USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ 140:sc= 0.0584 (180deg=0) USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0.0625 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.4) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -6.99! C(o=-7!,f=-8!) USER MOD Single : A 23 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -55:sc= 0.115 USER MOD Single : A 31 ASN : amide:sc= -2.63 K(o=-2.6,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.4!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -64:sc= 0.002 USER MOD Single : A 53 ASN : amide:sc= -0.656 K(o=-0.66,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0613 K(o=-0.061,f=-2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.886 K(o=-0.89,f=-4.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.213 -6.390 2.559 1.00 1.18 N ATOM 59 CA MET A 9 -13.821 -5.971 2.672 1.00 0.82 C ATOM 60 C MET A 9 -13.036 -6.388 1.436 1.00 0.72 C ATOM 61 O MET A 9 -13.145 -7.525 0.975 1.00 0.97 O ATOM 62 CB MET A 9 -13.192 -6.585 3.919 1.00 1.08 C ATOM 63 CG MET A 9 -12.254 -5.606 4.618 1.00 1.61 C ATOM 64 SD MET A 9 -10.834 -6.422 5.364 1.00 2.27 S ATOM 65 CE MET A 9 -10.647 -5.464 6.876 1.00 2.82 C ATOM 0 HA MET A 9 -13.791 -4.884 2.753 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.978 -6.892 4.609 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.640 -7.484 3.643 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.906 -4.865 3.898 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.805 -5.067 5.389 1.00 1.61 H new ATOM 0 HE1 MET A 9 -9.804 -5.850 7.449 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.467 -4.419 6.625 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.557 -5.542 7.471 1.00 2.82 H new ATOM 75 N ASP A 10 -12.246 -5.464 0.900 1.00 0.49 N ATOM 76 CA ASP A 10 -11.445 -5.737 -0.286 1.00 0.42 C ATOM 77 C ASP A 10 -9.959 -5.625 0.034 1.00 0.38 C ATOM 78 O ASP A 10 -9.518 -4.652 0.646 1.00 0.54 O ATOM 79 CB ASP A 10 -11.811 -4.760 -1.398 1.00 0.44 C ATOM 80 CG ASP A 10 -12.951 -5.318 -2.241 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.202 -6.540 -2.168 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.590 -4.533 -2.971 1.00 1.53 O ATOM 0 H ASP A 10 -12.144 -4.519 1.269 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.654 -6.754 -0.618 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.103 -3.802 -0.968 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -10.941 -4.574 -2.028 1.00 0.44 H new ATOM 87 N TYR A 11 -9.192 -6.626 -0.384 1.00 0.40 N ATOM 88 CA TYR A 11 -7.753 -6.643 -0.144 1.00 0.37 C ATOM 89 C TYR A 11 -6.997 -6.929 -1.434 1.00 0.34 C ATOM 90 O TYR A 11 -7.507 -7.605 -2.328 1.00 0.38 O ATOM 91 CB TYR A 11 -7.413 -7.702 0.903 1.00 0.42 C ATOM 92 CG TYR A 11 -7.595 -9.111 0.396 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.622 -9.696 -0.395 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.737 -9.823 0.716 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.790 -10.988 -0.862 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.906 -11.115 0.248 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.931 -11.691 -0.540 1.00 0.67 C ATOM 98 OH TYR A 11 -8.098 -12.975 -1.005 1.00 0.78 O ATOM 0 H TYR A 11 -9.543 -7.438 -0.892 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.452 -5.662 0.224 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.380 -7.568 1.225 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.043 -7.553 1.780 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.730 -9.143 -0.649 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.499 -9.370 1.333 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.029 -11.444 -1.477 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.798 -11.670 0.499 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.954 -13.329 -0.687 1.00 0.78 H new ATOM 108 N VAL A 12 -5.777 -6.410 -1.527 1.00 0.34 N ATOM 109 CA VAL A 12 -4.945 -6.607 -2.707 1.00 0.34 C ATOM 110 C VAL A 12 -3.472 -6.482 -2.342 1.00 0.35 C ATOM 111 O VAL A 12 -3.124 -5.912 -1.308 1.00 0.51 O ATOM 112 CB VAL A 12 -5.288 -5.593 -3.806 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.141 -6.249 -4.888 1.00 0.81 C ATOM 114 CG2 VAL A 12 -5.985 -4.348 -3.251 1.00 0.52 C ATOM 0 H VAL A 12 -5.342 -5.848 -0.796 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.142 -7.609 -3.087 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.347 -5.263 -4.246 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.376 -5.516 -5.660 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.591 -7.080 -5.331 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -7.066 -6.620 -4.447 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.207 -3.661 -4.068 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -6.913 -4.639 -2.759 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.332 -3.856 -2.530 1.00 0.52 H new ATOM 124 N GLU A 13 -2.610 -7.017 -3.200 1.00 0.49 N ATOM 125 CA GLU A 13 -1.171 -6.966 -2.974 1.00 0.54 C ATOM 126 C GLU A 13 -0.458 -6.480 -4.228 1.00 0.50 C ATOM 127 O GLU A 13 -0.835 -6.837 -5.344 1.00 0.60 O ATOM 128 CB GLU A 13 -0.654 -8.345 -2.586 1.00 0.67 C ATOM 129 CG GLU A 13 -0.935 -9.375 -3.675 1.00 1.05 C ATOM 130 CD GLU A 13 -0.737 -10.785 -3.133 1.00 1.43 C ATOM 131 OE1 GLU A 13 -1.697 -11.342 -2.561 1.00 2.05 O ATOM 132 OE2 GLU A 13 0.377 -11.329 -3.281 1.00 1.97 O ATOM 0 H GLU A 13 -2.884 -7.492 -4.060 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.970 -6.269 -2.161 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.419 -8.293 -2.401 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -1.123 -8.662 -1.655 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.955 -9.259 -4.041 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.271 -9.208 -4.523 1.00 1.05 H new ATOM 139 N ILE A 14 0.570 -5.660 -4.040 1.00 0.48 N ATOM 140 CA ILE A 14 1.331 -5.123 -5.161 1.00 0.49 C ATOM 141 C ILE A 14 2.799 -5.520 -5.060 1.00 0.48 C ATOM 142 O ILE A 14 3.440 -5.315 -4.029 1.00 0.43 O ATOM 143 CB ILE A 14 1.200 -3.602 -5.196 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.631 -2.988 -3.866 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.230 -3.194 -5.534 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.647 -1.462 -3.931 1.00 0.63 C ATOM 0 H ILE A 14 0.895 -5.353 -3.123 1.00 0.48 H new ATOM 0 HA ILE A 14 0.928 -5.540 -6.084 1.00 0.49 H new ATOM 0 HB ILE A 14 1.861 -3.223 -5.976 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.952 -3.312 -3.078 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.624 -3.352 -3.601 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.303 -2.107 -5.554 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.501 -3.594 -6.511 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.909 -3.589 -4.779 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.958 -1.060 -2.967 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.346 -1.138 -4.702 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.648 -1.098 -4.170 1.00 0.63 H new ATOM 158 N ASN A 15 3.329 -6.086 -6.141 1.00 0.59 N ATOM 159 CA ASN A 15 4.726 -6.506 -6.179 1.00 0.62 C ATOM 160 C ASN A 15 5.632 -5.292 -6.299 1.00 0.60 C ATOM 161 O ASN A 15 5.469 -4.470 -7.201 1.00 0.78 O ATOM 162 CB ASN A 15 4.959 -7.449 -7.356 1.00 0.79 C ATOM 163 CG ASN A 15 3.895 -8.538 -7.381 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.765 -8.307 -7.810 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.256 -9.729 -6.918 1.00 1.54 N ATOM 0 H ASN A 15 2.812 -6.264 -7.002 1.00 0.59 H new ATOM 0 HA ASN A 15 4.960 -7.032 -5.254 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.936 -6.888 -8.290 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.948 -7.900 -7.279 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.585 -10.497 -6.909 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.204 -9.876 -6.572 1.00 1.54 H new ATOM 172 N ILE A 16 6.585 -5.174 -5.381 1.00 0.49 N ATOM 173 CA ILE A 16 7.509 -4.049 -5.384 1.00 0.49 C ATOM 174 C ILE A 16 8.939 -4.519 -5.144 1.00 0.56 C ATOM 175 O ILE A 16 9.166 -5.570 -4.545 1.00 0.66 O ATOM 176 CB ILE A 16 7.108 -3.050 -4.306 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.608 -2.760 -4.372 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.912 -1.763 -4.437 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.245 -1.928 -5.599 1.00 0.84 C ATOM 0 H ILE A 16 6.737 -5.844 -4.627 1.00 0.49 H new ATOM 0 HA ILE A 16 7.464 -3.569 -6.362 1.00 0.49 H new ATOM 0 HB ILE A 16 7.329 -3.490 -3.334 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.057 -3.700 -4.394 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.300 -2.231 -3.470 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.609 -1.064 -3.657 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.974 -1.985 -4.333 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.729 -1.317 -5.415 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.171 -1.744 -5.609 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.776 -0.977 -5.564 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.529 -2.468 -6.502 1.00 0.84 H new ATOM 191 N ASP A 17 9.901 -3.734 -5.621 1.00 0.63 N ATOM 192 CA ASP A 17 11.309 -4.067 -5.462 1.00 0.75 C ATOM 193 C ASP A 17 12.190 -2.879 -5.832 1.00 1.00 C ATOM 194 O ASP A 17 13.309 -3.053 -6.312 1.00 1.75 O ATOM 195 CB ASP A 17 11.655 -5.254 -6.348 1.00 1.27 C ATOM 196 CG ASP A 17 12.612 -6.196 -5.628 1.00 1.63 C ATOM 197 OD1 ASP A 17 13.131 -5.813 -4.558 1.00 2.21 O ATOM 198 OD2 ASP A 17 12.841 -7.314 -6.136 1.00 2.16 O ATOM 0 H ASP A 17 9.728 -2.862 -6.121 1.00 0.63 H new ATOM 0 HA ASP A 17 11.490 -4.321 -4.418 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.745 -5.789 -6.621 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.109 -4.903 -7.275 1.00 1.27 H new ATOM 203 N HIS A 18 11.682 -1.673 -5.606 1.00 1.27 N ATOM 204 CA HIS A 18 12.427 -0.459 -5.920 1.00 1.85 C ATOM 205 C HIS A 18 12.646 0.376 -4.664 1.00 1.32 C ATOM 206 O HIS A 18 12.531 1.602 -4.692 1.00 2.00 O ATOM 207 CB HIS A 18 11.676 0.357 -6.968 1.00 2.83 C ATOM 208 CG HIS A 18 12.464 0.552 -8.227 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.388 1.553 -8.389 1.00 4.01 N ATOM 210 CD2 HIS A 18 12.476 -0.127 -9.403 1.00 4.16 C ATOM 211 CE1 HIS A 18 13.934 1.501 -9.581 1.00 4.73 C ATOM 212 NE2 HIS A 18 13.399 0.482 -10.233 1.00 4.84 N ATOM 0 H HIS A 18 10.758 -1.509 -5.207 1.00 1.27 H new ATOM 0 HA HIS A 18 13.401 -0.743 -6.319 1.00 1.85 H new ATOM 0 HB2 HIS A 18 10.737 -0.143 -7.206 1.00 2.83 H new ATOM 0 HB3 HIS A 18 11.422 1.331 -6.550 1.00 2.83 H new ATOM 0 HD2 HIS A 18 11.872 -0.989 -9.646 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.688 2.173 -9.963 1.00 4.73 H new ATOM 0 HE2 HIS A 18 13.628 0.195 -11.185 1.00 4.84 H new ATOM 220 N LYS A 19 12.963 -0.294 -3.560 1.00 0.82 N ATOM 221 CA LYS A 19 13.200 0.388 -2.293 1.00 0.84 C ATOM 222 C LYS A 19 12.013 1.276 -1.937 1.00 0.77 C ATOM 223 O LYS A 19 12.163 2.277 -1.235 1.00 1.13 O ATOM 224 CB LYS A 19 14.467 1.233 -2.385 1.00 1.47 C ATOM 225 CG LYS A 19 15.723 0.384 -2.212 1.00 1.97 C ATOM 226 CD LYS A 19 16.185 -0.215 -3.537 1.00 2.72 C ATOM 227 CE LYS A 19 15.513 -1.557 -3.811 1.00 3.37 C ATOM 228 NZ LYS A 19 16.519 -2.648 -3.944 1.00 4.03 N ATOM 0 H LYS A 19 13.062 -1.308 -3.518 1.00 0.82 H new ATOM 0 HA LYS A 19 13.324 -0.362 -1.512 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.499 1.738 -3.350 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.444 2.009 -1.620 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.521 0.996 -1.791 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.526 -0.417 -1.499 1.00 1.97 H new ATOM 0 HD2 LYS A 19 15.960 0.478 -4.348 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.267 -0.346 -3.520 1.00 2.72 H new ATOM 0 HE2 LYS A 19 14.823 -1.793 -3.001 1.00 3.37 H new ATOM 0 HE3 LYS A 19 14.922 -1.491 -4.725 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 16.032 -3.548 -4.130 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.162 -2.433 -4.732 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.066 -2.726 -3.063 1.00 4.03 H new ATOM 242 N PHE A 20 10.835 0.906 -2.428 1.00 0.63 N ATOM 243 CA PHE A 20 9.621 1.671 -2.165 1.00 0.61 C ATOM 244 C PHE A 20 9.354 1.773 -0.670 1.00 0.62 C ATOM 245 O PHE A 20 9.377 2.864 -0.105 1.00 0.95 O ATOM 246 CB PHE A 20 8.427 1.003 -2.840 1.00 0.62 C ATOM 247 CG PHE A 20 8.181 1.479 -4.252 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.231 1.936 -5.034 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.897 1.460 -4.771 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.997 2.369 -6.327 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.664 1.894 -6.064 1.00 1.17 C ATOM 252 CZ PHE A 20 7.713 2.348 -6.842 1.00 1.19 C ATOM 0 H PHE A 20 10.695 0.081 -3.011 1.00 0.63 H new ATOM 0 HA PHE A 20 9.762 2.674 -2.568 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.585 -0.075 -2.852 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.534 1.188 -2.243 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.234 1.954 -4.633 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.076 1.106 -4.165 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.817 2.723 -6.934 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.662 1.878 -6.466 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.530 2.686 -7.851 1.00 1.19 H new ATOM 262 N HIS A 21 9.083 0.618 -0.055 1.00 0.53 N ATOM 263 CA HIS A 21 8.775 0.504 1.381 1.00 0.57 C ATOM 264 C HIS A 21 9.354 1.653 2.208 1.00 0.69 C ATOM 265 O HIS A 21 8.633 2.572 2.595 1.00 1.03 O ATOM 266 CB HIS A 21 9.306 -0.822 1.916 1.00 0.54 C ATOM 267 CG HIS A 21 8.500 -2.007 1.481 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.177 -3.043 2.318 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.949 -2.344 0.285 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.478 -3.958 1.689 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.319 -3.564 0.438 1.00 0.42 N ATOM 0 H HIS A 21 9.070 -0.278 -0.543 1.00 0.53 H new ATOM 0 HA HIS A 21 7.690 0.551 1.478 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.336 -0.952 1.585 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.324 -0.784 3.005 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.445 -3.096 3.301 1.00 0.48 H new ATOM 0 HD2 HIS A 21 7.995 -1.762 -0.623 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.099 -4.873 2.119 1.00 0.45 H new ATOM 279 N ARG A 22 10.652 1.592 2.478 1.00 0.68 N ATOM 280 CA ARG A 22 11.317 2.625 3.264 1.00 0.80 C ATOM 281 C ARG A 22 11.005 4.012 2.713 1.00 0.81 C ATOM 282 O ARG A 22 10.747 4.947 3.471 1.00 0.92 O ATOM 283 CB ARG A 22 12.825 2.396 3.259 1.00 0.93 C ATOM 284 CG ARG A 22 13.545 3.387 4.168 1.00 1.64 C ATOM 285 CD ARG A 22 15.013 3.015 4.359 1.00 2.14 C ATOM 286 NE ARG A 22 15.251 2.577 5.729 1.00 2.73 N ATOM 287 CZ ARG A 22 16.298 3.003 6.426 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.528 2.798 5.973 1.00 3.72 N ATOM 289 NH2 ARG A 22 16.118 3.637 7.577 1.00 3.95 N ATOM 0 H ARG A 22 11.265 0.839 2.165 1.00 0.68 H new ATOM 0 HA ARG A 22 10.946 2.567 4.287 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.040 1.379 3.586 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.205 2.492 2.242 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.476 4.388 3.742 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.048 3.418 5.138 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.287 2.222 3.664 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.645 3.873 4.129 1.00 2.14 H new ATOM 0 HE ARG A 22 14.596 1.927 6.163 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.671 2.312 5.088 1.00 3.72 H new ATOM 0 HH12 ARG A 22 18.331 3.126 6.510 1.00 3.72 H new ATOM 0 HH21 ARG A 22 15.174 3.798 7.928 1.00 3.95 H new ATOM 0 HH22 ARG A 22 16.924 3.963 8.111 1.00 3.95 H new ATOM 303 N HIS A 23 11.036 4.142 1.391 1.00 0.90 N ATOM 304 CA HIS A 23 10.763 5.418 0.739 1.00 0.98 C ATOM 305 C HIS A 23 9.334 5.876 1.012 1.00 0.96 C ATOM 306 O HIS A 23 9.101 7.034 1.356 1.00 1.12 O ATOM 307 CB HIS A 23 10.989 5.292 -0.764 1.00 1.02 C ATOM 308 CG HIS A 23 12.413 5.528 -1.162 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.440 5.618 -0.259 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.998 5.689 -2.377 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.585 5.822 -0.869 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.353 5.872 -2.170 1.00 1.86 N ATOM 0 H HIS A 23 11.248 3.378 0.749 1.00 0.90 H new ATOM 0 HA HIS A 23 11.446 6.164 1.147 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.687 4.297 -1.089 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.349 6.005 -1.283 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.495 5.676 -3.333 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.548 5.930 -0.392 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.054 6.020 -2.896 1.00 1.86 H new ATOM 320 N LEU A 24 8.380 4.964 0.851 1.00 0.86 N ATOM 321 CA LEU A 24 6.974 5.279 1.074 1.00 0.87 C ATOM 322 C LEU A 24 6.755 5.809 2.485 1.00 0.97 C ATOM 323 O LEU A 24 6.238 6.911 2.669 1.00 1.16 O ATOM 324 