USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 790 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 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 60:sc= 0.301 USER MOD Single : A 3 GLN : amide:sc= -3.84 X(o=-3.8,f=-3.8) USER MOD Single : A 5 SER OG : rot -47:sc= 0.657 USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.025 (180deg=-0.169) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.0325 (180deg=-0.341) USER MOD Single : A 12 THR OG1 : rot 69:sc= 1.05 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.77! X(o=-2.8!,f=-2.9) USER MOD Single : A 16 GLN : amide:sc= -1.66 X(o=-1.7,f=-2.1) USER MOD Single : A 19 ASN : amide:sc= -0.65 K(o=-0.65,f=-2.8!) USER MOD Single : A 22 SER OG : rot -157:sc= -5.54! USER MOD Single : A 31 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 38 ASN : amide:sc= -1.37 K(o=-1.4,f=-5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 47 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -123:sc= -1.01 (180deg=-2.64!) USER MOD Single : A 51 GLN : amide:sc= -2.44 K(o=-2.4,f=-4.8!) USER MOD Single : A 54 THR OG1 : rot -80:sc= 1.11 USER MOD Single : A 55 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.38) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -11.6! C(o=-12!,f=-18!) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.371 F(o=-2.8!,f=0.37) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= -0.113 (180deg=-0.492) USER MOD Single : A 86 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.042) USER MOD Single : A 87 ASN : amide:sc= -1.45 K(o=-1.5,f=-4.4!) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 0 2.535 -2.149 -2.076 1.00 0.00 N ATOM 9 CA SER A 0 2.097 -2.763 -3.324 1.00 0.00 C ATOM 10 C SER A 0 3.046 -3.883 -3.740 1.00 0.00 C ATOM 11 O SER A 0 3.530 -3.913 -4.872 1.00 0.00 O ATOM 12 CB SER A 0 2.013 -1.712 -4.432 1.00 0.00 C ATOM 13 OG SER A 0 3.295 -1.193 -4.741 1.00 0.00 O ATOM 0 H1 SER A 0 1.875 -1.390 -1.812 1.00 0.00 H new ATOM 0 H2 SER A 0 2.555 -2.867 -1.324 1.00 0.00 H new ATOM 0 H3 SER A 0 3.488 -1.751 -2.200 1.00 0.00 H new ATOM 0 HA SER A 0 1.107 -3.190 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.572 -2.155 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.355 -0.901 -4.119 1.00 0.00 H new ATOM 0 HG SER A 0 3.880 -1.921 -5.038 1.00 0.00 H new ATOM 19 N ALA A 1 3.308 -4.802 -2.817 1.00 0.00 N ATOM 20 CA ALA A 1 4.198 -5.925 -3.088 1.00 0.00 C ATOM 21 C ALA A 1 3.413 -7.145 -3.559 1.00 0.00 C ATOM 22 O ALA A 1 3.680 -7.690 -4.630 1.00 0.00 O ATOM 23 CB ALA A 1 5.011 -6.265 -1.848 1.00 0.00 C ATOM 0 H ALA A 1 2.917 -4.791 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 1 4.880 -5.633 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.671 -7.105 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.608 -5.401 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.338 -6.533 -1.034 1.00 0.00 H new ATOM 29 N ARG A 2 2.446 -7.569 -2.752 1.00 0.00 N ATOM 30 CA ARG A 2 1.625 -8.726 -3.086 1.00 0.00 C ATOM 31 C ARG A 2 0.791 -8.458 -4.336 1.00 0.00 C ATOM 32 O ARG A 2 0.752 -9.276 -5.254 1.00 0.00 O ATOM 33 CB ARG A 2 0.708 -9.082 -1.915 1.00 0.00 C ATOM 34 CG ARG A 2 -0.293 -10.180 -2.237 1.00 0.00 C ATOM 35 CD ARG A 2 0.402 -11.507 -2.502 1.00 0.00 C ATOM 36 NE ARG A 2 -0.416 -12.645 -2.091 1.00 0.00 N ATOM 37 CZ ARG A 2 -0.668 -12.948 -0.822 1.00 0.00 C ATOM 38 NH1 ARG A 2 -0.169 -12.201 0.153 1.00 0.00 N ATOM 39 NH2 ARG A 2 -1.421 -14.000 -0.527 1.00 0.00 N ATOM 0 H ARG A 2 2.212 -7.128 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 2 2.290 -9.566 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.319 -9.396 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.167 -8.189 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.991 -10.293 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.880 -9.894 -3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.631 -11.590 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.352 -11.532 -1.968 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.815 -13.239 -2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.410 -11.391 -0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.364 -12.436 1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.807 -14.577 -1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.614 -14.232 0.447 1.00 0.00 H new ATOM 53 N GLN A 3 0.125 -7.308 -4.361 1.00 0.00 N ATOM 54 CA GLN A 3 -0.709 -6.934 -5.497 1.00 0.00 C ATOM 55 C GLN A 3 0.073 -7.031 -6.802 1.00 0.00 C ATOM 56 O GLN A 3 -0.477 -7.392 -7.843 1.00 0.00 O ATOM 57 CB GLN A 3 -1.247 -5.513 -5.316 1.00 0.00 C ATOM 58 CG GLN A 3 -0.170 -4.492 -4.988 1.00 0.00 C ATOM 59 CD GLN A 3 -0.722 -3.088 -4.841 1.00 0.00 C ATOM 60 OE1 GLN A 3 -1.097 -2.667 -3.746 1.00 0.00 O ATOM 61 NE2 GLN A 3 -0.774 -2.353 -5.946 1.00 0.00 N ATOM 0 H GLN A 3 0.147 -6.620 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.547 -7.629 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.759 -5.208 -6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.990 -5.514 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.329 -4.781 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.585 -4.501 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.453 -2.742 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.135 -1.400 -5.908 1.00 0.00 H new ATOM 70 N LEU A 4 1.360 -6.707 -6.740 1.00 0.00 N ATOM 71 CA LEU A 4 2.220 -6.757 -7.918 1.00 0.00 C ATOM 72 C LEU A 4 2.915 -8.110 -8.027 1.00 0.00 C ATOM 73 O LEU A 4 3.469 -8.452 -9.072 1.00 0.00 O ATOM 74 CB LEU A 4 3.261 -5.639 -7.862 1.00 0.00 C ATOM 75 CG LEU A 4 2.899 -4.346 -8.595 1.00 0.00 C ATOM 76 CD1 LEU A 4 1.577 -3.796 -8.084 1.00 0.00 C ATOM 77 CD2 LEU A 4 4.006 -3.314 -8.436 1.00 0.00 C ATOM 0 H LEU A 4 1.831 -6.407 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 4 1.595 -6.618 -8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.451 -5.399 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.195 -6.019 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 4 2.790 -4.571 -9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.335 -2.876 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.789 -4.530 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.658 -3.587 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.731 -2.401 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.148 -3.093 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.933 -3.708 -8.852 1.00 0.00 H new ATOM 89 N SER A 5 2.880 -8.877 -6.942 1.00 0.00 N ATOM 90 CA SER A 5 3.508 -10.193 -6.915 1.00 0.00 C ATOM 91 C SER A 5 2.817 -11.145 -7.887 1.00 0.00 C ATOM 92 O SER A 5 3.347 -12.206 -8.217 1.00 0.00 O ATOM 93 CB SER A 5 3.467 -10.772 -5.500 1.00 0.00 C ATOM 94 OG SER A 5 2.219 -11.390 -5.238 1.00 0.00 O ATOM 0 H SER A 5 2.423 -8.610 -6.070 1.00 0.00 H new ATOM 0 HA SER A 5 4.547 -10.079 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.269 -11.500 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.643 -9.979 -4.774 1.00 0.00 H new ATOM 0 HG SER A 5 1.494 -10.799 -5.530 1.00 0.00 H new ATOM 100 N LYS A 6 1.631 -10.757 -8.342 1.00 0.00 N ATOM 101 CA LYS A 6 0.866 -11.573 -9.277 1.00 0.00 C ATOM 102 C LYS A 6 1.746 -12.056 -10.425 1.00 0.00 C ATOM 103 O LYS A 6 1.574 -13.168 -10.928 1.00 0.00 O ATOM 104 CB LYS A 6 -0.319 -10.777 -9.830 1.00 0.00 C ATOM 105 CG LYS A 6 -1.129 -11.534 -10.868 1.00 0.00 C ATOM 106 CD LYS A 6 -2.356 -10.748 -11.299 1.00 0.00 C ATOM 107 CE LYS A 6 -3.586 -11.150 -10.499 1.00 0.00 C ATOM 108 NZ LYS A 6 -4.072 -12.507 -10.873 1.00 0.00 N ATOM 0 H LYS A 6 1.178 -9.882 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 6 0.492 -12.443 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.974 -10.496 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.050 -9.852 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.505 -11.742 -11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.437 -12.496 -10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.170 -9.682 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.541 -10.914 -12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.350 -11.129 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.380 -10.422 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.059 -12.619 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.016 -12.624 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.481 -13.227 -10.410 1.00 0.00 H new ATOM 122 N LEU A 7 2.691 -11.216 -10.834 1.00 0.00 N ATOM 123 CA LEU A 7 3.600 -11.559 -11.922 1.00 0.00 C ATOM 124 C LEU A 7 4.888 -12.174 -11.382 1.00 0.00 C ATOM 125 O LEU A 7 5.548 -12.957 -12.064 1.00 0.00 O ATOM 126 CB LEU A 7 3.925 -10.316 -12.752 1.00 0.00 C ATOM 127 CG LEU A 7 4.740 -10.552 -14.024 1.00 0.00 C ATOM 128 CD1 LEU A 7 6.219 -10.677 -13.694 1.00 0.00 C ATOM 129 CD2 LEU A 7 4.247 -11.795 -14.750 1.00 0.00 C ATOM 0 H LEU A 7 2.847 -10.293 -10.429 1.00 0.00 H new ATOM 0 HA LEU A 7 3.106 -12.294 -12.557 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.988 -9.834 -13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.470 -9.614 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 7 4.607 -9.694 -14.683 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.784 -10.845 -14.611 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.564 -9.759 -13.218 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.371 -11.517 -13.016 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.838 -11.948 -15.653 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.350 -12.662 -14.098 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.199 -11.667 -15.020 1.00 0.00 H new ATOM 141 N LYS A 8 5.238 -11.815 -10.151 1.00 0.00 N ATOM 142 CA LYS A 8 6.444 -12.334 -9.517 1.00 0.00 C ATOM 143 C LYS A 8 6.526 -13.850 -9.662 1.00 0.00 C ATOM 144 O LYS A 8 7.533 -14.384 -10.128 1.00 0.00 O ATOM 145 CB LYS A 8 6.471 -11.950 -8.035 1.00 0.00 C ATOM 146 CG LYS A 8 7.782 -12.283 -7.345 1.00 0.00 C ATOM 147 CD LYS A 8 7.624 -12.312 -5.834 1.00 0.00 C ATOM 148 CE LYS A 8 8.358 -13.494 -5.219 1.00 0.00 C ATOM 149 NZ LYS A 8 9.381 -13.057 -4.228 1.00 0.00 N ATOM 0 H LYS A 8 4.703 -11.167 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 8 7.306 -11.892 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.282 -10.881 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.659 -12.463 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.142 -13.251 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.536 -11.545 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.007 -11.384 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.566 -12.367 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.640 -14.154 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.840 -14.072 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.025 -13.848 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.924 -12.261 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.909 -12.757 -3.351 1.00 0.00 H new ATOM 163 N ARG A 9 5.462 -14.537 -9.261 1.00 0.00 N ATOM 164 CA ARG A 9 5.414 -15.991 -9.347 1.00 0.00 C ATOM 165 C ARG A 9 5.743 -16.464 -10.760 1.00 0.00 C ATOM 166 O ARG A 9 6.720 -17.181 -10.975 1.00 0.00 O ATOM 167 CB ARG A 9 4.033 -16.503 -8.935 1.00 0.00 C ATOM 168 CG ARG A 9 3.591 -16.026 -7.561 1.00 0.00 C ATOM 169 CD ARG A 9 4.061 -16.970 -6.466 1.00 0.00 C ATOM 170 NE ARG A 9 3.152 -16.977 -5.323 1.00 0.00 N ATOM 171 CZ ARG A 9 3.207 -17.876 -4.346 1.00 0.00 C ATOM 172 NH1 ARG A 9 4.123 -18.834 -4.373 1.00 0.00 N ATOM 173 NH2 ARG A 9 2.345 -17.816 -3.339 1.00 0.00 N ATOM 0 H ARG A 9 4.621 -14.110 -8.873 1.00 0.00 H new ATOM 0 HA ARG A 9 6.162 -16.394 -8.664 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.300 -16.181 -9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.041 -17.593 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.987 -15.027 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.504 -15.948 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.145 -17.979 -6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.057 -16.675 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 