USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 933 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 24 LYS NZ :NH3+ -135:sc= -0.187 (180deg=-0.514) USER MOD Set 1.2: A 75 TYR OH : rot 40:sc= 0.0804 USER MOD Set 1.3: A 82 ASN : amide:sc= -1.43 K(o=-1.5,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.43 (180deg=2.19) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 10 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.36) USER MOD Single : A 12 THR OG1 : rot 51:sc= 0.304 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 41 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.21) USER MOD Single : A 46 THR OG1 : rot 174:sc= 0.434 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 10:sc= 1.13 USER MOD Single : A 49 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.085) USER MOD Single : A 50 SER OG : rot 14:sc= 1.17 USER MOD Single : A 52 THR OG1 : rot -150:sc= 0.306 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 160:sc= -2.76! USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= -0.0144 (180deg=-0.142) USER MOD Single : A 62 ASN : amide:sc= -2.57! X(o=-2.6!,f=-2.6) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00435 USER MOD Single : A 71 ASN : amide:sc= 0.586 K(o=0.59,f=-6.2!) USER MOD Single : A 83 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.057) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.037) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.014 (180deg=-0.209) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.043) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.0278 (180deg=-0.197) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.602 K(o=-0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.490 14.066 -6.722 1.00 0.00 N ATOM 2 CA MET A 1 1.821 13.992 -5.402 1.00 0.00 C ATOM 3 C MET A 1 1.427 12.557 -5.074 1.00 0.00 C ATOM 4 O MET A 1 1.693 11.635 -5.846 1.00 0.00 O ATOM 5 CB MET A 1 0.579 14.886 -5.391 1.00 0.00 C ATOM 6 CG MET A 1 0.886 16.370 -5.267 1.00 0.00 C ATOM 7 SD MET A 1 1.830 17.020 -6.658 1.00 0.00 S ATOM 8 CE MET A 1 1.980 18.741 -6.182 1.00 0.00 C ATOM 0 H1 MET A 1 2.536 15.057 -7.033 1.00 0.00 H new ATOM 0 H2 MET A 1 3.453 13.682 -6.645 1.00 0.00 H new ATOM 0 H3 MET A 1 1.950 13.511 -7.416 1.00 0.00 H new ATOM 0 HA MET A 1 2.522 14.341 -4.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.015 14.718 -6.308 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.063 14.588 -4.562 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.050 16.922 -5.182 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.443 16.543 -4.346 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.542 19.282 -6.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.987 19.179 -6.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.503 18.810 -5.228 1.00 0.00 H new ATOM 20 N ILE A 2 0.808 12.371 -3.916 1.00 0.00 N ATOM 21 CA ILE A 2 0.342 11.058 -3.494 1.00 0.00 C ATOM 22 C ILE A 2 -1.187 10.994 -3.575 1.00 0.00 C ATOM 23 O ILE A 2 -1.889 11.773 -2.932 1.00 0.00 O ATOM 24 CB ILE A 2 0.826 10.722 -2.057 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.111 9.479 -1.512 1.00 0.00 C ATOM 26 CG2 ILE A 2 0.631 11.909 -1.123 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.603 9.042 -0.147 1.00 0.00 C ATOM 0 H ILE A 2 0.616 13.118 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 2 0.765 10.313 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 2 1.893 10.504 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.958 9.682 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.243 8.657 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.978 11.646 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.202 12.761 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.426 12.170 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.051 8.158 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.666 8.807 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.446 9.847 0.571 1.00 0.00 H new ATOM 39 N ARG A 3 -1.690 10.082 -4.394 1.00 0.00 N ATOM 40 CA ARG A 3 -3.098 9.954 -4.643 1.00 0.00 C ATOM 41 C ARG A 3 -3.560 8.509 -4.494 1.00 0.00 C ATOM 42 O ARG A 3 -2.800 7.575 -4.707 1.00 0.00 O ATOM 43 CB ARG A 3 -3.385 10.425 -6.056 1.00 0.00 C ATOM 44 CG ARG A 3 -2.265 10.133 -7.040 1.00 0.00 C ATOM 45 CD ARG A 3 -2.667 10.493 -8.458 1.00 0.00 C ATOM 46 NE ARG A 3 -3.039 11.899 -8.576 1.00 0.00 N ATOM 47 CZ ARG A 3 -3.254 12.512 -9.734 1.00 0.00 C ATOM 48 NH1 ARG A 3 -3.135 11.844 -10.878 1.00 0.00 N ATOM 49 NH2 ARG A 3 -3.595 13.790 -9.750 1.00 0.00 N ATOM 0 H ARG A 3 -1.118 9.409 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.637 10.559 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.299 9.948 -6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.571 11.499 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.375 10.696 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.002 9.076 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.841 10.278 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.505 9.868 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.140 12.443 -7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.878 10.857 -10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.301 12.319 -11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.692 14.303 -8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.761 14.263 -10.639 1.00 0.00 H new ATOM 63 N PHE A 4 -4.821 8.338 -4.132 1.00 0.00 N ATOM 64 CA PHE A 4 -5.413 7.021 -4.022 1.00 0.00 C ATOM 65 C PHE A 4 -6.543 6.854 -5.034 1.00 0.00 C ATOM 66 O PHE A 4 -7.355 7.760 -5.236 1.00 0.00 O ATOM 67 CB PHE A 4 -5.906 6.792 -2.592 1.00 0.00 C ATOM 68 CG PHE A 4 -6.907 7.803 -2.102 1.00 0.00 C ATOM 69 CD1 PHE A 4 -6.488 9.026 -1.605 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.263 7.526 -2.124 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.400 9.951 -1.144 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.182 8.447 -1.666 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.750 9.662 -1.176 1.00 0.00 C ATOM 0 H PHE A 4 -5.456 9.104 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.657 6.269 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.353 5.800 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.047 6.797 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.434 9.258 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.606 6.576 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.059 10.900 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.237 8.217 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.467 10.386 -0.818 1.00 0.00 H new ATOM 83 N GLU A 5 -6.562 5.706 -5.691 1.00 0.00 N ATOM 84 CA GLU A 5 -7.527 5.409 -6.726 1.00 0.00 C ATOM 85 C GLU A 5 -8.142 4.055 -6.483 1.00 0.00 C ATOM 86 O GLU A 5 -7.563 3.024 -6.817 1.00 0.00 O ATOM 87 CB GLU A 5 -6.842 5.371 -8.085 1.00 0.00 C ATOM 88 CG GLU A 5 -5.785 6.435 -8.311 1.00 0.00 C ATOM 89 CD GLU A 5 -4.994 6.169 -9.574 1.00 0.00 C ATOM 90 OE1 GLU A 5 -4.540 5.019 -9.764 1.00 0.00 O ATOM 91 OE2 GLU A 5 -4.832 7.099 -10.391 1.00 0.00 O ATOM 0 H GLU A 5 -5.900 4.950 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.293 6.184 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.381 4.392 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.603 5.469 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.260 7.414 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.109 6.466 -7.456 1.00 0.00 H new ATOM 98 N ILE A 6 -9.320 4.051 -5.934 1.00 0.00 N ATOM 99 CA ILE A 6 -9.988 2.813 -5.657 1.00 0.00 C ATOM 100 C ILE A 6 -10.947 2.477 -6.784 1.00 0.00 C ATOM 101 O ILE A 6 -11.667 3.335 -7.294 1.00 0.00 O ATOM 102 CB ILE A 6 -10.797 2.883 -4.349 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.877 3.044 -3.139 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.697 1.646 -4.176 1.00 0.00 C ATOM 105 CD1 ILE A 6 -9.551 4.483 -2.809 1.00 0.00 C ATOM 0 H ILE A 6 -9.838 4.889 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.218 2.047 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.438 3.762 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.347 2.580 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.949 2.504 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.254 1.729 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.395 1.585 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.080 0.748 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.894 4.517 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.052 4.947 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.472 5.024 -2.590 1.00 0.00 H new ATOM 117 N HIS A 7 -10.918 1.235 -7.165 1.00 0.00 N ATOM 118 CA HIS A 7 -11.903 0.667 -8.062 1.00 0.00 C ATOM 119 C HIS A 7 -12.615 -0.434 -7.345 1.00 0.00 C ATOM 120 O HIS A 7 -12.142 -1.569 -7.327 1.00 0.00 O ATOM 121 CB HIS A 7 -11.274 0.054 -9.287 1.00 0.00 C ATOM 122 CG HIS A 7 -10.987 1.023 -10.390 1.00 0.00 C ATOM 123 ND1 HIS A 7 -11.618 0.976 -11.611 1.00 0.00 N ATOM 124 CD2 HIS A 7 -10.122 2.059 -10.457 1.00 0.00 C ATOM 125 CE1 HIS A 7 -11.152 1.939 -12.384 1.00 0.00 C ATOM 126 NE2 HIS A 7 -10.242 2.614 -11.707 1.00 0.00 N ATOM 0 H HIS A 7 -10.204 0.572 -6.863 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.569 1.473 -8.369 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.343 -0.432 -8.997 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.935 -0.725 -9.668 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.458 2.390 -9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.463 2.141 -13.399 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.715 3.415 -12.055 1.00 0.00 H new ATOM 135 N GLY A 8 -13.728 -0.141 -6.741 1.00 0.00 N ATOM 136 CA GLY A 8 -14.344 -1.172 -5.993 1.00 0.00 C ATOM 137 C GLY A 8 -15.513 -1.805 -6.733 1.00 0.00 C ATOM 138 O GLY A 8 -16.450 -1.111 -7.131 1.00 0.00 O ATOM 0 H GLY A 8 -14.203 0.762 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.606 -1.940 -5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.694 -0.769 -5.043 1.00 0.00 H new ATOM 142 N ASP A 9 -15.455 -3.117 -6.926 1.00 0.00 N ATOM 143 CA ASP A 9 -16.503 -3.849 -7.631 1.00 0.00 C ATOM 144 C ASP A 9 -17.377 -4.611 -6.643 1.00 0.00 C ATOM 145 O ASP A 9 -16.914 -4.998 -5.572 1.00 0.00 O ATOM 146 CB ASP A 9 -15.908 -4.830 -8.648 1.00 0.00 C ATOM 147 CG ASP A 9 -15.331 -4.145 -9.869 1.00 0.00 C ATOM 148 OD1 ASP A 9 -14.101 -4.218 -10.077 1.00 0.00 O ATOM 149 OD2 ASP A 9 -16.109 -3.536 -10.639 1.00 0.00 O ATOM 0 H ASP A 9 -14.685 -3.702 -6.601 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.111 -3.119 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.126 -5.415 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.682 -5.530 -8.963 1.00 0.00 H new ATOM 154 N ASN A 10 -18.647 -4.801 -7.014 1.00 0.00 N ATOM 155 CA ASN A 10 -19.644 -5.480 -6.170 1.00 0.00 C ATOM 156 C ASN A 10 -20.026 -4.614 -4.976 1.00 0.00 C ATOM 157 O ASN A 10 -21.205 -4.388 -4.708 1.00 0.00 O ATOM 158 CB ASN A 10 -19.146 -6.850 -5.693 1.00 0.00 C ATOM 159 CG ASN A 10 -18.941 -7.835 -6.829 1.00 0.00 C ATOM 160 OD1 ASN A 10 -18.032 -8.666 -6.785 1.00 0.00 O ATOM 161 ND2 ASN A 10 -19.783 -7.764 -7.847 1.00 0.00 N ATOM 0 H ASN A 10 -19.017 -4.488 -7.911 1.00 0.00 H new ATOM 0 HA ASN A 10 -20.530 -5.641 -6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -18.206 -6.722 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -19.863 -7.265 -4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -19.692 -8.411 -8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -20.523 -7.062 -7.848 1.00 0.00 H new ATOM 168 N LEU A 11 -19.023 -4.134 -4.263 1.00 0.00 N ATOM 169 CA LEU A 11 -19.232 -3.218 -3.164 1.00 0.00 C ATOM 170 C LEU A 11 -19.177 -1.792 -3.679 1.00 0.00 C ATOM 171 O LEU A 11 -18.110 -1.298 -4.051 1.00 0.00 O ATOM 172 CB LEU A 11 -18.167 -3.418 -2.085 1.00 0.00 C ATOM 173 CG LEU A 11 -18.286 -2.494 -0.869 1.00 0.00 C ATOM 174 CD1 LEU A 11 -19.565 -2.778 -0.100 1.00 0.00 C ATOM 175 CD2 LEU A 11 -17.074 -2.644 0.038 1.00 0.00 C ATOM 0 H LEU A 11 -18.045 -4.369 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 11 -20.210 -3.414 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -18.211 -4.451 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -17.185 -3.274 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.324 -1.465 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.629 -2.110 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.424 -2.615 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.561 -3.812 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.177 -1.980 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.004 -3.675 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.171 -2.385 -0.515 1.00 0.00 H new ATOM 187 N THR A 12 -20.326 -1.148 -3.729 1.00 0.00 N ATOM 188 CA THR A 12 -20.389 0.246 -4.114 1.00 0.00 C ATOM 189 C THR A 12 -19.863 1.120 -2.979 1.00 0.00 C ATOM 190 O THR A 12 -20.638 1.668 -2.193 1.00 0.00 O ATOM 191 CB THR A 12 -21.828 0.660 -4.483 1.00 0.00 C ATOM 192 OG1 THR A 12 -22.740 0.275 -3.441 1.00 0.00 O ATOM 193 CG2 THR A 12 -22.256 0.017 -5.794 1.00 0.00 C ATOM 0 H THR A 12 -21.228 -1.569 -3.508 1.00 0.00 H new ATOM 0 HA THR A 12 -19.765 0.386 -4.997 1.00 0.00 H new ATOM 0 HB THR A 12 -21.848 1.744 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.401 0.589 -2.577 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.274 0.323 -6.034 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.584 0.334 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.217 -1.068 -5.697 1.00 0.00 H new ATOM 201 N ILE A 13 -18.538 1.217 -2.886 1.00 0.00 N ATOM 202 CA ILE A 13 -17.893 1.964 -1.815 1.00 0.00 C ATOM 203 C ILE A 13 -18.381 3.407 -1.770 1.00 0.00 C ATOM 204 O ILE A 13 -18.492 4.082 -2.795 1.00 0.00 O ATOM 205 CB ILE A 13 -16.342 1.911 -1.906 1.00 0.00 C ATOM 206 CG1 ILE A 13 -15.835 2.091 -3.347 1.00 0.00 C ATOM 207 CG2 ILE A 13 -15.829 0.599 -1.333 1.00 0.00 C ATOM 208 CD1 ILE A 13 -15.719 3.531 -3.796 1.00 0.00 C ATOM 0 H ILE A 13 -17.890 0.784 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.179 