CB LEU A 24 6.111 4.038 0.849 1.00 0.73 C ATOM 325 CG LEU A 24 6.291 3.456 -0.555 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.277 2.345 -0.809 1.00 0.72 C ATOM 327 CD2 LEU A 24 6.178 4.542 -1.623 1.00 1.25 C ATOM 0 H LEU A 24 8.556 4.000 0.567 1.00 0.86 H new ATOM 0 HA LEU A 24 6.683 6.052 0.362 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.366 3.281 1.590 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.063 4.294 1.003 1.00 0.73 H new ATOM 0 HG LEU A 24 7.293 3.031 -0.615 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.421 1.944 -1.812 1.00 0.72 H new ATOM 0 HD12 LEU A 24 5.417 1.550 -0.077 1.00 0.72 H new ATOM 0 HD13 LEU A 24 4.268 2.746 -0.720 1.00 0.72 H new ATOM 0 HD21 LEU A 24 6.310 4.097 -2.609 1.00 1.25 H new ATOM 0 HD22 LEU A 24 5.195 5.009 -1.564 1.00 1.25 H new ATOM 0 HD23 LEU A 24 6.948 5.296 -1.458 1.00 1.25 H new ATOM 339 N ILE A 25 7.145 5.020 3.481 1.00 0.92 N ATOM 340 CA ILE A 25 6.982 5.417 4.875 1.00 1.10 C ATOM 341 C ILE A 25 7.652 6.761 5.135 1.00 1.41 C ATOM 342 O ILE A 25 7.262 7.493 6.045 1.00 1.91 O ATOM 343 CB ILE A 25 7.570 4.351 5.794 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.078 4.227 5.600 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.894 3.005 5.563 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.754 3.758 6.882 1.00 0.91 C ATOM 0 H ILE A 25 7.575 4.104 3.349 1.00 0.92 H new ATOM 0 HA ILE A 25 5.917 5.518 5.083 1.00 1.10 H new ATOM 0 HB ILE A 25 7.384 4.661 6.822 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.288 3.523 4.795 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.490 5.190 5.298 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.329 2.260 6.229 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.827 3.094 5.766 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.042 2.697 4.528 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.829 3.677 6.718 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.561 4.476 7.679 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.356 2.784 7.168 1.00 0.91 H new ATOM 358 N GLY A 26 8.661 7.080 4.331 1.00 1.49 N ATOM 359 CA GLY A 26 9.386 8.338 4.473 1.00 1.87 C ATOM 360 C GLY A 26 10.415 8.251 5.593 1.00 1.82 C ATOM 361 O GLY A 26 11.369 7.478 5.513 1.00 2.29 O ATOM 0 H GLY A 26 8.996 6.484 3.574 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.884 8.583 3.535 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.684 9.145 4.681 1.00 1.87 H new ATOM 365 N LYS A 27 10.214 9.047 6.638 1.00 1.86 N ATOM 366 CA LYS A 27 11.125 9.059 7.777 1.00 1.91 C ATOM 367 C LYS A 27 11.072 7.726 8.512 1.00 1.62 C ATOM 368 O LYS A 27 12.094 7.065 8.697 1.00 2.38 O ATOM 369 CB LYS A 27 10.757 10.191 8.731 1.00 2.21 C ATOM 370 CG LYS A 27 10.818 11.550 8.040 1.00 2.65 C ATOM 371 CD LYS A 27 12.246 12.088 7.984 1.00 3.30 C ATOM 372 CE LYS A 27 12.870 11.884 6.607 1.00 3.80 C ATOM 373 NZ LYS A 27 13.130 13.187 5.933 1.00 4.51 N ATOM 0 H LYS A 27 9.428 9.692 6.720 1.00 1.86 H new ATOM 0 HA LYS A 27 12.139 9.218 7.409 1.00 1.91 H new ATOM 0 HB2 LYS A 27 9.753 10.026 9.122 1.00 2.21 H new ATOM 0 HB3 LYS A 27 11.436 10.185 9.583 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.421 11.463 7.028 1.00 2.65 H new ATOM 0 HG3 LYS A 27 10.182 12.258 8.572 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.245 13.150 8.230 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.854 11.587 8.737 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.804 11.331 6.707 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.206 11.279 5.990 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 13.554 13.016 4.999 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 12.234 13.703 5.817 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 13.783 13.753 6.512 1.00 4.51 H new ATOM 387 N SER A 28 9.872 7.334 8.926 1.00 1.28 N ATOM 388 CA SER A 28 9.680 6.077 9.641 1.00 1.60 C ATOM 389 C SER A 28 8.198 5.741 9.737 1.00 1.60 C ATOM 390 O SER A 28 7.727 5.260 10.767 1.00 2.28 O ATOM 391 CB SER A 28 10.280 6.174 11.039 1.00 1.99 C ATOM 392 OG SER A 28 10.456 4.877 11.591 1.00 2.57 O ATOM 0 H SER A 28 9.016 7.869 8.779 1.00 1.28 H new ATOM 0 HA SER A 28 10.184 5.284 9.089 1.00 1.60 H new ATOM 0 HB2 SER A 28 11.238 6.691 10.996 1.00 1.99 H new ATOM 0 HB3 SER A 28 9.628 6.765 11.682 1.00 1.99 H new ATOM 0 HG SER A 28 9.603 4.395 11.571 1.00 2.57 H new ATOM 398 N GLY A 29 7.465 5.999 8.658 1.00 1.21 N ATOM 399 CA GLY A 29 6.034 5.724 8.624 1.00 1.23 C ATOM 400 C GLY A 29 5.229 7.010 8.754 1.00 1.36 C ATOM 401 O GLY A 29 4.908 7.444 9.860 1.00 2.05 O ATOM 0 H GLY A 29 7.839 6.398 7.797 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.778 5.223 7.690 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.771 5.043 9.433 1.00 1.23 H new ATOM 405 N ALA A 30 4.907 7.615 7.616 1.00 1.00 N ATOM 406 CA ALA A 30 4.138 8.854 7.596 1.00 1.10 C ATOM 407 C ALA A 30 3.194 8.879 6.402 1.00 1.06 C ATOM 408 O ALA A 30 2.022 9.235 6.533 1.00 1.43 O ATOM 409 CB ALA A 30 5.083 10.052 7.533 1.00 1.27 C ATOM 0 H ALA A 30 5.167 7.267 6.693 1.00 1.00 H new ATOM 0 HA ALA A 30 3.546 8.909 8.510 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.501 10.974 7.518 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.735 10.048 8.407 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.689 9.991 6.629 1.00 1.27 H new ATOM 415 N ASN A 31 3.710 8.501 5.238 1.00 0.73 N ATOM 416 CA ASN A 31 2.914 8.480 4.016 1.00 0.69 C ATOM 417 C ASN A 31 1.750 7.510 4.152 1.00 0.60 C ATOM 418 O ASN A 31 0.636 7.797 3.716 1.00 0.58 O ATOM 419 CB ASN A 31 3.786 8.071 2.832 1.00 0.71 C ATOM 420 CG ASN A 31 3.020 8.240 1.526 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.209 9.154 1.384 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.279 7.354 0.570 1.00 1.42 N ATOM 0 H ASN A 31 4.678 8.204 5.115 1.00 0.73 H new ATOM 0 HA ASN A 31 2.519 9.481 3.846 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.691 8.678 2.812 1.00 0.71 H new ATOM 0 HB3 ASN A 31 4.101 7.034 2.945 1.00 0.71 H new ATOM 0 HD21 ASN A 31 2.797 7.416 -0.327 1.00 1.42 H new ATOM 0 HD22 ASN A 31 3.960 6.612 0.733 1.00 1.42 H new ATOM 429 N ILE A 32 2.015 6.357 4.759 1.00 0.58 N ATOM 430 CA ILE A 32 0.992 5.334 4.953 1.00 0.56 C ATOM 431 C ILE A 32 -0.298 5.947 5.489 1.00 0.52 C ATOM 432 O ILE A 32 -1.394 5.515 5.134 1.00 0.51 O ATOM 433 CB ILE A 32 1.500 4.267 5.915 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.167 4.909 7.129 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.468 3.321 5.211 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.388 3.895 8.246 1.00 1.07 C ATOM 0 H ILE A 32 2.933 6.107 5.126 1.00 0.58 H new ATOM 0 HA ILE A 32 0.778 4.877 3.987 1.00 0.56 H new ATOM 0 HB ILE A 32 0.644 3.687 6.260 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.123 5.341 6.834 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.547 5.727 7.496 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.818 2.567 5.916 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.959 2.832 4.380 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.319 3.887 4.832 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.865 4.386 9.094 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.429 3.482 8.558 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.029 3.091 7.886 1.00 1.07 H new ATOM 448 N ASN A 33 -0.165 6.953 6.345 1.00 0.56 N ATOM 449 CA ASN A 33 -1.324 7.619 6.929 1.00 0.59 C ATOM 450 C ASN A 33 -2.019 8.501 5.898 1.00 0.54 C ATOM 451 O ASN A 33 -3.245 8.504 5.796 1.00 0.55 O ATOM 452 CB ASN A 33 -0.894 8.462 8.125 1.00 0.71 C ATOM 453 CG ASN A 33 -1.885 8.298 9.268 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.529 7.832 10.351 1.00 1.51 O ATOM 455 ND2 ASN A 33 -3.133 8.682 9.029 1.00 1.62 N ATOM 0 H ASN A 33 0.734 7.326 6.651 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.027 6.855 7.260 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.102 8.162 8.452 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.832 9.511 7.836 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.841 8.596 9.758 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.384 9.063 8.117 1.00 1.62 H new ATOM 462 N ARG A 34 -1.229 9.253 5.138 1.00 0.55 N ATOM 463 CA ARG A 34 -1.768 10.143 4.117 1.00 0.56 C ATOM 464 C ARG A 34 -2.734 9.398 3.204 1.00 0.48 C ATOM 465 O ARG A 34 -3.850 9.856 2.963 1.00 0.48 O ATOM 466 CB ARG A 34 -0.631 10.742 3.295 1.00 0.65 C ATOM 467 CG ARG A 34 -0.486 12.240 3.544 1.00 0.89 C ATOM 468 CD ARG A 34 0.910 12.593 4.052 1.00 1.22 C ATOM 469 NE ARG A 34 