9 2.436 -16.252 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.788 -18.882 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.163 -19.523 -3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.640 -17.080 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.388 -18.506 -2.589 1.00 0.00 H new ATOM 187 N PHE A 10 4.920 -16.057 -11.721 1.00 0.00 N ATOM 188 CA PHE A 10 5.122 -16.439 -13.114 1.00 0.00 C ATOM 189 C PHE A 10 6.565 -16.189 -13.542 1.00 0.00 C ATOM 190 O PHE A 10 7.210 -17.059 -14.130 1.00 0.00 O ATOM 191 CB PHE A 10 4.166 -15.663 -14.022 1.00 0.00 C ATOM 192 CG PHE A 10 4.434 -15.863 -15.486 1.00 0.00 C ATOM 193 CD1 PHE A 10 4.965 -17.057 -15.949 1.00 0.00 C ATOM 194 CD2 PHE A 10 4.156 -14.859 -16.399 1.00 0.00 C ATOM 195 CE1 PHE A 10 5.212 -17.245 -17.296 1.00 0.00 C ATOM 196 CE2 PHE A 10 4.401 -15.042 -17.747 1.00 0.00 C ATOM 197 CZ PHE A 10 4.931 -16.236 -18.196 1.00 0.00 C ATOM 0 H PHE A 10 4.107 -15.463 -11.561 1.00 0.00 H new ATOM 0 HA PHE A 10 4.914 -17.505 -13.207 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.143 -15.968 -13.803 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.239 -14.601 -13.789 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.188 -17.849 -15.250 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.743 -13.923 -16.054 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.624 -18.180 -17.644 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.178 -14.252 -18.449 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.125 -16.380 -19.249 1.00 0.00 H new ATOM 207 N LEU A 11 7.065 -14.995 -13.246 1.00 0.00 N ATOM 208 CA LEU A 11 8.432 -14.628 -13.600 1.00 0.00 C ATOM 209 C LEU A 11 9.434 -15.594 -12.976 1.00 0.00 C ATOM 210 O LEU A 11 10.304 -16.133 -13.662 1.00 0.00 O ATOM 211 CB LEU A 11 8.732 -13.199 -13.144 1.00 0.00 C ATOM 212 CG LEU A 11 9.449 -12.308 -14.159 1.00 0.00 C ATOM 213 CD1 LEU A 11 10.857 -12.820 -14.418 1.00 0.00 C ATOM 214 CD2 LEU A 11 8.659 -12.235 -15.457 1.00 0.00 C ATOM 0 H LEU A 11 6.544 -14.264 -12.762 1.00 0.00 H new ATOM 0 HA LEU A 11 8.528 -14.684 -14.684 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.791 -12.721 -12.871 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.339 -13.247 -12.240 1.00 0.00 H new ATOM 0 HG LEU A 11 9.521 -11.303 -13.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.352 -12.173 -15.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.422 -12.819 -13.486 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.808 -13.835 -14.811 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.184 -11.597 -16.167 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.555 -13.236 -15.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.671 -11.820 -15.259 1.00 0.00 H new ATOM 226 N THR A 12 9.305 -15.812 -11.671 1.00 0.00 N ATOM 227 CA THR A 12 10.198 -16.714 -10.954 1.00 0.00 C ATOM 228 C THR A 12 10.293 -18.065 -11.654 1.00 0.00 C ATOM 229 O THR A 12 11.375 -18.493 -12.056 1.00 0.00 O ATOM 230 CB THR A 12 9.730 -16.932 -9.503 1.00 0.00 C ATOM 231 OG1 THR A 12 9.641 -15.675 -8.823 1.00 0.00 O ATOM 232 CG2 THR A 12 10.687 -17.850 -8.758 1.00 0.00 C ATOM 0 H THR A 12 8.590 -15.376 -11.089 1.00 0.00 H new ATOM 0 HA THR A 12 11.181 -16.243 -10.944 1.00 0.00 H new ATOM 0 HB THR A 12 8.747 -17.402 -9.528 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.899 -15.154 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.336 -17.989 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.731 -18.816 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.681 -17.404 -8.743 1.00 0.00 H new ATOM 240 N THR A 13 9.152 -18.733 -11.798 1.00 0.00 N ATOM 241 CA THR A 13 9.106 -20.036 -12.449 1.00 0.00 C ATOM 242 C THR A 13 9.512 -19.933 -13.915 1.00 0.00 C ATOM 243 O THR A 13 10.084 -20.867 -14.478 1.00 0.00 O ATOM 244 CB THR A 13 7.701 -20.659 -12.360 1.00 0.00 C ATOM 245 OG1 THR A 13 7.676 -21.913 -13.051 1.00 0.00 O ATOM 246 CG2 THR A 13 6.656 -19.726 -12.955 1.00 0.00 C ATOM 0 H THR A 13 8.247 -18.392 -11.472 1.00 0.00 H new ATOM 0 HA THR A 13 9.814 -20.677 -11.923 1.00 0.00 H new ATOM 0 HB THR A 13 7.465 -20.819 -11.308 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.779 -22.303 -12.988 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.671 -20.188 -12.881 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.657 -18.783 -12.408 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.890 -19.538 -14.003 1.00 0.00 H new ATOM 254 N LEU A 14 9.215 -18.792 -14.527 1.00 0.00 N ATOM 255 CA LEU A 14 9.550 -18.566 -15.929 1.00 0.00 C ATOM 256 C LEU A 14 11.060 -18.601 -16.140 1.00 0.00 C ATOM 257 O LEU A 14 11.549 -19.203 -17.096 1.00 0.00 O ATOM 258 CB LEU A 14 8.989 -17.223 -16.398 1.00 0.00 C ATOM 259 CG LEU A 14 9.595 -16.653 -17.681 1.00 0.00 C ATOM 260 CD1 LEU A 14 8.525 -15.977 -18.523 1.00 0.00 C ATOM 261 CD2 LEU A 14 10.715 -15.676 -17.353 1.00 0.00 C ATOM 0 H LEU A 14 8.743 -18.009 -14.075 1.00 0.00 H new ATOM 0 HA LEU A 14 9.101 -19.366 -16.518 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.915 -17.332 -16.545 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.129 -16.495 -15.599 1.00 0.00 H new ATOM 0 HG LEU A 14 10.015 -17.476 -18.258 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.975 -15.578 -19.432 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.757 -16.704 -18.788 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.074 -15.164 -17.954 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.135 -15.280 -18.278 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.319 -14.856 -16.754 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.495 -16.191 -16.792 1.00 0.00 H new ATOM 273 N GLN A 15 11.793 -17.953 -15.240 1.00 0.00 N ATOM 274 CA GLN A 15 13.248 -17.912 -15.327 1.00 0.00 C ATOM 275 C GLN A 15 13.864 -19.189 -14.765 1.00 0.00 C ATOM 276 O GLN A 15 14.936 -19.613 -15.196 1.00 0.00 O ATOM 277 CB GLN A 15 13.791 -16.696 -14.575 1.00 0.00 C ATOM 278 CG GLN A 15 13.494 -16.721 -13.084 1.00 0.00 C ATOM 279 CD GLN A 15 14.257 -15.657 -12.319 1.00 0.00 C ATOM 280 OE1 GLN A 15 15.362 -15.899 -11.832 1.00 0.00 O ATOM 281 NE2 GLN A 15 13.671 -14.470 -12.211 1.00 0.00 N ATOM 0 H GLN A 15 11.403 -17.450 -14.443 1.00 0.00 H new ATOM 0 HA GLN A 15 13.521 -17.832 -16.379 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.870 -16.640 -14.721 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.364 -15.791 -15.007 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.425 -16.579 -12.928 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.747 -17.703 -12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.754 -14.314 -12.630 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.138 -13.715 -11.709 1.00 0.00 H new ATOM 290 N GLN A 16 13.179 -19.796 -13.802 1.00 0.00 N ATOM 291 CA GLN A 16 13.660 -21.025 -13.181 1.00 0.00 C ATOM 292 C GLN A 16 13.519 -22.208 -14.133 1.00 0.00 C ATOM 293 O GLN A 16 14.422 -23.038 -14.246 1.00 0.00 O ATOM 294 CB GLN A 16 12.892 -21.302 -11.888 1.00 0.00 C ATOM 295 CG GLN A 16 12.715 -22.782 -11.590 1.00 0.00 C ATOM 296 CD GLN A 16 14.036 -23.520 -11.495 1.00 0.00 C ATOM 297 OE1 GLN A 16 14.216 -24.576 -12.103 1.00 0.00 O ATOM 298 NE2 GLN A 16 14.970 -22.966 -10.730 1.00 0.00 N ATOM 0 H GLN A 16 12.290 -19.458 -13.435 1.00 0.00 H new ATOM 0 HA GLN A 16 14.717 -20.894 -12.947 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.417 -20.833 -11.056 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.910 -20.833 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.170 -22.897 -10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.105 -23.236 -12.371 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.778 -22.090 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.879 -23.417 -10.628 1.00 0.00 H new ATOM 307 N PHE A 17 12.382 -22.279 -14.816 1.00 0.00 N ATOM 308 CA PHE A 17 12.122 -23.362 -15.758 1.00 0.00 C ATOM 309 C PHE A 17 12.474 -22.940 -17.182 1.00 0.00 C ATOM 310 O PHE A 17 12.469 -23.757 -18.102 1.00 0.00 O ATOM 311 CB PHE A 17 10.653 -23.786 -15.688 1.00 0.00 C ATOM 312 CG PHE A 17 10.449 -25.137 -15.065 1.00 0.00 C ATOM 313 CD1 PHE A 17 10.716 -26.293 -15.781 1.00 0.00 C ATOM 314 CD2 PHE A 17 9.989 -25.251 -13.763 1.00 0.00 C ATOM 315 CE1 PHE A 17 10.529 -27.537 -15.210 1.00 0.00 C ATOM 316 CE2 PHE A 17 9.801 -26.493 -13.187 1.00 0.00 C ATOM 317 CZ PHE A 17 10.070 -27.638 -13.911 1.00 0.00 C ATOM 0 H PHE A 17 11.625 -21.600 -14.735 1.00 0.00 H new ATOM 0 HA PHE A 17 12.751 -24.209 -15.482 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.095 -23.043 -15.117 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.236 -23.792 -16.695 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.074 -26.221 -16.797 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.775 -24.360 -13.192 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.742 -28.430 -15.779 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.444 -26.568 -12.171 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.922 -28.609 -13.463 1.00 0.00 H new ATOM 327 N GLY A 18 12.778 -21.657 -17.355 1.00 0.00 N ATOM 328 CA GLY A 18 13.128 -21.148 -18.668 1.00 0.00 C ATOM 329 C GLY A 18 14.289 -21.898 -19.290 1.00 0.00 C ATOM 330 O GLY A 18 14.455 -21.897 -20.509 1.00 0.00 O ATOM 0 H GLY A 18 12.788 -20.961 -16.609 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.261 -21.218 -19.324 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.383 -20.091 -18.588 1.00 0.00 H new ATOM 334 N ASN A 19 15.096 -22.538 -18.450 1.00 0.00 N ATOM 335 CA ASN A 19 16.250 -23.293 -18.925 1.00 0.00 C ATOM 336 C ASN A 19 15.835 -24.686 -19.390 1.00 0.00 C ATOM 337 O ASN A 19 16.601 -25.384 -20.054 1.00 0.00 O ATOM 338 CB ASN A 19 17.302 -23.405 -17.820 1.00 0.00 C ATOM 339 CG ASN A 19 18.673 -22.947 -18.279 1.00 0.00 C ATOM 340 OD1 ASN A 19 18.809 -21.905 -18.920 1.00 0.00 O ATOM 341 ND2 ASN A 19 19.697 -23.726 -17.952 1.00 0.00 N ATOM 0 H ASN A 19 14.972 -22.549 -17.438 1.00 0.00 H new ATOM 0 HA ASN A 19 16.678 -22.759 -19.773 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.990 -22.808 -16.963 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.362 -24.440 -17.482 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.643 -23.469 -18.233 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.538 -24.581 -17.419 1.00 0.00 H new ATOM 348 N ASP A 20 14.617 -25.082 -19.037 1.00 0.00 N ATOM 349 CA ASP A 20 14.099 -26.391 -19.419 1.00 0.00 C ATOM 350 C ASP A 20 13.405 -26.325 -20.777 1.00 0.00 C ATOM 351 O ASP A 20 13.621 -27.180 -21.636 1.00 0.00 O ATOM 352 CB ASP A 20 13.124 -26.907 -18.359 1.00 0.00 C ATOM 353 CG ASP A 20 12.874 -28.397 -18.479 1.00 0.00 C ATOM 354 OD1 ASP A 20 12.342 -28.826 -19.525 1.00 0.00 O ATOM 355 OD2 ASP A 20 13.208 -29.134 -17.528 1.00 0.00 O ATOM 0 H ASP A 20 13.970 -24.516 -18.487 1.00 0.00 H new ATOM 0 HA ASP A 20 14.940 -27.080 -19.493 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.520 -26.687 -17.368 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.177 -26.374 -18.450 1.00 0.00 H new ATOM 360 N ILE A 21 12.572 -25.307 -20.961 1.00 0.00 N ATOM 361 CA ILE A 21 11.847 -25.131 -22.213 1.00 0.00 C ATOM 362 C ILE A 21 12.791 -25.197 -23.409 1.00 0.00 C ATOM 363 O ILE A 21 12.448 -25.750 -24.453 1.00 0.00 O ATOM 364 CB ILE A 21 11.092 -23.789 -22.242 1.00 0.00 C ATOM 365 CG1 ILE A 21 10.579 -23.498 -23.654 1.00 0.00 C ATOM 366 CG2 ILE A 21 11.994 -22.663 -21.758 1.00 0.00 C ATOM 367 CD1 ILE A 21 9.767 -22.225 -23.752 1.00 0.00 C ATOM 0 H ILE A 21 12.382 -24.592 -20.259 1.00 0.00 H new ATOM 0 HA ILE A 21 11.126 -25.946 -22.278 1.00 0.00 H new ATOM 0 HB ILE A 21 10.236 -23.856 -21.571 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.428 -23.431 -24.334 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.968 -24.336 -23.990 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.446 -21.721 -21.784 1.00 0.00 H new ATOM 0 HG22 ILE A 21 12.315 -22.868 -20.737 1.00 0.00 H new ATOM 0 HG23 ILE A 21 12.868 -22.593 -22.406 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.436 -22.083 -24.781 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.898 -22.297 -23.098 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.381 -21.377 -23.448 1.00 0.00 H new ATOM 379 N SER A 22 13.982 -24.630 -23.247 1.00 0.00 N ATOM 380 CA SER A 22 14.976 -24.622 -24.314 1.00 0.00 C ATOM 381 C SER A 22 16.237 -23.883 -23.876 1.00 0.00 C ATOM 382 O SER A 22 16.233 -23.109 -22.918 1.00 0.00 O ATOM 383 CB SER A 22 14.400 -23.970 -25.572 1.00 0.00 C ATOM 384 OG SER A 22 15.085 -22.769 -25.884 1.00 0.00 O ATOM 0 H SER A 22 14.282 -24.170 -22.387 1.00 0.00 H new ATOM 0 HA SER A 22 15.241 -25.655 -24.538 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.474 -24.663 -26.410 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.341 -23.760 -25.424 1.00 0.00 H new ATOM 0 HG SER A 22 14.508 -22.196 -26.432 1.00 0.00 H new ATOM 390 N PRO A 23 17.343 -24.125 -24.595 1.00 0.00 N ATOM 391 CA PRO A 23 18.633 -23.493 -24.300 1.00 0.00 C ATOM 392 C PRO A 23 18.633 -22.002 -24.621 1.00 0.00 C ATOM 393 O PRO A 23 18.908 -21.172 -23.755 1.00 0.00 O ATOM 394 CB PRO A 23 19.609 -24.237 -25.215 1.00 0.00 C ATOM 395 CG PRO A 23 18.770 -24.735 -26.340 1.00 0.00 C ATOM 396 CD PRO A 23 17.421 -25.036 -25.749 1.00 0.00 C ATOM 0 HA PRO A 23 18.887 -23.557 -23.242 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.398 -23.576 -25.573 1.00 0.00 H new ATOM 0 HB3 PRO A 23 20.095 -25.059 -24.690 1.00 0.00 H new ATOM 0 HG2 PRO A 23 18.692 -23.987 -27.129 1.00 0.00 H new ATOM 0 HG3 PRO A 23 19.208 -25.627 -26.788 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.619 -24.850 -26.463 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.340 -26.079 -25.444 1.00 0.00 H new ATOM 404 N GLU A 24 18.324 -21.670 -25.870 1.00 0.00 N ATOM 405 CA GLU A 24 18.290 -20.278 -26.304 1.00 0.00 C ATOM 406 C GLU A 24 17.420 -19.439 -25.371 1.00 0.00 C ATOM 407 O GLU A 24 17.923 -18.593 -24.631 1.00 0.00 O ATOM 408 CB GLU A 24 17.762 -20.179 -27.737 1.00 0.00 C ATOM 409 CG GLU A 24 16.871 -21.343 -28.138 1.00 0.00 C ATOM 410 CD GLU A 24 16.123 -21.085 -29.432 1.00 0.00 C ATOM 411 OE1 GLU A 24 16.752 -21.164 -30.508 1.00 0.00 O ATOM 412 OE2 GLU A 24 14.908 -20.805 -29.368 1.00 0.00 O ATOM 0 H GLU A 24 18.094 -22.345 -26.599 1.00 0.00 H new ATOM 0 HA GLU A 24 19.308 -19.890 -26.272 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.203 -19.250 -27.846 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.607 -20.125 -28.424 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.479 -22.241 -28.247 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.154 -21.539 -27.341 1.00 0.00 H new ATOM 419 N ILE A 25 16.114 -19.679 -25.414 1.00 0.00 N ATOM 420 CA ILE A 25 15.175 -18.947 -24.574 1.00 0.00 C ATOM 421 C ILE A 25 15.615 -18.965 -23.114 1.00 0.00 C ATOM 422 O ILE A 25 15.400 -18.002 -22.378 1.00 0.00 O ATOM 423 CB ILE A 25 13.754 -19.530 -24.677 1.00 0.00 C ATOM 424 CG1 ILE A 25 12.760 -18.646 -23.921 1.00 0.00 C ATOM 425 CG2 ILE A 25 13.724 -20.952 -24.137 1.00 0.00 C ATOM 426 CD1 ILE A 25 12.977 -17.166 -24.144 1.00 0.00 C ATOM 0 H ILE A 25 15.682 -20.375 -26.022 1.00 0.00 H new ATOM 0 HA ILE A 25 15.164 -17.919 -24.936 1.00 0.00 H new ATOM 0 HB ILE A 25 13.463 -19.555 -25.727 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.747 -18.907 -24.228 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.834 -18.859 -22.855 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.712 -21.350 -24.217 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.406 -21.575 -24.715 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.032 -20.951 -23.091 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.237 -16.600 -23.578 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.977 -16.891 -23.810 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.873 -16.939 -25.205 1.00 0.00 H new ATOM 438 N GLY A 26 16.233 -20.067 -22.701 1.00 0.00 N ATOM 439 CA GLY A 26 16.695 -20.189 -21.331 1.00 0.00 C ATOM 440 C GLY A 26 17.734 -19.145 -20.974 1.00 0.00 C ATOM 441 O GLY A 26 17.478 -18.261 -20.156 1.00 0.00 O ATOM 0 H GLY A 26 16.422 -20.877 -23.291 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.845 -20.097 -20.655 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.116 -21.183 -21.180 1.00 0.00 H new ATOM 445 N GLU A 27 18.909 -19.247 -21.587 1.00 0.00 N ATOM 446 CA GLU A 27 19.990 -18.304 -21.326 1.00 0.00 C ATOM 447 C GLU A 27 19.496 -16.864 -21.440 1.00 0.00 C ATOM 448 O GLU A 27 19.864 -16.005 -20.639 1.00 0.00 O ATOM 449 CB GLU A 27 21.146 -18.536 -22.301 1.00 0.00 C ATOM 450 CG GLU A 27 20.737 -18.447 -23.762 1.00 0.00 C ATOM 451 CD GLU A 27 21.900 -18.676 -24.708 1.00 0.00 C ATOM 452 OE1 GLU A 27 22.172 -19.849 -25.042 1.00 0.00 O ATOM 453 OE2 GLU A 27 22.537 -17.683 -25.115 1.00 0.00 O ATOM 0 H GLU A 27 19.136 -19.972 -22.267 1.00 0.00 H new ATOM 0 HA GLU A 27 20.343 -18.469 -20.308 1.00 0.00 H new ATOM 0 HB2 GLU A 27 21.928 -17.802 -22.106 1.00 0.00 H new ATOM 0 HB3 GLU A 27 21.578 -19.519 -22.112 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.959 -19.184 -23.963 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.304 -17.465 -23.955 1.00 0.00 H new ATOM 460 N ARG A 28 18.661 -16.609 -22.442 1.00 0.00 N ATOM 461 CA ARG A 28 18.118 -15.275 -22.663 1.00 0.00 C ATOM 462 C ARG A 28 17.205 -14.862 -21.512 1.00 0.00 C ATOM 463 O ARG A 28 17.456 -13.866 -20.833 1.00 0.00 O ATOM 464 CB ARG A 28 17.346 -15.227 -23.983 1.00 0.00 C ATOM 465 CG ARG A 28 17.588 -13.959 -24.785 1.00 0.00 C ATOM 466 CD ARG A 28 18.817 -14.086 -25.670 1.00 0.00 C ATOM 467 NE ARG A 28 19.811 -13.056 -25.379 1.00 0.00 N ATOM 468 CZ ARG A 28 20.876 -12.826 -26.138 1.00 0.00 C ATOM 469 NH1 ARG A 28 21.085 -13.550 -27.229 1.00 0.00 N ATOM 470 NH2 ARG A 28 21.735 -11.871 -25.807 1.00 0.00 N ATOM 0 H ARG A 28 18.346 -17.309 -23.114 1.00 0.00 H new ATOM 0 HA ARG A 28 18.952 -14.575 -22.712 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.626 -16.089 -24.589 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.280 -15.317 -23.774 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.715 -13.745 -25.401 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.713 -13.116 -24.106 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.264 -15.070 -25.530 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.519 -14.017 -26.716 1.00 0.00 H new ATOM 0 HE ARG A 28 19.680 -12.481 -24.546 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.427 -14.285 -27.487 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.904 -13.371 -27.810 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.578 -11.312 -24.968 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.553 -11.696 -26.391 1.00 0.00 H new ATOM 484 N VAL A 29 16.144 -15.634 -21.299 1.00 0.00 N ATOM 485 CA VAL A 29 15.194 -15.349 -20.231 1.00 0.00 C ATOM 486 C VAL A 29 15.913 -14.950 -18.947 1.00 0.00 C ATOM 487 O VAL A 29 15.693 -13.863 -18.412 1.00 0.00 O ATOM 488 CB VAL A 29 14.291 -16.564 -19.944 1.00 0.00 C ATOM 489 CG1 VAL A 29 13.692 -16.467 -18.549 1.00 0.00 C ATOM 490 CG2 VAL A 29 13.198 -16.675 -20.996 1.00 0.00 C ATOM 0 H VAL A 29 15.921 -16.462 -21.852 1.00 0.00 H new ATOM 0 HA VAL A 29 14.576 -14.518 -20.571 1.00 0.00 H new ATOM 0 HB VAL A 29 14.900 -17.467 -19.989 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.057 -17.334 -18.364 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.493 -16.440 -17.810 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.096 -15.558 -18.471 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.569 -17.538 -20.778 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.589 -15.771 -20.985 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.651 -16.795 -21.980 1.00 0.00 H new ATOM 500 N ARG A 30 16.774 -15.837 -18.458 1.00 0.00 N ATOM 501 CA ARG A 30 17.526 -15.577 -17.236 1.00 0.00 C ATOM 502 C ARG A 30 18.399 -14.335 -17.388 1.00 0.00 C ATOM 503 O ARG A 30 18.442 -13.480 -16.503 1.00 0.00 O ATOM 504 CB ARG A 30 18.396 -16.785 -16.881 1.00 0.00 C ATOM 505 CG ARG A 30 19.391 -17.158 -17.967 1.00 0.00 C ATOM 506 CD ARG A 30 19.888 -18.586 -17.801 1.00 0.00 C ATOM 507 NE ARG A 30 20.229 -18.888 -16.413 1.00 0.00 N ATOM 508 CZ ARG A 30 20.545 -20.104 -15.982 1.00 0.00 C ATOM 509 NH1 ARG A 30 20.562 -21.127 -16.826 1.00 0.00 N ATOM 510 NH2 ARG A 30 20.844 -20.300 -14.704 1.00 0.00 N ATOM 0 H ARG A 30 16.968 -16.741 -18.889 1.00 0.00 H new ATOM 0 HA ARG A 30 16.813 -15.402 -16.431 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.939 -16.573 -15.960 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.751 -17.641 -16.681 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.923 -17.046 -18.945 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.237 -16.471 -17.938 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.121 -19.279 -18.145 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.763 -18.741 -18.432 1.00 0.00 H new ATOM 0 HE ARG A 30 20.224 -18.123 -15.738 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.332 -20.981 -17.809 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.805 -22.060 -16.492 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.831 -19.516 -14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.086 -21.234 -14.374 1.00 0.00 H new ATOM 524 N THR A 31 19.095 -14.242 -18.517 1.00 0.00 N ATOM 525 CA THR A 31 19.968 -13.106 -18.785 1.00 0.00 C ATOM 526 C THR A 31 19.215 -11.788 -18.641 1.00 0.00 C ATOM 527 O THR A 31 19.575 -10.943 -17.821 1.00 0.00 O ATOM 528 CB THR A 31 20.575 -13.185 -20.199 1.00 0.00 C ATOM 529 OG1 THR A 31 21.588 -14.197 -20.241 1.00 0.00 O ATOM 530 CG2 THR A 31 21.170 -11.847 -20.608 1.00 0.00 C ATOM 0 H THR A 31 19.071 -14.940 -19.260 1.00 0.00 H new ATOM 0 HA THR A 31 20.772 -13.145 -18.050 1.00 0.00 H new ATOM 0 HB THR A 31 19.779 -13.439 -20.899 1.00 0.00 H new ATOM 0 HG1 THR A 31 21.171 -15.071 -20.394 1.00 0.00 H new ATOM 0 HG21 THR A 31 21.592 -11.928 -21.610 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.390 -11.085 -20.603 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.955 -11.567 -19.905 1.00 0.00 H new ATOM 538 N LEU A 32 18.169 -11.619 -19.442 1.00 0.00 N ATOM 539 CA LEU A 32 17.365 -10.402 -19.403 1.00 0.00 C ATOM 540 C LEU A 32 16.765 -10.190 -18.016 1.00 0.00 C ATOM 541 O LEU A 32 16.983 -9.156 -17.386 1.00 0.00 O ATOM 542 CB LEU A 32 16.250 -10.471 -20.448 1.00 0.00 C ATOM 543 CG LEU A 32 16.635 -11.066 -21.802 1.00 0.00 C ATOM 544 CD1 LEU A 32 15.513 -10.870 -22.810 1.00 0.00 C ATOM 545 CD2 LEU A 32 17.927 -10.443 -22.311 1.00 0.00 C ATOM 0 H LEU A 32 17.858 -12.309 -20.126 1.00 0.00 H new ATOM 0 HA LEU A 32 18.016 -9.558 -19.