USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 803 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 79 THR OG1 : rot 114:sc= -1.45 USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -0.4 F(o=-5.7!,f=-1.8) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.167 K(o=0.98,f=-5.3!) USER MOD Set 2.2: A 20 THR OG1 : rot 108:sc= 0.813 USER MOD Single : A 1 LEU N :NH3+ -122:sc= -6.5! (180deg=-7.82!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.799 X(o=-0.8,f=-0.95) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-12!) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.62 F(o=-4.2!,f=-1.6) USER MOD Single : A 29 SER OG : rot 70:sc= 0.863 USER MOD Single : A 36 GLN :FLIP amide:sc= -4.65! C(o=-6.9!,f=-4.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.0538 (180deg=-0.643) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -1.05 (180deg=-1.68) USER MOD Single : A 54 ASN : amide:sc= -3.14! C(o=-3.1!,f=-9.9!) USER MOD Single : A 59 MET CE :methyl -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 62 MET CE :methyl -150:sc= -0.358 (180deg=-1.4) USER MOD Single : A 69 MET CE :methyl -156:sc= -0.147 (180deg=-1.09) USER MOD Single : A 72 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -4.03! C(o=-14!,f=-4!) USER MOD Single : A 81 GLN :FLIP amide:sc= -3.75! C(o=-5.3!,f=-3.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -54:sc= 0.391 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.965 19.864 -34.102 1.00 0.00 N ATOM 2 CA LEU A 1 8.405 19.085 -32.910 1.00 0.00 C ATOM 3 C LEU A 1 7.351 19.209 -31.807 1.00 0.00 C ATOM 4 O LEU A 1 7.539 18.744 -30.700 1.00 0.00 O ATOM 5 CB LEU A 1 9.745 19.636 -32.406 1.00 0.00 C ATOM 6 CG LEU A 1 10.885 19.126 -33.294 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.611 19.500 -34.755 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.202 19.760 -32.842 1.00 0.00 C ATOM 0 H1 LEU A 1 7.906 19.233 -34.927 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.030 20.281 -33.918 1.00 0.00 H new ATOM 0 H3 LEU A 1 8.651 20.622 -34.294 1.00 0.00 H new ATOM 0 HA LEU A 1 8.525 18.036 -33.182 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.726 20.726 -32.413 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.910 19.327 -31.374 1.00 0.00 H new ATOM 0 HG LEU A 1 10.953 18.041 -33.208 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.424 19.135 -35.383 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.673 19.047 -35.077 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.540 20.584 -34.846 1.00 0.00 H new ATOM 0 HD21 LEU A 1 13.015 19.399 -33.472 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.132 20.844 -32.927 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.399 19.489 -31.805 1.00 0.00 H new ATOM 20 N LYS A 2 6.242 19.830 -32.102 1.00 0.00 N ATOM 21 CA LYS A 2 5.176 19.981 -31.071 1.00 0.00 C ATOM 22 C LYS A 2 5.784 20.566 -29.792 1.00 0.00 C ATOM 23 O LYS A 2 6.443 21.588 -29.820 1.00 0.00 O ATOM 24 CB LYS A 2 4.558 18.608 -30.777 1.00 0.00 C ATOM 25 CG LYS A 2 3.194 18.783 -30.106 1.00 0.00 C ATOM 26 CD LYS A 2 2.671 17.420 -29.648 1.00 0.00 C ATOM 27 CE LYS A 2 1.232 17.565 -29.148 1.00 0.00 C ATOM 28 NZ LYS A 2 0.701 16.225 -28.770 1.00 0.00 N ATOM 0 H LYS A 2 6.028 20.239 -33.011 1.00 0.00 H new ATOM 0 HA LYS A 2 4.400 20.653 -31.437 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.448 18.044 -31.703 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.220 18.033 -30.130 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.280 19.456 -29.253 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.490 19.239 -30.802 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.710 16.708 -30.473 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.304 17.024 -28.854 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.200 18.236 -28.290 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.609 18.009 -29.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.277 16.322 -28.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.718 15.598 -29.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.291 15.818 -28.016 1.00 0.00 H new ATOM 42 N GLU A 3 5.571 19.931 -28.673 1.00 0.00 N ATOM 43 CA GLU A 3 6.138 20.456 -27.398 1.00 0.00 C ATOM 44 C GLU A 3 7.662 20.316 -27.421 1.00 0.00 C ATOM 45 O GLU A 3 8.194 19.225 -27.478 1.00 0.00 O ATOM 46 CB GLU A 3 5.570 19.662 -26.221 1.00 0.00 C ATOM 47 CG GLU A 3 4.087 19.996 -26.047 1.00 0.00 C ATOM 48 CD GLU A 3 3.541 19.271 -24.816 1.00 0.00 C ATOM 49 OE1 GLU A 3 4.133 19.411 -23.758 1.00 0.00 O ATOM 50 OE2 GLU A 3 2.539 18.588 -24.951 1.00 0.00 O ATOM 0 H GLU A 3 5.029 19.071 -28.586 1.00 0.00 H new ATOM 0 HA GLU A 3 5.872 21.507 -27.288 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.695 18.593 -26.396 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.117 19.902 -25.309 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.957 21.072 -25.936 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.530 19.697 -26.935 1.00 0.00 H new ATOM 57 N VAL A 4 8.369 21.412 -27.378 1.00 0.00 N ATOM 58 CA VAL A 4 9.858 21.340 -27.398 1.00 0.00 C ATOM 59 C VAL A 4 10.366 20.891 -26.026 1.00 0.00 C ATOM 60 O VAL A 4 11.533 20.605 -25.849 1.00 0.00 O ATOM 61 CB VAL A 4 10.429 22.721 -27.727 1.00 0.00 C ATOM 62 CG1 VAL A 4 11.945 22.621 -27.910 1.00 0.00 C ATOM 63 CG2 VAL A 4 9.794 23.240 -29.019 1.00 0.00 C ATOM 0 H VAL A 4 7.980 22.354 -27.330 1.00 0.00 H new ATOM 0 HA VAL A 4 10.178 20.624 -28.155 1.00 0.00 H new ATOM 0 HB VAL A 4 10.208 23.407 -26.910 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.349 23.606 -28.144 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.399 22.252 -26.990 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.168 21.934 -28.726 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.200 24.224 -29.254 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.015 22.552 -29.835 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.714 23.315 -28.889 1.00 0.00 H new ATOM 73 N TRP A 5 9.495 20.824 -25.051 1.00 0.00 N ATOM 74 CA TRP A 5 9.923 20.391 -23.685 1.00 0.00 C ATOM 75 C TRP A 5 8.805 19.570 -23.041 1.00 0.00 C ATOM 76 O TRP A 5 7.646 19.933 -23.090 1.00 0.00 O ATOM 77 CB TRP A 5 10.209 21.623 -22.829 1.00 0.00 C ATOM 78 CG TRP A 5 10.631 21.192 -21.460 1.00 0.00 C ATOM 79 CD1 TRP A 5 11.894 20.866 -21.104 1.00 0.00 C ATOM 80 CD2 TRP A 5 9.814 21.032 -20.264 1.00 0.00 