1.398 13.801 3.397 1.00 1.69 N ATOM 470 CZ ARG A 34 1.726 13.813 2.110 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.615 12.947 1.642 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.166 14.689 1.288 1.00 2.78 N ATOM 0 H ARG A 34 -0.212 9.263 5.211 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.314 10.945 4.614 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.303 10.239 3.545 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.815 10.565 2.235 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.686 12.784 2.621 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.231 12.562 4.272 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.884 12.742 5.131 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.594 11.766 3.860 1.00 1.22 H new ATOM 0 HE ARG A 34 1.490 14.659 3.941 1.00 1.69 H new ATOM 0 HH11 ARG A 34 3.048 12.270 2.271 1.00 2.90 H new ATOM 0 HH12 ARG A 34 2.866 12.958 0.653 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.481 15.356 1.643 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.420 14.696 0.300 1.00 2.78 H new ATOM 486 N ILE A 35 -2.302 8.246 2.698 1.00 0.45 N ATOM 487 CA ILE A 35 -3.137 7.440 1.813 1.00 0.40 C ATOM 488 C ILE A 35 -4.321 6.874 2.587 1.00 0.34 C ATOM 489 O ILE A 35 -5.477 7.128 2.249 1.00 0.34 O ATOM 490 CB ILE A 35 -2.312 6.309 1.198 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.171 6.874 0.356 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.191 5.391 0.353 1.00 0.40 C ATOM 493 CD1 ILE A 35 0.083 7.114 1.191 1.00 1.29 C ATOM 0 H ILE A 35 -1.381 7.851 2.885 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.515 8.071 1.009 1.00 0.40 H new ATOM 0 HB ILE A 35 -1.886 5.721 2.011 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.941 6.183 -0.455 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.487 7.811 -0.103 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.581 4.595 -0.074 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -3.970 4.956 0.979 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.651 5.966 -0.451 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.872 7.516 0.555 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.140 7.825 1.986 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.414 6.172 1.629 1.00 1.29 H new ATOM 505 N LYS A 36 -4.023 6.109 3.636 1.00 0.35 N ATOM 506 CA LYS A 36 -5.053 5.504 4.479 1.00 0.36 C ATOM 507 C LYS A 36 -6.161 6.506 4.791 1.00 0.39 C ATOM 508 O LYS A 36 -7.312 6.125 4.999 1.00 0.51 O ATOM 509 CB LYS A 36 -4.429 5.013 5.782 1.00 0.44 C ATOM 510 CG LYS A 36 -3.512 3.815 5.552 1.00 1.09 C ATOM 511 CD LYS A 36 -2.618 3.550 6.762 1.00 1.41 C ATOM 512 CE LYS A 36 -2.610 2.073 7.144 1.00 2.17 C ATOM 513 NZ LYS A 36 -3.440 1.823 8.357 1.00 2.76 N ATOM 0 H LYS A 36 -3.069 5.892 3.924 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.488 4.664 3.938 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.862 5.822 6.242 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.218 4.738 6.483 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.114 2.930 5.343 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -2.892 3.994 4.673 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -1.601 3.874 6.541 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -2.965 4.143 7.608 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -2.988 1.478 6.313 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -1.586 1.748 7.328 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -3.970 0.936 8.238 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -2.823 1.748 9.191 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -4.107 2.610 8.490 1.00 2.76 H new ATOM 527 N ASP A 37 -5.805 7.786 4.824 1.00 0.40 N ATOM 528 CA ASP A 37 -6.763 8.843 5.111 1.00 0.45 C ATOM 529 C ASP A 37 -7.387 9.362 3.820 1.00 0.44 C ATOM 530 O ASP A 37 -8.601 9.541 3.732 1.00 0.60 O ATOM 531 CB ASP A 37 -6.065 9.981 5.840 1.00 0.51 C ATOM 532 CG ASP A 37 -6.838 10.362 7.096 1.00 0.82 C ATOM 533 OD1 ASP A 37 -6.938 9.517 8.012 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.341 11.502 7.164 1.00 1.37 O ATOM 0 H ASP A 37 -4.855 8.116 4.654 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.554 8.438 5.742 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.051 9.683 6.106 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.981 10.845 5.181 1.00 0.51 H new ATOM 539 N GLN A 38 -6.542 9.607 2.823 1.00 0.41 N ATOM 540 CA GLN A 38 -6.995 10.113 1.532 1.00 0.46 C ATOM 541 C GLN A 38 -7.911 9.106 0.847 1.00 0.42 C ATOM 542 O GLN A 38 -9.015 9.447 0.421 1.00 0.68 O ATOM 543 CB GLN A 38 -5.791 10.409 0.642 1.00 0.54 C ATOM 544 CG GLN A 38 -6.212 10.871 -0.748 1.00 0.65 C ATOM 545 CD GLN A 38 -5.906 12.353 -0.929 1.00 1.05 C ATOM 546 OE1 GLN A 38 -5.039 12.906 -0.253 1.00 1.65 O ATOM 547 NE2 GLN A 38 -6.620 12.996 -1.846 1.00 1.66 N ATOM 0 H GLN A 38 -5.534 9.462 2.886 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.558 11.032 1.699 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.175 11.177 1.109 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.174 9.514 0.556 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.688 10.289 -1.506 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.278 10.693 -0.890 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.329 12.496 -2.383 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.459 13.989 -2.013 1.00 1.66 H new ATOM 556 N TYR A 39 -7.444 7.868 0.736 1.00 0.34 N ATOM 557 CA TYR A 39 -8.220 6.814 0.093 1.00 0.34 C ATOM 558 C TYR A 39 -9.002 5.986 1.111 1.00 0.30 C ATOM 559 O TYR A 39 -9.610 4.977 0.755 1.00 0.32 O ATOM 560 CB TYR A 39 -7.290 5.905 -0.707 1.00 0.39 C ATOM 561 CG TYR A 39 -6.541 6.636 -1.792 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.553 7.545 -1.462 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.839 6.400 -3.123 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.864 8.216 -2.458 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.151 7.070 -4.119 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.166 7.976 -3.781 1.00 0.66 C ATOM 567 OH TYR A 39 -4.482 8.644 -4.772 1.00 0.77 O ATOM 0 H TYR A 39 -6.532 7.569 1.083 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.940 7.288 -0.574 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.574 5.440 -0.029 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.874 5.101 -1.155 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.318 7.732 -0.425 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.611 5.691 -3.385 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.092 8.925 -2.199 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.384 6.885 -5.157 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.815 8.359 -5.649 1.00 0.77 H new ATOM 577 N LYS A 40 -8.990 6.404 2.379 1.00 0.28 N ATOM 578 CA LYS A 40 -9.708 5.681 3.429 1.00 0.31 C ATOM 579 C LYS A 40 -9.408 4.187 3.345 1.00 0.29 C ATOM 580 O LYS A 40 -10.321 3.362 3.301 1.00 0.39 O ATOM 581 CB LYS A 40 -11.208 5.916 3.289 1.00 0.38 C ATOM 582 CG LYS A 40 -11.984 5.304 4.452 1.00 0.86 C ATOM 583 CD LYS A 40 -13.009 6.281 5.020 1.00 1.29 C ATOM 584 CE LYS A 40 -13.287 6.011 6.497 1.00 1.88 C ATOM 585 NZ LYS A 40 -12.251 6.634 7.366 1.00 2.56 N ATOM 0 H LYS A 40 -8.494 7.235 2.701 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.376 6.052 4.399 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.406 6.987 3.242 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.558 5.486 2.351 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.490 4.399 4.116 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.289 5.007 5.238 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.646 7.301 4.899 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.938 6.204 4.455 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.269 6.402 6.762 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.314 4.936 6.673 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -12.468 6.433 8.363 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -11.317 6.242 7.129 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -12.243 7.663 7.214 1.00 2.56 H new ATOM 599 N VAL A 41 -8.124 3.849 3.305 1.00 0.23 N ATOM 600 CA VAL A 41 -7.700 2.457 3.203 1.00 0.23 C ATOM 601 C VAL A 41 -6.683 2.109 4.282 1.00 0.27 C ATOM 602 O VAL A 41 -6.373 2.925 5.150 1.00 0.33 O ATOM 603 CB VAL A 41 -7.093 2.216 1.826 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.177 2.220 0.756 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.032 3.269 1.519 1.00 0.23 C ATOM 