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.429 -11.058 -20.036 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.870 -9.463 -20.612 1.00 0.00 H new ATOM 0 HG LEU A 32 16.797 -12.136 -21.674 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.805 -11.300 -23.768 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.611 -11.364 -22.451 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.318 -9.805 -22.935 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.186 -10.879 -23.276 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.793 -9.367 -22.423 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.729 -10.636 -21.599 1.00 0.00 H new ATOM 557 N VAL A 33 16.011 -11.178 -17.546 1.00 0.00 N ATOM 558 CA VAL A 33 15.383 -11.102 -16.232 1.00 0.00 C ATOM 559 C VAL A 33 16.393 -10.703 -15.162 1.00 0.00 C ATOM 560 O VAL A 33 16.375 -9.576 -14.666 1.00 0.00 O ATOM 561 CB VAL A 33 14.738 -12.444 -15.839 1.00 0.00 C ATOM 562 CG1 VAL A 33 14.266 -12.408 -14.394 1.00 0.00 C ATOM 563 CG2 VAL A 33 13.587 -12.777 -16.776 1.00 0.00 C ATOM 0 H VAL A 33 15.820 -12.041 -18.055 1.00 0.00 H new ATOM 0 HA VAL A 33 14.606 -10.340 -16.297 1.00 0.00 H new ATOM 0 HB VAL A 33 15.490 -13.228 -15.931 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.813 -13.365 -14.135 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.116 -12.220 -13.738 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.530 -11.613 -14.271 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.143 -13.729 -16.483 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.833 -11.992 -16.719 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.959 -12.849 -17.798 1.00 0.00 H new ATOM 573 N LEU A 34 17.273 -11.634 -14.812 1.00 0.00 N ATOM 574 CA LEU A 34 18.293 -11.380 -13.800 1.00 0.00 C ATOM 575 C LEU A 34 19.046 -10.087 -14.099 1.00 0.00 C ATOM 576 O LEU A 34 19.461 -9.373 -13.187 1.00 0.00 O ATOM 577 CB LEU A 34 19.274 -12.551 -13.731 1.00 0.00 C ATOM 578 CG LEU A 34 18.651 -13.941 -13.600 1.00 0.00 C ATOM 579 CD1 LEU A 34 19.715 -15.019 -13.748 1.00 0.00 C ATOM 580 CD2 LEU A 34 17.931 -14.080 -12.266 1.00 0.00 C ATOM 0 H LEU A 34 17.301 -12.571 -15.213 1.00 0.00 H new ATOM 0 HA LEU A 34 17.795 -11.274 -12.836 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.892 -12.535 -14.629 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.940 -12.392 -12.883 1.00 0.00 H new ATOM 0 HG LEU A 34 17.921 -14.067 -14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.253 -16.002 -13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.186 -14.934 -14.727 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.469 -14.895 -12.971 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.494 -15.076 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.641 -13.933 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.142 -13.331 -12.199 1.00 0.00 H new ATOM 592 N GLY A 35 19.218 -9.792 -15.384 1.00 0.00 N ATOM 593 CA GLY A 35 19.920 -8.585 -15.780 1.00 0.00 C ATOM 594 C GLY A 35 19.250 -7.328 -15.261 1.00 0.00 C ATOM 595 O GLY A 35 19.759 -6.676 -14.349 1.00 0.00 O ATOM 0 H GLY A 35 18.884 -10.367 -16.157 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.944 -8.626 -15.410 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.975 -8.541 -16.868 1.00 0.00 H new ATOM 599 N LEU A 36 18.106 -6.986 -15.843 1.00 0.00 N ATOM 600 CA LEU A 36 17.365 -5.797 -15.434 1.00 0.00 C ATOM 601 C LEU A 36 17.180 -5.764 -13.921 1.00 0.00 C ATOM 602 O LEU A 36 17.020 -4.697 -13.327 1.00 0.00 O ATOM 603 CB LEU A 36 16.002 -5.759 -16.127 1.00 0.00 C ATOM 604 CG LEU A 36 15.076 -6.945 -15.854 1.00 0.00 C ATOM 605 CD1 LEU A 36 14.439 -6.819 -14.479 1.00 0.00 C ATOM 606 CD2 LEU A 36 14.007 -7.046 -16.933 1.00 0.00 C ATOM 0 H LEU A 36 17.671 -7.515 -16.599 1.00 0.00 H new ATOM 0 HA LEU A 36 17.941 -4.920 -15.730 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.489 -4.846 -15.825 1.00 0.00 H new ATOM 0 HB3 LEU A 36 16.166 -5.692 -17.203 1.00 0.00 H new ATOM 0 HG LEU A 36 15.671 -7.858 -15.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.783 -7.672 -14.302 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.219 -6.797 -13.718 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.858 -5.898 -14.430 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.357 -7.895 -16.723 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.415 -6.131 -16.946 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.482 -7.184 -17.904 1.00 0.00 H new ATOM 618 N VAL A 37 17.206 -6.940 -13.301 1.00 0.00 N ATOM 619 CA VAL A 37 17.044 -7.045 -11.856 1.00 0.00 C ATOM 620 C VAL A 37 18.237 -6.440 -11.124 1.00 0.00 C ATOM 621 O VAL A 37 18.086 -5.508 -10.335 1.00 0.00 O ATOM 622 CB VAL A 37 16.876 -8.512 -11.415 1.00 0.00 C ATOM 623 CG1 VAL A 37 17.248 -8.675 -9.949 1.00 0.00 C ATOM 624 CG2 VAL A 37 15.453 -8.984 -11.669 1.00 0.00 C ATOM 0 H VAL A 37 17.338 -7.833 -13.777 1.00 0.00 H new ATOM 0 HA VAL A 37 16.142 -6.490 -11.597 1.00 0.00 H new ATOM 0 HB VAL A 37 17.551 -9.131 -12.006 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.123 -9.717 -9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.287 -8.379 -9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.601 -8.046 -9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.352 -10.022 -11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.757 -8.363 -11.105 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.228 -8.906 -12.733 1.00 0.00 H new ATOM 634 N ASN A 38 19.423 -6.976 -11.392 1.00 0.00 N ATOM 635 CA ASN A 38 20.643 -6.488 -10.759 1.00 0.00 C ATOM 636 C ASN A 38 21.573 -5.853 -11.787 1.00 0.00 C ATOM 637 O ASN A 38 22.084 -4.752 -11.581 1.00 0.00 O ATOM 638 CB ASN A 38 21.363 -7.633 -10.042 1.00 0.00 C ATOM 639 CG ASN A 38 21.530 -8.854 -10.925 1.00 0.00 C ATOM 640 OD1 ASN A 38 22.447 -8.919 -11.745 1.00 0.00 O ATOM 641 ND2 ASN A 38 20.644 -9.828 -10.762 1.00 0.00 N ATOM 0 H ASN A 38 19.565 -7.748 -12.043 1.00 0.00 H new ATOM 0 HA ASN A 38 20.365 -5.728 -10.029 1.00 0.00 H new ATOM 0 HB2 ASN A 38 22.343 -7.291 -9.710 1.00 0.00 H new ATOM 0 HB3 ASN A 38 20.802 -7.908 -9.149 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.706 -10.674 -11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.901 -9.731 -10.070 1.00 0.00 H new ATOM 648 N SER A 39 21.788 -6.554 -12.896 1.00 0.00 N ATOM 649 CA SER A 39 22.659 -6.060 -13.956 1.00 0.00 C ATOM 650 C SER A 39 22.033 -4.858 -14.657 1.00 0.00 C ATOM 651 O SER A 39 20.849 -4.570 -14.485 1.00 0.00 O ATOM 652 CB SER A 39 22.939 -7.169 -14.972 1.00 0.00 C ATOM 653 OG SER A 39 24.237 -7.036 -15.526 1.00 0.00 O ATOM 0 H SER A 39 21.371 -7.466 -13.084 1.00 0.00 H new ATOM 0 HA SER A 39 23.599 -5.745 -13.504 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.844 -8.142 -14.489 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.195 -7.134 -15.768 1.00 0.00 H new ATOM 0 HG SER A 39 24.393 -7.757 -16.171 1.00 0.00 H new ATOM 659 N THR A 40 22.839 -4.158 -15.451 1.00 0.00 N ATOM 660 CA THR A 40 22.367 -2.987 -16.178 1.00 0.00 C ATOM 661 C THR A 40 21.560 -3.391 -17.406 1.00 0.00 C ATOM 662 O THR A 40 22.120 -3.654 -18.471 1.00 0.00 O ATOM 663 CB THR A 40 23.539 -2.090 -16.619 1.00 0.00 C ATOM 664 OG1 THR A 40 24.152 -1.486 -15.475 1.00 0.00 O ATOM 665 CG2 THR A 40 23.061 -1.007 -17.576 1.00 0.00 C ATOM 0 H THR A 40 23.822 -4.383 -15.606 1.00 0.00 H new ATOM 0 HA THR A 40 21.728 -2.427 -15.495 1.00 0.00 H new ATOM 0 HB THR A 40 24.270 -2.713 -17.135 1.00 0.00 H new ATOM 0 HG1 THR A 40 24.897 -0.919 -15.764 1.00 0.00 H new ATOM 0 HG21 THR A 40 23.906 -0.386 -17.874 1.00 0.00 H new ATOM 0 HG22 THR A 40 22.622 -1.470 -18.460 1.00 0.00 H new ATOM 0 HG23 THR A 40 22.313 -0.388 -17.081 1.00 0.00 H new ATOM 673 N LEU A 41 20.241 -3.437 -17.253 1.00 0.00 N ATOM 674 CA LEU A 41 19.356 -3.808 -18.351 1.00 0.00 C ATOM 675 C LEU A 41 18.020 -3.078 -18.244 1.00 0.00 C ATOM 676 O LEU A 41 17.311 -3.201 -17.245 1.00 0.00 O ATOM 677 CB LEU A 41 19.124 -5.320 -18.357 1.00 0.00 C ATOM 678 CG LEU A 41 19.823 -6.101 -19.471 1.00 0.00 C ATOM 679 CD1 LEU A 41 19.675 -7.598 -19.246 1.00 0.00 C ATOM 680 CD2 LEU A 41 19.266 -5.706 -20.830 1.00 0.00 C ATOM 0 H LEU A 41 19.761 -3.222 -16.379 1.00 0.00 H new ATOM 0 HA LEU A 41 19.835 -3.516 -19.285 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.452 -5.722 -17.398 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.052 -5.503 -18.430 1.00 0.00 H new ATOM 0 HG LEU A 41 20.885 -5.854 -19.451 1.00 0.00 H new ATOM 0 HD11 LEU A 41 20.178 -8.138 -20.048 1.00 0.00 H new ATOM 0 HD12 LEU A 41 20.123 -7.868 -18.290 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.617 -7.862 -19.239 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.775 -6.272 -21.610 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.198 -5.923 -20.863 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.425 -4.640 -20.992 1.00 0.00 H new ATOM 692 N THR A 42 17.682 -2.319 -19.282 1.00 0.00 N ATOM 693 CA THR A 42 16.432 -1.570 -19.306 1.00 0.00 C ATOM 694 C THR A 42 15.290 -2.424 -19.847 1.00 0.00 C ATOM 695 O THR A 42 15.511 -3.348 -20.629 1.00 0.00 O ATOM 696 CB THR A 42 16.556 -0.297 -20.163 1.00 0.00 C ATOM 697 OG1 THR A 42 15.306 0.402 -20.186 1.00 0.00 O ATOM 698 CG2 THR A 42 16.977 -0.639 -21.584 1.00 0.00 C ATOM 0 H THR A 42 18.257 -2.207 -20.117 1.00 0.00 H new ATOM 0 HA THR A 42 16.214 -1.286 -18.277 1.00 0.00 H new ATOM 0 HB THR A 42 17.320 0.340 -19.718 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.394 1.211 -20.732 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.058 0.277 -22.170 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.943 -1.144 -21.566 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.233 -1.295 -22.036 1.00 0.00 H new ATOM 706 N ILE A 43 14.070 -2.108 -19.425 1.00 0.00 N ATOM 707 CA ILE A 43 12.894 -2.845 -19.869 1.00 0.00 C ATOM 708 C ILE A 43 12.889 -3.010 -21.385 1.00 0.00 C ATOM 709 O ILE A 43 12.756 -4.121 -21.897 1.00 0.00 O ATOM 710 CB ILE A 43 11.593 -2.144 -19.436 1.00 0.00 C ATOM 711 CG1 ILE A 43 11.585 -1.926 -17.922 1.00 0.00 C ATOM 712 CG2 ILE A 43 10.383 -2.960 -19.866 1.00 0.00 C ATOM 713 CD1 ILE A 43 10.806 -2.979 -17.164 1.00 0.00 C ATOM 0 H ILE A 43 13.871 -1.347 -18.776 1.00 0.00 H new ATOM 0 HA ILE A 43 12.941 -3.827 -19.399 1.00 0.00 H new ATOM 0 HB ILE A 43 11.542 -1.171 -19.924 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.613 -1.915 -17.559 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.160 -0.946 -17.706 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.471 -2.451 -19.553 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.384 -3.068 -20.951 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.426 -3.946 -19.403 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.843 -2.761 -16.097 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.769 -2.976 -17.499 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.244 -3.960 -17.350 1.00 0.00 H new ATOM 725 N GLU A 44 13.036 -1.897 -22.097 1.00 0.00 N ATOM 726 CA GLU A 44 13.050 -1.920 -23.555 1.00 0.00 C ATOM 727 C GLU A 44 14.021 -2.976 -24.074 1.00 0.00 C ATOM 728 O GLU A 44 13.659 -3.813 -24.900 1.00 0.00 O ATOM 729 CB GLU A 44 13.433 -0.544 -24.105 1.00 0.00 C ATOM 730 CG GLU A 44 12.253 0.247 -24.643 1.00 0.00 C ATOM 731 CD GLU A 44 12.623 1.671 -25.009 1.00 0.00 C ATOM 732 OE1 GLU A 44 13.789 1.901 -25.393 1.00 0.00 O ATOM 733 OE2 GLU A 44 11.746 2.555 -24.911 1.00 0.00 O ATOM 0 H GLU A 44 13.147 -0.969 -21.688 1.00 0.00 H new ATOM 0 HA GLU A 44 12.047 -2.174 -23.898 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.916 0.032 -23.315 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.167 -0.672 -24.901 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.853 -0.258 -25.522 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.460 0.262 -23.896 1.00 0.00 H new ATOM 740 N GLU A 45 15.255 -2.929 -23.583 1.00 0.00 N ATOM 741 CA GLU A 45 16.279 -3.881 -23.998 1.00 0.00 C ATOM 742 C GLU A 45 15.887 -5.304 -23.613 1.00 0.00 C ATOM 743 O GLU A 45 15.951 -6.221 -24.432 1.00 0.00 O ATOM 744 CB GLU A 45 17.626 -3.523 -23.367 1.00 0.00 C ATOM 745 CG GLU A 45 18.740 -4.495 -23.718 1.00 0.00 C ATOM 746 CD GLU A 45 19.405 -4.168 -25.041 1.00 0.00 C ATOM 747 OE1 GLU A 45 18.691 -3.755 -25.979 1.00 0.00 O ATOM 748 OE2 GLU A 45 20.640 -4.324 -25.138 1.00 0.00 O ATOM 0 H GLU A 45 15.570 -2.242 -22.898 1.00 0.00 H new ATOM 0 HA GLU A 45 16.369 -3.828 -25.