USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 ASN : amide:sc= -2.71! K(o=-2.7!,f=-0.025) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.27! C(o=-1.4!,f=-2.2!) USER MOD Set 2.2: A 20 LYS NZ :NH3+ 140:sc= -0.144 (180deg=0) USER MOD Single : A 15 ASN : amide:sc=-0.00312 K(o=-0.0031,f=-1.8!) USER MOD Single : A 22 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 24 TYR OH : rot -90:sc= -3.26! USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0103 (180deg=-0.335) USER MOD Single : A 27 HIS : no HE2:sc= -3.31! C(o=-3.3!,f=-4.8!) USER MOD Single : A 28 ASN : amide:sc= -4.03! C(o=-4!,f=-9.4!) USER MOD Single : A 33 ASN : amide:sc= -0.0128 K(o=-0.013,f=-0.92) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -44:sc= 0.223 USER MOD Single : A 43 ASN : amide:sc= -3.46! K(o=-3.5!,f=-1.2) USER MOD Single : A 48 SER OG : rot 150:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.0775 K(o=-0.077,f=-2.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1.9!) USER MOD Single : A 60 SER OG : rot 72:sc= 0.844 USER MOD Single : A 62 THR OG1 : rot -67:sc= 1.27 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 115:sc= 1.22 USER MOD Single : A 73 SER OG : rot 180:sc= 0.242 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= -0.869 (180deg=-1.1) USER MOD Single : A 79 MET CE :methyl -175:sc= -0.209 (180deg=-0.27) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= -0.046 (180deg=-0.368) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -9.232 9.855 -11.713 1.00 0.00 N ATOM 12 CA PHE A 13 -9.612 9.479 -10.321 1.00 0.00 C ATOM 13 C PHE A 13 -8.554 8.543 -9.736 1.00 0.00 C ATOM 14 O PHE A 13 -8.360 8.485 -8.537 1.00 0.00 O ATOM 15 CB PHE A 13 -10.968 8.763 -10.341 1.00 0.00 C ATOM 16 CG PHE A 13 -12.051 9.746 -10.726 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.577 10.616 -9.764 1.00 0.00 C ATOM 18 CD2 PHE A 13 -12.528 9.787 -12.043 1.00 0.00 C ATOM 19 CE1 PHE A 13 -13.579 11.528 -10.117 1.00 0.00 C ATOM 20 CE2 PHE A 13 -13.532 10.698 -12.395 1.00 0.00 C ATOM 21 CZ PHE A 13 -14.056 11.570 -11.433 1.00 0.00 C ATOM 0 HA PHE A 13 -9.680 10.378 -9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.944 7.936 -11.050 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.181 8.337 -9.361 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.210 10.584 -8.749 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.122 9.117 -12.786 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.984 12.199 -9.374 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.902 10.728 -13.409 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.828 12.275 -11.706 1.00 0.00 H new ATOM 31 N PHE A 14 -7.885 7.803 -10.580 1.00 0.00 N ATOM 32 CA PHE A 14 -6.843 6.844 -10.103 1.00 0.00 C ATOM 33 C PHE A 14 -5.750 7.599 -9.347 1.00 0.00 C ATOM 34 O PHE A 14 -5.225 7.115 -8.363 1.00 0.00 O ATOM 35 CB PHE A 14 -6.212 6.135 -11.310 1.00 0.00 C ATOM 36 CG PHE A 14 -7.226 5.213 -11.945 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.368 3.902 -11.472 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.026 5.665 -13.003 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.308 3.045 -12.056 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.967 4.806 -13.585 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.108 3.497 -13.112 1.00 0.00 C ATOM 0 H PHE A 14 -8.017 7.822 -11.591 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.308 6.113 -9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.869 6.870 -12.038 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.337 5.567 -10.994 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.752 3.553 -10.657 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.917 6.675 -13.369 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.416 2.034 -11.692 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.584 5.155 -14.400 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.834 2.835 -13.561 1.00 0.00 H new ATOM 51 N ASN A 15 -5.401 8.772 -9.806 1.00 0.00 N ATOM 52 CA ASN A 15 -4.333 9.561 -9.128 1.00 0.00 C ATOM 53 C ASN A 15 -4.774 9.898 -7.705 1.00 0.00 C ATOM 54 O ASN A 15 -3.992 9.843 -6.773 1.00 0.00 O ATOM 55 CB ASN A 15 -4.093 10.865 -9.903 1.00 0.00 C ATOM 56 CG ASN A 15 -3.393 10.554 -11.226 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.812 9.499 -11.385 1.00 0.00 O ATOM 58 ND2 ASN A 15 -3.420 11.436 -12.187 1.00 0.00 N ATOM 0 H ASN A 15 -5.812 9.219 -10.625 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.414 8.976 -9.098 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.042 11.368 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.484 11.546 -9.309 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.953 11.240 -13.072 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.908 12.322 -12.053 1.00 0.00 H new ATOM 65 N GLU A 16 -6.021 10.248 -7.540 1.00 0.00 N ATOM 66 CA GLU A 16 -6.541 10.601 -6.188 1.00 0.00 C ATOM 67 C GLU A 16 -6.530 9.361 -5.298 1.00 0.00 C ATOM 68 O GLU A 16 -6.227 9.436 -4.121 1.00 0.00 O ATOM 69 CB GLU A 16 -7.981 11.113 -6.315 1.00 0.00 C ATOM 70 CG GLU A 16 -7.986 12.462 -7.037 1.00 0.00 C ATOM 71 CD GLU A 16 -9.430 12.943 -7.217 1.00 0.00 C ATOM 72 OE1 GLU A 16 -10.328 12.232 -6.797 1.00 0.00 O ATOM 73 OE2 GLU A 16 -9.609 14.015 -7.771 1.00 0.00 O ATOM 0 H GLU A 16 -6.708 10.305 -8.292 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.911 11.374 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.586 10.393 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.429 11.217 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.417 13.194 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.500 12.368 -8.008 1.00 0.00 H new ATOM 80 N GLN A 17 -6.876 8.230 -5.854 1.00 0.00 N ATOM 81 CA GLN A 17 -6.910 6.966 -5.063 1.00 0.00 C ATOM 82 C GLN A 17 -5.497 6.612 -4.595 1.00 0.00 C ATOM 83 O GLN A 17 -5.300 6.166 -3.479 1.00 0.00 O ATOM 84 CB GLN A 17 -7.449 5.826 -5.946 1.00 0.00 C ATOM 85 CG GLN A 17 -8.914 6.088 -6.312 1.00 0.00 C ATOM 86 CD GLN A 17 -9.777 6.061 -5.049 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.694 5.138 -4.263 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.606 7.041 -4.821 1.00 0.00 N ATOM 0 H GLN A 17 -7.139 8.128 -6.834 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.557 7.101 -4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.849 5.744 -6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.362 4.876 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.007 7.055 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.262 5.334 -7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.675 7.815 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.186 7.034 -3.982 1.00 0.00 H new ATOM 97 N LYS A 18 -4.525 6.801 -5.448 1.00 0.00 N ATOM 98 CA LYS A 18 -3.108 6.477 -5.098 1.00 0.00 C ATOM 99 C LYS A 18 -2.632 7.354 -3.939 1.00 0.00 C ATOM 100 O LYS A 18 -1.956 6.889 -3.041 1.00 0.00 O ATOM 101 CB LYS A 18 -2.218 6.734 -6.322 1.00 0.00 C ATOM 102 CG LYS A 18 -2.466 5.651 -7.375 1.00 0.00 C ATOM 103 CD LYS A 18 -1.592 5.918 -8.605 1.00 0.00 C ATOM 104 CE LYS A 18 -1.825 4.821 -9.648 1.00 0.00 C ATOM 105 NZ LYS A 18 -0.991 5.090 -10.856 1.00 0.00 N ATOM 0 H LYS A 18 -4.654 7.173 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.046 5.431 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.433 7.718 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.169 6.735 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.238 4.669 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.518 5.641 -7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.831 6.893 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.541 5.944 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.571 3.847 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.879 4.785 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.152 4.343 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.253 6.011 -11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.014 5.103 -10.588 1.00 0.00 H new ATOM 119 N GLU A 19 -2.970 8.615 -3.966 1.00 0.00 N ATOM 120 CA GLU A 19 -2.535 9.545 -2.883 1.00 0.00 C ATOM 121 C GLU A 19 -3.185 9.142 -1.561 1.00 0.00 C ATOM 122 O GLU A 19 -2.535 9.078 -0.535 1.00 0.00 O ATOM 123 CB GLU A 19 -2.975 10.971 -3.241 1.00 0.00 C ATOM 124 CG GLU A 19 -2.173 11.462 -4.445 1.00 0.00 C ATOM 125 CD GLU A 19 -2.641 12.863 -4.847 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.549 13.371 -4.209 1.00 0.00 O ATOM 127 OE2 GLU A 19 -2.081 13.405 -5.786 1.00 0.00 O ATOM 0 H GLU A 19 -3.534 9.045 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.451 9.499 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.041 10.988 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.820 11.636 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.111 11.480 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.298 10.774 -5.281 1.00 0.00 H new ATOM 134 N LYS A 20 -4.464 8.882 -1.589 1.00 0.00 N ATOM 135 CA LYS A 20 -5.196 8.493 -0.350 1.00 0.00 C ATOM 136 C LYS A 20 -4.693 7.142 0.158 1.00 0.00 C ATOM 137 O LYS A 20 -4.495 6.952 1.342 1.00 0.00 O ATOM 138 CB LYS A 20 -6.690 8.385 -0.664 1.00 0.00 C ATOM 139 CG LYS A 20 -7.250 9.778 -0.963 1.00 0.00 C ATOM 140 CD LYS A 20 -8.771 9.697 -1.138 1.00 0.00 C ATOM 141 CE LYS A 20 -9.109 8.990 -2.455 1.00 0.00 C ATOM 142 NZ LYS A 20 -10.536 9.237 -2.802 1.00 0.00 N ATOM 0 H LYS A 20 -5.040 8.923 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.026 9.249 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.846 7.727 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.219 7.942 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.004 10.462 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.791 10.179 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.214 9.156 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.200 10.699 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.462 9.355 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.927 