0 H VAL A 41 -7.357 4.521 3.342 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.572 1.819 3.344 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.615 1.236 1.826 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.725 2.046 -0.221 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.899 1.431 0.967 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.684 3.185 0.755 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.609 3.082 0.532 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.486 4.260 1.537 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.242 3.219 2.268 1.00 0.23 H new ATOM 615 N SER A 42 -6.167 0.883 4.217 1.00 0.29 N ATOM 616 CA SER A 42 -5.184 0.404 5.179 1.00 0.34 C ATOM 617 C SER A 42 -3.979 -0.186 4.455 1.00 0.30 C ATOM 618 O SER A 42 -3.933 -1.387 4.186 1.00 0.36 O ATOM 619 CB SER A 42 -5.812 -0.651 6.083 1.00 0.43 C ATOM 620 OG SER A 42 -5.045 -0.804 7.269 1.00 0.93 O ATOM 0 H SER A 42 -6.418 0.201 3.501 1.00 0.29 H new ATOM 0 HA SER A 42 -4.852 1.245 5.787 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.832 -0.362 6.336 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.872 -1.603 5.555 1.00 0.43 H new ATOM 0 HG SER A 42 -5.460 -1.483 7.841 1.00 0.93 H new ATOM 626 N VAL A 43 -3.007 0.663 4.141 1.00 0.33 N ATOM 627 CA VAL A 43 -1.801 0.224 3.449 1.00 0.34 C ATOM 628 C VAL A 43 -0.842 -0.435 4.432 1.00 0.35 C ATOM 629 O VAL A 43 -0.617 0.071 5.531 1.00 0.55 O ATOM 630 CB VAL A 43 -1.132 1.415 2.764 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.214 1.021 2.157 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.050 1.993 1.692 1.00 1.25 C ATOM 0 H VAL A 43 -3.031 1.660 4.355 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.073 -0.509 2.689 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.948 2.178 3.520 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.665 1.890 1.677 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.875 0.657 2.943 1.00 0.54 H new ATOM 0 HG13 VAL A 43 0.063 0.235 1.417 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.561 2.841 1.212 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.265 1.228 0.946 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -2.982 2.324 2.151 1.00 1.25 H new ATOM 642 N ARG A 44 -0.285 -1.572 4.030 1.00 0.31 N ATOM 643 CA ARG A 44 0.646 -2.311 4.878 1.00 0.42 C ATOM 644 C ARG A 44 1.998 -2.476 4.190 1.00 0.40 C ATOM 645 O ARG A 44 2.085 -3.044 3.102 1.00 0.41 O ATOM 646 CB ARG A 44 0.069 -3.685 5.212 1.00 0.52 C ATOM 647 CG ARG A 44 -1.418 -3.613 5.556 1.00 0.78 C ATOM 648 CD ARG A 44 -1.687 -2.664 6.721 1.00 1.05 C ATOM 649 NE ARG A 44 -0.658 -2.808 7.744 1.00 1.31 N ATOM 650 CZ ARG A 44 -0.862 -3.529 8.842 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.997 -3.409 9.516 1.00 2.28 N ATOM 652 NH2 ARG A 44 0.072 -4.371 9.266 1.00 2.27 N ATOM 0 H ARG A 44 -0.461 -2.003 3.122 1.00 0.31 H new ATOM 0 HA ARG A 44 0.792 -1.744 5.797 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.213 -4.355 4.364 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.615 -4.113 6.052 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.977 -3.282 4.681 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.781 -4.609 5.808 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -1.710 -1.635 6.362 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.667 -2.874 7.150 1.00 1.05 H new ATOM 0 HE ARG A 44 0.241 -2.344 7.614 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.716 -2.762 9.192 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -2.151 -3.963 10.358 1.00 2.28 H new ATOM 0 HH21 ARG A 44 0.946 -4.465 8.749 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -0.085 -4.924 10.109 1.00 2.27 H new ATOM 666 N ILE A 45 3.051 -1.985 4.839 1.00 0.46 N ATOM 667 CA ILE A 45 4.405 -2.085 4.302 1.00 0.47 C ATOM 668 C ILE A 45 5.202 -3.132 5.088 1.00 0.53 C ATOM 669 O ILE A 45 5.736 -2.841 6.158 1.00 0.64 O ATOM 670 CB ILE A 45 5.089 -0.708 4.362 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.549 0.198 3.255 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.616 -0.810 4.265 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.049 -0.228 1.874 1.00 0.56 C ATOM 0 H ILE A 45 2.992 -1.512 5.741 1.00 0.46 H new ATOM 0 HA ILE A 45 4.363 -2.403 3.260 1.00 0.47 H new ATOM 0 HB ILE A 45 4.856 -0.274 5.334 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.459 0.178 3.269 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.851 1.227 3.449 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.051 0.188 4.312 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.994 -1.410 5.093 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.890 -1.281 3.321 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.642 0.442 1.117 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.138 -0.182 1.851 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.724 -1.248 1.668 1.00 0.56 H new ATOM 685 N PRO A 46 5.291 -4.366 4.561 1.00 0.48 N ATOM 686 CA PRO A 46 6.030 -5.449 5.221 1.00 0.58 C ATOM 687 C PRO A 46 7.543 -5.282 5.072 1.00 0.61 C ATOM 688 O PRO A 46 8.086 -5.427 3.978 1.00 0.56 O ATOM 689 CB PRO A 46 5.538 -6.705 4.507 1.00 0.57 C ATOM 690 CG PRO A 46 5.079 -6.246 3.162 1.00 0.47 C ATOM 691 CD PRO A 46 4.688 -4.796 3.289 1.00 0.41 C ATOM 0 HA PRO A 46 5.857 -5.475 6.297 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.335 -7.444 4.419 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.725 -7.177 5.059 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.872 -6.366 2.424 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.233 -6.843 2.821 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.064 -4.208 2.452 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.605 -4.676 3.302 1.00 0.41 H new ATOM 699 N PRO A 47 8.246 -4.971 6.176 1.00 0.74 N ATOM 700 CA PRO A 47 9.703 -4.783 6.149 1.00 0.81 C ATOM 701 C PRO A 47 10.452 -6.094 5.940 1.00 0.87 C ATOM 702 O PRO A 47 10.435 -6.976 6.799 1.00 1.53 O ATOM 703 CB PRO A 47 10.015 -4.176 7.515 1.00 0.98 C ATOM 704 CG PRO A 47 8.900 -4.616 8.401 1.00 1.03 C ATOM 705 CD PRO A 47 7.686 -4.779 7.524 1.00 0.85 C ATOM 0 HA PRO A 47 10.020 -4.151 5.319 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.977 -4.524 7.890 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.069 -3.089 7.460 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.148 -5.555 8.897 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.715 -3.881 9.184 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.083 -5.633 7.831 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.041 -3.901 7.567 1.00 0.85 H new ATOM 713 N ASP A 48 11.111 -6.213 4.791 1.00 1.32 N ATOM 714 CA ASP A 48 11.873 -7.413 4.462 1.00 1.46 C ATOM 715 C ASP A 48 10.947 -8.614 4.311 1.00 1.48 C ATOM 716 O ASP A 48 10.455 -9.158 5.300 1.00 2.18 O ATOM 717 CB ASP A 48 12.907 -7.688 5.550 1.00 2.16 C ATOM 718 CG ASP A 48 12.260 -8.421 6.718 1.00 2.56 C ATOM 719 OD1 ASP A 48 11.157 -8.016 7.140 1.00 3.03 O ATOM 720 OD2 ASP A 48 12.861 -9.399 7.211 1.00 3.01 O ATOM 0 H ASP A 48 11.132 -5.491 4.071 1.00 1.32 H new ATOM 0 HA ASP A 48 12.384 -7.248 3.513 1.00 1.46 H new ATOM 0 HB2 ASP A 48 13.723 -8.285 5.144 1.00 2.16 H new ATOM 0 HB3 ASP A 48 13.340 -6.749 5.895 1.00 2.16 H new ATOM 725 N SER A 49 10.716 -9.024 3.068 1.00 1.59 N ATOM 726 CA SER A 49 9.853 -10.163 2.782 1.00 2.11 C ATOM 727 C SER A 49 10.320 -10.880 1.522 1.00 1.90 C ATOM 728 O SER A 49 10.066 -10.424 0.407 1.00 2.33 O ATOM 729 CB SER A 49 8.410 -9.698 2.605 1.00 3.03 C ATOM 730 OG SER A 49 8.370 -8.337 2.202 1.00 3.81 O ATOM 0 H SER A 49 11.116 -8.582 2.240 1.00 1.59 H new ATOM 0 HA SER A 49 9.905 -10.855 3.622 1.00 2.11 H new ATOM 0 HB2 SER A 49 7.911 -10.318 1.860 1.00 3.03 H new ATOM 0 HB3 SER A 49 7.865 -9.822 3.541 1.00 3.03 H new ATOM 0 HG SER A 49 7.438 -8.056 2.092 1.00 3.81 H new ATOM 736 N GLU A 50 11.005 -12.004 1.706 1.00 1.92 N ATOM 737 CA GLU A 50 11.510 -12.783 0.582 1.00 2.27 C ATOM 738 C GLU A 50 12.398 -11.920 -0.303 1.00 2.09 C ATOM 739 O GLU A 50 12.609 -10.739 -0.025 1.00 2.74 O ATOM 740 CB GLU A 50 10.345 -13.334 -0.235 1.00 3.06 C ATOM 741 CG GLU A 50 9.820 -14.644 0.346 1.00 3.83 C ATOM 742 CD GLU A 50 8.525 -14.403 1.111 1.00 4.43 C ATOM 743 OE1 GLU A 50 8.492 -13.477 1.948 1.00 4.75 O ATOM 744 OE2 GLU A 50 7.548 -15.142 0.873 1.00 4.97 O ATOM 0 H GLU A 50 11.223 -12.395 2.622 1.00 1.92 H new ATOM 0 HA GLU A 50 12.100 -13.613 0.970 1.00 2.27 H new ATOM 0 HB2 GLU A 50 9.540 -12.599 -0.263 1.00 3.06 H new ATOM 0 HB3 GLU A 50 10.666 -13.495 -1.264 