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.914 -2.522 -23.689 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.513 -3.489 -22.283 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.489 -4.484 -22.927 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.335 -5.506 -23.759 1.00 0.00 H new ATOM 755 N PHE A 46 15.481 -5.481 -22.360 1.00 0.00 N ATOM 756 CA PHE A 46 15.079 -6.792 -21.864 1.00 0.00 C ATOM 757 C PHE A 46 13.948 -7.370 -22.709 1.00 0.00 C ATOM 758 O PHE A 46 13.735 -8.583 -22.736 1.00 0.00 O ATOM 759 CB PHE A 46 14.641 -6.696 -20.401 1.00 0.00 C ATOM 760 CG PHE A 46 13.395 -7.477 -20.096 1.00 0.00 C ATOM 761 CD1 PHE A 46 12.144 -6.947 -20.369 1.00 0.00 C ATOM 762 CD2 PHE A 46 13.475 -8.742 -19.535 1.00 0.00 C ATOM 763 CE1 PHE A 46 10.996 -7.664 -20.090 1.00 0.00 C ATOM 764 CE2 PHE A 46 12.330 -9.463 -19.254 1.00 0.00 C ATOM 765 CZ PHE A 46 11.089 -8.923 -19.531 1.00 0.00 C ATOM 0 H PHE A 46 15.422 -4.733 -21.669 1.00 0.00 H new ATOM 0 HA PHE A 46 15.939 -7.458 -21.935 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.450 -7.054 -19.764 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.475 -5.649 -20.148 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.065 -5.962 -20.805 1.00 0.00 H new ATOM 0 HD2 PHE A 46 14.442 -9.169 -19.315 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.027 -7.240 -20.309 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.405 -10.448 -18.818 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.193 -9.485 -19.311 1.00 0.00 H new ATOM 775 N HIS A 47 13.223 -6.493 -23.396 1.00 0.00 N ATOM 776 CA HIS A 47 12.113 -6.915 -24.243 1.00 0.00 C ATOM 777 C HIS A 47 12.587 -7.182 -25.668 1.00 0.00 C ATOM 778 O HIS A 47 11.923 -7.882 -26.433 1.00 0.00 O ATOM 779 CB HIS A 47 11.015 -5.851 -24.249 1.00 0.00 C ATOM 780 CG HIS A 47 10.100 -5.941 -25.431 1.00 0.00 C ATOM 781 ND1 HIS A 47 9.367 -7.070 -25.730 1.00 0.00 N ATOM 782 CD2 HIS A 47 9.799 -5.034 -26.389 1.00 0.00 C ATOM 783 CE1 HIS A 47 8.656 -6.854 -26.822 1.00 0.00 C ATOM 784 NE2 HIS A 47 8.900 -5.626 -27.242 1.00 0.00 N ATOM 0 H HIS A 47 13.384 -5.486 -23.383 1.00 0.00 H new ATOM 0 HA HIS A 47 11.709 -7.841 -23.834 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.426 -5.943 -23.336 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.477 -4.864 -24.232 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.192 -4.031 -26.468 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.989 -7.561 -27.292 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.488 -5.188 -28.066 1.00 0.00 H new ATOM 792 N SER A 48 13.739 -6.619 -26.019 1.00 0.00 N ATOM 793 CA SER A 48 14.300 -6.793 -27.354 1.00 0.00 C ATOM 794 C SER A 48 14.936 -8.172 -27.501 1.00 0.00 C ATOM 795 O SER A 48 15.011 -8.720 -28.600 1.00 0.00 O ATOM 796 CB SER A 48 15.338 -5.706 -27.639 1.00 0.00 C ATOM 797 OG SER A 48 16.363 -6.191 -28.490 1.00 0.00 O ATOM 0 H SER A 48 14.302 -6.038 -25.397 1.00 0.00 H new ATOM 0 HA SER A 48 13.488 -6.708 -28.077 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.852 -4.847 -28.102 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.773 -5.359 -26.702 1.00 0.00 H new ATOM 0 HG SER A 48 17.013 -5.477 -28.659 1.00 0.00 H new ATOM 803 N LYS A 49 15.394 -8.727 -26.384 1.00 0.00 N ATOM 804 CA LYS A 49 16.023 -10.042 -26.385 1.00 0.00 C ATOM 805 C LYS A 49 15.016 -11.128 -26.022 1.00 0.00 C ATOM 806 O LYS A 49 15.222 -12.305 -26.320 1.00 0.00 O ATOM 807 CB LYS A 49 17.196 -10.070 -25.401 1.00 0.00 C ATOM 808 CG LYS A 49 18.556 -10.033 -26.075 1.00 0.00 C ATOM 809 CD LYS A 49 19.621 -9.468 -25.151 1.00 0.00 C ATOM 810 CE LYS A 49 19.380 -7.995 -24.857 1.00 0.00 C ATOM 811 NZ LYS A 49 19.212 -7.201 -26.106 1.00 0.00 N ATOM 0 H LYS A 49 15.341 -8.286 -25.466 1.00 0.00 H new ATOM 0 HA LYS A 49 16.395 -10.238 -27.391 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.112 -9.220 -24.724 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.126 -10.971 -24.791 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.838 -11.040 -26.384 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.499 -9.427 -26.979 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.629 -10.030 -24.217 1.00 0.00 H new ATOM 0 HD3 LYS A 49 20.603 -9.593 -25.607 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.490 -7.889 -24.237 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.217 -7.597 -24.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.916 -6.436 -26.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.346 -7.820 -26.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.256 -6.792 -26.132 1.00 0.00 H new ATOM 825 N LEU A 50 13.925 -10.725 -25.378 1.00 0.00 N ATOM 826 CA LEU A 50 12.884 -11.664 -24.976 1.00 0.00 C ATOM 827 C LEU A 50 11.890 -11.894 -26.110 1.00 0.00 C ATOM 828 O LEU A 50 11.399 -13.006 -26.302 1.00 0.00 O ATOM 829 CB LEU A 50 12.151 -11.144 -23.738 1.00 0.00 C ATOM 830 CG LEU A 50 11.561 -12.207 -22.811 1.00 0.00 C ATOM 831 CD1 LEU A 50 11.627 -11.749 -21.363 1.00 0.00 C ATOM 832 CD2 LEU A 50 10.126 -12.523 -23.208 1.00 0.00 C ATOM 0 H LEU A 50 13.739 -9.755 -25.124 1.00 0.00 H new ATOM 0 HA LEU A 50 13.360 -12.615 -24.737 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.844 -10.532 -23.161 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.344 -10.489 -24.067 1.00 0.00 H new ATOM 0 HG LEU A 50 12.153 -13.117 -22.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.203 -12.519 -20.718 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.666 -11.574 -21.084 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.060 -10.825 -21.247 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.722 -13.281 -22.538 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.522 -11.618 -23.139 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.105 -12.896 -24.232 1.00 0.00 H new ATOM 844 N GLN A 51 11.600 -10.835 -26.859 1.00 0.00 N ATOM 845 CA GLN A 51 10.666 -10.922 -27.976 1.00 0.00 C ATOM 846 C GLN A 51 11.233 -11.791 -29.093 1.00 0.00 C ATOM 847 O GLN A 51 10.490 -12.470 -29.801 1.00 0.00 O ATOM 848 CB GLN A 51 10.347 -9.526 -28.511 1.00 0.00 C ATOM 849 CG GLN A 51 9.571 -9.538 -29.819 1.00 0.00 C ATOM 850 CD GLN A 51 8.448 -10.556 -29.821 1.00 0.00 C ATOM 851 OE1 GLN A 51 7.853 -10.844 -28.782 1.00 0.00 O ATOM 852 NE2 GLN A 51 8.151 -11.108 -30.992 1.00 0.00 N ATOM 0 H GLN A 51 11.998 -9.907 -26.713 1.00 0.00 H new ATOM 0 HA GLN A 51 9.747 -11.383 -27.614 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.772 -8.982 -27.762 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.279 -8.980 -28.656 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.158 -8.546 -30.001 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.254 -9.754 -30.640 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.670 -10.840 -31.828 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.404 -11.800 -31.055 1.00 0.00 H new ATOM 861 N GLU A 52 12.553 -11.764 -29.246 1.00 0.00 N ATOM 862 CA GLU A 52 13.219 -12.549 -30.279 1.00 0.00 C ATOM 863 C GLU A 52 13.660 -13.904 -29.733 1.00 0.00 C ATOM 864 O GLU A 52 14.186 -14.740 -30.468 1.00 0.00 O ATOM 865 CB GLU A 52 14.429 -11.790 -30.827 1.00 0.00 C ATOM 866 CG GLU A 52 15.522 -11.561 -29.797 1.00 0.00 C ATOM 867 CD GLU A 52 16.522 -10.507 -30.231 1.00 0.00 C ATOM 868 OE1 GLU A 52 16.299 -9.879 -31.287 1.00 0.00 O ATOM 869 OE2 GLU A 52 17.525 -10.310 -29.515 1.00 0.00 O ATOM 0 H GLU A 52 13.182 -11.207 -28.668 1.00 0.00 H new ATOM 0 HA GLU A 52 12.507 -12.716 -31.087 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.845 -12.345 -31.668 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.098 -10.826 -31.213 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.069 -11.259 -28.853 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.045 -12.499 -29.614 1.00 0.00 H new ATOM 876 N ALA A 53 13.441 -14.114 -28.439 1.00 0.00 N ATOM 877 CA ALA A 53 13.813 -15.367 -27.795 1.00 0.00 C ATOM 878 C ALA A 53 12.591 -16.247 -27.558 1.00 0.00 C ATOM 879 O ALA A 53 12.608 -17.444 -27.849 1.00 0.00 O ATOM 880 CB ALA A 53 14.530 -15.093 -26.481 1.00 0.00 C ATOM 0 H ALA A 53 13.008 -13.432 -27.816 1.00 0.00 H new ATOM 0 HA ALA A 53 14.490 -15.902 -28.462 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.802 -16.038 -26.011 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.431 -14.511 -26.673 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.871 -14.534 -25.817 1.00 0.00 H new ATOM 886 N THR A 54 11.529 -15.648 -27.027 1.00 0.00 N ATOM 887 CA THR A 54 10.299 -16.378 -26.750 1.00 0.00 C ATOM 888 C THR A 54 9.520 -16.651 -28.032 1.00 0.00 C ATOM 889 O THR A 54 9.367 -15.769 -28.875 1.00 0.00 O ATOM 890 CB THR A 54 9.396 -15.605 -25.769 1.00 0.00 C ATOM 891 OG1 THR A 54 9.142 -14.288 -26.271 1.00 0.00 O ATOM 892 CG2 THR A 54 10.043 -15.513 -24.396 1.00 0.00 C ATOM 0 H THR A 54 11.497 -14.659 -26.780 1.00 0.00 H new ATOM 0 HA THR A 54 10.590 -17.326 -26.296 1.00 0.00 H new ATOM 0 HB THR A 54 8.454 -16.145 -25.674 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.908 -13.709 -26.073 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.387 -14.963 -23.721 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.209 -16.516 -24.004 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.998 -14.993 -24.478 1.00 0.00 H new ATOM 900 N ASN A 55 9.030 -17.878 -28.171 1.00 0.00 N ATOM 901 CA ASN A 55 8.267 -18.267 -29.351 1.00 0.00 C ATOM 902 C ASN A 55 7.008 -17.416 -29.490 1.00 0.00 C ATOM 903 O ASN A 55 6.772 -16.504 -28.697 1.00 0.00 O ATOM 904 CB ASN A 55 7.889 -19.748 -29.275 1.00 0.00 C ATOM 905 CG ASN A 55 9.057 -20.622 -28.861 1.00 0.00 C ATOM 906 OD1 ASN A 55 9.220 -20.942 -27.684 1.00 0.00 O ATOM 907 ND2 ASN A 55 9.877 -21.012 -29.831 1.00 0.00 N ATOM 0 H ASN A 55 9.148 -18.620 -27.481 1.00 0.00 H new ATOM 0 HA ASN A 55 8.894 -18.103 -30.228 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.073 -19.876 -28.564 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.519 -20.076 -30.247 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.681 -21.601 -29.613 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.703 -20.722 -30.793 1.00 0.00 H new ATOM 914 N PHE A 56 6.202 -17.721 -30.502 1.00 0.00 N ATOM 915 CA PHE A 56 4.968 -16.985 -30.745 1.00 0.00 C ATOM 916 C PHE A 56 5.257 -15.511 -31.014 1.00 0.00 C ATOM 917 O PHE A 56 6.343 -15.004 -30.732 1.00 0.00 O ATOM 918 CB PHE A 56 4.024 -17.120 -29.548 1.00 0.00 C ATOM 919 CG PHE A 56 3.109 -18.308 -29.637 1.00 0.00 C ATOM 920 CD1 PHE A 56 2.346 -18.527 -30.773 1.00 0.00 C ATOM 921 CD2 PHE A 56 3.011 -19.204 -28.585 1.00 0.00 C ATOM 922 CE1 PHE A 56 1.503 -19.619 -30.859 1.00 0.00 C ATOM 923 CE2 PHE A 56 2.171 -20.298 -28.666 1.00 0.00 C ATOM 924 CZ PHE A 56 1.415 -20.505 -29.803 1.00 0.00 C ATOM 0 H PHE A 56 6.382 -18.473 -31.167 1.00 0.00 H new ATOM 0 HA PHE A 56 4.489 -17.410 -31.627 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.616 -17.195 -28.636 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.423 -16.214 -29.465 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.411 -17.836 -31.601 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.597 -19.046 -27.692 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.914 -19.779 -31.750 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.106 -20.991 -27.840 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.756 -21.358 -29.866 1.00 0.00 H new ATOM 934 N PRO A 57 4.263 -14.806 -31.574 1.00 0.00 N ATOM 935 CA PRO A 57 4.387 -13.380 -31.894 1.00 0.00 C ATOM 936 C PRO A 57 4.434 -12.508 -30.645 1.00 0.00 C ATOM 937 O PRO A 57 4.288 -13.000 -29.525 1.00 0.00 O ATOM 938 CB PRO A 57 3.121 -13.088 -32.703 1.00 0.00 C ATOM 939 CG PRO A 57 2.139 -14.114 -32.255 1.00 0.00 C ATOM 940 CD PRO A 57 2.942 -15.345 -31.937 1.00 0.00 C ATOM 0 HA PRO A 57 5.311 -13.160 -32.428 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.754 -12.079 -32.513 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.310 -13.162 -33.774 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.588 -13.771 -31.379 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.405 -14.318 -33.034 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.500 -15.912 -31.118 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.004 -16.017 -32.793 1.00 0.00 H new ATOM 948 N LEU A 58 4.638 -11.210 -30.843 1.00 0.00 N ATOM 949 CA LEU A 58 4.703 -10.267 -29.731 1.00 0.00 C ATOM 950 C LEU A 58 3.572 -10.515 -28.739 1.00 0.00 C ATOM 951 O LEU A 58 2.396 -10.486 -29.104 1.00 0.00 O ATOM 952 CB LEU A 58 4.636 -8.830 -30.251 1.00 0.00 C ATOM 953 CG LEU A 58 4.547 -7.735 -29.187 1.00 0.00 C ATOM 954 CD1 LEU A 58 5.742 -6.800 -29.284 1.00 0.00 C ATOM 955 CD2 LEU A 58 3.246 -6.959 -29.328 1.00 0.00 C ATOM 0 H LEU A 58 4.761 -10.786 -31.763 1.00 0.00 H new ATOM 0 HA LEU A 58 5.652 -10.416 -29.215 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.519 -8.644 -30.862 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.770 -8.742 -30.907 1.00 0.00 H new ATOM 0 HG LEU A 58 4.560 -8.207 -28.204 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.662 -6.027 -28.520 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.661 -7.367 -29.133 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.761 -6.335 -30.270 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.200 -6.184 -28.563 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.203 -6.498 -30.315 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.402 -7.638 -29.208 1.00 0.00 H new ATOM 967 N ARG A 59 3.935 -10.757 -27.484 1.00 0.00 N ATOM 968 CA ARG A 59 2.950 -11.009 -26.439 1.00 0.00 C ATOM 969 C ARG A 59 2.302 -9.707 -25.977 1.00 0.00 C ATOM 970 O ARG A 59 2.852 -8.618 -26.144 1.00 0.00 O ATOM 971 CB ARG A 59 3.605 -11.715 -25.251 1.00 0.00 C ATOM 972 CG ARG A 59 4.889 -11.052 -24.780 1.00 0.00 C ATOM 973 CD ARG A 59 4.771 -10.566 -23.344 1.00 0.00 C ATOM 974 NE ARG A 59 4.449 -11.653 -22.423 1.00 0.00 N ATOM 975 CZ ARG A 59 5.330 -12.565 -22.026 1.00 0.00 C ATOM 976 NH1 ARG A 59 6.579 -12.521 -22.468 1.00 0.00 N ATOM 977 NH2 ARG A 59 4.961 -13.523 -21.186 1.00 0.00 N ATOM 0 H ARG A 59 4.904 -10.784 -27.166 1.00 0.00 H new ATOM 0 HA ARG A 59 2.175 -11.653 -26.853 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.897 -11.746 -24.423 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.819 -12.748 -25.526 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.715 -11.759 -24.859 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.126 -10.211 -25.432 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.708 -10.100 -23.041 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.999 -9.799 -23.283 1.00 0.00 H new ATOM 0 HE ARG A 59 3.496 -11.715 -22.065 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.866 -11.786 -23.114 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.253 -13.222 -22.162 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.001 -13.560 -20.845 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.638 -14.223 -20.882 1.00 0.00 H new ATOM 991 N PRO A 60 1.106 -9.819 -25.381 1.00 0.00 N ATOM 992 CA PRO A 60 0.358 -8.661 -24.882 1.00 0.00 C ATOM 993 C PRO A 60 1.016 -8.028 -23.661 1.00 0.00 C ATOM 994 O PRO A 60 1.364 -8.719 -22.703 1.00 0.00 O ATOM 995 CB PRO A 60 -1.004 -9.253 -24.510 1.00 0.00 C ATOM 996 CG PRO A 60 -0.729 -10.689 -24.226 1.00 0.00 C ATOM 997 CD PRO A 60 0.391 -11.086 -25.148 1.00 0.00 C ATOM 0 HA PRO A 60 0.303 -7.861 -25.621 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.429 -8.752 -23.640 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.720 -9.141 -25.324 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.446 -10.833 -23.183 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.615 -11.299 -24.403 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.039 -11.836 -24.694 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.014 -11.512 -26.078 1.00 0.00 H new ATOM 1005 N PHE A 61 1.183 -6.711 -23.701 1.00 0.00 N ATOM 1006 CA PHE A 61 1.800 -5.984 -22.597 1.00 0.00 C ATOM 1007 C PHE A 61 3.123 -6.628 -22.195 1.00 0.00 C ATOM 1008 O PHE A 61 3.186 -7.399 -21.237 1.00 0.00 O ATOM 1009 CB PHE A 61 0.854 -5.942 -21.395 1.00 0.00 C ATOM 1010 CG PHE A 61 -0.514 -5.419 -21.727 1.00 0.00 C ATOM 1011 CD1 PHE A 61 -0.688 -4.104 -22.130 1.00 0.00 C ATOM 1012 CD2 PHE A 61 -1.626 -6.241 -21.636 1.00 0.00 C ATOM 1013 CE1 PHE A 61 -1.946 -3.620 -22.435 1.00 0.00 C ATOM 1014 CE2 PHE A 61 -2.886 -5.762 -21.941 1.00 0.00 C ATOM 1015 CZ PHE A 61 -3.046 -4.450 -22.341 1.00 0.00 C ATOM 0 H PHE A 61 0.900 -6.124 -24.486 1.00 0.00 H new ATOM 0 HA PHE A 61 1.998 -4.965 -22.930 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.760 -6.946 -20.982 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.294 -5.317 -20.618 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.169 -3.451 -22.206 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.507 -7.268 -21.323 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.069 -2.593 -22.747 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.744 -6.413 -21.867 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.030 -4.074 -22.580 1.00 0.00 H new ATOM 1025 N VAL A 62 4.180 -6.307 -22.934 1.00 0.00 N ATOM 1026 CA VAL A 62 5.503 -6.852 -22.656 1.00 0.00 C ATOM 1027 C VAL A 62 6.336 -5.879 -21.830 1.00 0.00 C ATOM 1028 O VAL A 62 6.730 -6.183 -20.704 1.00 0.00 O ATOM 1029 CB VAL A 62 6.259 -7.183 -23.956 1.00 0.00 C ATOM 1030 CG1 VAL A 62 7.342 -8.219 -23.695 1.00 0.00 C ATOM 1031 CG2 VAL A 62 5.292 -7.669 -25.025 1.00 0.00 C ATOM 0 H VAL A 62 4.145 -5.671 -23.731 1.00 0.00 H new ATOM 0 HA VAL A 62 5.353 -7.770 -22.088 1.00 0.00 H new ATOM 0 HB VAL A 62 6.739 -6.274 -24.318 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.866 -8.440 -24.625 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.050 -7.829 -22.964 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.887 -9.131 -23.309 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.843 -7.898 -25.937 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.782 -8.566 -24.674 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.557 -6.891 -25.231 1.00 0.00 H new ATOM 1041 N ILE A 63 6.601 -4.707 -22.397 1.00 0.00 N ATOM 1042 CA ILE A 63 7.387 -3.687 -21.713 1.00 0.00 C ATOM 1043 C ILE A 63 6.736 -3.285 -20.394 1.00 0.00 C ATOM 1044 O ILE A 63 7.368 -3.277 -19.338 1.00 0.00 O ATOM 1045 CB ILE A 63 7.565 -2.432 -22.588 1.00 0.00 C ATOM 1046 CG1 ILE A 63 8.568 -2.705 -23.710 1.00 0.00 C ATOM 1047 CG2 ILE A 63 8.020 -1.255 -21.738 1.00 0.00 C ATOM 1048 CD1 ILE A 63 7.997 -2.497 -25.095 1.00 0.00 C ATOM 0 H ILE A 63 6.283 -4.440 -23.329 1.00 0.00 H new ATOM 0 HA ILE A 63 8.366 -4.123 -21.515 1.00 0.00 H new ATOM 0 HB ILE A 63 6.605 -2.181 -23.038 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.432 -2.053 -23.580 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.927 -3.731 -23.624 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.142 -0.375 -22.370 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.273 -1.050 -20.971 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.971 -1.495 -21.264 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.764 -2.709 -25.840 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.151 -3.168 -25.244 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.664 -1.464 -25.200 1.00 0.00 H new ATOM 1060 N PRO A 64 5.440 -2.945 -20.453 1.00 0.00 N ATOM 1061 CA PRO A 64 4.673 -2.537 -19.272 1.00 0.00 C ATOM 1062 C PRO A 64 4.425 -3.697 -18.314 1.00 0.00 C ATOM 1063 O PRO A 64 3.915 -3.505 -17.210 1.00 0.00 O ATOM 1064 CB PRO A 64 3.351 -2.039 -19.861 1.00 0.00 C ATOM 1065 CG PRO A 64 3.222 -2.756 -21.161 1.00 0.00 C ATOM 1066 CD PRO A 64 4.623 -2.931 -21.678 1.00 0.00 C ATOM 0 HA PRO A 64 5.201 -1.788 -18.682 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.514 -2.263 -19.200 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.363 -0.959 -20.004 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.732 -3.720 -21.028 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.615 -2.184 -21.863 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.730 -3.857 -22.243 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.910 -2.117 -22.343 1.00 0.00 H new ATOM 1074 N PHE A 65 4.790 -4.901 -18.742 1.00 0.00 N ATOM 1075 CA PHE A 65 4.607 -6.093 -17.922 1.00 0.00 C ATOM 1076 C PHE A 65 5.507 -6.049 -16.691 1.00 0.00 C ATOM 1077 O PHE A 65 5.035 -5.868 -15.568 1.00 0.00 O ATOM 1078 CB PHE A 65 4.903 -7.352 -18.740 1.00 0.00 C ATOM 1079 CG PHE A 65 3.945 -8.478 -18.474 1.00 0.00 C ATOM 1080 CD1 PHE A 65 2.577 -8.277 -18.562 1.00 0.00 C ATOM 1081 CD2 PHE A 65 4.413 -9.738 -18.137 1.00 0.00 C ATOM 1082 CE1 PHE A 65 1.694 -9.311 -18.318 1.00 0.00 C ATOM 1083 CE2 PHE A 65 3.535 -10.776 -17.892 1.00 0.00 C ATOM 1084 CZ PHE A 65 2.173 -10.563 -17.983 1.00 0.00 C ATOM 0 H PHE A 65 5.215 -5.077 -19.653 1.00 0.00 H new ATOM 0 HA PHE A 65 3.569 -6.120 -17.591 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.872 -7.102 -19.801 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.916 -7.688 -18.521 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.197 -7.301 -18.824 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.477 -9.911 -18.065 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.630 -9.141 -18.389 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.913 -11.753 -17.630 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.484 -11.373 -17.793 1.00 0.00 H new ATOM 1094 N LEU A 66 6.807 -6.217 -16.910 1.00 0.00 N ATOM 1095 CA LEU A 66 7.775 -6.197 -15.819 1.00 0.00 C ATOM 1096 C LEU A 66 8.034 -4.770 -15.346 1.00 0.00 C ATOM 1097 O LEU A 66 8.626 -4.553 -14.289 1.00 0.00 O ATOM 1098 CB LEU A 66 9.087 -6.845 -16.264 1.00 0.00 C ATOM 1099 CG LEU A 66 9.196 -8.356 -16.051 1.00 0.00 C ATOM 1100 CD1 LEU A 66 8.655 -9.105 -17.258 1.00 0.00 C ATOM 1101 CD2 LEU A 66 10.639 -8.753 -15.777 1.00 0.00 C ATOM 0 H LEU A 66 7.215 -6.368 -17.833 1.00 0.00 H new ATOM 0 HA LEU A 66 7.360 -6.766 -14.987 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.231 -6.636 -17.324 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.906 -6.363 -15.730 1.00 0.00 H new ATOM 0 HG LEU A 66 8.595 -8.626 -15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.741 -10.178 -17.089 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.608 -8.844 -17.409 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.228 -8.831 -18.143 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.698 -9.831 -15.628 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.262 -8.470 -16.626 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.993 -8.243 -14.881 1.00 0.00 H new ATOM 1113 N LYS A 67 7.585 -3.800 -16.135 1.00 0.00 N ATOM 1114 CA LYS A 67 7.764 -2.393 -15.797 1.00 0.00 C ATOM 1115 C LYS A 67 7.060 -2.054 -14.488 1.00 0.00 C ATOM 1116 O LYS A 67 7.296 -0.999 -13.900 1.00 0.00 O ATOM 1117 CB LYS A 67 7.228 -1.505 -16.922 1.00 0.00 C ATOM 1118 CG LYS A 67 8.315 -0.767 -17.685 1.00 0.00 C ATOM 1119 CD LYS A 67 8.070 0.733 -17.693 1.00 0.00 C ATOM 1120 CE LYS A 67 6.746 1.078 -18.357 1.00 0.00 C ATOM 1121 NZ LYS A 67 6.597 2.545 -18.567 1.00 0.00 N ATOM 0 H LYS A 67 7.094 -3.963 -17.014 1.00 0.00 H new ATOM 0 HA LYS A 67 8.831 -2.208 -15.673 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.660 -2.120 -17.620 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.534 -0.778 -16.500 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.284 -0.976 -17.232 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.356 -1.136 -18.710 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.074 1.109 -16.670 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.883 1.233 -18.219 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.676 0.565 -19.316 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.924 0.714 -17.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.682 2.739 -19.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.638 3.033 -17.