0.00 N ATOM 794 CA GLY A 52 -5.390 3.989 -5.348 1.00 0.00 C ATOM 795 C GLY A 52 -3.881 3.850 -5.395 1.00 0.00 C ATOM 796 O GLY A 52 -3.355 2.740 -5.482 1.00 0.00 O ATOM 0 H GLY A 52 -5.463 2.049 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.780 4.032 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.650 4.932 -4.867 1.00 0.00 H new ATOM 800 N PHE A 53 -3.183 4.979 -5.340 1.00 0.00 N ATOM 801 CA PHE A 53 -1.725 4.979 -5.380 1.00 0.00 C ATOM 802 C PHE A 53 -1.145 5.468 -4.056 1.00 0.00 C ATOM 803 O PHE A 53 -1.830 6.120 -3.268 1.00 0.00 O ATOM 804 CB PHE A 53 -1.225 5.860 -6.526 1.00 0.00 C ATOM 805 CG PHE A 53 -1.877 5.556 -7.845 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.555 4.403 -8.542 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.812 6.423 -8.386 1.00 0.00 C ATOM 808 CE1 PHE A 53 -2.153 4.122 -9.756 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.414 6.147 -9.599 1.00 0.00 C ATOM 810 CZ PHE A 53 -3.085 4.994 -10.284 1.00 0.00 C ATOM 0 H PHE A 53 -3.603 5.906 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.391 3.955 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.403 6.905 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.147 5.735 -6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.829 3.716 -8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.074 7.325 -7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.892 3.221 -10.291 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.141 6.832 -10.011 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.556 4.774 -11.231 1.00 0.00 H new ATOM 820 N PHE A 54 0.123 5.149 -3.819 1.00 0.00 N ATOM 821 CA PHE A 54 0.797 5.555 -2.591 1.00 0.00 C ATOM 822 C PHE A 54 2.304 5.349 -2.703 1.00 0.00 C ATOM 823 O PHE A 54 2.786 4.503 -3.457 1.00 0.00 O ATOM 824 CB PHE A 54 0.250 4.764 -1.400 1.00 0.00 C ATOM 825 CG PHE A 54 0.386 3.277 -1.555 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.586 2.644 -1.273 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.687 2.511 -1.981 1.00 0.00 C ATOM 828 CE1 PHE A 54 1.714 1.275 -1.416 1.00 0.00 C ATOM 829 CE2 PHE A 54 -0.566 1.141 -2.125 1.00 0.00 C ATOM 830 CZ PHE A 54 0.636 0.523 -1.841 1.00 0.00 C ATOM 0 H PHE A 54 0.705 4.611 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 54 0.605 6.616 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.773 5.076 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.802 5.012 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.431 3.227 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.629 2.990 -2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.656 0.794 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.410 0.555 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.733 -0.547 -1.951 1.00 0.00 H new ATOM 840 N PRO A 55 3.068 6.141 -1.937 1.00 0.00 N ATOM 841 CA PRO A 55 4.532 6.066 -1.932 1.00 0.00 C ATOM 842 C PRO A 55 5.044 4.783 -1.287 1.00 0.00 C ATOM 843 O PRO A 55 4.420 4.243 -0.374 1.00 0.00 O ATOM 844 CB PRO A 55 4.948 7.284 -1.103 1.00 0.00 C ATOM 845 CG PRO A 55 3.779 7.558 -0.221 1.00 0.00 C ATOM 846 CD PRO A 55 2.562 7.172 -1.015 1.00 0.00 C ATOM 0 HA PRO A 55 4.943 6.061 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.845 7.078 -0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.172 8.139 -1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.842 6.981 0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.742 8.610 0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.771 6.784 -0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.147 8.024 -1.554 1.00 0.00 H new ATOM 854 N ALA A 56 6.185 4.299 -1.767 1.00 0.00 N ATOM 855 CA ALA A 56 6.782 3.080 -1.235 1.00 0.00 C ATOM 856 C ALA A 56 7.446 3.338 0.113 1.00 0.00 C ATOM 857 O ALA A 56 7.465 2.467 0.982 1.00 0.00 O ATOM 858 CB ALA A 56 7.791 2.512 -2.223 1.00 0.00 C ATOM 0 H ALA A 56 6.714 4.733 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 56 5.987 2.350 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.229 1.602 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.290 2.282 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.578 3.245 -2.401 1.00 0.00 H new ATOM 864 N ASN A 57 7.990 4.539 0.280 1.00 0.00 N ATOM 865 CA ASN A 57 8.657 4.910 1.523 1.00 0.00 C ATOM 866 C ASN A 57 7.689 4.841 2.701 1.00 0.00 C ATOM 867 O ASN A 57 8.101 4.661 3.847 1.00 0.00 O ATOM 868 CB ASN A 57 9.242 6.319 1.411 1.00 0.00 C ATOM 869 CG ASN A 57 10.134 6.480 0.195 1.00 0.00 C ATOM 870 OD1 ASN A 57 10.870 5.565 -0.175 1.00 0.00 O ATOM 871 ND2 ASN A 57 10.071 7.648 -0.434 1.00 0.00 N ATOM 0 H ASN A 57 7.982 5.272 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 57 9.466 4.201 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.429 7.044 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.815 6.544 2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.647 7.815 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.446 8.378 -0.092 1.00 0.00 H new ATOM 878 N PHE A 58 6.401 4.985 2.410 1.00 0.00 N ATOM 879 CA PHE A 58 5.374 4.939 3.444 1.00 0.00 C ATOM 880 C PHE A 58 5.122 3.504 3.897 1.00 0.00 C ATOM 881 O PHE A 58 4.811 3.255 5.062 1.00 0.00 O ATOM 882 CB PHE A 58 4.073 5.559 2.929 1.00 0.00 C ATOM 883 CG PHE A 58 4.004 7.048 3.116 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.040 7.862 2.689 