1.00 3.06 H new ATOM 0 HG2 GLU A 50 9.648 -15.362 -0.456 1.00 3.83 H new ATOM 0 HG3 GLU A 50 10.566 -15.080 1.010 1.00 3.83 H new ATOM 751 N LYS A 51 12.918 -12.515 -1.372 1.00 1.76 N ATOM 752 CA LYS A 51 13.787 -11.798 -2.300 1.00 1.77 C ATOM 753 C LYS A 51 13.136 -10.492 -2.742 1.00 1.55 C ATOM 754 O LYS A 51 13.686 -9.412 -2.530 1.00 2.20 O ATOM 755 CB LYS A 51 14.080 -12.671 -3.516 1.00 2.14 C ATOM 756 CG LYS A 51 14.737 -13.989 -3.114 1.00 2.60 C ATOM 757 CD LYS A 51 14.047 -15.182 -3.768 1.00 3.36 C ATOM 758 CE LYS A 51 14.403 -15.294 -5.246 1.00 4.12 C ATOM 759 NZ LYS A 51 14.627 -16.712 -5.643 1.00 4.81 N ATOM 0 H LYS A 51 12.753 -13.491 -1.617 1.00 1.76 H new ATOM 0 HA LYS A 51 14.722 -11.565 -1.791 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.152 -12.874 -4.051 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.733 -12.132 -4.203 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.789 -13.974 -3.400 1.00 2.60 H new ATOM 0 HG3 LYS A 51 14.703 -14.098 -2.030 1.00 2.60 H new ATOM 0 HD2 LYS A 51 14.336 -16.098 -3.253 1.00 3.36 H new ATOM 0 HD3 LYS A 51 12.967 -15.083 -3.660 1.00 3.36 H new ATOM 0 HE2 LYS A 51 13.601 -14.868 -5.849 1.00 4.12 H new ATOM 0 HE3 LYS A 51 15.301 -14.711 -5.451 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 14.867 -16.756 -6.654 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 15.408 -17.110 -5.084 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 13.762 -17.262 -5.469 1.00 4.81 H new ATOM 773 N SER A 52 11.962 -10.599 -3.355 1.00 1.19 N ATOM 774 CA SER A 52 11.233 -9.425 -3.825 1.00 1.04 C ATOM 775 C SER A 52 10.231 -8.965 -2.773 1.00 0.92 C ATOM 776 O SER A 52 9.747 -9.767 -1.973 1.00 1.19 O ATOM 777 CB SER A 52 10.506 -9.749 -5.127 1.00 1.25 C ATOM 778 OG SER A 52 11.413 -10.253 -6.093 1.00 2.03 O ATOM 0 H SER A 52 11.494 -11.487 -3.538 1.00 1.19 H new ATOM 0 HA SER A 52 11.947 -8.621 -4.004 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.722 -10.482 -4.939 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.019 -8.853 -5.511 1.00 1.25 H new ATOM 0 HG SER A 52 12.063 -9.558 -6.325 1.00 2.03 H new ATOM 784 N ASN A 53 9.922 -7.672 -2.778 1.00 0.68 N ATOM 785 CA ASN A 53 8.977 -7.109 -1.825 1.00 0.61 C ATOM 786 C ASN A 53 7.559 -7.186 -2.369 1.00 0.59 C ATOM 787 O ASN A 53 7.339 -7.089 -3.576 1.00 0.99 O ATOM 788 CB ASN A 53 9.338 -5.658 -1.523 1.00 0.60 C ATOM 789 CG ASN A 53 10.776 -5.561 -1.033 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.146 -6.181 -0.037 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.587 -4.780 -1.735 1.00 1.28 N ATOM 0 H ASN A 53 10.314 -6.995 -3.433 1.00 0.68 H new ATOM 0 HA ASN A 53 9.030 -7.690 -0.904 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.210 -5.051 -2.419 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.662 -5.258 -0.768 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.562 -4.675 -1.455 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.235 -4.285 -2.555 1.00 1.28 H new ATOM 798 N LEU A 54 6.602 -7.360 -1.469 1.00 0.55 N ATOM 799 CA LEU A 54 5.197 -7.451 -1.844 1.00 0.51 C ATOM 800 C LEU A 54 4.333 -6.696 -0.842 1.00 0.44 C ATOM 801 O LEU A 54 3.922 -7.251 0.177 1.00 0.57 O ATOM 802 CB LEU A 54 4.765 -8.914 -1.904 1.00 0.65 C ATOM 803 CG LEU A 54 4.583 -9.389 -3.343 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.768 -10.247 -3.782 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.274 -10.158 -3.496 1.00 1.49 C ATOM 0 H LEU A 54 6.774 -7.442 -0.467 1.00 0.55 H new ATOM 0 HA LEU A 54 5.069 -7.001 -2.828 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.511 -9.535 -1.407 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.830 -9.040 -1.358 1.00 0.65 H new ATOM 0 HG LEU A 54 4.540 -8.512 -3.988 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.618 -10.575 -4.811 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.685 -9.661 -3.718 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.848 -11.118 -3.131 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.164 -10.487 -4.529 1.00 1.49 H new ATOM 0 HD22 LEU A 54 3.283 -11.026 -2.837 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.438 -9.510 -3.231 1.00 1.49 H new ATOM 817 N ILE A 55 4.061 -5.428 -1.134 1.00 0.31 N ATOM 818 CA ILE A 55 3.245 -4.601 -0.252 1.00 0.26 C ATOM 819 C ILE A 55 1.826 -5.145 -0.182 1.00 0.27 C ATOM 820 O ILE A 55 1.312 -5.691 -1.159 1.00 0.34 O ATOM 821 CB ILE A 55 3.223 -3.158 -0.747 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.644 -2.658 -1.018 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.517 -2.255 0.262 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.664 -1.176 -1.387 1.00 0.35 C ATOM 0 H ILE A 55 4.393 -4.952 -1.973 1.00 0.31 H new ATOM 0 HA ILE A 55 3.683 -4.625 0.746 1.00 0.26 H new ATOM 0 HB ILE A 55 2.666 -3.126 -1.683 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.261 -2.821 -0.134 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.086 -3.240 -1.827 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.511 -1.230 -0.109 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.491 -2.596 0.400 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.044 -2.293 1.215 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.691 -0.861 -1.571 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.069 -1.017 -2.286 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.247 -0.591 -0.567 1.00 0.35 H new ATOM 836 N ARG A 56 1.195 -4.998 0.978 1.00 0.29 N ATOM 837 CA ARG A 56 -0.167 -5.482 1.172 1.00 0.32 C ATOM 838 C ARG A 56 -1.116 -4.328 1.465 1.00 0.29 C ATOM 839 O ARG A 56 -0.989 -3.649 2.484 1.00 0.42 O ATOM 840 CB ARG A 56 -0.205 -6.490 2.317 1.00 0.42 C ATOM 841 CG ARG A 56 0.640 -7.723 2.007 1.00 0.55 C ATOM 842 CD ARG A 56 1.815 -7.856 2.971 1.00 0.84 C ATOM 843 NE ARG A 56 1.400 -8.545 4.187 1.00 1.44 N ATOM 844 CZ ARG A 56 1.293 -9.869 4.238 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.216 -10.634 3.670 1.00 2.19 N ATOM 846 NH2 ARG A 56 0.264 -10.429 4.860 1.00 2.33 N ATOM 0 H ARG A 56 1.604 -4.548 1.797 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.491 -5.969 0.253 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.159 -6.019 3.230 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.236 -6.792 2.503 1.00 0.42 H new ATOM 0 HG2 ARG A 56 0.017 -8.616 2.066 1.00 0.55 H new ATOM 0 HG3 ARG A 56 1.013 -7.662 0.985 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.626 -8.406 2.493 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.203 -6.868 3.220 1.00 0.84 H new ATOM 0 HE ARG A 56 1.186 -7.997 5.020 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.010 -10.206 3.193 1.00 2.19 H new ATOM 0 HH12 ARG A 56 2.132 -11.650 3.710 1.00 2.19 H new ATOM 0 HH21 ARG A 56 -0.446 -9.844 5.300 1.00 2.33 H new ATOM 0 HH22 ARG A 56 0.183 -11.445 4.899 1.00 2.33 H new ATOM 860 N ILE A 57 -2.072 -4.115 0.567 1.00 0.24 N ATOM 861 CA ILE A 57 -3.052 -3.045 0.724 1.00 0.24 C ATOM 862 C ILE A 57 -4.432 -3.637 0.981 1.00 0.26 C ATOM 863 O ILE A 57 -4.771 -4.690 0.439 1.00 0.40 O ATOM 864 CB ILE A 57 -3.096 -2.170 -0.529 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.700 -1.962 -1.107 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.749 -0.826 -0.226 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.240 -3.176 -1.906 1.00 1.32 C ATOM 0 H ILE A 57 -2.190 -4.671 -0.280 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.757 -2.429 1.574 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.698 -2.690 -1.275 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.698 -1.081 -1.749 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -0.995 -1.769 -0.298 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.770 -0.219 -1.131 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.768 -0.988 0.126 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.177 -0.309 0.544 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.242 -2.993 -2.303 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.218 -4.051 -1.257 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.931 -3.353 -2.730 1.00 1.32 H new ATOM 879 N GLU A 58 -5.225 -2.964 1.809 1.00 0.23 N ATOM 880 CA GLU A 58 -6.566 -3.443 2.125 1.00 0.25 C ATOM 881 C GLU A 58 -7.446 -2.303 2.601 1.00 0.24 C ATOM 882 O GLU A 58 -7.026 -1.464 3.395 1.00 0.26 O ATOM 883 CB GLU A 58 -6.498 -4.524 3.196 1.00 0.32 C ATOM 884 CG GLU A 58 -7.810 -5.297 3.302 1.00 0.37 C ATOM 885 CD GLU A 58 -7.667 -6.445 4.293 1.00 0.82 C ATOM 886 OE1 GLU A 58 -6.836 -6.334 5.218 1.00 1.56 O ATOM 887 OE2 GLU A 58 -8.388 -7.454 4.141 