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.366 2.888 -19.177 1.00 0.00 H new ATOM 1135 N ALA A 68 6.195 -2.956 -14.036 1.00 0.00 N ATOM 1136 CA ALA A 68 5.459 -2.754 -12.794 1.00 0.00 C ATOM 1137 C ALA A 68 5.994 -3.654 -11.685 1.00 0.00 C ATOM 1138 O ALA A 68 6.204 -3.208 -10.558 1.00 0.00 O ATOM 1139 CB ALA A 68 3.975 -3.009 -13.012 1.00 0.00 C ATOM 0 H ALA A 68 5.987 -3.834 -14.512 1.00 0.00 H new ATOM 0 HA ALA A 68 5.597 -1.718 -12.484 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.438 -2.854 -12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.595 -2.321 -13.767 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.828 -4.035 -13.350 1.00 0.00 H new ATOM 1145 N ASN A 69 6.213 -4.923 -12.013 1.00 0.00 N ATOM 1146 CA ASN A 69 6.723 -5.886 -11.044 1.00 0.00 C ATOM 1147 C ASN A 69 8.248 -5.853 -10.996 1.00 0.00 C ATOM 1148 O ASN A 69 8.876 -6.674 -10.326 1.00 0.00 O ATOM 1149 CB ASN A 69 6.243 -7.296 -11.394 1.00 0.00 C ATOM 1150 CG ASN A 69 6.595 -7.690 -12.816 1.00 0.00 C ATOM 1151 OD1 ASN A 69 7.750 -7.983 -13.123 1.00 0.00 O ATOM 1152 ND2 ASN A 69 5.596 -7.700 -13.691 1.00 0.00 N ATOM 0 H ASN A 69 6.045 -5.308 -12.942 1.00 0.00 H new ATOM 0 HA ASN A 69 6.340 -5.613 -10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.687 -8.011 -10.701 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.163 -7.353 -11.261 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.771 -7.958 -14.662 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.654 -7.450 -13.392 1.00 0.00 H new ATOM 1159 N LEU A 70 8.836 -4.900 -11.709 1.00 0.00 N ATOM 1160 CA LEU A 70 10.288 -4.758 -11.748 1.00 0.00 C ATOM 1161 C LEU A 70 10.876 -4.804 -10.341 1.00 0.00 C ATOM 1162 O LEU A 70 11.781 -5.585 -10.045 1.00 0.00 O ATOM 1163 CB LEU A 70 10.674 -3.446 -12.432 1.00 0.00 C ATOM 1164 CG LEU A 70 11.926 -3.490 -13.309 1.00 0.00 C ATOM 1165 CD1 LEU A 70 13.164 -3.737 -12.461 1.00 0.00 C ATOM 1166 CD2 LEU A 70 11.789 -4.562 -14.381 1.00 0.00 C ATOM 0 H LEU A 70 8.330 -4.213 -12.269 1.00 0.00 H new ATOM 0 HA LEU A 70 10.695 -5.591 -12.320 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.835 -3.119 -13.047 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.820 -2.688 -11.663 1.00 0.00 H new ATOM 0 HG LEU A 70 12.035 -2.524 -13.801 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.045 -3.765 -13.103 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.272 -2.934 -11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.064 -4.689 -11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.689 -4.579 -14.996 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.654 -5.535 -13.908 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.925 -4.341 -15.008 1.00 0.00 H new ATOM 1178 N PRO A 71 10.352 -3.948 -9.452 1.00 0.00 N ATOM 1179 CA PRO A 71 10.808 -3.873 -8.061 1.00 0.00 C ATOM 1180 C PRO A 71 10.414 -5.106 -7.254 1.00 0.00 C ATOM 1181 O PRO A 71 10.956 -5.355 -6.177 1.00 0.00 O ATOM 1182 CB PRO A 71 10.096 -2.631 -7.520 1.00 0.00 C ATOM 1183 CG PRO A 71 8.882 -2.490 -8.371 1.00 0.00 C ATOM 1184 CD PRO A 71 9.272 -2.988 -9.735 1.00 0.00 C ATOM 0 HA PRO A 71 11.895 -3.823 -7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.831 -2.752 -6.470 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.732 -1.749 -7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.052 -3.070 -7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.554 -1.451 -8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.434 -3.465 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.614 -2.176 -10.377 1.00 0.00 H new ATOM 1192 N LEU A 72 9.468 -5.875 -7.782 1.00 0.00 N ATOM 1193 CA LEU A 72 9.002 -7.084 -7.111 1.00 0.00 C ATOM 1194 C LEU A 72 9.801 -8.301 -7.565 1.00 0.00 C ATOM 1195 O LEU A 72 9.861 -9.314 -6.866 1.00 0.00 O ATOM 1196 CB LEU A 72 7.514 -7.303 -7.389 1.00 0.00 C ATOM 1197 CG LEU A 72 6.543 -6.555 -6.475 1.00 0.00 C ATOM 1198 CD1 LEU A 72 6.850 -6.848 -5.015 1.00 0.00 C ATOM 1199 CD2 LEU A 72 6.604 -5.058 -6.744 1.00 0.00 C ATOM 0 H LEU A 72 9.009 -5.683 -8.672 1.00 0.00 H new ATOM 0 HA LEU A 72 9.150 -6.955 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.310 -7.010 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.304 -8.370 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 72 5.532 -6.902 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.149 -6.307 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.755 -7.918 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.867 -6.529 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.907 -4.541 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.615 -4.696 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.334 -4.864 -7.782 1.00 0.00 H new ATOM 1211 N LEU A 73 10.415 -8.196 -8.739 1.00 0.00 N ATOM 1212 CA LEU A 73 11.213 -9.287 -9.286 1.00 0.00 C ATOM 1213 C LEU A 73 12.630 -9.261 -8.723 1.00 0.00 C ATOM 1214 O LEU A 73 13.262 -10.304 -8.558 1.00 0.00 O ATOM 1215 CB LEU A 73 11.256 -9.198 -10.812 1.00 0.00 C ATOM 1216 CG LEU A 73 10.544 -10.319 -11.570 1.00 0.00 C ATOM 1217 CD1 LEU A 73 11.089 -11.676 -11.153 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.042 -10.251 -11.336 1.00 0.00 C ATOM 0 H LEU A 73 10.375 -7.366 -9.330 1.00 0.00 H new ATOM 0 HA LEU A 73 10.745 -10.228 -8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.817 -8.247 -11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.300 -9.180 -11.126 1.00 0.00 H new ATOM 0 HG LEU A 73 10.732 -10.187 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.570 -12.461 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.156 -11.723 -11.373 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.932 -11.818 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.552 -11.056 -11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.834 -10.357 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.662 -9.291 -11.686 1.00 0.00 H new ATOM 1230 N GLN A 74 13.122 -8.062 -8.429 1.00 0.00 N ATOM 1231 CA GLN A 74 14.464 -7.901 -7.883 1.00 0.00 C ATOM 1232 C GLN A 74 14.523 -8.372 -6.433 1.00 0.00 C ATOM 1233 O GLN A 74 15.592 -8.404 -5.823 1.00 0.00 O ATOM 1234 CB GLN A 74 14.902 -6.438 -7.973 1.00 0.00 C ATOM 1235 CG GLN A 74 13.842 -5.455 -7.504 1.00 0.00 C ATOM 1236 CD GLN A 74 14.307 -4.608 -6.336 1.00 0.00 C ATOM 1237 OE1 GLN A 74 14.916 -5.248 -5.345 1.00 0.00 O flip ATOM 1238 NE2 GLN A 74 14.122 -3.390 -6.325 1.00 0.00 N flip ATOM 0 H GLN A 74 12.612 -7.189 -8.560 1.00 0.00 H new ATOM 0 HA GLN A 74 15.144 -8.515 -8.474 1.00 0.00 H new ATOM 0 HB2 GLN A 74 15.803 -6.300 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.166 -6.209 -9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.564 -4.803 -8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 74 12.945 -6.004 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 74 13.649 -2.939 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.442 -2.833 -5.533 1.00 0.00 H new ATOM 1247 N ARG A 75 13.367 -8.738 -5.888 1.00 0.00 N ATOM 1248 CA ARG A 75 13.287 -9.206 -4.510 1.00 0.00 C ATOM 1249 C ARG A 75 13.543 -10.708 -4.430 1.00 0.00 C ATOM 1250 O ARG A 75 14.366 -11.166 -3.639 1.00 0.00 O ATOM 1251 CB ARG A 75 11.915 -8.879 -3.917 1.00 0.00 C ATOM 1252 CG ARG A 75 11.352 -7.547 -4.384 1.00 0.00 C ATOM 1253 CD ARG A 75 11.845 -6.399 -3.517 1.00 0.00 C ATOM 1254 NE ARG A 75 13.257 -6.541 -3.172 1.00 0.00 N ATOM 1255 CZ ARG A 75 13.685 -7.012 -2.006 1.00 0.00 C ATOM 1256 NH1 ARG A 75 12.815 -7.384 -1.078 1.00 0.00 N ATOM 1257 NH2 ARG A 75 14.986 -7.111 -1.767 1.00 0.00 N ATOM 0 H ARG A 75 12.474 -8.719 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 75 14.056 -8.693 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.216 -9.672 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.991 -8.871 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.641 -7.372 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.263 -7.582 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.693 -5.456 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.252 -6.354 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 75 13.953 -6.263 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.814 -7.309 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.147 -7.745 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.658 -6.825 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.314 -7.473 -0.871 1.00 0.00 H new ATOM 1271 N GLU A 76 12.830 -11.469 -5.256 1.00 0.00 N ATOM 1272 CA GLU A 76 12.980 -12.920 -5.277 1.00 0.00 C ATOM 1273 C GLU A 76 14.426 -13.313 -5.563 1.00 0.00 C ATOM 1274 O GLU A 76 14.854 -14.424 -5.244 1.00 0.00 O ATOM 1275 CB GLU A 76 12.055 -13.535 -6.329 1.00 0.00 C ATOM 1276 CG GLU A 76 12.586 -13.420 -7.748 1.00 0.00 C ATOM 1277 CD GLU A 76 13.506 -14.565 -8.121 1.00 0.00 C ATOM 1278 OE1 GLU A 76 13.263 -15.697 -7.652 1.00 0.00 O ATOM 1279 OE2 GLU A 76 14.469 -14.331 -8.881 1.00 0.00 O ATOM 0 H GLU A 76 12.144 -11.106 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 76 12.705 -13.303 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.899 -14.588 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.081 -13.048 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.748 -13.391 -8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.123 -12.478 -7.856 1.00 0.00 H new ATOM 1286 N LEU A 77 15.174 -12.396 -6.166 1.00 0.00 N ATOM 1287 CA LEU A 77 16.573 -12.647 -6.496 1.00 0.00 C ATOM 1288 C LEU A 77 17.357 -13.074 -5.259 1.00 0.00 C ATOM 1289 O LEU A 77 18.239 -13.930 -5.336 1.00 0.00 O ATOM 1290 CB LEU A 77 17.205 -11.394 -7.107 1.00 0.00 C ATOM 1291 CG LEU A 77 18.005 -11.605 -8.393 1.00 0.00 C ATOM 1292 CD1 LEU A 77 19.194 -12.518 -8.139 1.00 0.00 C ATOM 1293 CD2 LEU A 77 17.114 -12.177 -9.486 1.00 0.00 C ATOM 0 H LEU A 77 14.836 -11.472 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 77 16.609 -13.458 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.412 -10.674 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.863 -10.944 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 77 18.382 -10.638 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.751 -12.656 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.844 -12.068 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.840 -13.485 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.699 -12.321 -10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.708 -13.135 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.296 -11.486 -9.687 1.00 0.00 H new ATOM 1305 N LEU A 78 17.027 -12.475 -4.120 1.00 0.00 N ATOM 1306 CA LEU A 78 17.698 -12.796 -2.865 1.00 0.00 C ATOM 1307 C LEU A 78 17.382 -14.222 -2.428 1.00 0.00 C ATOM 1308 O LEU A 78 18.116 -14.817 -1.637 1.00 0.00 O ATOM 1309 CB LEU A 78 17.278 -11.810 -1.774 1.00 0.00 C ATOM 1310 CG LEU A 78 18.206 -10.614 -1.556 1.00 0.00 C ATOM 1311 CD1 LEU A 78 19.503 -11.058 -0.898 1.00 0.00 C ATOM 1312 CD2 LEU A 78 18.489 -9.911 -2.875 1.00 0.00 C ATOM 0 H LEU A 78 16.299 -11.765 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 78 18.773 -12.715 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 78 16.284 -11.434 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 78 17.193 -12.354 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 78 17.708 -9.909 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 78 20.151 -10.194 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.284 -11.516 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.006 -11.783 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.151 -9.063 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 78 18.966 -10.608 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.553 -9.558 -3.307 1.00 0.00 H new ATOM 1324 N HIS A 79 16.287 -14.767 -2.949 1.00 0.00 N ATOM 1325 CA HIS A 79 15.876 -16.126 -2.614 1.00 0.00 C ATOM 1326 C HIS A 79 16.575 -17.142 -3.511 1.00 0.00 C ATOM 1327 O HIS A 79 16.959 -18.221 -3.062 1.00 0.00 O ATOM 1328 CB HIS A 79 14.359 -16.269 -2.747 1.00 0.00 C ATOM 1329 CG HIS A 79 13.868 -17.667 -2.527 1.00 0.00 C ATOM 1330 ND1 HIS A 79 13.101 -18.348 -3.447 1.00 0.00 N ATOM 1331 CD2 HIS A 79 14.041 -18.512 -1.484 1.00 0.00 C ATOM 1332 CE1 HIS A 79 12.821 -19.552 -2.980 1.00 0.00 C ATOM 1333 NE2 HIS A 79 13.381 -19.676 -1.790 1.00 0.00 N ATOM 0 H HIS A 79 15.669 -14.289 -3.604 1.00 0.00 H new ATOM 0 HA HIS A 79 16.163 -16.322 -1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.875 -15.606 -2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.057 -15.939 -3.741 1.00 0.00 H new ATOM 0 HD2 HIS A 79 14.595 -18.308 -0.580 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.235 -20.306 -3.485 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.331 -20.503 -1.195 1.00 0.00 H new ATOM 1341 N ALA A 80 16.736 -16.789 -4.783 1.00 0.00 N ATOM 1342 CA ALA A 80 17.390 -17.670 -5.743 1.00 0.00 C ATOM 1343 C ALA A 80 18.748 -18.133 -5.226 1.00 0.00 C ATOM 1344 O ALA A 80 19.077 -19.317 -5.290 1.00 0.00 O ATOM 1345 CB ALA A 80 17.545 -16.967 -7.083 1.00 0.00 C ATOM 0 H ALA A 80 16.423 -15.900 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 80 16.762 -18.551 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.035 -17.636 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.562 -16.691 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.149 -16.069 -6.955 1.00 0.00 H new ATOM 1351 N ALA A 81 19.534 -17.191 -4.714 