1.476 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 13 -15.955 2.744 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.858 1.616 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -16.509 1.566 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.741 0.572 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.129 0.516 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -16.249 -0.233 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.355 3.564 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.697 4.009 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.021 4.060 -3.147 1.00 0.00 H new ATOM 220 N THR A 14 -18.714 3.859 -0.578 1.00 0.00 N ATOM 221 CA THR A 14 -19.237 5.195 -0.396 1.00 0.00 C ATOM 222 C THR A 14 -18.170 6.132 0.148 1.00 0.00 C ATOM 223 O THR A 14 -17.022 5.718 0.346 1.00 0.00 O ATOM 224 CB THR A 14 -20.454 5.185 0.543 1.00 0.00 C ATOM 225 OG1 THR A 14 -20.155 4.424 1.723 1.00 0.00 O ATOM 226 CG2 THR A 14 -21.670 4.598 -0.155 1.00 0.00 C ATOM 0 H THR A 14 -18.631 3.317 0.282 1.00 0.00 H new ATOM 0 HA THR A 14 -19.552 5.559 -1.374 1.00 0.00 H new ATOM 0 HB THR A 14 -20.680 6.214 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 14 -20.934 4.423 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 -22.519 4.601 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 14 -21.910 5.197 -1.034 1.00 0.00 H new ATOM 0 HG23 THR A 14 -21.455 3.574 -0.461 1.00 0.00 H new ATOM 234 N ASP A 15 -18.538 7.384 0.398 1.00 0.00 N ATOM 235 CA ASP A 15 -17.587 8.372 0.897 1.00 0.00 C ATOM 236 C ASP A 15 -17.013 7.934 2.238 1.00 0.00 C ATOM 237 O ASP A 15 -15.911 8.317 2.598 1.00 0.00 O ATOM 238 CB ASP A 15 -18.247 9.746 1.028 1.00 0.00 C ATOM 239 CG ASP A 15 -17.248 10.840 1.356 1.00 0.00 C ATOM 240 OD1 ASP A 15 -17.269 11.359 2.492 1.00 0.00 O ATOM 241 OD2 ASP A 15 -16.429 11.188 0.478 1.00 0.00 O ATOM 0 H ASP A 15 -19.485 7.738 0.264 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.772 8.449 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.757 9.991 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.008 9.707 1.807 1.00 0.00 H new ATOM 246 N ALA A 16 -17.770 7.107 2.951 1.00 0.00 N ATOM 247 CA ALA A 16 -17.346 6.542 4.231 1.00 0.00 C ATOM 248 C ALA A 16 -15.936 5.964 4.163 1.00 0.00 C ATOM 249 O ALA A 16 -15.007 6.466 4.794 1.00 0.00 O ATOM 250 CB ALA A 16 -18.304 5.439 4.633 1.00 0.00 C ATOM 0 H ALA A 16 -18.700 6.807 2.658 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.348 7.349 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.991 5.015 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.310 5.848 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.301 4.659 3.871 1.00 0.00 H new ATOM 256 N ILE A 17 -15.798 4.904 3.385 1.00 0.00 N ATOM 257 CA ILE A 17 -14.532 4.202 3.241 1.00 0.00 C ATOM 258 C ILE A 17 -13.546 5.045 2.472 1.00 0.00 C ATOM 259 O ILE A 17 -12.363 5.069 2.780 1.00 0.00 O ATOM 260 CB ILE A 17 -14.716 2.872 2.497 1.00 0.00 C ATOM 261 CG1 ILE A 17 -15.467 1.858 3.366 1.00 0.00 C ATOM 262 CG2 ILE A 17 -13.378 2.289 2.063 1.00 0.00 C ATOM 263 CD1 ILE A 17 -16.951 2.121 3.505 1.00 0.00 C ATOM 0 H ILE A 17 -16.559 4.505 2.835 1.00 0.00 H new ATOM 0 HA ILE A 17 -14.155 4.006 4.245 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.307 3.079 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.326 0.863 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.019 1.849 4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.544 1.348 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.874 2.990 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.757 2.111 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.399 1.354 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.106 3.100 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.418 2.099 2.520 1.00 0.00 H new ATOM 275 N ARG A 18 -14.052 5.723 1.453 1.00 0.00 N ATOM 276 CA ARG A 18 -13.208 6.563 0.646 1.00 0.00 C ATOM 277 C ARG A 18 -12.510 7.567 1.560 1.00 0.00 C ATOM 278 O ARG A 18 -11.304 7.791 1.465 1.00 0.00 O ATOM 279 CB ARG A 18 -14.015 7.287 -0.435 1.00 0.00 C ATOM 280 CG ARG A 18 -14.608 6.358 -1.482 1.00 0.00 C ATOM 281 CD ARG A 18 -15.534 7.101 -2.433 1.00 0.00 C ATOM 282 NE ARG A 18 -14.837 8.140 -3.193 1.00 0.00 N ATOM 283 CZ ARG A 18 -15.441 8.973 -4.042 1.00 0.00 C ATOM 284 NH1 ARG A 18 -16.753 8.904 -4.230 1.00 0.00 N ATOM 285 NH2 ARG A 18 -14.731 9.878 -4.704 1.00 0.00 N ATOM 0 H ARG A 18 -15.033 5.703 1.174 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.468 5.947 0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.821 7.846 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.371 8.014 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.804 5.889 -2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.159 5.558 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.986 6.390 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.347 7.554 -1.865 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.829 8.233 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.305 8.211 -3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.209 9.544 -4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.722 9.937 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.194 10.514 -5.353 1.00 0.00 H new ATOM 299 N ASN A 19 -13.292 8.125 2.480 1.00 0.00 N ATOM 300 CA ASN A 19 -12.778 8.987 3.531 1.00 0.00 C ATOM 301 C ASN A 19 -11.799 8.219 4.403 1.00 0.00 C ATOM 302 O ASN A 19 -10.708 8.692 4.646 1.00 0.00 O ATOM 303 CB ASN A 19 -13.926 9.529 4.391 1.00 0.00 C ATOM 304 CG ASN A 19 -13.448 10.381 5.550 1.00 0.00 C ATOM 305 OD1 ASN A 19 -13.192 9.878 6.641 1.00 0.00 O ATOM 306 ND2 ASN A 19 -13.346 11.680 5.330 1.00 0.00 N ATOM 0 H ASN A 19 -14.302 7.989 2.515 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.262 9.827 3.067 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.594 10.120 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.508 8.693 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.046 12.302 6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.568 12.060 4.410 1.00 0.00 H new ATOM 313 N TYR A 20 -12.196 7.024 4.840 1.00 0.00 N ATOM 314 CA TYR A 20 -11.352 6.162 5.683 1.00 0.00 C ATOM 315 C TYR A 20 -9.972 5.954 5.042 1.00 0.00 C ATOM 316 O TYR A 20 -8.938 5.921 5.716 1.00 0.00 O ATOM 317 CB TYR A 20 -12.032 4.795 5.874 1.00 0.00 C ATOM 318 CG TYR A 20 -11.726 4.117 7.193 1.00 0.00 C ATOM 319 CD1 TYR A 20 -12.707 3.396 7.863 1.00 0.00 C ATOM 320 CD2 TYR A 20 -10.467 4.199 7.771 1.00 0.00 C ATOM 321 CE1 TYR A 20 -12.440 2.776 9.067 1.00 0.00 C ATOM 322 CE2 TYR A 20 -10.194 3.582 8.975 1.00 0.00 C ATOM 323 CZ TYR A 20 -11.182 2.873 9.619 1.00 0.00 C ATOM 324 OH TYR A 20 -10.908 2.258 10.819 1.00 0.00 O ATOM 0 H TYR A 20 -13.108 6.623 4.623 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.222 6.651 6.649 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -13.111 4.926 5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.726 4.135 5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.695 3.319 7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.688 4.755 7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.214 2.218 9.573 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.208 3.655 9.410 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.974 2.424 11.066 1.00 0.00 H new ATOM 334 N ILE A 21 -9.974 5.857 3.722 1.00 0.00 N ATOM 335 CA ILE A 21 -8.779 5.569 2.981 1.00 0.00 C ATOM 336 C ILE A 21 -8.086 6.869 2.771 1.00 0.00 C ATOM 337 O ILE A 21 -6.865 6.950 2.669 1.00 0.00 O ATOM 338 CB ILE A 21 -9.121 4.966 1.618 1.00 0.00 C ATOM 339 CG1 ILE A 21 -9.851 3.632 1.793 1.00 0.00 C ATOM 340 CG2 ILE A 21 -7.867 4.787 0.768 1.00 0.00 C ATOM 341 CD1 ILE A 21 -10.225 2.962 0.488 1.00 0.00 C ATOM 0 H ILE A 21 -10.807 5.977 3.145 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.159 4.855 3.523 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.783 5.658 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.219 2.956 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.756 3.798 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.139 4.357 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.392 5.756 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.173 4.121 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.738 2.023 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.883 3.618 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.323 2.762 -0.090 1.00 0.00 H new ATOM 353 N GLU A 22 -8.901 7.902 2.748 1.00 0.00 N ATOM 354 CA GLU A 22 -8.396 9.221 2.558 1.00 0.00 C ATOM 355 C GLU A 22 -7.657 9.636 3.819 1.00 0.00 C ATOM 356 O GLU A 22 -6.715 10.418 3.784 1.00 0.00 O ATOM 357 CB GLU A 22 -9.509 10.219 2.202 1.00 0.00 C ATOM 358 CG GLU A 22 -8.991 11.592 1.793 1.00 0.00 C ATOM 359 CD GLU A 22 -10.061 12.467 1.166 1.00 0.00 C ATOM 360 OE1 GLU A 22 -10.772 13.173 1.910 1.00 0.00 O ATOM 361 OE2 GLU A 22 -10.186 12.466 -0.078 1.00 0.00 O ATOM 0 H GLU A 22 -9.913 7.842 2.859 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.710 9.224 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.107 9.808 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.173 10.331 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.584 12.097 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.170 11.469 1.087 1.00 0.00 H new ATOM 368 N GLU A 23 -8.092 9.061 4.931 1.00 0.00 N ATOM 369 CA GLU A 23 -7.436 9.249 6.208 1.00 0.00 C ATOM 370 C GLU A 23 -6.160 8.442 6.250 1.00 0.00 C ATOM 371 O GLU A 23 -5.122 8.947 6.643 1.00 0.00 O ATOM 372 CB GLU A 23 -8.338 8.804 7.347 1.00 0.00 C ATOM 373 CG GLU A 23 -9.766 9.267 7.194 1.00 0.00 C ATOM 374 CD GLU A 23 -10.611 8.905 8.396 1.00 0.00 C ATOM 375 OE1 GLU A 23 -10.721 9.746 9.317 1.00 0.00 O ATOM 376 OE2 GLU A 23 -11.144 7.776 8.449 1.00 0.00 O ATOM 0 H GLU A 23 -8.909 8.452 4.969 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.212 10.309 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.321 7.716 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.939 9.185 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.783 10.347 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.198 8.820 6.299 1.00 0.00 H new ATOM 383 N LYS A 24 -6.245 7.176 5.854 1.00 0.00 N ATOM 384 CA LYS A 24 -5.052 6.335 5.799 1.00 0.00 C ATOM 385 C LYS A 24 -3.988 6.967 4.897 1.00 0.00 C ATOM 386 O LYS A 24 -2.908 7.333 5.351 1.00 0.00 O ATOM 387 CB LYS A 24 -5.405 4.928 5.305 1.00 0.00 C ATOM 388 CG LYS A 24 -4.193 4.023 5.138 1.00 0.00 C ATOM 389 CD LYS A 24 -4.592 2.574 4.895 1.00 0.00 C ATOM 390 CE LYS A 24 -5.224 1.951 6.130 1.00 0.00 C ATOM 391 NZ LYS A 24 -4.333 2.038 7.320 1.00 0.00 N ATOM 0 H LYS A 24 -7.110 6.715 5.571 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.646 6.254 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.098 4.468 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.925 5.006 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.588 4.377 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.570 4.083 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.294 2.524 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.713 1.998 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.167 2.453 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.458 0.906 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.324 1.123 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.368 2.276 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.684 2.776 7.963 1.00 0.00 H new ATOM 405 N ILE A 25 -4.339 7.116 3.624 1.00 0.00 N ATOM 406 CA ILE A 25 -3.448 7.705 2.638 1.00 0.00 C ATOM 407 C ILE A 25 -3.103 9.130 3.038 1.00 0.00 C ATOM 408 O ILE A 25 -1.982 9.584 2.839 1.00 0.00 O ATOM 409 CB ILE A 25 -4.084 7.690 1.228 1.00 0.00 C ATOM 410 CG1 ILE A 25 -4.445 6.255 0.822 1.00 0.00 C ATOM 411 CG2 ILE A 25 -3.149 8.315 0.200 1.00 0.00 C ATOM 412 CD1 ILE A 25 -3.258 5.320 0.725 1.00 0.00 C ATOM 0 H ILE A 25 -5.245 6.833 3.251 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.537 7.108 2.604 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.996 8.286 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.153 5.852 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.954 6.279 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.621 8.292 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.941 9.348 0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.216 7.753 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.600 4.327 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.558 5.697 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.760 5.262 1.693 1.00 0.00 H new ATOM 424 N GLY A 26 -4.071 9.819 3.628 1.00 0.00 N ATOM 425 CA GLY A 26 -3.838 11.153 4.131 1.00 0.00 C ATOM 426 C GLY A 26 -2.845 11.179 5.274 1.00 0.00 C ATOM 427 O GLY A 26 -2.096 12.144 5.420 1.00 0.00 O ATOM 0 H GLY A 26 -5.020 9.472 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.471 11.784 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.783 11.581 4.466 1.00 0.00 H new ATOM 431 N LYS A 27 -2.794 10.113 6.066 1.00 0.00 N ATOM 432 CA LYS A 27 -1.903 10.080 7.200 1.00 0.00 C ATOM 433 C LYS A 27 -0.540 9.705 6.703 1.00 0.00 C ATOM 434 O LYS A 27 0.475 10.203 7.183 1.00 0.00 O ATOM 435 CB LYS A 27 -2.383 9.101 8.271 1.00 0.00 C ATOM 436 CG LYS A 27 -3.077 9.773 9.448 1.00 0.00 C ATOM 437 CD LYS A 27 -4.258 10.618 9.000 1.00 0.00 C ATOM 438 CE LYS A 27 -4.949 11.285 10.177 1.00 0.00 C ATOM 439 NZ LYS A 27 -6.130 12.081 9.747 1.00 0.00 N ATOM 0 H LYS A 27 -3.357 9.272 5.938 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.878 11.062 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.069 8.386 7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.529 8.533 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.420 9.013 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.363 10.400 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.916 11.380 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.972 9.991 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.264 10.525 