7.919 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.621 9.399 -3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.107 8.410 -2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.878 10.075 -2.289 1.00 0.00 H new ATOM 156 N VAL A 21 -4.501 6.205 -0.733 1.00 0.00 N ATOM 157 CA VAL A 21 -4.024 4.852 -0.326 1.00 0.00 C ATOM 158 C VAL A 21 -2.609 4.962 0.239 1.00 0.00 C ATOM 159 O VAL A 21 -2.287 4.358 1.244 1.00 0.00 O ATOM 160 CB VAL A 21 -4.021 3.925 -1.553 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.309 2.613 -1.206 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.469 3.626 -1.964 1.00 0.00 C ATOM 0 H VAL A 21 -4.656 6.321 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.686 4.442 0.437 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.498 4.412 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.308 1.958 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.281 2.824 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.830 2.123 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.472 2.969 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.988 3.138 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.977 4.558 -2.212 1.00 0.00 H new ATOM 172 N THR A 22 -1.767 5.718 -0.413 1.00 0.00 N ATOM 173 CA THR A 22 -0.364 5.873 0.058 1.00 0.00 C ATOM 174 C THR A 22 -0.364 6.518 1.440 1.00 0.00 C ATOM 175 O THR A 22 0.338 6.084 2.334 1.00 0.00 O ATOM 176 CB THR A 22 0.403 6.768 -0.928 1.00 0.00 C ATOM 177 OG1 THR A 22 0.450 6.131 -2.198 1.00 0.00 O ATOM 178 CG2 THR A 22 1.827 6.993 -0.417 1.00 0.00 C ATOM 0 H THR A 22 -1.995 6.239 -1.260 1.00 0.00 H new ATOM 0 HA THR A 22 0.117 4.896 0.114 1.00 0.00 H new ATOM 0 HB THR A 22 -0.103 7.729 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.281 6.465 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.369 7.628 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.791 7.478 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.337 6.034 -0.327 1.00 0.00 H new ATOM 186 N LEU A 23 -1.142 7.552 1.616 1.00 0.00 N ATOM 187 CA LEU A 23 -1.194 8.239 2.931 1.00 0.00 C ATOM 188 C LEU A 23 -1.732 7.283 3.990 1.00 0.00 C ATOM 189 O LEU A 23 -1.221 7.216 5.094 1.00 0.00 O ATOM 190 CB LEU A 23 -2.119 9.464 2.833 1.00 0.00 C ATOM 191 CG LEU A 23 -2.262 10.117 4.215 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.874 10.464 4.773 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.101 11.392 4.089 1.00 0.00 C ATOM 0 H LEU A 23 -1.747 7.950 0.898 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.190 8.559 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.713 10.182 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.098 9.164 2.459 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.755 9.422 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.982 10.927 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.281 9.554 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.373 11.157 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.204 11.858 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.609 12.086 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.088 11.141 3.701 1.00 0.00 H new ATOM 205 N TYR A 24 -2.769 6.557 3.663 1.00 0.00 N ATOM 206 CA TYR A 24 -3.368 5.605 4.638 1.00 0.00 C ATOM 207 C TYR A 24 -2.335 4.542 5.004 1.00 0.00 C ATOM 208 O TYR A 24 -2.138 4.229 6.161 1.00 0.00 O ATOM 209 CB TYR A 24 -4.595 4.931 4.006 1.00 0.00 C ATOM 210 CG TYR A 24 -5.133 3.876 4.947 1.00 0.00 C ATOM 211 CD1 TYR A 24 -6.050 4.227 5.945 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.706 2.548 4.828 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.540 3.253 6.823 1.00 0.00 C ATOM 214 CE2 TYR A 24 -5.198 1.573 5.704 1.00 0.00 C ATOM 215 CZ TYR A 24 -6.114 1.926 6.703 1.00 0.00 C ATOM 216 OH TYR A 24 -6.594 0.966 7.570 1.00 0.00 O ATOM 0 H TYR A 24 -3.229 6.585 2.753 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.672 6.143 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.365 5.674 3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.323 4.478 3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.380 5.251 6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.997 2.276 4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.247 3.526 7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.871 0.548 5.609 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.011 0.915 8.356 1.00 0.00 H new ATOM 226 N LEU A 25 -1.684 3.988 4.019 1.00 0.00 N ATOM 227 CA LEU A 25 -0.662 2.934 4.275 1.00 0.00 C ATOM 228 C LEU A 25 0.500 3.519 5.074 1.00 0.00 C ATOM 229 O LEU A 25 1.034 2.880 5.960 1.00 0.00 O ATOM 230 CB LEU A 25 -0.137 2.407 2.931 1.00 0.00 C ATOM 231 CG LEU A 25 -1.244 1.613 2.220 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.832 1.339 0.768 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.481 0.275 2.944 1.00 0.00 C ATOM 0 H LEU A 25 -1.818 4.224 3.036 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.115 2.122 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.188 3.238 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.733 1.771 3.093 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.164 2.198 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.619 0.776 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.676 2.285 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.092 0.761 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.267 -0.281 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.561 -0.310 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.783 0.467 3.974 1.00 0.00 H new ATOM 245 N LYS A 26 0.901 4.717 4.746 1.00 0.00 N ATOM 246 CA LYS A 26 2.048 5.358 5.453 1.00 0.00 C ATOM 247 C LYS A 26 1.746 5.485 6.946 1.00 0.00 C ATOM 248 O LYS A 26 2.578 5.180 7.779 1.00 0.00 O ATOM 249 CB LYS A 26 2.280 6.759 4.865 1.00 0.00 C ATOM 250 CG LYS A 26 3.528 7.379 5.502 1.00 0.00 C ATOM 251 CD LYS A 26 3.823 8.735 4.851 1.00 0.00 C ATOM 252 CE LYS A 26 5.087 9.342 5.470 1.00 0.00 C ATOM 253 NZ LYS A 26 4.823 9.686 6.896 1.00 0.00 N ATOM 0 H LYS A 26 0.479 5.285 4.011 1.00 0.00 H new ATOM 0 HA LYS A 26 2.937 4.742 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.404 6.696 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.412 7.391 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.376 7.505 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.381 6.712 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.956 8.612 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.978 9.409 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.914 8.635 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.383 10.234 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.553 10.345 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.888 10.133 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.844 8.820 7.472 1.00 0.00 H new ATOM 267 N HIS A 27 0.573 5.942 7.287 1.00 0.00 N ATOM 268 CA HIS A 27 0.214 6.110 8.725 1.00 0.00 C ATOM 269 C HIS A 27 -0.011 4.745 9.386 1.00 0.00 C ATOM 270 O HIS A 27 0.279 4.566 10.553 1.00 0.00 O ATOM 271 CB HIS A 27 -1.062 6.961 8.838 1.00 0.00 C ATOM 272 CG HIS A 27 -0.727 8.407 8.569 1.00 0.00 C ATOM 273 ND1 HIS A 27 0.330 9.050 9.196 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.295 9.344 7.742 1.00 0.00 C ATOM 275 CE1 HIS A 27 0.366 10.314 8.736 1.00 0.00 C ATOM 276 NE2 HIS A 27 -0.603 10.547 7.848 1.00 0.00 N ATOM 0 H HIS A 27 -0.158 6.208 6.627 1.00 0.00 H new ATOM 0 HA HIS A 27 1.035 6.612 9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.810 6.611 8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.495 6.856 9.833 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.964 8.639 9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.150 9.173 7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.091 11.051 9.048 1.00 0.00 H new ATOM 284 N ASN A 28 -0.534 3.787 8.662 1.00 0.00 N ATOM 285 CA ASN A 28 -0.786 2.440 9.263 1.00 0.00 C ATOM 286 C ASN A 28 0.474 1.596 9.147 1.00 0.00 C ATOM 287 O ASN A 28 0.520 0.473 9.616 1.00 0.00 O ATOM 288 CB ASN A 28 -1.927 1.739 8.513 1.00 0.00 C ATOM 289 CG ASN A 28 -3.243 2.472 8.776 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.689 2.556 9.902 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.889 3.010 7.776 1.00 0.00 N ATOM 0 H ASN A 28 -0.797 3.879 7.681 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.061 2.561 10.311 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.716 1.722 7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.006 0.702 8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.768 3.501 7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.514 2.940 6.830 1.00 0.00 H new ATOM 298 N ILE A 29 1.502 2.129 8.533 1.00 0.00 N ATOM 299 CA ILE A 29 2.778 1.369 8.388 1.00 0.00 C ATOM 300 C ILE A 29 3.969 2.301 8.692 1.00 0.00 C ATOM 301 O ILE A 29 4.324 3.147 7.892 1.00 0.00 O ATOM 302 CB ILE A 29 2.904 0.819 6.974 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.651 0.000 6.647 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.139 -0.086 6.899 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.745 -0.529 5.215 1.00 0.00 C ATOM 0 H ILE A 29 1.510 3.064 8.124 1.00 0.00 H new ATOM 0 HA ILE A 29 2.778 0.536 9.091 1.00 0.00 H new ATOM 0 HB ILE A 29 3.006 1.637 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.554 -0.830 7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.760 0.618 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.237 -0.485 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.029 0.491 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.030 -0.909 7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.853 -1.112 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.822 0.309 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.627 -1.162 5.118 1.00 0.00 H new ATOM 317 N PRO A 30 4.578 2.152 9.847 1.00 0.00 N ATOM 318 CA PRO A 30 5.739 2.995 10.264 1.00 0.00 C ATOM 319 C PRO A 30 7.002 2.619 9.494 1.00 0.00 