1.00 1.47 O ATOM 0 H GLU A 58 -4.965 -2.092 2.270 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.001 -3.863 1.218 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.687 -5.214 2.965 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.265 -4.069 4.159 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.609 -4.629 3.622 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.092 -5.685 2.323 1.00 0.37 H new ATOM 894 N GLY A 59 -8.670 -2.286 2.103 1.00 0.25 N ATOM 895 CA GLY A 59 -9.637 -1.258 2.455 1.00 0.27 C ATOM 896 C GLY A 59 -11.043 -1.823 2.379 1.00 0.39 C ATOM 897 O GLY A 59 -11.265 -2.992 2.698 1.00 0.59 O ATOM 0 H GLY A 59 -9.022 -2.982 1.445 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.438 -0.889 3.461 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.540 -0.409 1.779 1.00 0.27 H new ATOM 901 N ASP A 60 -11.999 -1.003 1.961 1.00 0.53 N ATOM 902 CA ASP A 60 -13.370 -1.462 1.863 1.00 0.70 C ATOM 903 C ASP A 60 -14.008 -1.103 0.525 1.00 0.59 C ATOM 904 O ASP A 60 -14.491 -1.984 -0.185 1.00 1.04 O ATOM 905 CB ASP A 60 -14.193 -0.886 3.002 1.00 1.22 C ATOM 906 CG ASP A 60 -15.029 -1.977 3.660 1.00 1.93 C ATOM 907 OD1 ASP A 60 -16.093 -2.327 3.107 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.619 -2.479 4.727 1.00 2.66 O ATOM 0 H ASP A 60 -11.850 -0.031 1.689 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.354 -2.550 1.933 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.534 -0.429 3.740 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -14.845 -0.097 2.625 1.00 1.22 H new ATOM 913 N PRO A 61 -14.042 0.188 0.157 1.00 0.72 N ATOM 914 CA PRO A 61 -14.646 0.623 -1.093 1.00 1.14 C ATOM 915 C PRO A 61 -13.628 0.699 -2.220 1.00 0.88 C ATOM 916 O PRO A 61 -12.507 0.206 -2.091 1.00 1.22 O ATOM 917 CB PRO A 61 -15.194 2.001 -0.734 1.00 1.82 C ATOM 918 CG PRO A 61 -14.360 2.489 0.418 1.00 1.82 C ATOM 919 CD PRO A 61 -13.519 1.336 0.908 1.00 1.17 C ATOM 0 HA PRO A 61 -15.407 -0.063 -1.464 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.125 2.682 -1.582 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.247 1.943 -0.457 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.725 3.317 0.104 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.998 2.862 1.219 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.460 1.498 0.708 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.622 1.193 1.984 1.00 1.17 H new ATOM 927 N GLN A 62 -14.019 1.329 -3.321 1.00 0.64 N ATOM 928 CA GLN A 62 -13.134 1.478 -4.467 1.00 0.47 C ATOM 929 C GLN A 62 -11.800 2.078 -4.032 1.00 0.41 C ATOM 930 O GLN A 62 -10.782 1.901 -4.698 1.00 0.47 O ATOM 931 CB GLN A 62 -13.783 2.374 -5.519 1.00 0.69 C ATOM 932 CG GLN A 62 -14.658 1.573 -6.478 1.00 0.85 C ATOM 933 CD GLN A 62 -15.571 2.507 -7.262 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.784 3.656 -6.873 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.114 2.012 -8.369 1.00 1.73 N ATOM 0 H GLN A 62 -14.943 1.744 -3.443 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.956 0.493 -4.897 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.386 3.136 -5.026 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.008 2.895 -6.082 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.031 1.004 -7.165 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.256 0.852 -5.920 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -15.909 1.054 -8.653 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.736 2.590 -8.935 1.00 1.73 H new ATOM 944 N GLY A 63 -11.818 2.795 -2.913 1.00 0.37 N ATOM 945 CA GLY A 63 -10.621 3.435 -2.384 1.00 0.34 C ATOM 946 C GLY A 63 -9.441 2.471 -2.306 1.00 0.27 C ATOM 947 O GLY A 63 -8.315 2.840 -2.640 1.00 0.29 O ATOM 0 H GLY A 63 -12.656 2.947 -2.352 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.355 4.283 -3.015 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.831 3.831 -1.390 1.00 0.34 H new ATOM 951 N VAL A 64 -9.685 1.241 -1.855 1.00 0.24 N ATOM 952 CA VAL A 64 -8.608 0.263 -1.732 1.00 0.21 C ATOM 953 C VAL A 64 -8.014 -0.076 -3.098 1.00 0.24 C ATOM 954 O VAL A 64 -6.798 -0.219 -3.232 1.00 0.28 O ATOM 955 CB VAL A 64 -9.084 -1.012 -1.019 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.921 -1.908 -1.929 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.876 -1.780 -0.495 1.00 0.26 C ATOM 0 H VAL A 64 -10.605 0.903 -1.573 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.827 0.716 -1.122 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.725 -0.710 -0.191 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.233 -2.796 -1.379 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.802 -1.362 -2.267 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.326 -2.207 -2.792 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.212 -2.685 0.011 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.227 -2.050 -1.328 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.324 -1.155 0.207 1.00 0.26 H new ATOM 967 N GLN A 65 -8.867 -0.205 -4.109 1.00 0.25 N ATOM 968 CA GLN A 65 -8.404 -0.528 -5.456 1.00 0.30 C ATOM 969 C GLN A 65 -7.839 0.709 -6.141 1.00 0.30 C ATOM 970 O GLN A 65 -6.982 0.608 -7.018 1.00 0.34 O ATOM 971 CB GLN A 65 -9.547 -1.109 -6.285 1.00 0.37 C ATOM 972 CG GLN A 65 -10.637 -0.076 -6.551 1.00 0.42 C ATOM 973 CD GLN A 65 -11.490 -0.503 -7.738 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.983 -1.630 -7.788 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.665 0.398 -8.697 1.00 0.82 N ATOM 0 H GLN A 65 -9.877 -0.092 -4.023 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.612 -1.273 -5.376 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.157 -1.478 -7.234 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.976 -1.964 -5.763 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.263 0.038 -5.666 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.186 0.896 -6.749 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.238 1.320 -8.614 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.227 0.168 -9.517 1.00 0.82 H new ATOM 984 N GLN A 66 -8.321 1.878 -5.732 1.00 0.29 N ATOM 985 CA GLN A 66 -7.862 3.137 -6.306 1.00 0.31 C ATOM 986 C GLN A 66 -6.455 3.457 -5.818 1.00 0.29 C ATOM 987 O GLN A 66 -5.566 3.761 -6.614 1.00 0.36 O ATOM 988 CB GLN A 66 -8.815 4.267 -5.922 1.00 0.35 C ATOM 989 CG GLN A 66 -9.449 4.909 -7.154 1.00 0.79 C ATOM 990 CD GLN A 66 -10.967 4.898 -7.036 1.00 1.10 C ATOM 991 OE1 GLN A 66 -11.515 4.683 -5.955 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.647 5.134 -8.151 1.00 1.31 N ATOM 0 H GLN A 66 -9.029 1.979 -5.005 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.845 3.040 -7.392 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.597 3.879 -5.270 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.273 5.024 -5.354 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.094 5.934 -7.262 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -9.144 4.370 -8.051 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.150 5.307 -9.025 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.667 5.142 -8.134 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.258 3.381 -4.506 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.958 3.658 -3.909 1.00 0.27 C ATOM 1003 C ALA A 67 -3.956 2.580 -4.300 1.00 0.26 C ATOM 1004 O ALA A 67 -2.773 2.858 -4.495 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.084 3.726 -2.390 1.00 0.29 C ATOM 0 H ALA A 67 -6.984 3.129 -3.835 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.601 4.619 -4.280 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.107 3.933 -1.953 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.779 4.520 -2.118 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.455 2.773 -2.013 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.439 1.346 -4.419 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.587 0.224 -4.793 1.00 0.28 C ATOM 1013 C LYS A 68 -2.994 0.448 -6.177 1.00 0.31 C ATOM 1014 O LYS A 68 -1.776 0.398 -6.358 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.394 -1.073 -4.780 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.515 -2.284 -5.085 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.169 -3.211 -6.106 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.166 -4.202 -6.688 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.806 -5.087 -7.702 1.00 0.88 N ATOM 0 H LYS A 68 -5.416 1.099 -4.262 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.775 0.148 -4.070 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.864 -1.200 -3.805 