10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.242 11.934 10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.574 12.520 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.826 12.823 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.817 11.457 9.277 1.00 0.00 H new ATOM 453 N LEU A 28 -0.535 8.846 5.696 1.00 0.00 N ATOM 454 CA LEU A 28 0.697 8.504 5.017 1.00 0.00 C ATOM 455 C LEU A 28 1.248 9.738 4.312 1.00 0.00 C ATOM 456 O LEU A 28 2.453 9.976 4.284 1.00 0.00 O ATOM 457 CB LEU A 28 0.440 7.379 4.040 1.00 0.00 C ATOM 458 CG LEU A 28 -0.327 6.240 4.676 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.770 5.229 3.631 1.00 0.00 C ATOM 460 CD2 LEU A 28 0.515 5.560 5.745 1.00 0.00 C ATOM 0 H LEU A 28 -1.366 8.377 5.335 1.00 0.00 H new ATOM 0 HA LEU A 28 1.440 8.164 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.120 7.761 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.390 7.007 3.657 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.218 6.657 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.319 4.421 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.415 5.719 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.105 4.821 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.053 4.744 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.425 5.165 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.777 6.284 6.517 1.00 0.00 H new ATOM 472 N GLU A 29 0.327 10.528 3.766 1.00 0.00 N ATOM 473 CA GLU A 29 0.648 11.804 3.147 1.00 0.00 C ATOM 474 C GLU A 29 1.171 12.793 4.182 1.00 0.00 C ATOM 475 O GLU A 29 2.045 13.598 3.892 1.00 0.00 O ATOM 476 CB GLU A 29 -0.593 12.378 2.458 1.00 0.00 C ATOM 477 CG GLU A 29 -0.390 13.764 1.867 1.00 0.00 C ATOM 478 CD GLU A 29 -1.657 14.323 1.261 1.00 0.00 C ATOM 479 OE1 GLU A 29 -1.823 14.231 0.028 1.00 0.00 O ATOM 480 OE2 GLU A 29 -2.503 14.851 2.016 1.00 0.00 O ATOM 0 H GLU A 29 -0.666 10.297 3.742 1.00 0.00 H new ATOM 0 HA GLU A 29 1.428 11.638 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.902 11.698 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.410 12.418 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.034 14.439 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.386 13.720 1.103 1.00 0.00 H new ATOM 487 N ARG A 30 0.638 12.741 5.395 1.00 0.00 N ATOM 488 CA ARG A 30 1.093 13.640 6.449 1.00 0.00 C ATOM 489 C ARG A 30 2.507 13.315 6.903 1.00 0.00 C ATOM 490 O ARG A 30 3.182 14.150 7.506 1.00 0.00 O ATOM 491 CB ARG A 30 0.142 13.641 7.623 1.00 0.00 C ATOM 492 CG ARG A 30 -1.208 14.274 7.325 1.00 0.00 C ATOM 493 CD ARG A 30 -1.073 15.741 6.944 1.00 0.00 C ATOM 494 NE ARG A 30 -2.345 16.315 6.510 1.00 0.00 N ATOM 495 CZ ARG A 30 -2.558 17.620 6.355 1.00 0.00 C ATOM 496 NH1 ARG A 30 -1.587 18.489 6.610 1.00 0.00 N ATOM 497 NH2 ARG A 30 -3.740 18.054 5.938 1.00 0.00 N ATOM 0 H ARG A 30 -0.101 12.095 5.673 1.00 0.00 H new ATOM 0 HA ARG A 30 1.107 14.643 6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.015 12.614 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.606 14.174 8.453 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.693 13.731 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.853 14.183 8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.694 16.303 7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.339 15.842 6.145 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.116 15.677 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.675 18.157 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.753 19.488 6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.486 17.388 5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.903 19.054 5.819 1.00 0.00 H new ATOM 511 N TYR A 31 2.962 12.112 6.605 1.00 0.00 N ATOM 512 CA TYR A 31 4.346 11.750 6.860 1.00 0.00 C ATOM 513 C TYR A 31 5.185 12.025 5.620 1.00 0.00 C ATOM 514 O TYR A 31 6.380 11.737 5.588 1.00 0.00 O ATOM 515 CB TYR A 31 4.471 10.272 7.243 1.00 0.00 C ATOM 516 CG TYR A 31 3.737 9.894 8.510 1.00 0.00 C ATOM 517 CD1 TYR A 31 2.809 8.863 8.511 1.00 0.00 C ATOM 518 CD2 TYR A 31 3.969 10.568 9.703 1.00 0.00 C ATOM 519 CE1 TYR A 31 2.131 8.512 9.661 1.00 0.00 C ATOM 520 CE2 TYR A 31 3.296 10.221 10.860 1.00 0.00 C ATOM 521 CZ TYR A 31 2.379 9.192 10.833 1.00 0.00 C ATOM 522 OH TYR A 31 1.705 8.842 11.981 1.00 0.00 O ATOM 0 H TYR A 31 2.398 11.372 6.188 1.00 0.00 H new ATOM 0 HA TYR A 31 4.706 12.353 7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.093 9.663 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.527 10.027 7.362 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.613 8.325 7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.686 11.375 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.410 7.708 9.642 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.488 10.753 11.780 1.00 0.00 H new ATOM 0 HH TYR A 31 1.995 9.417 12.719 1.00 0.00 H new ATOM 532 N PHE A 32 4.551 12.591 4.603 1.00 0.00 N ATOM 533 CA PHE A 32 5.181 12.770 3.313 1.00 0.00 C ATOM 534 C PHE A 32 5.132 14.209 2.855 1.00 0.00 C ATOM 535 O PHE A 32 4.072 14.827 2.831 1.00 0.00 O ATOM 536 CB PHE A 32 4.456 11.949 2.267 1.00 0.00 C ATOM 537 CG PHE A 32 4.947 10.533 2.103 1.00 0.00 C ATOM 538 CD1 PHE A 32 4.605 9.803 0.977 1.00 0.00 C ATOM 539 CD2 PHE A 32 5.743 9.933 3.067 1.00 0.00 C ATOM 540 CE1 PHE A 32 5.046 8.503 0.814 1.00 0.00 C ATOM 541 CE2 PHE A 32 6.187 8.635 2.910 1.00 0.00 C ATOM 542 CZ PHE A 32 5.839 7.920 1.781 1.00 0.00 C ATOM 0 H PHE A 32 3.592 12.935 4.653 1.00 0.00 H new ATOM 0 HA PHE A 32 6.219 12.456 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.396 11.921 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.540 12.458 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.986 10.255 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.019 10.488 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.770 7.945 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.806 8.180 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.187 6.905 1.655 1.00 0.00 H new ATOM 552 N ASN A 33 6.264 14.756 2.490 1.00 0.00 N ATOM 553 CA ASN A 33 6.249 16.022 1.799 1.00 0.00 C ATOM 554 C ASN A 33 6.975 15.922 0.466 1.00 0.00 C ATOM 555 O ASN A 33 6.464 16.360 -0.566 1.00 0.00 O ATOM 556 CB ASN A 33 6.837 17.139 2.664 1.00 0.00 C ATOM 557 CG ASN A 33 6.699 18.506 2.019 1.00 0.00 C ATOM 558 OD1 ASN A 33 5.680 19.179 2.179 1.00 0.00 O ATOM 559 ND2 ASN A 33 7.723 18.934 1.298 1.00 0.00 N ATOM 0 H ASN A 33 7.188 14.357 2.654 1.00 0.00 H new ATOM 0 HA ASN A 33 5.208 16.277 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.337 17.146 3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.891 16.933 2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.685 19.850 0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.550 18.347 1.189 1.00 0.00 H new ATOM 566 N ASP A 34 8.160 15.322 0.493 1.00 0.00 N ATOM 567 CA ASP A 34 9.002 15.217 -0.675 1.00 0.00 C ATOM 568 C ASP A 34 8.596 14.059 -1.577 1.00 0.00 C ATOM 569 O ASP A 34 9.418 13.515 -2.311 1.00 0.00 O ATOM 570 CB ASP A 34 10.480 15.084 -0.276 1.00 0.00 C ATOM 571 CG ASP A 34 10.804 13.763 0.402 1.00 0.00 C ATOM 572 OD1 ASP A 34 11.497 12.924 -0.212 1.00 0.00 O ATOM 573 OD2 ASP A 34 10.373 13.558 1.559 1.00 0.00 O ATOM 0 H ASP A 34 8.557 14.897 1.331 1.00 0.00 H new ATOM 0 HA ASP A 34 8.869 16.138 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.100 15.189 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.743 15.902 0.394 1.00 0.00 H new ATOM 578 N VAL A 35 7.330 13.690 -1.521 1.00 0.00 N ATOM 579 CA VAL A 35 6.827 12.577 -2.311 1.00 0.00 C ATOM 580 C VAL A 35 6.453 13.031 -3.724 1.00 0.00 C ATOM 581 O VAL A 35 5.496 13.782 -3.927 1.00 0.00 O ATOM 582 CB VAL A 35 5.617 11.876 -1.634 1.00 0.00 C ATOM 583 CG1 VAL A 35 4.478 12.846 -1.353 1.00 0.00 C ATOM 584 CG2 VAL A 35 5.131 10.713 -2.489 1.00 0.00 C ATOM 0 H VAL A 35 6.628 14.144 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 35 7.635 11.849 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 35 5.958 11.492 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.654 12.312 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.828 13.636 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.135 13.286 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.283 10.232 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.825 11.084 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.937 9.990 -2.611 1.00 0.00 H new ATOM 594 N PRO A 36 7.236 12.595 -4.720 1.00 0.00 N ATOM 595 CA PRO A 36 6.969 12.888 -6.128 1.00 0.00 C ATOM 596 C PRO A 36 5.677 12.234 -6.598 1.00 0.00 C ATOM 597 O PRO A 36 4.849 12.871 -7.248 1.00 0.00 O ATOM 598 CB PRO A 36 8.172 12.291 -6.869 1.00 0.00 C ATOM 599 CG PRO A 36 9.208 12.074 -5.822 1.00 0.00 C ATOM 600 CD PRO A 36 8.457 11.803 -4.554 1.00 0.00 C ATOM 0 HA PRO A 36 6.845 13.956 -6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.907 11.355 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO A 36 8.532 12.967 -7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.855 11.236 -6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.848 12.950 -5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.237 10.742 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.023 12.113 -3.675 1.00 0.00 H new ATOM 608 N ASN A 37 5.500 10.961 -6.259 1.00 0.00 N ATOM 609 CA ASN A 37 4.285 10.245 -6.617 1.00 0.00 C ATOM 610 C ASN A 37 4.101 8.999 -5.761 1.00 0.00 C ATOM 611 O ASN A 37 5.037 8.222 -5.567 1.00 0.00 O ATOM 612 CB ASN A 37 4.299 9.856 -8.100 1.00 0.00 C ATOM 613 CG ASN A 37 3.046 9.104 -8.513 1.00 0.00 C ATOM 614 OD1 ASN A 37 2.027 9.710 -8.845 1.00 0.00 O ATOM 615 ND2 ASN A 37 3.115 7.782 -8.507 1.00 0.00 N ATOM 0 H ASN A 37 6.181 10.407 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 37 3.447 10.917 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.397 10.755 -8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.174 9.238 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.305 7.228 -8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.978 7.318 -8.225 1.00 0.00 H new ATOM 622 N ALA A 38 2.898 8.841 -5.227 1.00 0.00 N ATOM 623 CA ALA A 38 2.502 7.623 -4.536 1.00 0.00 C ATOM 624 C ALA A 38 1.017 7.390 -4.792 1.00 0.00 C ATOM 625 O ALA A 38 0.224 8.313 -4.665 1.00 0.00 O ATOM 626 CB ALA A 38 2.791 7.742 -3.046 1.00 0.00 C ATOM 0 H ALA A 38 2.169 9.554 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 38 3.073 6.773 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.490 6.824 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.858 7.906 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.233 8.582 -2.633 1.00 0.00 H new ATOM 632 N VAL A 39 0.644 6.190 -5.199 1.00 0.00 N ATOM 633 CA VAL A 39 -0.708 5.892 -5.575 1.00 0.00 C ATOM 634 C VAL A 39 -1.233 4.706 -4.763 1.00 0.00 C ATOM 635 O VAL A 39 -0.449 3.911 -4.265 1.00 0.00 O ATOM 636 CB VAL A 39 -0.713 5.546 -7.078 1.00 0.00 C ATOM 637 CG1 VAL A 39 -1.781 4.537 -7.392 1.00 0.00 C ATOM 638 CG2 VAL A 39 -0.877 6.787 -7.924 1.00 0.00 C ATOM 0 H VAL A 39 1.281 5.397 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.353 6.748 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 39 0.253 5.103 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.764 4.309 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.599 3.625 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.756 4.943 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.877 6.511 -8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.820 7.274 -7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.052 7.472 -7.728 1.00 0.00 H new ATOM 648 N ALA A 40 -2.548 4.607 -4.618 1.00 0.00 N ATOM 649 CA ALA A 40 -3.175 3.395 -4.097 1.00 0.00 C ATOM 650 C ALA A 40 -4.326 2.987 -4.996 1.00 0.00 C ATOM 651 O ALA A 40 -5.464 3.397 -4.784 1.00 0.00 O ATOM 652 CB ALA A 40 -3.691 3.602 -2.679 1.00 0.00 C ATOM 0 H ALA A 40 -3.204 5.352 -4.854 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.420 2.609 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.152 2.681 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.861 3.870 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.430 4.403 -2.674 1.00 0.00 H new ATOM 658 N HIS A 41 -4.026 2.193 -6.002 1.00 0.00 N ATOM 659 CA HIS A 41 -5.035 1.699 -6.921 1.00 0.00 C ATOM 660 C HIS A 41 -5.634 0.428 -6.334 1.00 0.00 C ATOM 661 O HIS A 41 -5.057 -0.649 -6.457 1.00 0.00 O ATOM 662 CB HIS A 41 -4.399 1.426 -8.285 1.00 0.00 C ATOM 663 CG HIS A 41 -5.371 1.424 -9.420 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.679 2.556 -10.142 1.00 0.00 N ATOM 665 CD2 HIS A 41 -6.091 0.421 -9.968 1.00 0.00 C ATOM 666 CE1 HIS A 41 -6.550 2.250 -11.082 1.00 0.00 C ATOM 667 NE2 HIS A 41 -6.817 0.959 -11.002 1.00 0.00 N ATOM 0 H HIS A 41 -3.080 1.872 -6.207 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.824 2.438 -7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.635 2.180 -8.476 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.893 0.461 -8.252 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -5.293 3.485 -9.975 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.095 -0.612 -9.652 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.974 2.939 -11.797 1.00 0.00 H new ATOM 676 N VAL A 42 -6.779 0.552 -5.679 1.00 0.00 N ATOM 677 CA VAL A 42 -7.272 -0.488 -4.823 1.00 0.00 C ATOM 678 C VAL A 42 -8.632 -0.926 -5.249 1.00 0.00 C ATOM 679 O VAL A 42 -9.506 -0.133 -5.503 1.00 0.00 O ATOM 680 CB VAL A 42 -7.306 0.057 -3.410 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.436 -0.544 -2.627 1.00 0.00 C ATOM 682 CG2 VAL A 42 -5.988 -0.234 -2.754 1.00 0.00 C ATOM 0 H VAL A 42 -7.380 1.374 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.621 -1.360 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.473 1.134 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.437 -0.135 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.382 -0.308 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.311 -1.626 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.996 0.152 