C ATOM 320 O PRO A 30 7.967 3.354 9.457 1.00 0.00 O ATOM 321 CB PRO A 30 5.889 2.686 11.759 1.00 0.00 C ATOM 322 CG PRO A 30 5.321 1.314 11.936 1.00 0.00 C ATOM 323 CD PRO A 30 4.240 1.151 10.877 1.00 0.00 C ATOM 0 HA PRO A 30 5.584 4.055 10.064 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.934 2.722 12.065 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.354 3.415 12.367 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.095 0.556 11.819 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.905 1.193 12.936 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.238 0.142 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.248 1.328 11.292 1.00 0.00 H new ATOM 331 N ASP A 31 6.990 1.464 8.888 1.00 0.00 N ATOM 332 CA ASP A 31 8.170 0.991 8.111 1.00 0.00 C ATOM 333 C ASP A 31 7.973 1.382 6.644 1.00 0.00 C ATOM 334 O ASP A 31 8.722 0.973 5.778 1.00 0.00 O ATOM 335 CB ASP A 31 8.274 -0.536 8.236 1.00 0.00 C ATOM 336 CG ASP A 31 8.552 -0.919 9.694 1.00 0.00 C ATOM 337 OD1 ASP A 31 8.972 -0.055 10.445 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.338 -2.072 10.033 1.00 0.00 O ATOM 0 H ASP A 31 6.200 0.818 8.899 1.00 0.00 H new ATOM 0 HA ASP A 31 9.085 1.443 8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.348 -1.002 7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.072 -0.909 7.594 1.00 0.00 H new ATOM 343 N PHE A 32 6.956 2.162 6.367 1.00 0.00 N ATOM 344 CA PHE A 32 6.672 2.583 4.965 1.00 0.00 C ATOM 345 C PHE A 32 7.885 3.276 4.361 1.00 0.00 C ATOM 346 O PHE A 32 8.500 4.135 4.962 1.00 0.00 O ATOM 347 CB PHE A 32 5.477 3.544 4.950 1.00 0.00 C ATOM 348 CG PHE A 32 5.083 3.826 3.519 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.664 4.900 2.831 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.139 3.013 2.879 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.302 5.158 1.503 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.776 3.273 1.552 1.00 0.00 C ATOM 353 CZ PHE A 32 4.359 4.345 0.866 1.00 0.00 C ATOM 0 H PHE A 32 6.305 2.527 7.063 1.00 0.00 H new ATOM 0 HA PHE A 32 6.441 1.697 4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.638 3.108 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.736 4.473 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.391 5.528 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.691 2.186 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.751 5.984 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.047 2.647 1.058 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.080 4.545 -0.158 1.00 0.00 H new ATOM 363 N ASN A 33 8.224 2.895 3.160 1.00 0.00 N ATOM 364 CA ASN A 33 9.393 3.498 2.457 1.00 0.00 C ATOM 365 C ASN A 33 9.000 3.793 1.009 1.00 0.00 C ATOM 366 O ASN A 33 9.185 4.889 0.519 1.00 0.00 O ATOM 367 CB ASN A 33 10.554 2.500 2.481 1.00 0.00 C ATOM 368 CG ASN A 33 11.823 3.168 1.950 1.00 0.00 C ATOM 369 OD1 ASN A 33 12.072 4.326 2.217 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.644 2.480 1.203 1.00 0.00 N ATOM 0 H ASN A 33 7.732 2.179 2.627 1.00 0.00 H new ATOM 0 HA ASN A 33 9.696 4.422 2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.718 2.144 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.309 1.629 1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.494 2.915 0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.436 1.507 0.978 1.00 0.00 H new ATOM 377 N THR A 34 8.455 2.818 0.324 1.00 0.00 N ATOM 378 CA THR A 34 8.046 3.026 -1.098 1.00 0.00 C ATOM 379 C THR A 34 6.831 2.160 -1.430 1.00 0.00 C ATOM 380 O THR A 34 6.577 1.145 -0.802 1.00 0.00 O ATOM 381 CB THR A 34 9.211 2.656 -2.018 1.00 0.00 C ATOM 382 OG1 THR A 34 8.775 2.691 -3.371 1.00 0.00 O ATOM 383 CG2 THR A 34 9.723 1.254 -1.676 1.00 0.00 C ATOM 0 H THR A 34 8.275 1.883 0.691 1.00 0.00 H new ATOM 0 HA THR A 34 7.780 4.073 -1.245 1.00 0.00 H new ATOM 0 HB THR A 34 10.021 3.372 -1.878 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.521 2.456 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.552 0.999 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.063 1.233 -0.641 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.918 0.531 -1.808 1.00 0.00 H new ATOM 391 N VAL A 35 6.081 2.569 -2.426 1.00 0.00 N ATOM 392 CA VAL A 35 4.867 1.806 -2.837 1.00 0.00 C ATOM 393 C VAL A 35 4.768 1.783 -4.359 1.00 0.00 C ATOM 394 O VAL A 35 5.048 2.759 -5.030 1.00 0.00 O ATOM 395 CB VAL A 35 3.619 2.478 -2.253 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.573 3.957 -2.652 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.364 1.771 -2.772 1.00 0.00 C ATOM 0 H VAL A 35 6.263 3.409 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 35 4.938 0.784 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 35 3.658 2.406 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.681 4.420 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.460 4.464 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.545 4.040 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.478 2.250 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.334 1.835 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.385 0.724 -2.471 1.00 0.00 H new ATOM 407 N THR A 36 4.364 0.662 -4.901 1.00 0.00 N ATOM 408 CA THR A 36 4.225 0.528 -6.385 1.00 0.00 C ATOM 409 C THR A 36 2.817 0.044 -6.723 1.00 0.00 C ATOM 410 O THR A 36 2.400 -1.032 -6.336 1.00 0.00 O ATOM 411 CB THR A 36 5.261 -0.467 -6.904 1.00 0.00 C ATOM 412 OG1 THR A 36 6.564 0.011 -6.594 1.00 0.00 O ATOM 413 CG2 THR A 36 5.114 -0.606 -8.420 1.00 0.00 C ATOM 0 H THR A 36 4.122 -0.176 -4.373 1.00 0.00 H new ATOM 0 HA THR A 36 4.391 1.495 -6.859 1.00 0.00 H new ATOM 0 HB THR A 36 5.107 -1.439 -6.434 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.233 -0.625 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.852 -1.316 -8.794 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.113 -0.966 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.272 0.364 -8.891 1.00 0.00 H new ATOM 421 N PHE A 37 2.092 0.849 -7.454 1.00 0.00 N ATOM 422 CA PHE A 37 0.700 0.494 -7.855 1.00 0.00 C ATOM 423 C PHE A 37 0.708 -0.129 -9.245 1.00 0.00 C ATOM 424 O PHE A 37 1.228 0.431 -10.190 1.00 0.00 O ATOM 425 CB PHE A 37 -0.165 1.757 -7.863 1.00 0.00 C ATOM 426 CG PHE A 37 -0.156 2.382 -6.488 1.00 0.00 C ATOM 427 CD1 PHE A 37 -0.998 1.882 -5.489 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.695 3.458 -6.212 1.00 0.00 C ATOM 429 CE1 PHE A 37 -0.991 2.459 -4.213 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.703 4.035 -4.936 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.141 3.535 -3.937 1.00 0.00 C ATOM 0 H PHE A 37 2.413 1.755 -7.796 1.00 0.00 H new ATOM 0 HA PHE A 37 0.290 -0.223 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.214 2.466 -8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.186 1.510 -8.155 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.654 1.051 -5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.346 3.843 -6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.642 2.073 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.360 4.865 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.136 3.980 -2.953 1.00 0.00 H new ATOM 441 N THR A 38 0.128 -1.292 -9.365 1.00 0.00 N ATOM 442 CA THR A 38 0.076 -1.990 -10.682 1.00 0.00 C ATOM 443 C THR A 38 -1.281 -1.709 -11.337 1.00 0.00 C ATOM 444 O THR A 38 -1.448 -1.883 -12.530 1.00 0.00 O ATOM 445 CB THR A 38 0.258 -3.495 -10.459 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.869 -4.024 -9.770 1.00 0.00 O ATOM 447 CG2 THR A 38 1.525 -3.741 -9.635 1.00 0.00 C ATOM 0 H THR A 38 -0.318 -1.795 -8.597 1.00 0.00 H new ATOM 0 HA THR A 38 0.871 -1.630 -11.335 1.00 0.00 H new ATOM 0 HB THR A 38 0.350 -3.991 -11.425 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.116 -3.422 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.654 -4.812 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.389 -3.347 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.435 -3.240 -8.671 1.00 0.00 H new ATOM 455 N ASN A 39 -2.236 -1.258 -10.558 1.00 0.00 N ATOM 456 CA ASN A 39 -3.591 -0.932 -11.102 1.00 0.00 C ATOM 457 C ASN A 39 -4.204 -2.180 -11.726 1.00 0.00 C ATOM 458 O ASN A 39 -4.931 -2.110 -12.698 1.00 0.00 O ATOM 459 CB ASN A 39 -3.471 0.177 -12.153 1.00 0.00 C ATOM 460 CG ASN A 39 -2.674 1.349 -11.575 1.00 0.00 C ATOM 461 OD1 ASN A 39 -2.021 2.069 -12.302 1.00 0.00 O ATOM 462 ND2 ASN A 39 -2.699 1.574 -10.290 1.00 0.00 N ATOM 0 H ASN A 39 -2.131 -1.100 -9.556 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.234 -0.586 -10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.977 -0.206 -13.046 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.463 0.513 -12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.171 2.354 -9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.247 0.970 -9.677 1.00 0.00 H new ATOM 469 N GLU A 40 -3.909 -3.322 -11.164 1.00 0.00 N ATOM 470 CA GLU A 40 -4.457 -4.601 -11.701 1.00 0.00 C ATOM 471 C GLU A 40 -5.759 -4.966 -10.987 1.00 0.00 C ATOM 472 O GLU A 40 -6.224 -4.265 -10.108 1.00 0.00 O ATOM 473 CB GLU A 40 -3.432 -5.723 -11.483 1.00 0.00 C ATOM 474 CG GLU A 40 -2.208 -5.478 -12.370 1.00 0.00 C ATOM 475 CD GLU A 40 -1.148 -6.549 -12.096 1.00 0.00 C ATOM 476 OE1 GLU A 40 -1.395 -7.402 -11.260 1.00 0.00 O ATOM 477 OE2 GLU A 40 -0.107 -6.497 -12.730 1.00 0.00 O ATOM 0 H GLU A 40 -3.306 -3.424 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.659 -4.478 -12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.134 -5.758 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.878 -6.689 -11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.498 -5.500 -13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.797 -4.488 -12.174 1.00 0.00 H new ATOM 484 N GLU A 41 -6.337 -6.069 -11.378 1.00 0.00 N ATOM 485 CA GLU A 41 -7.612 -6.546 -10.769 1.00 0.00 C ATOM 486 C GLU A 41 -8.708 -5.501 -10.946 1.00 0.00 C ATOM 487 O GLU A 41 -8.454 -4.315 -11.014 1.00 0.00 O ATOM 488 CB GLU A 41 -7.404 -6.834 -9.282 1.00 0.00 C ATOM 489 CG GLU A 41 -8.684 -7.444 -8.702 1.00 0.00 C ATOM 490 CD GLU A 41 -8.462 -7.807 -7.233 1.00 0.00 C ATOM 491 OE1 GLU A 41 -7.460 -7.381 -6.683 1.00 0.00 O ATOM 492 OE2 GLU A 41 -9.296 -8.507 -6.683 1.00 0.00 O ATOM 0 H GLU A 41 -5.969 -6.674 -12.112 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.918 -7.463 -11.272 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.567 -7.519 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.153 -5.915 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.508 -6.737 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.964 -8.333 -9.268 1.00 0.00 H new ATOM 499 N PHE A 42 -9.933 -5.953 -11.023 1.00 0.00 N ATOM 500 CA PHE A 42 -11.081 -5.017 -11.194 1.00 0.00 C ATOM 501 C PHE A 42 -12.354 -5.665 -10.657 1.00 0.00 C ATOM 502 O PHE A 42 -12.833 -6.663 -11.169 1.00 0.00 O ATOM 503 CB PHE A 42 -11.256 -4.681 -12.673 1.00 0.00 C ATOM 504 CG PHE A 42 -12.169 -3.485 -12.806 1.00 0.00 C ATOM 505 CD1 PHE A 42 -13.559 -3.659 -12.809 1.00 0.00 C ATOM 506 CD2 PHE A 42 -11.625 -2.202 -12.928 1.00 0.00 C ATOM 507 CE1 PHE A 42 -14.402 -2.549 -12.933 1.00 0.00 C ATOM 508 CE2 PHE A 42 -12.467 -1.092 -13.054 1.00 0.00 C ATOM 509 CZ PHE A 42 -13.857 -1.265 -13.057 1.00 0.00 C ATOM 0 H PHE A 42 -10.188 -6.939 -10.974 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.884 -4.099 -10.640 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -10.288 -4.467 -13.127 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -11.676 -5.535 -13.205 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.980 -4.649 -12.716 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.553 -2.068 -12.925 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.474 -2.683 -12.933 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.046 -0.102 -13.149 1.00 0.00 H new ATOM 0 HZ PHE A 42 -14.508 -0.409 -13.155 1.00 0.00 H new ATOM 519 N ASN A 43 -12.897 -5.092 -9.614 1.00 0.00 N ATOM 520 CA ASN A 43 -14.135 -5.638 -8.997 1.00 0.00 C ATOM 521 C ASN A 43 -15.363 -4.958 -9.627 1.00 0.00 C ATOM 522 O ASN A 43 -15.323 -3.795 -9.984 1.00 0.00 O ATOM 523 CB ASN A 43 -14.118 -5.352 -7.488 1.00 0.00 C ATOM 524 CG ASN A 43 -12.775 -5.787 -6.891 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.457 -5.440 -5.771 1.00 0.00 O ATOM 526 ND2 ASN A 43 -11.971 -6.535 -7.594 1.00 0.00 N ATOM 0 H ASN A 43 -12.527 -4.257 -9.160 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.184 -6.713 -9.168 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.279 -4.289 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.933 -5.885 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.076 -6.829 -7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.237 -6.827 -8.534 1.00 0.00 H new ATOM 533 N PRO A 44 -16.454 -5.677 -9.754 1.00 0.00 N ATOM 534 CA PRO A 44 -17.710 -5.126 -10.337 1.00 0.00 C ATOM 535 C PRO A 44 -18.341 -4.070 -9.423 1.00 0.00 C ATOM 536 O PRO A 44 -19.133 -3.256 -9.858 1.00 0.00 O ATOM 537 CB PRO A 44 -18.631 -6.355 -10.471 1.00 0.00 C ATOM 538 CG PRO A 44 -18.099 -7.368 -9.504 1.00 0.00 C ATOM 539 CD PRO A 44 -16.606 -7.089 -9.358 1.00 0.00 C ATOM 0 HA PRO A 44 -17.534 -4.622 -11.287 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.664 -6.097 -10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -18.621 -6.743 -11.490 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.604 -7.287 -8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -18.270 -8.380 -9.870 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -16.270 -7.252 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.015 -7.746 -9.996 1.00 0.00 H new ATOM 547 N ILE A 45 -18.005 -4.098 -8.159 1.00 0.00 N ATOM 548 CA ILE A 45 -18.591 -3.122 -7.194 1.00 0.00 C ATOM 549 C ILE A 45 -17.921 -1.758 -7.365 1.00 0.00 C ATOM 550 O ILE A 45 -18.307 -0.788 -6.740 1.00 0.00 O ATOM 551 CB ILE A 45 -18.384 -3.630 -5.759 1.00 0.00 C ATOM 552 CG1 ILE A 45 -19.145 -2.722 -4.784 1.00 0.00 C ATOM 553 CG2 ILE A 45 -16.889 -3.614 -5.409 1.00 0.00 C ATOM 554 CD1 ILE A 45 -19.298 -3.422 -3.433 1.00 0.00 C ATOM 0 H ILE A 45 -17.345 -4.760 -7.752 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.659 -3.019 -7.388 1.00 0.00 H new ATOM 0 HB ILE A 45 -18.759 -4.650 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.610 -1.781 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -20.127 -2.479 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.750 -3.975 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.347 -4.259 -6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -16.508 -2.596 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -19.839 -2.772 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -19.852 -4.351 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -18.312 -3.642 -3.024 1.00 0.00 H new ATOM 566 N GLY A 46 -16.932 -1.673 -8.214 1.00 0.00 N ATOM 567 CA GLY A 46 -16.249 -0.367 -8.435 1.00 0.00 C ATOM 568 C GLY A 46 -14.902 -0.586 -9.119 1.00 0.00 C ATOM 569 O GLY A 46 -14.815 -1.165 -10.186 1.00 0.00 O ATOM 0 H GLY A 46 -16.568 -2.452 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.876 0.280 -9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.103 0.141 -7.482 1.00 0.00 H new ATOM 573 N ILE A 47 -13.848 -0.109 -8.503 1.00 0.00 N ATOM 574 CA ILE A 47 -12.478 -0.255 -9.085 1.00 0.00 C ATOM 575 C ILE A 47 -11.528 -0.827 -8.043 1.00 0.00 C ATOM 576 O ILE A 47 -11.584 -0.491 -6.878 1.00 0.00 O ATOM 577 CB ILE A 47 -11.980 1.116 -9.562 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.973 2.119 -8.397 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.900 1.630 -10.673 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.371 3.447 -8.867 1.00 0.00 C ATOM 0 H ILE A 47 -13.880 0.382 -7.609 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.514 -0.939 -9.933 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.963 1.011 -9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.988 2.277 -8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.394 1.720 -7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.549 2.604 -11.014 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.891 0.928 -11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.916 1.724 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.367 4.157 -8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.349 3.282 -9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.968 3.847 -9.686 1.00 0.00 H new ATOM 592 N SER A 48 -10.654 -1.703 -8.471 1.00 0.00 N ATOM 593 CA SER A 48 -9.674 -2.338 -7.537 1.00 0.00 C ATOM 594 C SER A 48 -8.256 -1.938 -7.922 1.00 0.00 C ATOM 595 O SER A 48 -7.852 -2.043 -9.065 1.00 0.00 O ATOM 596 CB SER A 48 -9.810 -3.857 -7.614 1.00 0.00 C ATOM 597 OG SER A 48 -8.834 -4.454 -6.773 1.00 0.00 O ATOM 0 H SER A 48 -10.577 -2.009 -9.441 1.00 0.00 H new ATOM 0 HA SER A 48 -9.879 -2.001 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.810 -4.161 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.678 -4.195 -8.642 1.00 0.00 H new ATOM 0 HG SER A 48 -9.174 -5.308 -6.432 1.00 0.00 H new ATOM 603 N ILE A 49 -7.499 -1.484 -6.957 1.00 0.00 N ATOM 604 CA ILE A 49 -6.087 -1.067 -7.212 1.00 0.00 C ATOM 605 C ILE A 49 -5.145 -1.996 -6.460 1.00 0.00 C ATOM 606 O ILE A 49 -5.274 -2.212 -5.269 1.00 0.00 O ATOM 607 CB ILE A 49 -5.888 0.372 -6.731 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.776 1.305 -7.558 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.421 0.769 -6.913 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.780 2.699 -6.928 1.00 0.00 C ATOM 0 H ILE A 49 -7.804 -1.383 -5.989 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.873 -1.122 -8.279 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.157 0.449 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.409 1.359 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.792 0.912 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.276 1.794 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.788 0.099 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.153 0.697 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.412 3.363 -7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.167 2.637 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.763 3.091 -6.906 1.00 0.00 H new ATOM 622 N ASP A 50 -4.198 -2.553 -7.168 1.00 0.00 N ATOM 623 CA ASP A 50 -3.216 -3.490 -6.546 1.00 0.00 C ATOM 624 C ASP A 50 -1.820 -2.880 -6.580 1.00 0.00 C ATOM 625 O ASP A 50 -1.472 -2.115 -7.468 1.00 0.00 O ATOM 626 CB ASP A 50 -3.208 -4.811 -7.321 1.00 0.00 C ATOM 627 CG ASP A 50 -4.498 -5.583 -7.034 1.00 0.00 C ATOM 628 OD1 ASP A 50 -5.177 -5.234 -6.083 1.00 0.00 O ATOM 629 OD2 ASP A 50 -4.782 -6.513 -7.771 1.00 0.00 O ATOM 0 H ASP A 50 -4.061 -2.396 -8.167 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.505 -3.671 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.119 -4.617 -8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.343 -5.408 -7.032 1.00 0.00 H new ATOM 634 N GLY A 51 -1.025 -3.224 -5.602 1.00 0.00 N ATOM 635 CA GLY A 51 0.362 -2.694 -5.523 1.00 0.00 C ATOM 636 C GLY A 51 1.107 -3.369 -4.376 1.00 0.00 C ATOM 637 O GLY A 51 0.574 -4.205 -3.670 1.00 0.00 O ATOM 0 H GLY A 51 -1.284 -3.858 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.884 -2.873 -6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.341 -1.615 -5.370 1.00 0.00 H new ATOM 641 N TYR A 52 2.346 -3.000 -4.189 1.00 0.00 N ATOM 642 CA TYR A 52 3.167 -3.595 -3.096 1.00 0.00 C ATOM 643 C TYR A 52 4.084 -2.547 -2.484 1.00 0.00 C ATOM 644 O TYR A 52 4.274 -1.471 -3.017 1.00 0.00 O ATOM 645 CB TYR A 52 3.998 -4.759 -3.644 1.00 0.00 C ATOM 646 CG TYR A 52 4.651 -4.380 -4.956 1.00 0.00 C ATOM 647 CD1 TYR A 52 3.933 -4.503 -6.152 1.00 0.00 C ATOM 648 CD2 TYR A 52 5.977 -3.925 -4.982 1.00 0.00 C ATOM 649 CE1 TYR A 52 4.537 -4.173 -7.373 1.00 0.00 C ATOM 650 CE2 TYR A 52 6.581 -3.596 -6.204 1.00 0.00 C ATOM 651 CZ TYR A 52 5.861 -3.720 -7.399 1.00 0.00 C ATOM 652 OH TYR A 52 6.456 -3.397 -8.602 1.00 0.00 O ATOM 0 H TYR A 52 2.830 -2.303 -4.755 1.00 0.00 H new ATOM 0 HA TYR A 52 2.497 -3.965 -2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.762 -5.039 -2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.360 -5.631 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.911 -4.853 -6.134 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.533 -3.828 -4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.981 -4.268 -8.294 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.603 -3.247 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 52 7.376 -3.099 -8.442 1.00 0.00 H new ATOM 662 N ILE A 53 4.640 -2.869 -1.343 1.00 0.00 N ATOM 663 CA ILE A 53 5.548 -1.922 -0.627 1.00 0.00 C ATOM 664 C ILE A 53 6.929 -2.542 -0.447 1.00 0.00 C ATOM 665 O ILE A 53 7.113 -3.739 -0.561 1.00 0.00 O ATOM 666 CB ILE A 53 4.957 -1.595 0.750 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.772 -2.884 1.570 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.605 -0.902 0.571 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.318 -2.530 2.989 1.00 0.00 C ATOM 0 H ILE A 53 4.501 -3.762 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 53 5.644 -1.011 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 53 5.641 -0.934 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.035 -3.529 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.708 -3.442 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.183 -0.669 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.741 0.020 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.926 -1.562 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.188 -3.444 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.071 -1.903 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.372 -1.991 2.944 1.00 0.00 H new ATOM 681 N ASN A 54 7.894 -1.707 -0.170 1.00 0.00 N ATOM 682 CA ASN A 54 9.294 -2.178 0.033 1.00 0.00 C ATOM 683 C ASN A 54 9.769 -2.929 -1.213 1.00 0.00 C ATOM 684 O ASN A 54 10.543 -3.864 -1.131 1.00 0.00 O ATOM 685 CB ASN A 54 9.358 -3.083 1.267 1.00 0.00 C ATOM 686 CG ASN A 54 9.269 -2.231 2.537 1.00 0.00 C ATOM 687 OD1 ASN A 54 10.277 -1.837 3.089 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.096 -1.920 3.023 1.00 0.00 N ATOM 0 H ASN A 54 7.768 -0.699 -0.074 1.00 0.00 H new ATOM 0 HA ASN A 54 9.950 -1.322 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.541 -3.805 1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.287 -3.653 1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.028 -1.347 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.249 -2.250 2.561 1.00 0.00 H new ATOM 695 N ASN A 55 9.308 -2.503 -2.361 1.00 0.00 N ATOM 696 CA ASN A 55 9.705 -3.142 -3.649 1.00 0.00 C ATOM 697 C ASN A 55 9.656 -4.661 -3.511 1.00 0.00 C ATOM 698 O ASN A 55 10.385 -5.374 -4.173 1.00 0.00 O ATOM 699 CB ASN A 55 11.115 -2.685 -4.037 1.00 0.00 C ATOM 700 CG ASN A 55 11.063 -1.228 -4.504 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.005 -0.716 -4.819 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.166 -0.535 -4.565 1.00 0.00 N ATOM 0 H ASN A 55 8.659 -1.722 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 55 9.009 -2.842 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.789 -2.782 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.510 -3.320 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.142 0.436 -4.877 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.053 -0.964 -4.301 1.00 0.00 H new ATOM 709 N ASP A 56 8.793 -5.156 -2.658 1.00 0.00 N ATOM 710 CA ASP A 56 8.668 -6.636 -2.455 1.00 0.00 C ATOM 711 C ASP A 56 7.349 -7.130 -3.046 1.00 0.00 C ATOM 712 O ASP A 56 6.276 -6.821 -2.561 1.00 0.00 O ATOM 713 CB ASP A 56 8.718 -6.946 -0.958 1.00 0.00 C ATOM 714 CG ASP A 56 8.972 -8.443 -0.745 1.00 0.00 C ATOM 715 OD1 ASP A 56 9.311 -9.113 -1.707 1.00 0.00 O ATOM 716 OD2 ASP A 56 8.825 -8.892 0.379 1.00 0.00 O ATOM 0 H ASP A 56 8.163 -4.593 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 56 9.491 -7.144 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.507 -6.363 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.779 -6.656 -0.486 1.00 0.00 H new ATOM 721 N LYS A 57 7.439 -7.904 -4.092 1.00 0.00 N ATOM 722 CA LYS A 57 6.222 -8.445 -4.761 1.00 0.00 C ATOM 723 C LYS A 57 5.392 -9.251 -3.762 1.00 0.00 C ATOM 724 O LYS A 57 4.179 -9.276 -3.835 1.00 0.00 O ATOM 725 CB LYS A 57 6.646 -9.363 -5.918 1.00 0.00 C ATOM 726 CG LYS A 57 7.290 -8.530 -7.031 1.00 0.00 C ATOM 727 CD LYS A 57 7.692 -9.450 -8.191 1.00 0.00 C ATOM 728 CE LYS A 57 8.303 -8.619 -9.323 1.00 0.00 C ATOM 729 NZ LYS A 57 8.672 -9.517 -10.455 1.00 0.00 N ATOM 0 H LYS A 57 8.320 -8.189 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 57 5.624 -7.616 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.350 -10.114 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.779 -9.898 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.592 -7.770 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.166 -8.006 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.410 -10.194 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.820 -9.993 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.592 -7.865 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.184 -8.088 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.087 -8.953 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.365 -10.220 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.822 -10.004 -10.803 1.00 0.00 H new ATOM 743 N ASN A 58 6.039 -9.919 -2.844 1.00 0.00 N ATOM 744 CA ASN A 58 5.303 -10.743 -1.840 1.00 0.00 C ATOM 745 C ASN A 58 4.420 -9.832 -0.986 1.00 0.00 C ATOM 746 O ASN A 58 3.311 -10.185 -0.630 1.00 0.00 O ATOM 747 CB ASN A 58 6.308 -11.468 -0.930 1.00 0.00 C ATOM 748 CG ASN A 58 6.947 -12.638 -1.682 1.00 0.00 C ATOM 749 OD1 ASN A 58 6.445 -13.072 -2.699 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.043 -13.174 -1.214 1.00 0.00 N ATOM 0 H ASN A 58 7.054 -9.929 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 58 4.685 -11.476 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.080 -10.772 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.804 -11.832 -0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.477 -13.957 -1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.465 -12.809 -0.360 1.00 0.00 H new ATOM 757 N LEU A 59 4.915 -8.669 -0.651 1.00 0.00 N ATOM 758 CA LEU A 59 4.130 -7.719 0.191 1.00 0.00 C ATOM 759 C LEU A 59 3.162 -6.946 -0.697 1.00 0.00 C ATOM 760 O LEU A 59 3.380 -5.790 -1.015 1.00 0.00 O ATOM 761 CB LEU A 59 5.091 -6.747 0.889 1.00 0.00 C ATOM 762 CG LEU A 59 6.132 -7.535 1.697 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.096 -6.559 2.383 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.427 -8.391 2.759 1.00 0.00 C ATOM 0 H LEU A 59 5.838 -8.334 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 59 3.566 -8.268 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.590 -6.120 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.534 -6.081 1.548 1.00 0.00 H new ATOM 0 HG LEU A 59 6.691 -8.185 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.834 -7.120 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.603 -5.957 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.537 -5.905 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.170 -8.948 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.863 -7.745 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.747 -9.089 2.271 1.00 0.00 H new ATOM 776 N SER A 60 2.095 -7.588 -1.104 1.00 0.00 N ATOM 777 CA SER A 60 1.088 -6.922 -1.985 1.00 0.00 C ATOM 778 C SER A 60 -0.139 -6.500 -1.180 1.00 0.00 C ATOM 779 O SER A 60 -0.400 -6.992 -0.097 1.00 0.00 O ATOM 780 CB SER A 60 0.658 -7.890 -3.089 1.00 0.00 C ATOM 781 OG SER A 60 1.712 -8.011 -4.036 1.00 0.00 O ATOM 0 H SER A 60 1.877 -8.554 -0.861 1.00 0.00 H new ATOM 0 HA SER A 60 1.543 -6.034 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.421 -8.865 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.246 -7.527 -3.577 1.00 0.00 H new ATOM 0 HG SER A 60 2.449 -8.523 -3.642 1.00 0.00 H new ATOM 787 N PHE A 61 -0.891 -5.579 -1.728 1.00 0.00 N ATOM 788 CA PHE A 61 -2.121 -5.078 -1.049 1.00 0.00 C ATOM 789 C PHE A 61 -3.164 -4.686 -2.095 1.00 0.00 C ATOM 790 O PHE A 61 -2.845 -4.372 -3.231 1.00 0.00 O ATOM 791 CB PHE A 61 -1.779 -3.860 -0.187 1.00 0.00 C ATOM 792 CG PHE A 61 -1.273 -2.724 -1.049 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.177 -1.814 -1.609 1.00 0.00 C ATOM 794 CD2 PHE A 61 0.101 -2.575 -1.278 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.707 -0.756 -2.400 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.569 -1.519 -2.069 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.335 -0.609 -2.631 1.00 0.00 C ATOM 0 H PHE A 61 -0.700 -5.147 -2.632 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.524 -5.867 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.662 -3.539 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.022 -4.130 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.236 -1.927 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.800 -3.275 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.405 -0.054 -2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.628 -1.406 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.026 0.205 -3.242 1.00 0.00 H new ATOM 807 N THR A 62 -4.417 -4.716 -1.712 1.00 0.00 N ATOM 808 CA THR A 62 -5.517 -4.362 -2.659 1.00 0.00 C ATOM 809 C THR A 62 -6.524 -3.432 -1.990 1.00 0.00 C ATOM 810 O THR A 62 -6.965 -3.661 -0.879 1.00 0.00 O ATOM 811 CB THR A 62 -6.225 -5.641 -3.112 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.290 -6.484 -3.774 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.361 -5.282 -4.071 1.00 0.00 C ATOM 0 H THR A 62 -4.726 -4.973 -0.775 1.00 0.00 H new ATOM 0 HA THR A 62 -5.088 -3.849 -3.520 1.00 0.00 H new ATOM 0 HB THR A 62 -6.635 -6.160 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.010 -6.065 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.866 -6.192 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.074 -4.632 -3.563 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.954 -4.765 -4.940 1.00 0.00 H new ATOM 821 N ALA A 63 -6.901 -2.388 -2.686 1.00 0.00 N ATOM 822 CA ALA A 63 -7.898 -1.412 -2.146 1.00 0.00 C ATOM 823 C ALA A 63 -8.993 -1.177 -3.187 1.00 0.00 C ATOM 824 O ALA A 63 -8.737 -1.061 -4.372 1.00 0.00 O ATOM 825 CB ALA A 63 -7.204 -0.090 -1.827 1.00 0.00 C ATOM 0 H ALA A 63 -6.555 -2.168 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.341 -1.814 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.933 0.618 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.425 -0.258 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.758 0.315 -2.735 1.00 0.00 H new ATOM 831 N GLY A 64 -10.220 -1.123 -2.735 1.00 0.00 N ATOM 832 CA GLY A 64 -11.381 -0.919 -3.654 1.00 0.00 C ATOM 833 C GLY A 64 -11.943 0.496 -3.515 1.00 0.00 C ATOM 834 O GLY A 64 -12.161 0.998 -2.426 1.00 0.00 O ATOM 0 H GLY A 64 -10.471 -1.213 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.070 -1.092 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.160 -1.648 -3.430 1.00 0.00 H new ATOM 838 N LYS A 65 -12.186 1.124 -4.635 1.00 0.00 N ATOM 839 CA LYS A 65 -12.744 2.505 -4.664 1.00 0.00 C ATOM 840 C LYS A 65 -12.153 3.355 -3.541 1.00 0.00 C ATOM 841 O LYS A 65 -10.957 3.371 -3.326 1.00 0.00 O ATOM 842 CB LYS A 65 -14.276 2.445 -4.523 1.00 0.00 C ATOM 843 CG LYS A 65 -14.905 3.697 -5.155 1.00 0.00 C ATOM 844 CD LYS A 65 -16.428 3.572 -5.141 1.00 0.00 C ATOM 845 CE LYS A 65 -17.055 4.819 -5.771 1.00 0.00 C ATOM 846 NZ LYS A 65 -18.541 4.683 -5.772 1.00 0.00 N ATOM 0 H LYS A 65 -12.015 0.723 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.481 2.966 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.661 1.548 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.552 2.380 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.599 4.587 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.550 3.817 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.734 2.682 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.783 3.452 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.761 5.708 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.690 4.947 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.967 5.530 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.812 3.843 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.881 4.581 -4.794 1.00 0.00 H new ATOM 860 N ASP A 66 -12.988 4.071 -2.838 1.00 0.00 N ATOM 861 CA ASP A 66 -12.501 4.942 -1.735 1.00 0.00 C ATOM 862 C ASP A 66 -12.106 4.073 -0.542 1.00 0.00 C ATOM 863 O ASP A 66 -12.670 4.175 0.530 1.00 0.00 O ATOM 864 CB ASP A 66 -13.615 5.919 -1.330 1.00 0.00 C ATOM 865 CG ASP A 66 -13.796 6.978 -2.422 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.913 7.102 -3.254 1.00 0.00 O ATOM 867 OD2 ASP A 66 -14.816 7.647 -2.406 1.00 0.00 O ATOM 0 H ASP A 66 -13.997 4.088 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.632 5.510 -2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.549 5.378 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.365 6.398 -0.383 1.00 0.00 H new ATOM 872 N VAL A 67 -11.133 3.222 -0.735 1.00 0.00 N ATOM 873 CA VAL A 67 -10.662 2.325 0.359 1.00 0.00 C ATOM 874 C VAL A 67 -11.870 1.708 1.068 1.00 0.00 C ATOM 875 O VAL A 67 -11.793 1.309 2.215 1.00 0.00 O ATOM 876 CB VAL A 67 -9.807 3.126 1.354 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.864 2.170 2.089 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.976 4.172 0.599 1.00 0.00 C ATOM 0 H VAL A 67 -10.637 3.110 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.052 1.525 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.459 3.629 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.255 2.732 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.449 1.424 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.216 1.672 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.372 4.737 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.323 3.671 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.642 4.852 0.068 1.00 0.00 H new ATOM 888 N LYS A 68 -12.976 1.627 0.379 1.00 0.00 N ATOM 889 CA LYS A 68 -14.207 1.036 0.975 1.00 0.00 C ATOM 890 C LYS A 68 -13.950 -0.434 1.280 1.00 0.00 C ATOM 891 O LYS A 68 -14.326 -0.935 2.321 1.00 0.00 O ATOM 892 CB LYS A 68 -15.354 1.147 -0.034 1.00 0.00 C ATOM 893 CG LYS A 68 -15.743 2.617 -0.213 1.00 0.00 C ATOM 894 CD LYS A 68 -16.805 2.744 -1.315 1.00 0.00 C ATOM 895 CE LYS A 68 -18.178 2.336 -0.766 1.00 0.00 C ATOM 896 NZ LYS A 68 -19.237 2.731 -1.734 1.00 0.00 N ATOM 0 H LYS A 68 -13.079 1.949 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.470 1.565 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -15.052 0.722 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.213 0.573 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.129 3.017 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.864 3.206 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.840 3.770 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.540 2.112 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.208 1.260 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.354 2.815 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.168 2.454 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.212 3.761 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.072 2.254 -2.643 1.00 0.00 H new ATOM 910 N ILE A 69 -13.302 -1.121 0.374 1.00 0.00 N ATOM 911 CA ILE A 69 -12.990 -2.568 0.580 1.00 0.00 C ATOM 912 C ILE A 69 -11.504 -2.796 0.330 1.00 0.00 C ATOM 913 O ILE A 69 -10.964 -2.424 -0.694 1.00 0.00 O ATOM 914 CB ILE A 69 -13.815 -3.420 -0.388 1.00 0.00 C ATOM 915 CG1 ILE A 69 -15.304 -3.239 -0.076 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.431 -4.890 -0.216 1.00 0.00 C ATOM 917 CD1 ILE A 69 -16.147 -3.879 -1.182 1.00 0.00 C ATOM 0 H ILE A 69 -12.972 -0.736 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 69 -13.239 -2.855 1.602 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.618 -3.110 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.542 -3.695 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.541 -2.178 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.016 -5.502 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.370 -5.016 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.633 -5.201 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -17.205 -3.748 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -15.918 -3.403 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.919 -4.943 -1.244 1.00 0.00 H new ATOM 929 N PHE A 70 -10.839 -3.408 1.273 1.00 0.00 N ATOM 930 CA PHE A 70 -9.377 -3.677 1.128 1.00 0.00 C ATOM 931 C PHE A 70 -9.030 -5.060 1.665 1.00 0.00 C ATOM 932 O PHE A 70 -9.693 -5.600 2.530 1.00 0.00 O ATOM 933 CB PHE A 70 -8.585 -2.621 1.898 1.00 0.00 C ATOM 934 CG PHE A 70 -9.120 -2.502 3.307 1.00 0.00 C ATOM 935 CD1 PHE A 70 -8.679 -3.381 4.305 1.00 0.00 C ATOM 936 CD2 PHE A 70 -10.057 -1.508 3.615 1.00 0.00 C ATOM 937 CE1 PHE A 70 -9.175 -3.265 5.610 1.00 0.00 C ATOM 938 CE2 PHE A 70 -10.554 -1.393 4.921 1.00 0.00 C ATOM 939 CZ PHE A 70 -10.112 -2.272 5.917 1.00 0.00 C ATOM 0 H PHE A 70 -11.250 -3.737 2.147 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.119 -3.636 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.529 -2.892 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.656 -1.659 1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.957 -4.148 4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -10.397 -0.830 2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.834 -3.942 6.379 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -11.277 -0.627 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.495 -2.184 6.923 1.00 0.00 H new ATOM 949 N SER A 71 -7.977 -5.626 1.142 1.00 0.00 N ATOM 950 CA SER A 71 -7.529 -6.975 1.582 1.00 0.00 C ATOM 951 C SER A 71 -6.005 -7.007 1.648 1.00 0.00 C ATOM 952 O SER A 71 -5.319 -6.284 0.948 1.00 0.00 O ATOM 953 CB SER A 71 -8.023 -8.026 0.591 1.00 0.00 C ATOM 954 OG SER A 71 -7.639 -9.315 1.052 1.00 0.00 O ATOM 0 H SER A 71 -7.399 -5.202 0.416 1.00 0.00 H new ATOM 0 HA SER A 71 -7.939 -7.191 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.107 -7.969 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.602 -7.839 -0.397 1.00 0.00 H new ATOM 0 HG SER A 71 -7.954 -9.995 0.421 1.00 0.00 H new ATOM 960 N SER A 72 -5.476 -7.847 2.500 1.00 0.00 N ATOM 961 CA SER A 72 -3.994 -7.954 2.652 1.00 0.00 C ATOM 962 C SER A 72 -3.583 -9.419 2.781 1.00 0.00 C ATOM 963 O SER A 72 -4.346 -10.266 3.209 1.00 0.00 O ATOM 964 CB SER A 72 -3.552 -7.193 3.902 1.00 0.00 C ATOM 965 OG SER A 72 -4.326 -7.616 5.018 1.00 0.00 O ATOM 0 H SER A 72 -6.013 -8.470 3.103 1.00 0.00 H new ATOM 0 HA SER A 72 -3.516 -7.525 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.494 -7.371 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.673 -6.121 3.749 1.00 0.00 H new ATOM 0 HG SER A 72 -3.744 -8.057 5.671 1.00 0.00 H new ATOM 971 N SER A 73 -2.368 -9.705 2.397 1.00 0.00 N ATOM 972 CA SER A 73 -1.842 -11.097 2.459 1.00 0.00 C ATOM 973 C SER A 73 -1.342 -11.418 3.863 1.00 0.00 C ATOM 974 O SER A 73 -1.205 -10.555 4.707 1.00 0.00 O ATOM 975 CB SER A 73 -0.685 -11.244 1.468 1.00 0.00 C ATOM 976 OG SER A 73 0.400 -10.421 1.875 1.00 0.00 O ATOM 0 H SER A 73 -1.706 -9.018 2.036 1.00 0.00 H new ATOM 0 HA SER A 73 -2.646 -11.788 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.366 -12.285 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.012 -10.963 0.467 1.00 0.00 H new ATOM 0 HG SER A 73 1.140 -10.518 1.240 1.00 0.00 H new ATOM 982 N GLU A 74 -1.068 -12.670 4.099 1.00 0.00 N ATOM 983 CA GLU A 74 -0.575 -13.110 5.430 1.00 0.00 C ATOM 984 C GLU A 74 0.800 -12.496 5.682 1.00 0.00 C ATOM 985 O GLU A 74 1.182 -12.254 6.809 1.00 0.00 O ATOM 