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.196 -1.011 -5.515 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.550 -1.947 -5.464 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.321 -2.835 -4.164 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.986 -3.755 -5.633 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.604 -2.618 -6.910 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.339 -3.659 -7.146 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.744 -4.809 -5.887 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.099 -5.750 -8.080 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.579 -5.622 -7.257 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.187 -4.508 -8.477 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.860 0.702 -7.152 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.426 0.941 -8.520 1.00 0.43 C ATOM 1035 C ARG A 69 -2.608 2.222 -8.594 1.00 0.42 C ATOM 1036 O ARG A 69 -1.556 2.263 -9.231 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.642 1.039 -9.437 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.240 1.378 -10.868 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.435 1.850 -11.689 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.342 0.739 -11.953 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.348 0.847 -12.814 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.897 2.030 -13.049 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -7.807 -0.227 -13.440 1.00 2.98 N ATOM 0 H ARG A 69 -4.870 0.747 -7.018 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.801 0.110 -8.846 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.184 0.094 -9.425 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.323 1.802 -9.059 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.475 2.155 -10.858 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.797 0.501 -11.340 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.963 2.639 -11.154 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.091 2.278 -12.630 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.200 -0.145 -11.464 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.547 2.859 -12.569 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -8.669 2.112 -13.710 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -7.388 -1.140 -13.261 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -8.579 -0.141 -14.101 1.00 2.98 H new ATOM 1057 N GLU A 70 -3.094 3.267 -7.932 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.404 4.549 -7.917 1.00 0.43 C ATOM 1059 C GLU A 70 -0.968 4.366 -7.450 1.00 0.44 C ATOM 1060 O GLU A 70 -0.066 5.084 -7.882 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.131 5.523 -6.995 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.453 6.890 -6.973 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.029 7.787 -8.060 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.981 7.356 -8.746 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.530 8.919 -8.224 1.00 1.38 O ATOM 0 H GLU A 70 -3.964 3.250 -7.399 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.397 4.956 -8.928 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.164 5.634 -7.324 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.161 5.115 -5.985 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.592 7.356 -5.997 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.379 6.773 -7.121 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.760 3.395 -6.566 1.00 0.40 N ATOM 1073 CA LEU A 71 0.567 3.107 -6.039 1.00 0.47 C ATOM 1074 C LEU A 71 1.434 2.462 -7.111 1.00 0.52 C ATOM 1075 O LEU A 71 2.598 2.821 -7.284 1.00 0.60 O ATOM 1076 CB LEU A 71 0.464 2.171 -4.838 1.00 0.51 C ATOM 1077 CG LEU A 71 0.025 2.913 -3.578 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.618 1.949 -2.585 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.207 3.635 -2.939 1.00 1.15 C ATOM 0 H LEU A 71 -1.497 2.793 -6.199 1.00 0.40 H new ATOM 0 HA LEU A 71 1.024 4.046 -5.727 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.247 1.375 -5.057 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.430 1.697 -4.663 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.717 3.659 -3.861 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.924 2.496 -1.693 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.491 1.483 -3.043 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.101 1.178 -2.308 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.873 4.157 -2.043 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.975 2.909 -2.671 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.619 4.355 -3.646 1.00 1.15 H new ATOM 1091 N LEU A 72 0.861 1.505 -7.828 1.00 0.52 N ATOM 1092 CA LEU A 72 1.580 0.804 -8.885 1.00 0.63 C ATOM 1093 C LEU A 72 1.868 1.729 -10.067 1.00 0.67 C ATOM 1094 O LEU A 72 2.677 1.398 -10.934 1.00 0.83 O ATOM 1095 CB LEU A 72 0.766 -0.396 -9.361 1.00 0.66 C ATOM 1096 CG LEU A 72 0.653 -1.469 -8.281 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.701 -2.168 -8.358 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.789 -2.481 -8.402 1.00 1.04 C ATOM 0 H LEU A 72 -0.102 1.195 -7.697 1.00 0.52 H new ATOM 0 HA LEU A 72 2.531 0.464 -8.476 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.231 -0.066 -9.652 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.232 -0.822 -10.249 1.00 0.66 H new ATOM 0 HG LEU A 72 0.733 -0.983 -7.309 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.762 -2.929 -7.580 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.497 -1.437 -8.214 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.813 -2.638 -9.335 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.688 -3.236 -7.622 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.746 -2.961 -9.380 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.745 -1.970 -8.290 1.00 1.04 H new ATOM 1110 N GLU A 73 1.202 2.881 -10.108 1.00 0.64 N ATOM 1111 CA GLU A 73 1.391 3.832 -11.199 1.00 0.74 C ATOM 1112 C GLU A 73 2.217 5.033 -10.749 1.00 0.71 C ATOM 1113 O GLU A 73 2.959 5.616 -11.542 1.00 0.88 O ATOM 1114 CB GLU A 73 0.034 4.304 -11.714 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.861 3.129 -12.096 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.460 3.349 -13.478 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -2.293 4.268 -13.626 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.098 2.601 -14.410 1.00 2.05 O ATOM 0 H GLU A 73 0.529 3.177 -9.401 1.00 0.64 H new ATOM 0 HA GLU A 73 1.932 3.327 -11.999 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.458 4.903 -10.948 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.177 4.950 -12.580 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -0.283 2.205 -12.085 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.658 3.016 -11.361 1.00 1.00 H new ATOM 1125 N LEU A 74 2.085 5.404 -9.480 1.00 0.64 N ATOM 1126 CA LEU A 74 2.821 6.543 -8.939 1.00 0.71 C ATOM 1127 C LEU A 74 3.565 6.148 -7.670 1.00 0.82 C ATOM 1128 O LEU A 74 4.737 6.481 -7.496 1.00 1.13 O ATOM 1129 CB LEU A 74 1.860 7.691 -8.638 1.00 0.85 C ATOM 1130 CG LEU A 74 1.216 8.237 -9.910 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.186 8.764 -9.620 1.00 1.19 C ATOM 1132 CD2 LEU A 74 2.084 9.329 -10.530 1.00 1.32 C ATOM 0 H LEU A 74 1.478 4.935 -8.808 1.00 0.64 H new ATOM 0 HA LEU A 74 3.548 6.867 -9.683 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.083 7.346 -7.956 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.397 8.492 -8.130 1.00 0.85 H new ATOM 0 HG LEU A 74 1.133 7.420 -10.627 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.628 9.149 -10.539 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.805 7.956 -9.231 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.128 9.565 -8.883 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.606 9.704 -11.435 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.204 10.146 -9.818 1.00 1.32 H new ATOM 0 HD23 LEU A 74 3.062 8.918 -10.780 1.00 1.32 H new ATOM 1144 N ALA A 75 2.877 5.435 -6.784 1.00 0.78 N ATOM 1145 CA ALA A 75 3.474 4.993 -5.529 1.00 0.99 C ATOM 1146 C ALA A 75 4.098 6.170 -4.791 1.00 1.70 C ATOM 1147 O ALA A 75 5.089 6.012 -4.078 1.00 2.16 O ATOM 1148 CB ALA A 75 4.531 3.930 -5.807 1.00 1.14 C ATOM 0 H ALA A 75 1.906 5.151 -6.912 1.00 0.78 H new ATOM 0 HA ALA A 75 2.693 4.566 -4.900 1.00 0.99 H new ATOM 0 HB1 ALA A 75 4.974 3.603 -4.866 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.068 3.078 -6.306 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.307 4.348 -6.448 1.00 1.14 H new