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.822 -1.311 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.187 0.245 -3.318 1.00 0.00 H new ATOM 692 N LYS A 43 -8.779 -2.200 -5.297 1.00 0.00 N ATOM 693 CA LYS A 43 -9.982 -2.821 -5.762 1.00 0.00 C ATOM 694 C LYS A 43 -10.563 -3.651 -4.653 1.00 0.00 C ATOM 695 O LYS A 43 -9.843 -4.124 -3.779 1.00 0.00 O ATOM 696 CB LYS A 43 -9.662 -3.665 -6.990 1.00 0.00 C ATOM 697 CG LYS A 43 -9.343 -2.830 -8.222 1.00 0.00 C ATOM 698 CD LYS A 43 -8.690 -3.646 -9.325 1.00 0.00 C ATOM 699 CE LYS A 43 -7.291 -4.097 -8.937 1.00 0.00 C ATOM 700 NZ LYS A 43 -6.577 -4.741 -10.072 1.00 0.00 N ATOM 0 H LYS A 43 -8.056 -2.860 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.721 -2.072 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.814 -4.312 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.510 -4.314 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.262 -2.382 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.681 -2.011 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.305 -4.518 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.641 -3.051 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.717 -3.238 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.354 -4.798 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.628 -5.033 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.110 -5.576 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.493 -4.065 -10.858 1.00 0.00 H new ATOM 714 N VAL A 44 -11.857 -3.791 -4.674 1.00 0.00 N ATOM 715 CA VAL A 44 -12.557 -4.514 -3.644 1.00 0.00 C ATOM 716 C VAL A 44 -13.762 -5.190 -4.289 1.00 0.00 C ATOM 717 O VAL A 44 -14.199 -4.769 -5.352 1.00 0.00 O ATOM 718 CB VAL A 44 -13.024 -3.557 -2.532 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.246 -2.802 -2.985 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.296 -4.301 -1.239 1.00 0.00 C ATOM 0 H VAL A 44 -12.459 -3.409 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.896 -5.254 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.223 -2.845 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.571 -2.127 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.007 -2.225 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -15.046 -3.507 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.624 -3.596 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.075 -5.045 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.385 -4.798 -0.907 1.00 0.00 H new ATOM 730 N LYS A 45 -14.250 -6.246 -3.673 1.00 0.00 N ATOM 731 CA LYS A 45 -15.314 -7.075 -4.231 1.00 0.00 C ATOM 732 C LYS A 45 -16.026 -7.823 -3.107 1.00 0.00 C ATOM 733 O LYS A 45 -15.421 -8.644 -2.422 1.00 0.00 O ATOM 734 CB LYS A 45 -14.730 -8.098 -5.217 1.00 0.00 C ATOM 735 CG LYS A 45 -14.181 -7.489 -6.496 1.00 0.00 C ATOM 736 CD LYS A 45 -13.200 -8.419 -7.184 1.00 0.00 C ATOM 737 CE LYS A 45 -12.603 -7.770 -8.420 1.00 0.00 C ATOM 738 NZ LYS A 45 -11.537 -8.605 -9.030 1.00 0.00 N ATOM 0 H LYS A 45 -13.920 -6.562 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.019 -6.430 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.933 -8.650 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.505 -8.820 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.004 -7.262 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.688 -6.545 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.403 -8.689 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.706 -9.343 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.390 -7.595 -9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.193 -6.796 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.359 -8.284 -10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.664 -8.516 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.840 -9.600 -9.043 1.00 0.00 H new ATOM 752 N THR A 46 -17.293 -7.514 -2.890 1.00 0.00 N ATOM 753 CA THR A 46 -18.083 -8.239 -1.910 1.00 0.00 C ATOM 754 C THR A 46 -19.574 -8.030 -2.131 1.00 0.00 C ATOM 755 O THR A 46 -20.021 -6.930 -2.472 1.00 0.00 O ATOM 756 CB THR A 46 -17.723 -7.834 -0.464 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.522 -8.560 0.476 1.00 0.00 O ATOM 758 CG2 THR A 46 -17.917 -6.346 -0.240 1.00 0.00 C ATOM 0 H THR A 46 -17.794 -6.770 -3.376 1.00 0.00 H new ATOM 0 HA THR A 46 -17.845 -9.294 -2.047 1.00 0.00 H new ATOM 0 HB THR A 46 -16.671 -8.076 -0.313 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.217 -8.362 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.655 -6.096 0.788 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.277 -5.789 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.959 -6.083 -0.423 1.00 0.00 H new ATOM 766 N TYR A 47 -20.332 -9.096 -1.964 1.00 0.00 N ATOM 767 CA TYR A 47 -21.774 -8.997 -1.885 1.00 0.00 C ATOM 768 C TYR A 47 -22.221 -9.763 -0.646 1.00 0.00 C ATOM 769 O TYR A 47 -22.914 -10.777 -0.730 1.00 0.00 O ATOM 770 CB TYR A 47 -22.415 -9.561 -3.160 1.00 0.00 C ATOM 771 CG TYR A 47 -23.853 -9.140 -3.368 1.00 0.00 C ATOM 772 CD1 TYR A 47 -24.169 -7.823 -3.677 1.00 0.00 C ATOM 773 CD2 TYR A 47 -24.892 -10.057 -3.272 1.00 0.00 C ATOM 774 CE1 TYR A 47 -25.477 -7.431 -3.881 1.00 0.00 C ATOM 775 CE2 TYR A 47 -26.205 -9.672 -3.473 1.00 0.00 C ATOM 776 CZ TYR A 47 -26.491 -8.358 -3.777 1.00 0.00 C ATOM 777 OH TYR A 47 -27.796 -7.970 -3.984 1.00 0.00 O ATOM 0 H TYR A 47 -19.969 -10.046 -1.880 1.00 0.00 H new ATOM 0 HA TYR A 47 -22.090 -7.957 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -21.827 -9.243 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.368 -10.649 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -23.377 -7.093 -3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -24.671 -11.088 -3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -25.704 -6.403 -4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -27.002 -10.397 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 47 -28.388 -8.743 -3.875 1.00 0.00 H new ATOM 787 N SER A 48 -21.806 -9.235 0.503 1.00 0.00 N ATOM 788 CA SER A 48 -22.013 -9.846 1.816 1.00 0.00 C ATOM 789 C SER A 48 -21.422 -8.930 2.886 1.00 0.00 C ATOM 790 O SER A 48 -20.585 -8.078 2.585 1.00 0.00 O ATOM 791 CB SER A 48 -21.331 -11.223 1.914 1.00 0.00 C ATOM 792 OG SER A 48 -22.020 -12.215 1.174 1.00 0.00 O ATOM 0 H SER A 48 -21.304 -8.348 0.549 1.00 0.00 H new ATOM 0 HA SER A 48 -23.084 -9.982 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 48 -20.307 -11.146 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 48 -21.275 -11.525 2.960 1.00 0.00 H new ATOM 0 HG SER A 48 -22.702 -11.790 0.613 1.00 0.00 H new ATOM 798 N ASN A 49 -21.849 -9.107 4.128 1.00 0.00 N ATOM 799 CA ASN A 49 -21.329 -8.309 5.236 1.00 0.00 C ATOM 800 C ASN A 49 -20.184 -9.029 5.935 1.00 0.00 C ATOM 801 O ASN A 49 -19.603 -8.512 6.888 1.00 0.00 O ATOM 802 CB ASN A 49 -22.437 -7.993 6.247 1.00 0.00 C ATOM 803 CG ASN A 49 -23.390 -6.913 5.767 1.00 0.00 C ATOM 804 OD1 ASN A 49 -24.582 -6.939 6.077 1.00 0.00 O ATOM 805 ND2 ASN A 49 -22.872 -5.936 5.036 1.00 0.00 N ATOM 0 H ASN A 49 -22.553 -9.794 4.397 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.953 -7.374 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -23.002 -8.902 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.984 -7.678 7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -23.465 -5.173 4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -21.880 -5.948 4.799 1.00 0.00 H new ATOM 812 N SER A 50 -19.856 -10.218 5.454 1.00 0.00 N ATOM 813 CA SER A 50 -18.803 -11.018 6.058 1.00 0.00 C ATOM 814 C SER A 50 -17.603 -11.123 5.133 1.00 0.00 C ATOM 815 O SER A 50 -16.696 -11.929 5.338 1.00 0.00 O ATOM 816 CB SER A 50 -19.322 -12.402 6.449 1.00 0.00 C ATOM 817 OG SER A 50 -18.378 -13.096 7.247 1.00 0.00 O ATOM 0 H SER A 50 -20.305 -10.650 4.646 1.00 0.00 H new ATOM 0 HA SER A 50 -18.479 -10.515 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.260 -12.301 6.995 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.537 -12.980 5.550 1.00 0.00 H new ATOM 0 HG SER A 50 -17.695 -12.469 7.565 1.00 0.00 H new ATOM 823 N ALA A 51 -17.622 -10.320 4.102 1.00 0.00 N ATOM 824 CA ALA A 51 -16.558 -10.337 3.114 1.00 0.00 C ATOM 825 C ALA A 51 -16.163 -8.951 2.693 1.00 0.00 C ATOM 826 O ALA A 51 -16.973 -8.024 2.710 1.00 0.00 O ATOM 827 CB ALA A 51 -16.969 -11.075 1.859 1.00 0.00 C ATOM 0 H ALA A 51 -18.361 -9.642 3.918 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.722 -10.841 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.146 -11.065 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.220 -12.106 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.838 -10.587 1.418 1.00 0.00 H new ATOM 833 N THR A 52 -14.904 -8.822 2.329 1.00 0.00 N ATOM 834 CA THR A 52 -14.476 -7.791 1.471 1.00 0.00 C ATOM 835 C THR A 52 -13.205 -8.220 0.755 1.00 0.00 C ATOM 836 O THR A 52 -12.121 -8.144 1.323 1.00 0.00 O ATOM 837 CB THR A 52 -14.243 -6.451 2.173 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.692 -6.553 3.500 1.00 0.00 O ATOM 839 CG2 THR A 52 -14.990 -5.331 1.475 1.00 0.00 C ATOM 0 H THR A 52 -14.159 -9.447 2.636 1.00 0.00 H new ATOM 0 HA THR A 52 -15.288 -7.626 0.762 1.00 0.00 H new ATOM 0 HB THR A 52 -13.178 -6.220 2.145 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.999 -5.676 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.806 -4.391 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.643 -5.249 0.445 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.058 -5.547 1.482 1.00 0.00 H new ATOM 847 N LYS A 53 -13.340 -8.710 -0.468 1.00 0.00 N ATOM 848 CA LYS A 53 -12.186 -9.146 -1.238 1.00 0.00 C ATOM 849 C LYS A 53 -11.510 -7.926 -1.834 1.00 0.00 C ATOM 850 O LYS A 53 -12.178 -7.039 -2.325 1.00 0.00 O ATOM 851 CB LYS A 53 -12.627 -10.106 -2.341 1.00 0.00 C ATOM 852 CG LYS A 53 -13.514 -11.234 -1.840 1.00 0.00 C ATOM 853 CD LYS A 53 -14.111 -12.024 -2.989 1.00 0.00 C ATOM 854 CE LYS A 53 -15.093 -13.072 -2.495 1.00 0.00 C ATOM 855 NZ LYS A 53 -15.705 -13.829 -3.618 1.00 0.00 N ATOM 0 H LYS A 53 -14.234 -8.815 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.483 -9.671 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.162 -9.546 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.744 -10.532 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.932 -11.900 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.315 -10.823 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.617 -11.344 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.313 -12.509 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.580 -13.764 -1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.877 -12.589 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.369 -14.534 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.216 -13.172 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.959 -14.311 -4.159 1.00 0.00 H new ATOM 869 N ILE A 54 -10.204 -7.868 -1.759 1.00 0.00 N ATOM 870 CA ILE A 54 -9.475 -6.692 -2.184 1.00 0.00 C ATOM 871 C ILE A 54 -8.372 -7.003 -3.153 1.00 0.00 C ATOM 872 O ILE A 54 -7.924 -8.148 -3.281 1.00 0.00 O ATOM 873 CB ILE A 54 -8.832 -5.956 -1.006 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.211 -6.921 0.022 1.00 0.00 C ATOM 875 CG2 ILE A 54 -9.868 -5.076 -0.405 1.00 0.00 C ATOM 876 CD1 ILE A 54 -9.184 -7.484 1.041 1.00 0.00 C ATOM 0 H ILE A 54 -9.618 -8.624 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.228 -6.069 -2.667 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.996 -5.353 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.749 -7.750 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.414 -6.400 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.441 -4.536 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.218 -4.364 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.706 -5.683 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.654 -8.151 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.629 -6.667 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.969 -8.039 0.527 1.00 0.00 H new ATOM 888 N GLU A 55 -7.935 -5.955 -3.823 1.00 0.00 N ATOM 889 CA GLU A 55 -6.818 -6.015 -4.691 1.00 0.00 C ATOM 890 C GLU A 55 -6.198 -4.642 -4.731 1.00 0.00 C ATOM 891 O GLU A 55 -6.699 -3.742 -5.383 1.00 0.00 O ATOM 892 CB GLU A 55 -7.252 -6.407 -6.076 1.00 0.00 C ATOM 893 CG GLU A 55 -7.365 -7.904 -6.310 1.00 0.00 C ATOM 894 CD GLU A 55 -8.063 -8.243 -7.610 1.00 0.00 C ATOM 895 OE1 GLU A 55 -7.437 -8.092 -8.680 1.00 0.00 O ATOM 896 OE2 GLU A 55 -9.239 -8.675 -7.567 1.00 0.00 O ATOM 0 H GLU A 55 -8.366 -5.032 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.104 -6.757 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.219 -5.948 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.543 -5.994 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.367 -8.343 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.910 -8.357 -5.481 1.00 0.00 H new ATOM 903 N VAL A 56 -5.090 -4.507 -4.083 1.00 0.00 N ATOM 904 CA VAL A 56 -4.450 -3.219 -3.934 1.00 0.00 C ATOM 905 C VAL A 56 -3.302 -3.169 -4.880 1.00 0.00 C ATOM 906 O VAL A 56 -2.721 -4.191 -5.227 1.00 0.00 O ATOM 907 CB VAL A 56 -3.905 -2.974 -2.487 1.00 0.00 C ATOM 908 CG1 VAL A 56 -4.015 -4.235 -1.717 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.444 -2.464 -2.495 1.00 0.00 C ATOM 0 H VAL A 56 -4.593 -5.278 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.194 -2.449 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.505 -2.195 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.638 -4.078 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.059 -4.543 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.428 -5.012 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.108 -2.308 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.804 -3.202 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.390 -1.523 -3.042 1.00 0.00 H new ATOM 919 N THR A 57 -3.017 -1.997 -5.317 1.00 0.00 N ATOM 920 CA THR A 57 -1.785 -1.740 -6.012 1.00 0.00 C ATOM 921 C THR A 57 -1.372 -0.308 -5.754 1.00 0.00 C ATOM 922 O THR A 57 -1.964 0.634 -6.265 1.00 0.00 O ATOM 