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.901 7.633 3.718 1.00 0.00 C ATOM 886 CE1 PHE A 58 4.979 9.232 2.861 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.834 9.003 3.892 1.00 0.00 C ATOM 888 CZ PHE A 58 3.874 9.803 3.462 1.00 0.00 C ATOM 0 H PHE A 58 6.043 5.135 1.467 1.00 0.00 H new ATOM 0 HA PHE A 58 5.729 5.514 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.964 5.328 1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.231 5.097 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.905 7.421 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.085 7.012 4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.795 9.856 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.970 9.447 4.364 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.824 10.874 3.595 1.00 0.00 H new ATOM 898 N VAL A 59 5.257 2.564 2.968 1.00 0.00 N ATOM 899 CA VAL A 59 5.044 1.153 3.270 1.00 0.00 C ATOM 900 C VAL A 59 6.371 0.415 3.408 1.00 0.00 C ATOM 901 O VAL A 59 7.410 0.898 2.959 1.00 0.00 O ATOM 902 CB VAL A 59 4.199 0.467 2.181 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.868 1.184 2.007 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.962 0.416 0.867 1.00 0.00 C ATOM 0 H VAL A 59 5.513 2.754 1.999 1.00 0.00 H new ATOM 0 HA VAL A 59 4.506 1.110 4.217 1.00 0.00 H new ATOM 0 HB VAL A 59 3.995 -0.557 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.284 0.685 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.317 1.162 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.048 2.219 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.349 -0.072 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.199 1.430 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.886 -0.146 1.004 1.00 0.00 H new ATOM 914 N GLN A 60 6.327 -0.757 4.033 1.00 0.00 N ATOM 915 CA GLN A 60 7.527 -1.562 4.230 1.00 0.00 C ATOM 916 C GLN A 60 7.246 -3.035 3.952 1.00 0.00 C ATOM 917 O GLN A 60 6.493 -3.681 4.681 1.00 0.00 O ATOM 918 CB GLN A 60 8.052 -1.391 5.657 1.00 0.00 C ATOM 919 CG GLN A 60 9.307 -2.200 5.944 1.00 0.00 C ATOM 920 CD GLN A 60 9.800 -2.026 7.367 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.022 -1.736 8.275 1.00 0.00 O ATOM 922 NE2 GLN A 60 11.101 -2.203 7.568 1.00 0.00 N ATOM 0 H GLN A 60 5.475 -1.170 4.411 1.00 0.00 H new ATOM 0 HA GLN A 60 8.285 -1.217 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.261 -0.336 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.272 -1.684 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.105 -3.255 5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.094 -1.901 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.710 -2.443 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.491 -2.099 8.505 1.00 0.00 H new ATOM 931 N ARG A 61 7.856 -3.560 2.895 1.00 0.00 N ATOM 932 CA ARG A 61 7.670 -4.956 2.520 1.00 0.00 C ATOM 933 C ARG A 61 7.563 -5.842 3.758 1.00 0.00 C ATOM 934 O ARG A 61 8.306 -5.667 4.725 1.00 0.00 O ATOM 935 CB ARG A 61 8.828 -5.429 1.639 1.00 0.00 C ATOM 936 CG ARG A 61 8.631 -6.824 1.071 1.00 0.00 C ATOM 937 CD ARG A 61 9.086 -7.895 2.050 1.00 0.00 C ATOM 938 NE ARG A 61 9.018 -9.233 1.469 1.00 0.00 N ATOM 939 CZ ARG A 61 9.960 -9.742 0.683 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.038 -9.028 0.387 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.827 -10.967 0.192 1.00 0.00 N ATOM 0 H ARG A 61 8.484 -3.039 2.283 1.00 0.00 H new ATOM 0 HA ARG A 61 6.740 -5.034 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.958 -4.726 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.748 -5.410 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.579 -6.974 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.189 -6.921 0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.109 -7.688 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.464 -7.856 2.944 1.00 0.00 H new ATOM 0 HE ARG A 61 8.202 -9.808 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.145 -8.086 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.760 -9.421 -0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.000 -11.520 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.552 -11.356 -0.411 1.00 0.00 H new ATOM 955 N LEU A 62 6.636 -6.792 3.721 1.00 0.00 N ATOM 956 CA LEU A 62 6.431 -7.705 4.840 1.00 0.00 C ATOM 957 C LEU A 62 6.953 -9.099 4.508 1.00 0.00 C ATOM 958 O LEU A 62 6.600 -9.676 3.479 1.00 0.00 O ATOM 959 CB LEU A 62 4.946 -7.776 5.201 1.00 0.00 C ATOM 960 CG LEU A 62 4.368 -6.550 5.908 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.858 -6.674 6.041 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.012 -6.369 7.275 1.00 0.00 C ATOM 0 H LEU A 62 6.014 -6.950 2.928 1.00 0.00 H new ATOM 0 HA LEU A 62 6.988 -7.323 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.378 -7.944 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.789 -8.646 5.839 1.00 0.00 H new ATOM 0 HG LEU A 62 4.589 -5.669 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.464 -5.793 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.411 -6.754 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.616 -7.564 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.588 -5.492 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.823 -7.251 7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.087 -6.234 7.156 1.00 0.00 H new