1.00 0.00 N ATOM 1352 CA ALA A 81 20.856 -17.503 -4.186 1.00 0.00 C ATOM 1353 C ALA A 81 20.785 -18.629 -3.159 1.00 0.00 C ATOM 1354 O ALA A 81 21.745 -19.378 -2.979 1.00 0.00 O ATOM 1355 CB ALA A 81 21.484 -16.262 -3.568 1.00 0.00 C ATOM 0 H ALA A 81 19.278 -16.206 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 81 21.481 -17.839 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 81 22.471 -16.510 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.578 -15.486 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.853 -15.901 -2.756 1.00 0.00 H new ATOM 1361 N ARG A 82 19.643 -18.741 -2.489 1.00 0.00 N ATOM 1362 CA ARG A 82 19.448 -19.774 -1.479 1.00 0.00 C ATOM 1363 C ARG A 82 19.424 -21.160 -2.117 1.00 0.00 C ATOM 1364 O ARG A 82 20.106 -22.078 -1.659 1.00 0.00 O ATOM 1365 CB ARG A 82 18.146 -19.531 -0.714 1.00 0.00 C ATOM 1366 CG ARG A 82 17.998 -18.107 -0.202 1.00 0.00 C ATOM 1367 CD ARG A 82 19.121 -17.740 0.755 1.00 0.00 C ATOM 1368 NE ARG A 82 19.338 -18.771 1.766 1.00 0.00 N ATOM 1369 CZ ARG A 82 18.576 -18.914 2.845 1.00 0.00 C ATOM 1370 NH1 ARG A 82 17.553 -18.097 3.052 1.00 0.00 N ATOM 1371 NH2 ARG A 82 18.838 -19.877 3.720 1.00 0.00 N ATOM 0 H ARG A 82 18.839 -18.129 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 82 20.285 -19.727 -0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.303 -19.764 -1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.096 -20.219 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.995 -17.415 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.038 -17.999 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.041 -17.586 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.885 -16.796 1.245 1.00 0.00 H new ATOM 0 HE ARG A 82 20.117 -19.417 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.349 -17.356 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.970 -18.210 3.881 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.625 -20.507 3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.253 -19.987 4.548 1.00 0.00 H new ATOM 1385 N LEU A 83 18.635 -21.305 -3.176 1.00 0.00 N ATOM 1386 CA LEU A 83 18.521 -22.579 -3.877 1.00 0.00 C ATOM 1387 C LEU A 83 19.582 -22.697 -4.967 1.00 0.00 C ATOM 1388 O LEU A 83 19.578 -23.647 -5.750 1.00 0.00 O ATOM 1389 CB LEU A 83 17.127 -22.725 -4.488 1.00 0.00 C ATOM 1390 CG LEU A 83 16.724 -24.137 -4.913 1.00 0.00 C ATOM 1391 CD1 LEU A 83 16.027 -24.860 -3.771 1.00 0.00 C ATOM 1392 CD2 LEU A 83 15.828 -24.090 -6.142 1.00 0.00 C ATOM 0 H LEU A 83 18.065 -20.556 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 83 18.679 -23.379 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.396 -22.362 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.064 -22.073 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 83 17.628 -24.690 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.748 -25.863 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.701 -24.927 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.132 -24.309 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.551 -25.104 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.928 -23.519 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.362 -23.613 -6.964 1.00 0.00 H new ATOM 1404 N ALA A 84 20.489 -21.727 -5.010 1.00 0.00 N ATOM 1405 CA ALA A 84 21.558 -21.725 -6.001 1.00 0.00 C ATOM 1406 C ALA A 84 22.912 -21.986 -5.350 1.00 0.00 C ATOM 1407 O ALA A 84 23.896 -22.273 -6.032 1.00 0.00 O ATOM 1408 CB ALA A 84 21.578 -20.401 -6.752 1.00 0.00 C ATOM 0 H ALA A 84 20.505 -20.933 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 84 21.364 -22.530 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.381 -20.413 -7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.623 -20.255 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.744 -19.586 -6.048 1.00 0.00 H new ATOM 1414 N LYS A 85 22.955 -21.885 -4.025 1.00 0.00 N ATOM 1415 CA LYS A 85 24.188 -22.111 -3.280 1.00 0.00 C ATOM 1416 C LYS A 85 25.226 -21.043 -3.608 1.00 0.00 C ATOM 1417 O LYS A 85 26.426 -21.313 -3.616 1.00 0.00 O ATOM 1418 CB LYS A 85 24.751 -23.499 -3.596 1.00 0.00 C ATOM 1419 CG LYS A 85 23.703 -24.597 -3.589 1.00 0.00 C ATOM 1420 CD LYS A 85 23.131 -24.814 -2.198 1.00 0.00 C ATOM 1421 CE LYS A 85 24.194 -25.312 -1.230 1.00 0.00 C ATOM 1422 NZ LYS A 85 24.897 -26.517 -1.751 1.00 0.00 N ATOM 0 H LYS A 85 22.150 -21.648 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 85 23.957 -22.052 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 85 25.231 -23.473 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 85 25.525 -23.742 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.899 -24.338 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 85 24.145 -25.525 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.709 -23.880 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.315 -25.535 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.919 -24.519 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.731 -25.547 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.409 -26.983 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.202 -27.178 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 25.572 -26.233 -2.489 1.00 0.00 H new ATOM 1436 N GLN A 86 24.755 -19.829 -3.876 1.00 0.00 N ATOM 1437 CA GLN A 86 25.643 -18.721 -4.204 1.00 0.00 C ATOM 1438 C GLN A 86 25.120 -17.413 -3.619 1.00 0.00 C ATOM 1439 O GLN A 86 24.084 -17.389 -2.956 1.00 0.00 O ATOM 1440 CB GLN A 86 25.793 -18.591 -5.721 1.00 0.00 C ATOM 1441 CG GLN A 86 25.694 -19.917 -6.458 1.00 0.00 C ATOM 1442 CD GLN A 86 26.299 -19.859 -7.847 1.00 0.00 C ATOM 1443 OE1 GLN A 86 25.659 -20.233 -8.830 1.00 0.00 O ATOM 1444 NE2 GLN A 86 27.537 -19.388 -7.935 1.00 0.00 N ATOM 0 H GLN A 86 23.764 -19.588 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 86 26.619 -18.929 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 86 25.023 -17.917 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 86 26.756 -18.132 -5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 86 26.199 -20.689 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 86 24.647 -20.209 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 86 28.030 -19.089 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 86 27.995 -19.325 -8.844 1.00 0.00 H new ATOM 1453 N ASN A 87 25.845 -16.327 -3.869 1.00 0.00 N ATOM 1454 CA ASN A 87 25.454 -15.015 -3.366 1.00 0.00 C ATOM 1455 C ASN A 87 24.255 -14.472 -4.138 1.00 0.00 C ATOM 1456 O ASN A 87 23.999 -14.848 -5.282 1.00 0.00 O ATOM 1457 CB ASN A 87 26.626 -14.037 -3.469 1.00 0.00 C ATOM 1458 CG ASN A 87 27.256 -13.747 -2.120 1.00 0.00 C ATOM 1459 OD1 ASN A 87 26.590 -13.800 -1.086 1.00 0.00 O ATOM 1460 ND2 ASN A 87 28.548 -13.438 -2.125 1.00 0.00 N ATOM 0 H ASN A 87 26.706 -16.330 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 87 25.171 -15.124 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 87 27.381 -14.448 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 87 26.279 -13.104 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 87 29.027 -13.233 -1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 87 29.061 -13.406 -3.006 1.00 0.00 H new ATOM 1467 N PRO A 88 23.501 -13.565 -3.498 1.00 0.00 N ATOM 1468 CA PRO A 88 22.317 -12.950 -4.106 1.00 0.00 C ATOM 1469 C PRO A 88 22.677 -11.995 -5.239 1.00 0.00 C ATOM 1470 O PRO A 88 21.956 -11.895 -6.231 1.00 0.00 O ATOM 1471 CB PRO A 88 21.680 -12.184 -2.944 1.00 0.00 C ATOM 1472 CG PRO A 88 22.808 -11.902 -2.012 1.00 0.00 C ATOM 1473 CD PRO A 88 23.747 -13.070 -2.133 1.00 0.00 C ATOM 0 HA PRO A 88 21.659 -13.692 -4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 88 21.211 -11.262 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.904 -12.775 -2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 88 23.308 -10.970 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.450 -11.793 -0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 88 24.785 -12.767 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.537 -13.834 -1.384 1.00 0.00 H new ATOM 1481 N ALA A 89 23.797 -11.296 -5.085 1.00 0.00 N ATOM 1482 CA ALA A 89 24.253 -10.352 -6.097 1.00 0.00 C ATOM 1483 C ALA A 89 25.223 -11.015 -7.069 1.00 0.00 C ATOM 1484 O ALA A 89 25.452 -10.513 -8.170 1.00 0.00 O ATOM 1485 CB ALA A 89 24.906 -9.146 -5.437 1.00 0.00 C ATOM 0 H ALA A 89 24.405 -11.366 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 89 23.384 -10.017 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 89 25.242 -8.449 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 89 24.184 -8.651 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 89 25.761 -9.474 -4.845 1.00 0.00 H new ATOM 1491 N GLN A 90 25.789 -12.144 -6.655 1.00 0.00 N ATOM 1492 CA GLN A 90 26.735 -12.874 -7.490 1.00 0.00 C ATOM 1493 C GLN A 90 26.034 -13.985 -8.264 1.00 0.00 C ATOM 1494 O GLN A 90 26.579 -14.526 -9.226 1.00 0.00 O ATOM 1495 CB GLN A 90 27.857 -13.463 -6.632 1.00 0.00 C ATOM 1496 CG GLN A 90 28.419 -12.486 -5.612 1.00 0.00 C ATOM 1497 CD GLN A 90 29.115 -11.304 -6.258 1.00 0.00 C ATOM 1498 OE1 GLN A 90 28.475 -10.322 -6.636 1.00 0.00 O ATOM 1499 NE2 GLN A 90 30.433 -11.392 -6.387 1.00 0.00 N ATOM 0 H GLN A 90 25.609 -12.573 -5.747 1.00 0.00 H new ATOM 0 HA GLN A 90 27.165 -12.173 -8.206 1.00 0.00 H new ATOM 0 HB2 GLN A 90 27.481 -14.343 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 90 28.663 -13.799 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 90 27.610 -12.124 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 90 29.123 -13.008 -4.964 1.00 0.00 H new ATOM 0 HE21 GLN A 90 30.923 -12.225 -6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 90 30.956 -10.627 -6.813 1.00 0.00 H new ATOM 1508 N TYR A 91 24.822 -14.322 -7.837 1.00 0.00 N ATOM 1509 CA TYR A 91 24.046 -15.372 -8.487 1.00 0.00 C ATOM 1510 C TYR A 91 23.972 -15.140 -9.993 1.00 0.00 C ATOM 1511 O TYR A 91 23.987 -16.086 -10.781 1.00 0.00 O ATOM 1512 CB TYR A 91 22.636 -15.432 -7.899 1.00 0.00 C ATOM 1513 CG TYR A 91 21.693 -16.322 -8.676 1.00 0.00 C ATOM 1514 CD1 TYR A 91 22.095 -17.578 -9.115 1.00 0.00 C ATOM 1515 CD2 TYR A 91 20.400 -15.909 -8.971 1.00 0.00 C ATOM 1516 CE1 TYR A 91 21.237 -18.395 -9.825 1.00 0.00 C ATOM 1517 CE2 TYR A 91 19.534 -16.719 -9.680 1.00 0.00 C ATOM 1518 CZ TYR A 91 19.958 -17.961 -10.105 1.00 0.00 C ATOM 1519 OH TYR A 91 19.100 -18.772 -10.812 1.00 0.00 O ATOM 0 H TYR A 91 24.355 -13.883 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 91 24.547 -16.323 -8.308 1.00 0.00 H new ATOM 0 HB2 TYR A 91 22.695 -15.789 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 91 22.223 -14.424 -7.863 1.00 0.00 H new ATOM 0 HD1 TYR A 91 23.096 -17.921 -8.897 1.00 0.00 H new ATOM 0 HD2 TYR A 91 20.066 -14.937 -8.640 1.00 0.00 H new ATOM 0 HE1 TYR A 91 21.566 -19.368 -10.159 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.532 -16.382 -9.900 1.00 0.00 H new ATOM 0 HH TYR A 91 18.238 -18.319 -10.923 1.00 0.00 H new ATOM 1529 N LEU A 92 23.892 -13.873 -10.387 1.00 0.00 N ATOM 1530 CA LEU A 92 23.816 -13.514 -11.799 1.00 0.00 C ATOM 1531 C LEU A 92 25.210 -13.358 -12.397 1.00 0.00 C ATOM 1532 O LEU A 92 25.505 -13.901 -13.461 1.00 0.00 O ATOM 1533 CB LEU A 92 23.025 -12.216 -11.973 1.00 0.00 C ATOM 1534 CG LEU A 92 22.832 -11.737 -13.412 1.00 0.00 C ATOM 1535 CD1 LEU A 92 24.057 -10.972 -13.889 1.00 0.00 C ATOM 1536 CD2 LEU A 92 22.544 -12.914 -14.333 1.00 0.00 C ATOM 0 H LEU A 92 23.878 -13.078 -9.748 1.00 0.00 H new ATOM 0 HA LEU A 92 23.303 -14.318 -12.326 1.00 0.00 H new ATOM 0 HB2 LEU A 92 22.042 -12.349 -11.520 1.00 0.00 H new ATOM 0 HB3 LEU A 92 23.530 -11.428 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 92 21.975 -11.064 -13.438 1.00 0.00 H new ATOM 0 HD11 LEU A 92 23.901 -10.639 -14.915 1.00 0.00 H new ATOM 0 HD12 LEU A 92 24.218 -10.106 -13.247 1.00 0.00 H new ATOM 0 HD13 LEU A 92 24.931 -11.622 -13.847 1.00 0.00 H new ATOM 0 HD21 LEU A 92 22.410 -12.554 -15.353 1.00 0.00 H new ATOM 0 HD22 LEU A 92 23.380 -13.613 -14.302 1.00 0.00 H new ATOM 0 HD23 LEU A 92 21.636 -13.420 -14.004 1.00 0.00 H new