923 CB THR A 57 -1.899 -1.980 -7.532 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.544 -3.235 -7.786 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.527 -1.974 -8.193 1.00 0.00 C ATOM 0 H THR A 57 -3.622 -1.183 -5.209 1.00 0.00 H new ATOM 0 HA THR A 57 -1.036 -2.437 -5.635 1.00 0.00 H new ATOM 0 HB THR A 57 -2.493 -1.170 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.899 -3.242 -8.700 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.638 -2.145 -9.264 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.048 -1.009 -8.028 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.088 -2.763 -7.761 1.00 0.00 H new ATOM 933 N ILE A 58 -0.354 -0.171 -4.957 1.00 0.00 N ATOM 934 CA ILE A 58 0.065 1.096 -4.418 1.00 0.00 C ATOM 935 C ILE A 58 1.482 1.438 -4.927 1.00 0.00 C ATOM 936 O ILE A 58 2.492 1.054 -4.326 1.00 0.00 O ATOM 937 CB ILE A 58 0.045 0.960 -2.879 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.392 0.960 -2.354 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.850 2.054 -2.192 1.00 0.00 C ATOM 940 CD1 ILE A 58 -1.503 0.634 -0.881 1.00 0.00 C ATOM 0 H ILE A 58 0.225 -0.955 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.597 1.902 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 58 0.515 0.006 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.835 1.939 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.977 0.236 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.805 1.915 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.888 2.004 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.434 3.028 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.551 0.653 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.091 -0.358 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.947 1.372 -0.302 1.00 0.00 H new ATOM 952 N PRO A 59 1.569 2.085 -6.097 1.00 0.00 N ATOM 953 CA PRO A 59 2.826 2.596 -6.660 1.00 0.00 C ATOM 954 C PRO A 59 3.377 3.811 -5.925 1.00 0.00 C ATOM 955 O PRO A 59 2.860 4.917 -6.060 1.00 0.00 O ATOM 956 CB PRO A 59 2.438 3.008 -8.091 1.00 0.00 C ATOM 957 CG PRO A 59 1.148 2.321 -8.346 1.00 0.00 C ATOM 958 CD PRO A 59 0.461 2.299 -7.020 1.00 0.00 C ATOM 0 HA PRO A 59 3.610 1.842 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.334 4.090 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.198 2.703 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.556 2.854 -9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.305 1.312 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.062 3.234 -6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.279 1.501 -6.959 1.00 0.00 H new ATOM 966 N LEU A 60 4.428 3.601 -5.153 1.00 0.00 N ATOM 967 CA LEU A 60 5.214 4.697 -4.619 1.00 0.00 C ATOM 968 C LEU A 60 6.382 4.940 -5.559 1.00 0.00 C ATOM 969 O LEU A 60 6.478 4.281 -6.598 1.00 0.00 O ATOM 970 CB LEU A 60 5.728 4.389 -3.210 1.00 0.00 C ATOM 971 CG LEU A 60 4.829 4.847 -2.056 1.00 0.00 C ATOM 972 CD1 LEU A 60 3.514 4.090 -2.060 1.00 0.00 C ATOM 973 CD2 LEU A 60 5.542 4.669 -0.723 1.00 0.00 C ATOM 0 H LEU A 60 4.758 2.675 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 60 4.587 5.585 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.876 3.312 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.706 4.855 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 60 4.611 5.906 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.894 4.433 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.994 4.269 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.708 3.023 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.890 4.999 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.792 3.617 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.456 5.263 -0.717 1.00 0.00 H new ATOM 985 N LYS A 61 7.254 5.883 -5.226 1.00 0.00 N ATOM 986 CA LYS A 61 8.397 6.174 -6.054 1.00 0.00 C ATOM 987 C LYS A 61 9.238 4.939 -6.196 1.00 0.00 C ATOM 988 O LYS A 61 9.466 4.420 -7.289 1.00 0.00 O ATOM 989 CB LYS A 61 9.300 7.174 -5.376 1.00 0.00 C ATOM 990 CG LYS A 61 8.598 8.312 -4.651 1.00 0.00 C ATOM 991 CD LYS A 61 8.400 8.016 -3.166 1.00 0.00 C ATOM 992 CE LYS A 61 9.727 7.902 -2.418 1.00 0.00 C ATOM 993 NZ LYS A 61 10.504 9.172 -2.441 1.00 0.00 N ATOM 0 H LYS A 61 7.183 6.456 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 61 8.022 6.545 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.926 6.643 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.966 7.601 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.181 9.226 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.629 8.493 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.799 8.806 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.841 7.087 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.534 7.616 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.324 7.106 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.308 9.099 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.857 9.345 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.890 9.960 -2.150 1.00 0.00 H new ATOM 1007 N ASN A 62 9.690 4.482 -5.041 1.00 0.00 N ATOM 1008 CA ASN A 62 10.728 3.504 -4.983 1.00 0.00 C ATOM 1009 C ASN A 62 10.173 2.108 -5.245 1.00 0.00 C ATOM 1010 O ASN A 62 10.759 1.322 -5.987 1.00 0.00 O ATOM 1011 CB ASN A 62 11.426 3.562 -3.645 1.00 0.00 C ATOM 1012 CG ASN A 62 12.819 2.949 -3.650 1.00 0.00 C ATOM 1013 OD1 ASN A 62 13.293 2.465 -2.623 1.00 0.00 O ATOM 1014 ND2 ASN A 62 13.493 2.975 -4.791 1.00 0.00 N ATOM 0 H ASN A 62 9.342 4.784 -4.131 1.00 0.00 H new ATOM 0 HA ASN A 62 11.456 3.726 -5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.499 4.603 -3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.815 3.046 -2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.435 2.586 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.070 3.384 -5.624 1.00 0.00 H new ATOM 1021 N VAL A 63 9.022 1.818 -4.645 1.00 0.00 N ATOM 1022 CA VAL A 63 8.404 0.507 -4.759 1.00 0.00 C ATOM 1023 C VAL A 63 6.896 0.614 -5.023 1.00 0.00 C ATOM 1024 O VAL A 63 6.251 1.590 -4.648 1.00 0.00 O ATOM 1025 CB VAL A 63 8.662 -0.318 -3.478 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.985 0.316 -2.272 1.00 0.00 C ATOM 1027 CG2 VAL A 63 8.230 -1.770 -3.643 1.00 0.00 C ATOM 0 H VAL A 63 8.498 2.480 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 63 8.857 -0.000 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 63 9.738 -0.315 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.184 -0.286 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.376 1.322 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.910 0.366 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.428 -2.316 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.164 -1.809 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.789 -2.225 -4.461 1.00 0.00 H new ATOM 1037 N THR A 64 6.361 -0.402 -5.679 1.00 0.00 N ATOM 1038 CA THR A 64 4.939 -0.493 -5.978 1.00 0.00 C ATOM 1039 C THR A 64 4.355 -1.752 -5.336 1.00 0.00 C ATOM 1040 O THR A 64 4.753 -2.863 -5.686 1.00 0.00 O ATOM 1041 CB THR A 64 4.713 -0.551 -7.503 1.00 0.00 C ATOM 1042 OG1 THR A 64 5.249 0.629 -8.121 1.00 0.00 O ATOM 1043 CG2 THR A 64 3.235 -0.687 -7.841 1.00 0.00 C ATOM 0 H THR A 64 6.904 -1.194 -6.022 1.00 0.00 H new ATOM 0 HA THR A 64 4.443 0.390 -5.576 1.00 0.00 H new ATOM 0 HB THR A 64 5.229 -1.431 -7.887 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.104 0.586 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.111 -0.725 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.843 -1.603 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.691 0.169 -7.443 1.00 0.00 H new ATOM 1051 N LEU A 65 3.437 -1.594 -4.392 1.00 0.00 N ATOM 1052 CA LEU A 65 2.851 -2.758 -3.739 1.00 0.00 C ATOM 1053 C LEU A 65 1.583 -3.200 -4.411 1.00 0.00 C ATOM 1054 O LEU A 65 0.913 -2.429 -5.079 1.00 0.00 O ATOM 1055 CB LEU A 65 2.549 -2.531 -2.256 1.00 0.00 C ATOM 1056 CG LEU A 65 3.788 -2.546 -1.342 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.541 -1.215 -1.332 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.397 -2.953 0.064 1.00 0.00 C ATOM 0 H LEU A 65 3.088 -0.693 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 65 3.612 -3.534 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.042 -1.572 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.854 -3.300 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 65 4.476 -3.284 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.403 -1.290 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.878 -0.980 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.879 -0.425 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.282 -2.960 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.671 -2.243 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.956 -3.950 0.045 1.00 0.00 H new ATOM 1070 N ARG A 66 1.297 -4.466 -4.262 1.00 0.00 N ATOM 1071 CA ARG A 66 0.026 -5.011 -4.618 1.00 0.00 C ATOM 1072 C ARG A 66 -0.400 -6.058 -3.615 1.00 0.00 C ATOM 1073 O ARG A 66 0.426 -6.806 -3.092 1.00 0.00 O ATOM 1074 CB ARG A 66 0.139 -5.630 -5.980 1.00 0.00 C ATOM 1075 CG ARG A 66 -1.103 -6.378 -6.447 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.432 -6.088 -7.903 1.00 0.00 C ATOM 1077 NE ARG A 66 -0.320 -6.378 -8.805 1.00 0.00 N ATOM 1078 CZ ARG A 66 -0.189 -5.828 -10.012 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -1.082 -4.945 -10.445 1.00 0.00 N ATOM 1080 NH2 ARG A 66 0.838 -6.156 -10.782 1.00 0.00 N ATOM 0 H ARG A 66 1.952 -5.151 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.722 -4.219 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.367 -4.846 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.983 -6.320 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.951 -7.449 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.951 -6.098 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.298 -6.680 -8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.712 -5.040 -8.005 1.00 0.00 H new ATOM 0 HE ARG A 66 0.394 -7.037 -8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.871 -4.686 -9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.978 -4.526 -11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.529 -6.830 -10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.938 -5.735 -11.706 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.680 -6.100 -3.352 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.245 -7.175 -2.516 1.00 0.00 C ATOM 1096 C ALA A 67 -3.591 -7.639 -3.044 1.00 0.00 C ATOM 1097 O ALA A 67 -4.564 -6.899 -3.030 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.362 -6.785 -1.040 1.00 0.00 C ATOM 0 H ALA A 67 -2.360 -5.420 -3.691 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.538 -8.002 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.784 -7.617 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.374 -6.545 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.011 -5.915 -0.944 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.632 -8.870 -3.502 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.850 -9.445 -4.053 1.00 0.00 C ATOM 1106 C GLU A 68 -5.360 -10.549 -3.127 1.00 0.00 C ATOM 1107 O GLU A 68 -4.987 -11.715 -3.261 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.583 -9.979 -5.466 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.291 -10.775 -5.591 1.00 0.00 C ATOM 1110 CD GLU A 68 -3.065 -11.306 -6.991 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -2.252 -10.714 -7.732 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -3.700 -12.317 -7.356 1.00 0.00 O ATOM 0 H GLU A 68 -2.831 -9.501 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.620 -8.677 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.418 -10.611 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.550 -9.140 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.450 -10.142 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.314 -11.609 -4.890 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.220 -10.173 -2.189 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.604 -11.071 -1.105 1.00 0.00 C ATOM 1121 C GLU A 69 -8.098 -11.011 -0.820 1.00 0.00 C ATOM 1122 O GLU A 69 -8.752 -10.006 -1.078 1.00 0.00 O ATOM 1123 CB GLU A 69 -5.839 -10.713 0.171 1.00 0.00 C ATOM 1124 CG GLU A 69 -4.369 -11.091 0.141 1.00 0.00 C ATOM 1125 CD GLU A 69 -4.153 -12.589 0.207 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -4.552 -13.205 1.218 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -3.562 -13.156 -0.737 1.00 0.00 O ATOM 0 H GLU A 69 -6.664 -9.255 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.355 -12.084 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.923 -9.640 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.313 -11.210 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.916 -10.702 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.858 -10.616 0.979 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.625 -12.104 -0.301 1.00 0.00 N ATOM 1135 CA ARG A 70 -9.997 -12.156 0.166 1.00 0.00 C ATOM 1136 C ARG A 70 -10.018 -12.333 1.686 1.00 0.00 C ATOM 1137 O ARG A 70 -9.209 -13.085 2.239 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.720 -13.320 -0.512 1.00 0.00 C ATOM 1139 CG ARG A 70 -10.127 -14.682 -0.182 1.00 0.00 C ATOM 1140 CD ARG A 70 -10.899 -15.813 -0.839 1.00 0.00 C ATOM 1141 NE ARG A 70 -12.224 -15.992 -0.249 1.00 0.00 N ATOM 1142 CZ ARG A 70 -12.849 -17.167 -0.172 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -12.269 -18.264 -0.646 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -14.050 -17.244 0.387 1.00 0.00 N ATOM 0 H ARG A 70 -8.114 -12.980 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.505 -11.225 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.769 -13.308 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.693 -13.174 -1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.088 -14.714 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.125 -14.824 0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.002 -15.609 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.333 -16.740 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.698 -15.170 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.343 -18.209 -1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.750 -19.162 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.495 -16.404 0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.528 -18.143 0.446 1.00 0.00 H new ATOM 1158 N ASN A 71 -10.921 -11.630 2.355 1.00 0.00 N ATOM 1159 CA ASN A 71 -11.072 -11.752 3.802 1.00 0.00 C ATOM 1160 C ASN A 71 -12.385 -11.104 4.225 1.00 0.00 C ATOM 1161 O ASN A 71 -13.087 -10.533 3.388 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.892 -11.090 4.532 1.00 0.00 C ATOM 1163 CG ASN A 71 -9.667 -11.590 5.903 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -10.514 -12.225 6.534 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -8.515 -11.252 6.385 1.00 0.00 N ATOM 0 H ASN A 71 -11.562 -10.967 1.920 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.083 -12.808 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.985 -11.246 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.063 -10.014 4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.265 -11.512 7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.857 -10.726 5.811 1.00 0.00 H new ATOM 1172 N ASP A 72 -12.725 -11.195 5.502 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.932 -10.562 6.020 1.00 0.00 C ATOM 1174 C ASP A 72 -13.787 -9.047 5.948 1.00 0.00 C ATOM 1175 O ASP A 72 -14.720 -8.335 5.581 1.00 0.00 O ATOM 1176 CB ASP A 72 -14.184 -10.998 7.470 1.00 0.00 C ATOM 1177 CG ASP A 72 -15.547 -10.573 7.999 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -16.387 -11.460 8.277 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -15.783 -9.360 8.159 1.00 0.00 O ATOM 0 H ASP A 72 -12.182 -11.702 6.201 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.782 -10.871 5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.099 -12.083 7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.407 -10.578 8.109 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.590 -8.573 6.274 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.297 -7.148 6.316 1.00 0.00 C ATOM 1186 C ASP A 73 -11.408 -6.715 5.197 1.00 0.00 C ATOM 1187 O ASP A 73 -10.261 -7.135 5.048 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.654 -6.763 7.647 1.00 0.00 C ATOM 1189 CG ASP A 73 -12.655 -6.576 8.765 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -12.856 -7.518 9.557 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -13.234 -5.474 8.871 1.00 0.00 O ATOM 0 H ASP A 73 -11.797 -9.167 6.516 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.253 -6.635 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.940 -7.535 7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.090 -5.840 7.516 1.00 0.00 H new ATOM 1196 N LEU A 74 -12.013 -5.880 4.402 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.350 -4.974 3.515 1.00 0.00 C ATOM 1198 C LEU A 74 -10.134 -4.378 4.160 1.00 0.00 C ATOM 1199 O LEU A 74 -9.034 -4.360 3.610 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.347 -3.854 3.299 1.00 0.00 C ATOM 1201 CG LEU A 74 -11.817 -2.507 2.794 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -10.936 -2.692 1.587 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -12.970 -1.570 2.473 1.00 0.00 C ATOM 0 H LEU A 74 -13.030 -5.811 4.354 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.037 -5.481 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.096 -4.206 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.861 -3.678 4.244 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.215 -2.061 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.573 -1.721 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.088 -3.325 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.508 -3.164 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.577 -0.618 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.597 -2.016 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.564 -1.403 3.372 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.392 -3.882 5.356 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.454 -3.069 6.035 1.00 0.00 C ATOM 1217 C TYR A 75 -8.273 -3.926 6.434 1.00 0.00 C ATOM 1218 O TYR A 75 -7.186 -3.433 6.678 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.072 -2.408 7.256 1.00 0.00 C ATOM 1220 CG TYR A 75 -9.376 -1.216 7.605 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -9.225 -0.234 6.689 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -8.861 -1.086 8.844 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -8.562 0.882 6.999 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -8.197 0.019 9.189 1.00 0.00 C ATOM 1225 CZ TYR A 75 -8.030 1.032 8.266 1.00 0.00 C ATOM 1226 OH TYR A 75 -7.338 2.173 8.601 1.00 0.00 O ATOM 0 H TYR A 75 -11.261 -4.042 5.866 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.127 -2.270 5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -11.118 -2.176 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -10.054 -3.102 8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.643 -0.353 5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.987 -1.882 9.563 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -8.442 1.664 6.264 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.792 0.120 10.185 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.785 2.953 8.211 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.518 -5.232 6.444 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.526 -6.219 6.797 1.00 0.00 C ATOM 1238 C ALA A 76 -6.704 -6.550 5.581 1.00 0.00 C ATOM 1239 O ALA A 76 -5.521 -6.862 5.678 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.206 -7.471 7.294 1.00 0.00 C ATOM 0 H ALA A 76 -9.425 -5.631 6.203 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.883 -5.822 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.453 -8.213 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.807 -7.234 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.850 -7.871 6.510 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.352 -6.495 4.428 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.657 -6.713 3.195 1.00 0.00 C ATOM 1248 C GLY A 77 -5.757 -5.544 2.866 1.00 0.00 C ATOM 1249 O GLY A 77 -4.586 -5.708 2.527 1.00 0.00 O ATOM 0 H GLY A 77 -8.349 -6.302 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.064 -7.625 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.376 -6.861 2.389 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.332 -4.354 2.969 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.589 -3.153 2.782 1.00 0.00 C ATOM 1255 C ILE A 78 -4.583 -2.957 3.930 1.00 0.00 C ATOM 1256 O ILE A 78 -3.560 -2.350 3.731 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.523 -1.923 2.672 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -7.490 -2.100 1.499 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -5.724 -0.634 2.511 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -6.808 -2.294 0.162 1.00 0.00 C ATOM 0 H ILE A 78 -7.319 -4.213 3.183 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.041 -3.245 1.844 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.095 -1.848 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.131 -2.959 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.138 -1.226 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.408 0.211 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.073 -0.499 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.119 -0.692 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.561 -2.412 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.189 -1.425 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.182 -3.185 0.199 1.00 0.00 H new ATOM 1272 N ASP A 79 -4.877 -3.464 5.135 1.00 0.00 N ATOM 1273 CA ASP A 79 -3.880 -3.498 6.239 1.00 0.00 C ATOM 1274 C ASP A 79 -2.807 -4.490 5.931 1.00 0.00 C ATOM 1275 O ASP A 79 -1.653 -4.240 6.215 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.533 -3.852 7.576 1.00 0.00 C ATOM 1277 CG ASP A 79 -3.541 -3.891 8.719 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -3.142 -2.809 9.202 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -3.165 -5.000 9.149 1.00 0.00 O ATOM 0 H ASP A 79 -5.787 -3.856 5.379 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.448 -2.501 6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.311 -3.122 7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.022 -4.823 7.491 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.164 -5.603 5.339 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.152 -6.517 4.878 1.00 0.00 C ATOM 1286 C LEU A 80 -1.211 -5.751 3.985 1.00 0.00 C ATOM 1287 O LEU A 80 -0.012 -5.714 4.226 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.760 -7.688 4.112 1.00 0.00 C ATOM 1289 CG LEU A 80 -1.799 -8.845 3.828 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -1.366 -9.515 5.121 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -2.444 -9.852 2.892 1.00 0.00 C ATOM 0 H LEU A 80 -4.127 -5.893 5.168 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.624 -6.933 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.609 -8.071 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.150 -7.319 3.164 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.911 -8.442 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.683 -10.334 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.862 -8.787 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.242 -9.905 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.748 -10.668 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.350 -10.248 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.698 -9.363 1.951 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.773 -5.103 2.978 1.00 0.00 N ATOM 1304 CA ILE A 81 -0.957 -4.306 2.086 1.00 0.00 C ATOM 1305 C ILE A 81 -0.365 -3.042 2.726 1.00 0.00 C ATOM 1306 O ILE A 81 0.731 -2.653 2.363 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.706 -3.919 0.808 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.701 -3.876 -0.351 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.399 -2.567 0.965 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.407 -4.912 -0.272 1.00 0.00 C ATOM 0 H ILE A 81 -2.770 -5.113 2.763 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.123 -4.963 1.838 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.480 -4.659 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.242 -4.013 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.250 -2.884 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.923 -2.317 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.114 -2.618 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.655 -1.800 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.067 -4.805 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.978 -4.765 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.029 -5.911 -0.271 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.054 -2.409 3.663 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.607 -1.130 4.234 1.00 0.00 C ATOM 1324 C ASN A 82 0.450 -1.358 5.293 1.00 0.00 C ATOM 1325 O ASN A 82 1.376 -0.569 5.473 1.00 0.00 O ATOM 1326 CB ASN A 82 -1.786 -0.381 4.861 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.434 1.035 5.276 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -1.468 1.957 4.468 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -1.133 1.221 6.551 1.00 0.00 N ATOM 0 H ASN A 82 -1.931 -2.756 4.052 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.185 -0.534 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.611 -0.351 4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.138 -0.933 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.919 2.158 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.115 0.428 7.192 1.00 0.00 H new ATOM 1336 N ASN A 83 0.292 -2.450 5.991 1.00 0.00 N ATOM 1337 CA ASN A 83 1.191 -2.811 7.050 1.00 0.00 C ATOM 1338 C ASN A 83 2.438 -3.449 6.436 1.00 0.00 C ATOM 1339 O ASN A 83 3.566 -3.206 6.869 1.00 0.00 O ATOM 1340 CB ASN A 83 0.422 -3.733 7.995 1.00 0.00 C ATOM 1341 CG ASN A 83 0.986 -5.142 8.081 1.00 0.00 C ATOM 1342 OD1 ASN A 83 1.879 -5.418 8.883 1.00 0.00 O ATOM 1343 ND2 ASN A 83 0.457 -6.044 7.271 1.00 0.00 N ATOM 0 H ASN A 83 -0.466 -3.115 5.840 1.00 0.00 H new ATOM 0 HA ASN A 83 1.540 -1.956 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.419 -3.293 8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.616 -3.788 7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.787 -7.009 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.281 -5.775 6.621 1.00 0.00 H new ATOM 1350 N LYS A 84 2.204 -4.247 5.395 1.00 0.00 N ATOM 1351 CA LYS A 84 3.297 -4.725 4.562 1.00 0.00 C ATOM 1352 C LYS A 84 3.863 -3.573 3.746 1.00 0.00 C ATOM 1353 O LYS A 84 4.987 -3.634 3.300 1.00 0.00 O ATOM 1354 CB LYS A 84 2.865 -5.860 3.628 1.00 0.00 C ATOM 1355 CG LYS A 84 2.714 -7.205 4.319 1.00 0.00 C ATOM 1356 CD LYS A 84 2.361 -8.302 3.326 1.00 0.00 C ATOM 1357 CE LYS A 84 2.271 -9.658 4.005 1.00 0.00 C ATOM 1358 NZ LYS A 84 1.957 -10.746 3.041 1.00 0.00 N ATOM 0 H LYS A 84 1.278 -4.571 5.114 1.00 0.00 H new ATOM 0 HA LYS A 84 4.063 -5.125 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.916 -5.593 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.597 -5.955 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.643 -7.460 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.938 -7.139 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.410 -8.069 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.113 -8.337 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.215 -9.877 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.503 -9.626 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.905 -11.653 3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.043 -10.552 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.703 -10.795 2.318 1.00 0.00 H new ATOM 1372 N LEU A 85 3.066 -2.534 3.543 1.00 0.00 