986 CB GLU A 74 -0.468 -14.641 5.451 1.00 0.00 C ATOM 987 CG GLU A 74 -1.867 -15.273 5.313 1.00 0.00 C ATOM 988 CD GLU A 74 -2.268 -15.367 3.834 1.00 0.00 C ATOM 989 OE1 GLU A 74 -1.526 -14.875 2.999 1.00 0.00 O ATOM 990 OE2 GLU A 74 -3.317 -15.929 3.564 1.00 0.00 O ATOM 0 H GLU A 74 -1.167 -13.418 3.413 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.267 -12.786 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.174 -14.979 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.003 -14.968 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.870 -16.267 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.598 -14.676 5.857 1.00 0.00 H new ATOM 997 N GLU A 75 1.545 -12.256 4.638 1.00 0.00 N ATOM 998 CA GLU A 75 2.901 -11.662 4.802 1.00 0.00 C ATOM 999 C GLU A 75 2.772 -10.181 5.157 1.00 0.00 C ATOM 1000 O GLU A 75 3.368 -9.714 6.097 1.00 0.00 O ATOM 1001 CB GLU A 75 3.686 -11.794 3.487 1.00 0.00 C ATOM 1002 CG GLU A 75 3.928 -13.274 3.164 1.00 0.00 C ATOM 1003 CD GLU A 75 4.817 -13.907 4.239 1.00 0.00 C ATOM 1004 OE1 GLU A 75 5.481 -13.168 4.945 1.00 0.00 O ATOM 1005 OE2 GLU A 75 4.817 -15.124 4.336 1.00 0.00 O ATOM 0 H GLU A 75 1.271 -12.447 3.674 1.00 0.00 H new ATOM 0 HA GLU A 75 3.427 -12.188 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.132 -11.322 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.639 -11.271 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.977 -13.803 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.402 -13.369 2.187 1.00 0.00 H new ATOM 1012 N LEU A 76 1.998 -9.446 4.403 1.00 0.00 N ATOM 1013 CA LEU A 76 1.827 -7.988 4.670 1.00 0.00 C ATOM 1014 C LEU A 76 1.107 -7.795 6.005 1.00 0.00 C ATOM 1015 O LEU A 76 1.156 -6.739 6.605 1.00 0.00 O ATOM 1016 CB LEU A 76 0.995 -7.372 3.532 1.00 0.00 C ATOM 1017 CG LEU A 76 0.805 -5.863 3.755 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.168 -5.156 3.784 1.00 0.00 C ATOM 1019 CD2 LEU A 76 -0.038 -5.298 2.613 1.00 0.00 C ATOM 0 H LEU A 76 1.471 -9.798 3.604 1.00 0.00 H new ATOM 0 HA LEU A 76 2.800 -7.499 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.492 -7.544 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.023 -7.862 3.479 1.00 0.00 H new ATOM 0 HG LEU A 76 0.304 -5.698 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.020 -4.088 3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.772 -5.563 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.680 -5.315 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.180 -4.227 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.472 -5.469 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.009 -5.794 2.598 1.00 0.00 H new ATOM 1031 N ASP A 77 0.432 -8.813 6.458 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.317 -8.727 7.743 1.00 0.00 C ATOM 1033 C ASP A 77 0.655 -8.511 8.901 1.00 0.00 C ATOM 1034 O ASP A 77 0.325 -7.869 9.879 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.094 -10.042 7.964 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.438 -10.003 7.227 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.927 -8.916 6.973 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -2.955 -11.065 6.928 1.00 0.00 O ATOM 0 H ASP A 77 0.366 -9.715 5.986 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.011 -7.888 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.502 -10.885 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.262 -10.197 9.030 1.00 0.00 H new ATOM 1043 N LYS A 78 1.835 -9.066 8.812 1.00 0.00 N ATOM 1044 CA LYS A 78 2.822 -8.920 9.922 1.00 0.00 C ATOM 1045 C LYS A 78 3.210 -7.448 10.074 1.00 0.00 C ATOM 1046 O LYS A 78 3.312 -6.935 11.171 1.00 0.00 O ATOM 1047 CB LYS A 78 4.074 -9.762 9.601 1.00 0.00 C ATOM 1048 CG LYS A 78 4.985 -9.018 8.611 1.00 0.00 C ATOM 1049 CD LYS A 78 6.070 -9.957 8.091 1.00 0.00 C ATOM 1050 CE LYS A 78 6.946 -9.216 7.074 1.00 0.00 C ATOM 1051 NZ LYS A 78 7.629 -8.073 7.745 1.00 0.00 N ATOM 0 H LYS A 78 2.159 -9.616 8.016 1.00 0.00 H new ATOM 0 HA LYS A 78 2.380 -9.269 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.622 -9.974 10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.776 -10.722 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.395 -8.635 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.441 -8.158 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.681 -10.317 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.616 -10.832 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.684 -9.897 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.335 -8.854 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.405 -7.191 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.301 -8.002 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.657 -8.227 7.733 1.00 0.00 H new ATOM 1065 N MET A 79 3.450 -6.786 8.972 1.00 0.00 N ATOM 1066 CA MET A 79 3.853 -5.353 9.017 1.00 0.00 C ATOM 1067 C MET A 79 2.667 -4.530 9.500 1.00 0.00 C ATOM 1068 O MET A 79 2.818 -3.583 10.247 1.00 0.00 O ATOM 1069 CB MET A 79 4.255 -4.895 7.609 1.00 0.00 C ATOM 1070 CG MET A 79 5.556 -5.586 7.190 1.00 0.00 C ATOM 1071 SD MET A 79 6.920 -4.987 8.219 1.00 0.00 S ATOM 1072 CE MET A 79 7.500 -3.685 7.102 1.00 0.00 C ATOM 0 H MET A 79 3.383 -7.183 8.035 1.00 0.00 H new ATOM 0 HA MET A 79 4.698 -5.221 9.693 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.462 -5.132 6.900 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.385 -3.813 7.592 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.456 -6.666 7.294 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.764 -5.385 6.139 1.00 0.00 H new ATOM 0 HE1 MET A 79 8.407 -3.236 7.507 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.713 -4.114 6.123 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.729 -2.920 7.003 1.00 0.00 H new ATOM 1082 N PHE A 80 1.490 -4.897 9.067 1.00 0.00 N ATOM 1083 CA PHE A 80 0.260 -4.164 9.470 1.00 0.00 C ATOM 1084 C PHE A 80 0.033 -4.353 10.965 1.00 0.00 C ATOM 1085 O PHE A 80 -0.040 -5.459 11.462 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.931 -4.726 8.674 1.00 0.00 C ATOM 1087 CG PHE A 80 -2.226 -4.155 9.206 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -2.654 -2.885 8.799 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.999 -4.895 10.111 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -3.851 -2.356 9.296 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -4.194 -4.364 10.611 1.00 0.00 C ATOM 1092 CZ PHE A 80 -4.619 -3.095 10.203 1.00 0.00 C ATOM 0 H PHE A 80 1.329 -5.686 8.441 1.00 0.00 H new ATOM 0 HA PHE A 80 0.364 -3.099 9.261 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.822 -4.479 7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.947 -5.813 8.747 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.060 -2.313 8.101 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.672 -5.876 10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.182 -1.378 8.980 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.787 -4.933 11.311 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.541 -2.685 10.588 1.00 0.00 H new ATOM 1102 N GLN A 81 -0.071 -3.267 11.685 1.00 0.00 N ATOM 1103 CA GLN A 81 -0.285 -3.343 13.161 1.00 0.00 C ATOM 1104 C GLN A 81 -1.225 -2.218 13.592 1.00 0.00 C ATOM 1105 O GLN A 81 -1.563 -2.099 14.755 1.00 0.00 O ATOM 1106 CB GLN A 81 1.058 -3.194 13.878 1.00 0.00 C ATOM 1107 CG GLN A 81 1.896 -4.452 13.637 1.00 0.00 C ATOM 1108 CD GLN A 81 3.252 -4.308 14.326 1.00 0.00 C ATOM 1109 OE1 GLN A 81 3.498 -3.338 15.014 1.00 0.00 O ATOM 1110 NE2 GLN A 81 4.148 -5.244 14.170 1.00 0.00 N ATOM 0 H GLN A 81 -0.016 -2.320 11.309 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.727 -4.305 13.419 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.586 -2.314 13.509 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.900 -3.046 14.946 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.373 -5.328 14.021 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.036 -4.608 12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.940 -6.058 13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.057 -5.161 14.626 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.652 -1.395 12.662 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.571 -0.275 12.997 1.00 0.00 C ATOM 1121 C GLU A 82 -4.001 -0.659 12.572 1.00 0.00 C ATOM 1122 O GLU A 82 -4.287 -0.792 11.395 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.141 0.981 12.246 1.00 0.00 C ATOM 1124 CG GLU A 82 -2.818 2.206 12.873 1.00 0.00 C ATOM 1125 CD GLU A 82 -2.133 2.566 14.198 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -1.046 3.120 14.150 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -2.710 2.289 15.236 1.00 0.00 O ATOM 0 H GLU A 82 -1.396 -1.458 11.677 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.540 -0.082 14.069 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.057 1.090 12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.413 0.900 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.766 3.051 12.186 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.874 1.999 13.045 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.896 -0.833 13.518 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.306 -1.209 13.223 1.00 0.00 C ATOM 1136 C PRO A 83 -6.938 -0.335 12.140 1.00 0.00 C ATOM 1137 O PRO A 83 -6.599 0.820 11.976 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.027 -1.014 14.566 1.00 0.00 C ATOM 1139 CG PRO A 83 -5.965 -1.153 15.610 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.658 -0.711 14.966 1.00 0.00 C ATOM 0 HA PRO A 83 -6.375 -2.225 12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.503 -0.035 14.618 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.812 -1.758 14.702 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.195 -0.538 16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.896 -2.184 15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.407 0.313 15.241 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.827 -1.339 