N ATOM 1373 CA LEU A 85 3.533 -1.317 2.900 1.00 0.00 C ATOM 1374 C LEU A 85 4.617 -0.742 3.752 1.00 0.00 C ATOM 1375 O LEU A 85 5.743 -0.640 3.316 1.00 0.00 O ATOM 1376 CB LEU A 85 2.386 -0.309 2.704 1.00 0.00 C ATOM 1377 CG LEU A 85 2.725 0.994 1.964 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.470 1.574 1.336 1.00 0.00 C ATOM 1379 CD2 LEU A 85 3.341 2.019 2.907 1.00 0.00 C ATOM 0 H LEU A 85 2.084 -2.511 3.818 1.00 0.00 H new ATOM 0 HA LEU A 85 3.916 -1.544 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.584 -0.809 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.992 -0.049 3.686 1.00 0.00 H new ATOM 0 HG LEU A 85 3.452 0.760 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.718 2.498 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.053 0.857 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.737 1.784 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.570 2.930 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.637 2.247 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.258 1.614 3.335 1.00 0.00 H new ATOM 1391 N GLU A 86 4.281 -0.438 4.993 1.00 0.00 N ATOM 1392 CA GLU A 86 5.258 0.043 5.939 1.00 0.00 C ATOM 1393 C GLU A 86 6.484 -0.869 5.923 1.00 0.00 C ATOM 1394 O GLU A 86 7.603 -0.410 5.717 1.00 0.00 O ATOM 1395 CB GLU A 86 4.618 0.083 7.326 1.00 0.00 C ATOM 1396 CG GLU A 86 5.596 0.328 8.460 1.00 0.00 C ATOM 1397 CD GLU A 86 4.927 0.314 9.817 1.00 0.00 C ATOM 1398 OE1 GLU A 86 4.632 1.401 10.355 1.00 0.00 O ATOM 1399 OE2 GLU A 86 4.697 -0.785 10.360 1.00 0.00 O ATOM 0 H GLU A 86 3.335 -0.518 5.365 1.00 0.00 H new ATOM 0 HA GLU A 86 5.585 1.048 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.860 0.866 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.104 -0.862 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.375 -0.434 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.087 1.290 8.311 1.00 0.00 H new ATOM 1406 N ARG A 87 6.233 -2.174 6.080 1.00 0.00 N ATOM 1407 CA ARG A 87 7.312 -3.161 6.146 1.00 0.00 C ATOM 1408 C ARG A 87 8.141 -3.238 4.857 1.00 0.00 C ATOM 1409 O ARG A 87 9.370 -3.298 4.900 1.00 0.00 O ATOM 1410 CB ARG A 87 6.748 -4.516 6.478 1.00 0.00 C ATOM 1411 CG ARG A 87 7.772 -5.640 6.469 1.00 0.00 C ATOM 1412 CD ARG A 87 7.122 -6.978 6.776 1.00 0.00 C ATOM 1413 NE ARG A 87 8.064 -8.088 6.660 1.00 0.00 N ATOM 1414 CZ ARG A 87 7.698 -9.366 6.608 1.00 0.00 C ATOM 1415 NH1 ARG A 87 6.416 -9.697 6.688 1.00 0.00 N ATOM 1416 NH2 ARG A 87 8.614 -10.319 6.481 1.00 0.00 N ATOM 0 H ARG A 87 5.296 -2.568 6.163 1.00 0.00 H new ATOM 0 HA ARG A 87 7.990 -2.833 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.283 -4.472 7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.959 -4.753 5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.259 -5.684 5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.549 -5.433 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.710 -6.957 7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.287 -7.139 6.094 1.00 0.00 H new ATOM 0 HE ARG A 87 9.060 -7.871 6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.707 -8.971 6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.139 -10.678 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.602 -10.072 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.330 -11.298 6.442 1.00 0.00 H new ATOM 1430 N GLN A 88 7.478 -3.179 3.715 1.00 0.00 N ATOM 1431 CA GLN A 88 8.124 -3.472 2.440 1.00 0.00 C ATOM 1432 C GLN A 88 8.727 -2.220 1.902 1.00 0.00 C ATOM 1433 O GLN A 88 9.854 -2.198 1.420 1.00 0.00 O ATOM 1434 CB GLN A 88 7.126 -3.999 1.425 1.00 0.00 C ATOM 1435 CG GLN A 88 7.282 -5.480 1.127 1.00 0.00 C ATOM 1436 CD GLN A 88 6.265 -5.992 0.126 1.00 0.00 C ATOM 1437 OE1 GLN A 88 5.859 -7.153 0.179 1.00 0.00 O ATOM 1438 NE2 GLN A 88 5.862 -5.143 -0.803 1.00 0.00 N ATOM 0 H GLN A 88 6.491 -2.931 3.641 1.00 0.00 H new ATOM 0 HA GLN A 88 8.886 -4.232 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.116 -3.816 1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.234 -3.437 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.286 -5.664 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.186 -6.044 2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.222 -4.189 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.191 -5.442 -1.510 1.00 0.00 H new ATOM 1447 N VAL A 89 7.926 -1.187 1.970 1.00 0.00 N ATOM 1448 CA VAL A 89 8.361 0.147 1.677 1.00 0.00 C ATOM 1449 C VAL A 89 9.646 0.457 2.415 1.00 0.00 C ATOM 1450 O VAL A 89 10.635 0.852 1.803 1.00 0.00 O ATOM 1451 CB VAL A 89 7.270 1.172 2.034 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.852 2.552 2.324 1.00 0.00 C ATOM 1453 CG2 VAL A 89 6.253 1.263 0.908 1.00 0.00 C ATOM 0 H VAL A 89 6.943 -1.254 2.234 1.00 0.00 H new ATOM 0 HA VAL A 89 8.551 0.216 0.606 1.00 0.00 H new ATOM 0 HB VAL A 89 6.780 0.825 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.046 3.242 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.543 2.486 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.384 2.915 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.485 1.991 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.752 1.576 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.792 0.287 0.755 1.00 0.00 H new ATOM 1463 N ARG A 90 9.645 0.229 3.721 1.00 0.00 N ATOM 1464 CA ARG A 90 10.860 0.483 4.504 1.00 0.00 C ATOM 1465 C ARG A 90 11.951 -0.510 4.151 1.00 0.00 C ATOM 1466 O ARG A 90 13.113 -0.136 4.071 1.00 0.00 O ATOM 1467 CB ARG A 90 10.652 0.483 6.020 1.00 0.00 C ATOM 1468 CG ARG A 90 10.285 -0.866 6.619 1.00 0.00 C ATOM 1469 CD ARG A 90 10.166 -0.785 8.131 1.00 0.00 C ATOM 1470 NE ARG A 90 9.246 0.273 8.553 1.00 0.00 N ATOM 1471 CZ ARG A 90 9.029 0.608 9.823 1.00 0.00 C ATOM 1472 NH1 ARG A 90 9.639 -0.047 10.802 1.00 0.00 N ATOM 1473 NH2 ARG A 90 8.198 1.601 10.112 1.00 0.00 N ATOM 0 H ARG A 90 8.848 -0.120 4.253 1.00 0.00 H new ATOM 0 HA ARG A 90 11.159 1.495 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.565 0.839 6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.866 1.198 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.341 -1.209 6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.042 -1.603 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.820 -1.743 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.150 -0.603 8.563 1.00 0.00 H new ATOM 0 HE ARG A 90 8.740 0.785 7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.278 -0.811 10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.469 0.214 11.773 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.727 2.106 9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.030 1.859 11.084 1.00 0.00 H new ATOM 1487 N LYS A 91 11.583 -1.767 3.925 1.00 0.00 N ATOM 1488 CA LYS A 91 12.561 -2.770 3.559 1.00 0.00 C ATOM 1489 C LYS A 91 13.289 -2.343 2.303 1.00 0.00 C ATOM 1490 O LYS A 91 14.511 -2.378 2.237 1.00 0.00 O ATOM 1491 CB LYS A 91 11.908 -4.100 3.365 1.00 0.00 C ATOM 1492 CG LYS A 91 12.812 -5.182 2.796 1.00 0.00 C ATOM 1493 CD LYS A 91 12.057 -6.488 2.608 1.00 0.00 C ATOM 1494 CE LYS A 91 12.936 -7.565 1.990 1.00 0.00 C ATOM 1495 NZ LYS A 91 13.407 -7.194 0.631 1.00 0.00 N ATOM 0 H LYS A 91 10.624 -2.107 3.989 1.00 0.00 H new ATOM 0 HA LYS A 91 13.284 -2.867 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.519 -4.440 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.053 -3.975 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.219 -4.853 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.658 -5.341 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.682 -6.833 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.189 -6.318 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.797 -7.743 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.379 -8.500 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.796 -8.034 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.610 -6.821 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.146 -6.466 0.706 1.00 0.00 H new ATOM 1509 N TYR A 92 12.513 -1.865 1.346 1.00 0.00 N ATOM 1510 CA TYR A 92 13.031 -1.498 0.036 1.00 0.00 C ATOM 1511 C TYR A 92 13.802 -0.177 0.094 1.00 0.00 C ATOM 1512 O TYR A 92 14.971 -0.125 -0.281 1.00 0.00 O ATOM 1513 CB TYR A 92 11.882 -1.398 -0.972 1.00 0.00 C ATOM 1514 CG TYR A 92 12.319 -1.546 -2.414 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.613 -2.797 -2.944 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.435 -0.441 -3.245 1.00 0.00 C ATOM 1517 CE1 TYR A 92 13.011 -2.940 -4.260 1.00 0.00 C ATOM 1518 CE2 TYR A 92 12.832 -0.577 -4.562 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.118 -1.825 -5.064 1.00 0.00 C ATOM 1520 OH TYR A 92 13.515 -1.961 -6.376 1.00 0.00 O ATOM 0 H TYR A 92 11.509 -1.720 1.453 1.00 0.00 H new ATOM 0 HA TYR A 92 13.724 -2.276 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.144 -2.167 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.386 -0.435 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.529 -3.672 -2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.211 0.542 -2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.237 -3.919 -4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.917 0.294 -5.195 1.00 0.00 H new ATOM 0 HH TYR A 92 13.538 -1.080 -6.804 1.00 0.00 H new ATOM 1530 N LYS A 93 13.154 0.883 0.581 1.00 0.00 N ATOM 1531 CA LYS A 93 13.791 2.197 0.613 1.00 0.00 C ATOM 1532 C LYS A 93 15.022 2.167 1.506 1.00 0.00 C ATOM 1533 O LYS A 93 16.054 2.740 1.168 1.00 0.00 O ATOM 1534 CB LYS A 93 12.827 3.297 1.083 1.00 0.00 C ATOM 1535 CG LYS A 93 12.366 3.148 2.524 1.00 0.00 C ATOM 1536 CD LYS A 93 11.713 4.415 3.044 1.00 0.00 C ATOM 1537 CE LYS A 93 11.300 4.264 4.499 1.00 0.00 C ATOM 1538 NZ LYS A 93 10.851 5.551 5.090 1.00 0.00 N ATOM 0 H LYS A 93 12.204 0.858 0.952 1.00 0.00 H new ATOM 0 HA LYS A 93 14.089 2.435 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.314 4.265 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.953 3.301 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.660 2.320 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.219 2.895 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.405 5.251 2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.839 4.652 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.496 3.532 4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.140 3.875 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.579 5.401 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.626 6.243 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.033 5.911 4.558 1.00 0.00 H new ATOM 1552 N THR A 94 14.923 1.475 2.633 1.00 0.00 N ATOM 1553 CA THR A 94 16.040 1.362 3.545 1.00 0.00 C ATOM 1554 C THR A 94 17.096 0.412 2.975 1.00 0.00 C ATOM 1555 O THR A 94 18.284 0.601 3.208 1.00 0.00 O ATOM 1556 CB THR A 94 15.572 0.936 4.961 1.00 0.00 C ATOM 1557 OG1 THR A 94 14.818 2.006 5.546 1.00 0.00 O ATOM 1558 CG2 THR A 94 16.746 0.587 5.868 1.00 0.00 C ATOM 0 H THR A 94 14.079 0.986 2.932 1.00 0.00 H new ATOM 0 HA THR A 94 16.501 2.344 3.653 1.00 0.00 H new ATOM 0 HB THR A 94 14.956 0.043 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.517 1.743 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.373 0.294 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.309 -0.239 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.397 1.455 5.971 1.00 0.00 H new ATOM 1566 N ARG A 95 16.668 -0.582 2.194 1.00 0.00 N ATOM 1567 CA ARG A 95 17.609 -1.433 1.464 1.00 0.00 C ATOM 1568 C ARG A 95 18.444 -0.575 0.518 1.00 0.00 C ATOM 1569 O ARG A 95 19.676 -0.667 0.496 1.00 0.00 O ATOM 1570 CB ARG A 95 16.858 -2.500 0.660 1.00 0.00 C ATOM 1571 CG ARG A 95 17.601 -3.816 0.491 1.00 0.00 C ATOM 1572 CD ARG A 95 18.820 -3.692 -0.406 1.00 0.00 C ATOM 1573 NE ARG A 95 19.459 -4.987 -0.619 1.00 0.00 N ATOM 1574 CZ ARG A 95 20.508 -5.186 -1.414 1.00 0.00 C ATOM 1575 NH1 ARG A 95 21.074 -4.170 -2.050 1.00 0.00 N ATOM 1576 NH2 ARG A 95 20.996 -6.408 -1.568 1.00 0.00 N ATOM 0 H ARG A 95 15.685 -0.816 2.052 1.00 0.00 H new ATOM 0 HA ARG A 95 18.260 -1.931 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.904 -2.698 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.632 -2.098 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 95 17.911 -4.181 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 95 16.923 -4.560 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 95 18.526 -3.268 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 95 19.534 -3.001 0.042 1.00 0.00 H new ATOM 0 HE ARG A 95 19.076 -5.793 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 95 20.706 -3.226 -1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 95 21.877 -4.332 -2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.568 -7.194 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 95 21.800 -6.563 -2.177 1.00 0.00 H new ATOM 1590 N ILE A 96 17.762 0.261 -0.261 1.00 0.00 N ATOM 1591 CA ILE A 96 18.435 1.156 -1.198 1.00 0.00 C ATOM 1592 C ILE A 96 19.289 2.186 -0.456 1.00 0.00 C ATOM 1593 O ILE A 96 20.490 2.294 -0.702 1.00 0.00 O ATOM 1594 CB ILE A 96 17.424 1.870 -2.145 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.078 0.981 -3.350 1.00 0.00 C ATOM 1596 CG2 ILE A 96 17.968 3.209 -2.632 1.00 0.00 C ATOM 1597 CD1 ILE A 96 16.408 -0.328 -2.996 1.00 0.00 C ATOM 0 H ILE A 96 16.745 0.337 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 96 19.090 0.540 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 96 16.517 2.054 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.424 1.539 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.993 0.768 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 96 17.238 3.681 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 96 18.158 3.858 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 96 18.898 3.047 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 96 16.201 -0.889 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.066 -0.911 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.473 -0.128 -2.473 1.00 0.00 H new ATOM 1609 N ASN A 97 18.679 2.908 0.479 1.00 0.00 N ATOM 1610 CA ASN A 97 19.360 3.986 1.198 1.00 0.00 C ATOM 1611 C ASN A 97 20.533 3.468 2.020 1.00 0.00 C ATOM 1612 O ASN A 97 21.488 4.193 2.259 1.00 0.00 O ATOM 1613 CB ASN A 97 18.385 4.738 2.109 1.00 0.00 C ATOM 1614 CG ASN A 97 17.360 5.557 1.339 1.00 0.00 C ATOM 1615 OD1 ASN A 97 16.219 5.708 1.777 1.00 0.00 O ATOM 1616 ND2 ASN A 97 17.758 6.104 0.200 1.00 0.00 N ATOM 0 H ASN A 97 17.709 2.767 0.760 1.00 0.00 H new ATOM 0 HA ASN A 97 19.748 4.672 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.865 4.021 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.949 5.399 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.111 6.673 -0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.712 5.956 -0.131 1.00 0.00 H new ATOM 1623 N ARG A 98 20.461 2.215 2.444 1.00 0.00 N ATOM 1624 CA ARG A 98 21.529 1.611 3.235 1.00 0.00 C ATOM 1625 C ARG A 98 22.840 1.596 2.452 1.00 0.00 C ATOM 1626 O ARG A 98 23.911 1.843 3.006 1.00 0.00 O ATOM 1627 CB ARG A 98 21.139 0.191 3.638 1.00 0.00 C ATOM 1628 CG ARG A 98 22.030 -0.431 4.695 1.00 0.00 C ATOM 1629 CD ARG A 98 21.488 -1.783 5.119 1.00 0.00 C ATOM 1630 NE ARG A 98 22.300 -2.411 6.153 1.00 0.00 N ATOM 1631 CZ ARG A 98 22.081 -3.636 6.623 1.00 0.00 C ATOM 1632 NH1 ARG A 98 21.087 -4.373 6.135 1.00 0.00 N ATOM 1633 NH2 ARG A 98 22.864 -4.128 7.571 1.00 0.00 N ATOM 0 H ARG A 98 19.674 1.594 2.255 1.00 0.00 H new ATOM 0 HA ARG A 98 21.675 2.209 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.113 0.200 4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.154 -0.442 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 98 23.042 -0.544 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 98 22.094 0.229 5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.468 -1.663 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.440 -2.440 4.251 1.00 0.00 H new ATOM 0 HE ARG A 98 23.081 -1.881 6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.489 -3.999 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.922 -5.312 6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 98 23.633 -3.568 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.698 -5.067 7.933 1.00 0.00 H new ATOM 1647 N LYS A 99 22.751 1.304 1.161 1.00 0.00 N ATOM 1648 CA LYS A 99 23.927 1.289 0.301 1.00 0.00 C ATOM 1649 C LYS A 99 24.147 2.650 -0.344 1.00 0.00 C ATOM 1650 O LYS A 99 25.271 3.142 -0.418 1.00 0.00 O ATOM 1651 CB LYS A 99 23.790 0.220 -0.784 1.00 0.00 C ATOM 1652 CG LYS A 99 23.716 -1.202 -0.245 1.00 0.00 C ATOM 1653 CD LYS A 99 24.979 -1.591 0.515 1.00 0.00 C ATOM 1654 CE LYS A 99 26.209 -1.594 -0.381 1.00 0.00 C ATOM 1655 NZ LYS A 99 26.079 -2.550 -1.512 1.00 0.00 N ATOM 0 H LYS A 99 21.878 1.075 0.687 1.00 0.00 H new ATOM 0 HA LYS A 99 24.790 1.053 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 99 22.893 0.423 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 99 24.638 0.296 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 99 22.853 -1.295 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.562 -1.896 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 99 25.134 -0.895 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 99 24.848 -2.581 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 99 26.373 -0.590 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 99 27.087 -1.852 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 27.003 -2.670 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 25.749 -3.469 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 25.393 -2.181 -2.201 1.00 0.00 H new ATOM 1669 N SER A 100 23.061 3.263 -0.794 1.00 0.00 N ATOM 1670 CA SER A 100 23.135 4.516 -1.528 1.00 0.00 C ATOM 1671 C SER A 100 23.146 5.725 -0.590 1.00 0.00 C ATOM 1672 O SER A 100 22.839 6.843 -1.004 1.00 0.00 O ATOM 1673 CB SER A 100 21.958 4.609 -2.502 1.00 0.00 C ATOM 1674 OG SER A 100 21.924 3.481 -3.364 1.00 0.00 O ATOM 0 H SER A 100 22.113 2.909 -0.662 1.00 0.00 H new ATOM 0 HA SER A 100 24.073 4.529 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.024 4.674 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.041 5.521 -3.093 1.00 0.00 H new ATOM 0 HG SER A 100 21.163 3.560 -3.977 1.00 0.00 H new ATOM 1680 N ARG A 101 23.501 5.499 0.668 1.00 0.00 N ATOM 1681 CA ARG A 101 23.621 6.584 1.636 1.00 0.00 C ATOM 1682 C ARG A 101 24.900 7.371 1.374 1.00 0.00 C ATOM 1683 O ARG A 101 24.920 8.598 1.474 1.00 0.00 O ATOM 1684 CB ARG A 101 23.627 6.040 3.069 1.00 0.00 C ATOM 1685 CG ARG A 101 24.768 5.077 3.341 1.00 0.00 C ATOM 1686 CD ARG A 101 24.777 4.577 4.772 1.00 0.00 C ATOM 1687 NE ARG A 101 26.046 3.927 5.083 1.00 0.00 N ATOM 1688 CZ ARG A 101 26.169 2.782 5.749 1.00 0.00 C ATOM 1689 NH1 ARG A 101 25.095 2.146 6.203 1.00 0.00 N ATOM 1690 NH2 ARG A 101 27.375 2.268 5.956 1.00 0.00 N ATOM 0 H ARG A 101 23.711 4.574 1.043 1.00 0.00 H new ATOM 0 HA ARG A 101 22.760 7.243 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 101 23.691 6.875 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 101 22.681 5.535 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 101 24.691 4.227 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 101 25.715 5.571 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 101 24.613 5.411 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 101 23.957 3.875 4.922 1.00 0.00 H new ATOM 0 HE ARG A 101 26.901 4.384 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 101 24.166 2.535 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 101 25.199 1.269 6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 101 28.202 2.751 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 101 27.475 1.390 6.466 1.00 0.00 H new ATOM 1704 N ASP A 102 25.953 6.646 1.022 1.00 0.00 N ATOM 1705 CA ASP A 102 27.254 7.229 0.739 1.00 0.00 C ATOM 1706 C ASP A 102 28.102 6.219 -0.020 1.00 0.00 C ATOM 1707 O ASP A 102 28.012 5.014 0.226 1.00 0.00 O ATOM 1708 CB ASP A 102 27.966 7.665 2.032 1.00 0.00 C ATOM 1709 CG ASP A 102 28.261 6.516 2.981 1.00 0.00 C ATOM 1710 OD1 ASP A 102 29.256 5.795 2.765 1.00 0.00 O ATOM 1711 OD2 ASP A 102 27.518 6.342 3.970 1.00 0.00 O ATOM 0 H ASP A 102 25.927 5.631 0.925 1.00 0.00 H new ATOM 0 HA ASP A 102 27.112 8.120 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 102 28.902 8.160 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 102 27.348 8.401 2.547 1.00 0.00 H new ATOM 1716 N ARG A 103 28.896 6.701 -0.962 1.00 0.00 N ATOM 1717 CA ARG A 103 29.712 5.824 -1.794 1.00 0.00 C ATOM 1718 C ARG A 103 31.194 6.167 -1.653 1.00 0.00 C ATOM 1719 O ARG A 103 32.066 5.385 -2.033 1.00 0.00 O ATOM 1720 CB ARG A 103 29.272 5.944 -3.255 1.00 0.00 C ATOM 1721 CG ARG A 103 29.944 4.956 -4.194 1.00 0.00 C ATOM 1722 CD ARG A 103 29.497 5.171 -5.630 1.00 0.00 C ATOM 1723 NE ARG A 103 30.152 4.248 -6.555 1.00 0.00 N ATOM 1724 CZ ARG A 103 29.859 4.160 -7.852 1.00 0.00 C ATOM 1725 NH1 ARG A 103 28.919 4.937 -8.380 1.00 0.00 N ATOM 1726 NH2 ARG A 103 30.515 3.302 -8.622 1.00 0.00 N ATOM 0 H ARG A 103 28.995 7.694 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 103 29.572 4.795 -1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 103 28.193 5.803 -3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 103 29.479 6.956 -3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.026 5.065 -4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 103 29.707 3.938 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 103 28.417 5.043 -5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 103 29.715 6.197 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 103 30.878 3.634 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 103 28.419 5.604 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 103 28.698 4.867 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 103 31.243 2.710 -8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 103 30.292 3.234 -9.615 1.00 0.00 H new ATOM 1740 N GLY A 104 31.470 7.340 -1.103 1.00 0.00 N ATOM 1741 CA GLY A 104 32.838 7.792 -0.978 1.00 0.00 C ATOM 1742 C GLY A 104 33.520 7.259 0.263 1.00 0.00 C ATOM 1743 O GLY A 104 32.885 6.635 1.110 1.00 0.00 O ATOM 0 H GLY A 104 30.769 7.987 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 104 33.401 7.481 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 104 32.855 8.882 -0.957 1.00 0.00 H new ATOM 1747 N ASP A 105 34.815 7.515 0.370 1.00 0.00 N ATOM 1748 CA ASP A 105 35.612 7.068 1.511 1.00 0.00 C ATOM 1749 C ASP A 105 35.507 8.064 2.656 1.00 0.00 C ATOM 1750 O ASP A 105 36.164 7.914 3.689 1.00 0.00 O ATOM 1751 CB ASP A 105 37.080 6.894 1.117 1.00 0.00 C ATOM 1752 CG ASP A 105 37.289 5.807 0.085 1.00 0.00 C ATOM 1753 OD1 ASP A 105 37.350 4.621 0.471 1.00 0.00 O ATOM 1754 OD2 ASP A 105 37.403 6.133 -1.119 1.00 0.00 O ATOM 0 H ASP A 105 35.345 8.037 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 105 35.219 6.105 1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 105 37.460 7.838 0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 105 37.664 6.660 2.007 1.00 0.00 H new ATOM 1759 N GLN A 106 34.693 9.093 2.432 1.00 0.00 N ATOM 1760 CA GLN A 106 34.488 10.191 3.376 1.00 0.00 C ATOM 1761 C GLN A 106 34.373 9.693 4.817 1.00 0.00 C ATOM 1762 O GLN A 106 35.195 10.053 5.662 1.00 0.00 O ATOM 1763 CB GLN A 106 33.219 10.958 2.991 1.00 0.00 C ATOM 1764 CG GLN A 106 33.168 11.344 1.519 1.00 0.00 C ATOM 1765 CD GLN A 106 31.835 11.942 1.105 1.00 0.00 C ATOM 1766 OE1 GLN A 106 31.389 11.761 -0.028 1.00 0.00 O ATOM 1767 NE2 GLN A 106 31.199 12.671 2.008 1.00 0.00 N ATOM 0 H GLN A 106 34.148 9.190 1.575 1.00 0.00 H new ATOM 0 HA GLN A 106 35.357 10.847 3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 106 32.348 10.347 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 106 33.151 11.861 3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 106 33.962 12.061 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 106 33.368 10.462 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 106 31.601 12.798 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 106 30.306 13.106 1.775 1.00 0.00 H new ATOM 1776 N GLU A 107 33.364 8.863 5.082 1.00 0.00 N ATOM 1777 CA GLU A 107 33.120 8.325 6.424 1.00 0.00 C ATOM 1778 C GLU A 107 33.104 9.441 7.468 1.00 0.00 C ATOM 1779 O GLU A 107 33.762 9.356 8.506 1.00 0.00 O ATOM 1780 CB GLU A 107 34.170 7.268 6.787 1.00 0.00 C ATOM 1781 CG GLU A 107 34.082 6.004 5.945 1.00 0.00 C ATOM 1782 CD GLU A 107 32.757 5.284 6.108 1.00 0.00 C ATOM 1783 OE1 GLU A 107 31.830 5.548 5.316 1.00 0.00 O ATOM 1784 OE2 GLU A 107 32.637 4.443 7.028 1.00 0.00 O ATOM 0 H GLU A 107 32.696 8.545 4.379 1.00 0.00 H new ATOM 0 HA GLU A 107 32.139 7.849 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 107 35.164 7.702 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 107 34.057 7.002 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 107 34.225 6.261 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 107 34.893 5.331 6.222 1.00 0.00 H new ATOM 1791 N VAL A 108 32.355 10.494 7.172 1.00 0.00 N ATOM 1792 CA VAL A 108 32.270 11.651 8.053 1.00 0.00 C ATOM 1793 C VAL A 108 30.881 11.759 8.663 1.00 0.00 C ATOM 1794 O VAL A 108 30.438 12.838 9.058 1.00 0.00 O ATOM 1795 CB VAL A 108 32.603 12.959 7.302 1.00 0.00 C ATOM 1796 CG1 VAL A 108 34.063 12.981 6.882 1.00 0.00 C ATOM 1797 CG2 VAL A 108 31.699 13.129 6.087 1.00 0.00 C ATOM 0 H VAL A 108 31.794 10.571 6.323 1.00 0.00 H new ATOM 0 HA VAL A 108 33.005 11.509 8.846 1.00 0.00 H new ATOM 0 HB VAL A 108 32.427 13.793 7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 108 34.276 13.911 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 108 34.697 12.912 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 108 34.265 12.136 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 108 31.951 14.057 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 108 31.840 12.288 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 108 30.658 13.164 6.410 1.00 0.00 H new ATOM 1807 N PHE A 109 30.198 10.629 8.735 1.00 0.00 N ATOM 1808 CA PHE A 109 28.840 10.589 9.253 1.00 0.00 C ATOM 1809 C PHE A 109 28.794 9.747 10.521 1.00 0.00 C ATOM 1810 O PHE A 109 27.742 9.239 10.918 1.00 0.00 O ATOM 1811 CB PHE A 109 27.892 10.018 8.196 1.00 0.00 C ATOM 1812 CG PHE A 109 28.086 10.627 6.834 1.00 0.00 C ATOM 1813 CD1 PHE A 109 27.695 11.930 6.580 1.00 0.00 C ATOM 1814 CD2 PHE A 109 28.666 9.893 5.809 1.00 0.00 C ATOM 1815 CE1 PHE A 109 27.877 12.492 5.331 1.00 0.00 C ATOM 1816 CE2 PHE A 109 28.850 10.449 4.559 1.00 0.00 C ATOM 1817 CZ PHE A 109 28.456 11.750 4.318 1.00 0.00 C ATOM 0 H PHE A 109 30.563 9.723 8.440 1.00 0.00 H new ATOM 0 HA PHE A 109 28.519 11.602 9.495 1.00 0.00 H new ATOM 0 HB2 PHE A 109 28.040 8.940 8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 109 26.862 10.179 8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 109 27.242 12.514 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 109 28.977 8.875 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 109 27.567 13.510 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 109 29.302 9.866 3.770 1.00 0.00 H new ATOM 0 HZ PHE A 109 28.600 12.187 3.341 1.00 0.00 H new ATOM 1827 N VAL A 110 29.953 9.598 11.145 1.00 0.00 N ATOM 1828 CA VAL A 110 30.070 8.843 12.378 1.00 0.00 C ATOM 1829 C VAL A 110 30.160 9.798 13.573 1.00 0.00 C ATOM 1830 O VAL A 110 31.272 10.252 13.920 1.00 0.00 O ATOM 1831 CB VAL A 110 31.282 7.869 12.334 1.00 0.00 C ATOM 1832 CG1 VAL A 110 32.561 8.580 11.910 1.00 0.00 C ATOM 1833 CG2 VAL A 110 31.470 7.168 13.673 1.00 0.00 C ATOM 1834 OXT VAL A 110 29.100 10.129 14.136 1.00 0.00 O ATOM 0 H VAL A 110 30.832 9.995 10.812 1.00 0.00 H new ATOM 0 HA VAL A 110 29.175 8.231 12.494 1.00 0.00 H new ATOM 0 HB VAL A 110 31.062 7.112 11.581 1.00 0.00 H new ATOM 0 HG11 VAL A 110 33.385 7.867 11.891 1.00 0.00 H new ATOM 0 HG12 VAL A 110 32.428 9.007 10.916 1.00 0.00 H new ATOM 0 HG13 VAL A 110 32.787 9.376 12.619 1.00 0.00 H new ATOM 0 HG21 VAL A 110 32.324 6.493 13.614 1.00 0.00 H new ATOM 0 HG22 VAL A 110 31.648 7.911 14.451 1.00 0.00 H new ATOM 0 HG23 VAL A 110 30.573 6.598 13.914 1.00 0.00 H new TER 1844 VAL A 110