15.285 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.840 -0.906 11.394 1.00 0.00 N ATOM 1149 CA ARG A 84 -8.505 -0.162 10.292 1.00 0.00 C ATOM 1150 C ARG A 84 -9.389 0.933 10.862 1.00 0.00 C ATOM 1151 O ARG A 84 -10.012 0.779 11.892 1.00 0.00 O ATOM 1152 CB ARG A 84 -9.357 -1.132 9.460 1.00 0.00 C ATOM 1153 CG ARG A 84 -8.550 -2.403 9.148 1.00 0.00 C ATOM 1154 CD ARG A 84 -7.356 -2.060 8.251 1.00 0.00 C ATOM 1155 NE ARG A 84 -7.833 -1.288 7.069 1.00 0.00 N ATOM 1156 CZ ARG A 84 -7.050 -1.099 6.043 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -5.840 -1.598 6.029 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -7.481 -0.409 5.025 1.00 0.00 N ATOM 0 H ARG A 84 -8.149 -1.872 11.504 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.744 0.292 9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.264 -1.392 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.669 -0.652 8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.200 -2.858 10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.188 -3.136 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.623 -1.477 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.857 -2.973 7.926 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.778 -0.905 7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.502 -2.140 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.235 -1.445 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.424 -0.021 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.875 -0.257 4.219 1.00 0.00 H new ATOM 1172 N LYS A 85 -9.438 2.045 10.182 1.00 0.00 N ATOM 1173 CA LYS A 85 -10.272 3.192 10.643 1.00 0.00 C ATOM 1174 C LYS A 85 -10.940 3.843 9.432 1.00 0.00 C ATOM 1175 O LYS A 85 -12.113 3.645 9.181 1.00 0.00 O ATOM 1176 CB LYS A 85 -9.381 4.223 11.343 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.859 3.631 12.654 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.982 4.657 13.376 1.00 0.00 C ATOM 1179 CE LYS A 85 -7.529 4.084 14.721 1.00 0.00 C ATOM 1180 NZ LYS A 85 -6.673 2.885 14.493 1.00 0.00 N ATOM 0 H LYS A 85 -8.928 2.210 9.314 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.032 2.836 11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.547 4.499 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.945 5.134 11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.695 3.342 13.291 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.285 2.727 12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.115 4.905 12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.538 5.582 13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.975 4.838 15.280 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.397 3.814 15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.139 2.670 15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.273 2.072 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.009 3.075 13.715 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.195 4.612 8.678 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.775 5.280 7.473 1.00 0.00 C ATOM 1196 C GLY A 86 -9.919 6.481 7.064 1.00 0.00 C ATOM 1197 O GLY A 86 -9.133 7.000 7.834 1.00 0.00 O ATOM 0 H GLY A 86 -9.208 4.806 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.833 4.570 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.793 5.607 7.685 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.079 6.908 5.838 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.302 8.067 5.309 1.00 0.00 C ATOM 1203 C TYR A 87 -9.649 9.328 6.109 1.00 0.00 C ATOM 1204 O TYR A 87 -8.784 10.101 6.483 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.666 8.280 3.833 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.846 9.421 3.279 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.468 9.257 3.087 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.456 10.639 2.960 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.701 10.311 2.580 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.689 11.692 2.450 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.312 11.529 2.261 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.556 12.570 1.763 1.00 0.00 O ATOM 0 H TYR A 87 -10.728 6.494 5.169 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.235 7.867 5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.476 7.370 3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.729 8.500 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.998 8.316 3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.518 10.766 3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.638 10.185 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.160 12.632 2.202 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.135 13.343 1.593 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.914 9.542 6.356 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.349 10.750 7.117 1.00 0.00 C ATOM 1224 C ASP A 88 -10.858 10.664 8.568 1.00 0.00 C ATOM 1225 O ASP A 88 -10.544 11.666 9.180 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.883 10.842 7.089 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.344 12.066 7.888 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.945 13.163 7.538 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.095 11.882 8.834 1.00 0.00 O ATOM 0 H ASP A 88 -11.671 8.926 6.060 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.922 11.640 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.233 10.915 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.319 9.936 7.510 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.814 9.485 9.127 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.373 9.335 10.549 1.00 0.00 C ATOM 1236 C GLU A 89 -8.903 9.720 10.707 1.00 0.00 C ATOM 1237 O GLU A 89 -8.538 10.406 11.642 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.560 7.872 10.989 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.046 7.584 11.257 1.00 0.00 C ATOM 1240 CD GLU A 89 -12.795 7.371 9.937 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.195 7.550 8.894 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -13.962 7.027 9.996 1.00 0.00 O ATOM 0 H GLU A 89 -11.065 8.614 8.660 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.977 9.997 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.186 7.201 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.976 7.678 11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.144 6.699 11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.491 8.414 11.805 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.060 9.273 9.817 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.605 9.595 9.921 1.00 0.00 C ATOM 1251 C ILE A 90 -6.378 11.091 9.720 1.00 0.00 C ATOM 1252 O ILE A 90 -5.540 11.689 10.369 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.824 8.796 8.867 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.446 8.991 7.480 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.859 7.314 9.239 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.554 8.347 6.415 1.00 0.00 C ATOM 0 H ILE A 90 -8.317 8.695 9.017 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.250 9.321 10.915 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.794 9.150 8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.441 8.546 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.567 10.054 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.307 6.739 8.496 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.402 7.174 10.219 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.893 6.971 9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.001 8.489 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.569 8.812 6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.456 7.281 6.619 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.103 11.693 8.816 1.00 0.00 N ATOM 1269 CA LEU A 91 -6.924 13.148 8.556 1.00 0.00 C ATOM 1270 C LEU A 91 -7.298 13.943 9.811 1.00 0.00 C ATOM 1271 O LEU A 91 -6.641 14.905 10.160 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.820 13.572 7.375 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.156 13.192 6.037 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.139 13.462 4.890 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -5.876 14.029 5.818 1.00 0.00 C ATOM 0 H LEU A 91 -7.814 11.236 8.245 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.883 13.350 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.793 13.088 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.995 14.647 7.410 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.890 12.135 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.674 13.195 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.039 12.864 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.404 14.519 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.417 13.750 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.133 15.088 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.174 13.840 6.630 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.346 13.545 10.481 1.00 0.00 N ATOM 1288 CA GLU A 92 -8.782 14.264 11.715 1.00 0.00 C ATOM 1289 C GLU A 92 -7.743 14.063 12.821 1.00 0.00 C ATOM 1290 O GLU A 92 -7.481 14.957 13.604 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.135 13.700 12.174 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.221 14.111 11.175 1.00 0.00 C ATOM 1293 CD GLU A 92 -12.565 13.492 11.577 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -12.598 12.782 12.568 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.538 13.739 10.882 1.00 0.00 O ATOM 0 H GLU A 92 -8.925 12.745 10.224 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.880 15.329 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.083 12.614 12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.379 14.074 13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.306 15.197 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.946 13.784 10.172 1.00 0.00 H new