C ATOM 81 NE1 TRP A 5 11.905 20.517 -19.766 1.00 0.00 N ATOM 82 CE2 TRP A 5 10.646 20.604 -19.203 1.00 0.00 C ATOM 83 CE3 TRP A 5 8.444 21.217 -20.000 1.00 0.00 C ATOM 84 CZ2 TRP A 5 10.136 20.367 -17.923 1.00 0.00 C ATOM 85 CZ3 TRP A 5 7.929 20.979 -18.715 1.00 0.00 C ATOM 86 CH2 TRP A 5 8.774 20.555 -17.679 1.00 0.00 C ATOM 0 H TRP A 5 8.505 21.051 -25.142 1.00 0.00 H new ATOM 0 HA TRP A 5 10.825 19.783 -23.759 1.00 0.00 H new ATOM 0 HB2 TRP A 5 10.992 22.225 -23.290 1.00 0.00 H new ATOM 0 HB3 TRP A 5 9.320 22.250 -22.766 1.00 0.00 H new ATOM 0 HD1 TRP A 5 12.754 20.876 -21.758 1.00 0.00 H new ATOM 0 HE1 TRP A 5 12.741 20.230 -19.257 1.00 0.00 H new ATOM 0 HE3 TRP A 5 7.785 21.544 -20.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 10.791 20.041 -17.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 6.876 21.123 -18.524 1.00 0.00 H new ATOM 0 HH2 TRP A 5 8.372 20.374 -16.693 1.00 0.00 H new ATOM 97 N GLU A 6 9.142 18.463 -22.438 1.00 0.00 N ATOM 98 CA GLU A 6 8.099 17.617 -21.793 1.00 0.00 C ATOM 99 C GLU A 6 8.774 16.561 -20.915 1.00 0.00 C ATOM 100 O GLU A 6 9.428 15.661 -21.404 1.00 0.00 O ATOM 101 CB GLU A 6 7.266 16.927 -22.875 1.00 0.00 C ATOM 102 CG GLU A 6 6.104 16.172 -22.225 1.00 0.00 C ATOM 103 CD GLU A 6 5.205 15.583 -23.314 1.00 0.00 C ATOM 104 OE1 GLU A 6 4.516 16.350 -23.964 1.00 0.00 O ATOM 105 OE2 GLU A 6 5.224 14.374 -23.479 1.00 0.00 O ATOM 0 H GLU A 6 10.095 18.108 -22.364 1.00 0.00 H new ATOM 0 HA GLU A 6 7.450 18.240 -21.177 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.884 17.665 -23.580 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.889 16.236 -23.443 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.486 15.377 -21.585 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.529 16.845 -21.589 1.00 0.00 H new ATOM 112 N GLU A 7 8.622 16.662 -19.622 1.00 0.00 N ATOM 113 CA GLU A 7 9.259 15.661 -18.720 1.00 0.00 C ATOM 114 C GLU A 7 8.692 15.803 -17.306 1.00 0.00 C ATOM 115 O GLU A 7 8.519 16.896 -16.804 1.00 0.00 O ATOM 116 CB GLU A 7 10.771 15.896 -18.688 1.00 0.00 C ATOM 117 CG GLU A 7 11.457 14.714 -18.000 1.00 0.00 C ATOM 118 CD GLU A 7 11.400 13.488 -18.913 1.00 0.00 C ATOM 119 OE1 GLU A 7 11.752 13.622 -20.073 1.00 0.00 O ATOM 120 OE2 GLU A 7 11.005 12.436 -18.437 1.00 0.00 O ATOM 0 H GLU A 7 8.086 17.392 -19.153 1.00 0.00 H new ATOM 0 HA GLU A 7 9.051 14.658 -19.092 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.153 16.012 -19.702 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.995 16.820 -18.155 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.493 14.963 -17.773 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.966 14.497 -17.051 1.00 0.00 H new ATOM 127 N LEU A 8 8.406 14.699 -16.661 1.00 0.00 N ATOM 128 CA LEU A 8 7.848 14.748 -15.266 1.00 0.00 C ATOM 129 C LEU A 8 8.945 14.358 -14.271 1.00 0.00 C ATOM 130 O LEU A 8 8.976 14.830 -13.153 1.00 0.00 O ATOM 131 CB LEU A 8 6.671 13.761 -15.135 1.00 0.00 C ATOM 132 CG LEU A 8 5.898 14.028 -13.819 1.00 0.00 C ATOM 133 CD1 LEU A 8 4.840 15.126 -14.031 1.00 0.00 C ATOM 134 CD2 LEU A 8 5.183 12.744 -13.359 1.00 0.00 C ATOM 0 H LEU A 8 8.534 13.760 -17.039 1.00 0.00 H new ATOM 0 HA LEU A 8 7.495 15.758 -15.056 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.001 13.867 -15.988 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.042 12.736 -15.147 1.00 0.00 H new ATOM 0 HG LEU A 8 6.615 14.350 -13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.306 15.302 -13.097 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.330 16.047 -14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.134 14.808 -14.798 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.642 12.940 -12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.481 12.423 -14.128 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.919 11.958 -13.189 1.00 0.00 H new ATOM 146 N ASP A 9 9.844 13.501 -14.668 1.00 0.00 N ATOM 147 CA ASP A 9 10.935 13.084 -13.743 1.00 0.00 C ATOM 148 C ASP A 9 11.883 14.265 -13.503 1.00 0.00 C ATOM 149 O ASP A 9 12.970 14.315 -14.045 1.00 0.00 O ATOM 150 CB ASP A 9 11.715 11.925 -14.367 1.00 0.00 C ATOM 151 CG ASP A 9 10.786 10.722 -14.544 1.00 0.00 C ATOM 152 OD1 ASP A 9 10.385 10.156 -13.541 1.00 0.00 O ATOM 153 OD2 ASP A 9 10.492 10.389 -15.680 1.00 0.00 O ATOM 0 H ASP A 9 9.871 13.071 -15.593 1.00 0.00 H new ATOM 0 HA ASP A 9 10.504 12.766 -12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.125 12.226 -15.331 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.559 11.656 -13.731 1.00 0.00 H new ATOM 158 N GLY A 10 11.484 15.217 -12.698 1.00 0.00 N ATOM 159 CA GLY A 10 12.368 16.392 -12.429 1.00 0.00 C ATOM 160 C GLY A 10 12.108 16.916 -11.016 1.00 0.00 C ATOM 161 O GLY A 10 11.750 18.061 -10.824 1.00 0.00 O ATOM 0 H GLY A 10 10.585 15.232 -12.216 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.414 16.105 -12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.178 17.178 -13.160 1.00 0.00 H new ATOM 165 N LEU A 11 12.289 16.086 -10.023 1.00 0.00 N ATOM 166 CA LEU A 11 12.058 16.535 -8.618 1.00 0.00 C ATOM 167 C LEU A 11 10.735 17.302 -8.529 1.00 0.00 C ATOM 168 O LEU A 11 10.686 18.415 -8.047 1.00 0.00 O ATOM 169 CB LEU A 11 13.202 17.455 -8.179 1.00 0.00 C ATOM 170 CG LEU A 11 14.552 16.758 -8.391 1.00 0.00 C ATOM 171 CD1 LEU A 11 15.677 17.783 -8.217 1.00 0.00 C ATOM 172 CD2 LEU A 11 14.733 15.631 -7.362 1.00 0.00 C ATOM 0 H LEU A 11 12.587 15.116 -10.124 1.00 0.00 H new ATOM 0 HA LEU A 11 12.017 15.662 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.170 18.384 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.082 17.721 -7.129 1.00 0.00 H new ATOM 0 HG LEU A 11 14.582 16.333 -9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.640 17.295 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.558 18.582 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.635 18.203 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.695 15.143 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.701 16.049 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.932 14.901 -7.478 1.00 0.00 H new ATOM 184 N ASP A 12 9.663 16.717 -8.989 1.00 0.00 N ATOM 185 CA ASP A 12 8.351 17.419 -8.924 1.00 0.00 C ATOM 186 C ASP A 12 8.001 17.677 -7.444 1.00 0.00 C ATOM 187 O ASP A 12 8.431 16.929 -6.590 1.00 0.00 O ATOM 188 CB ASP A 12 7.275 16.525 -9.565 1.00 0.00 C ATOM 189 CG ASP A 12 7.554 15.064 -9.207 1.00 0.00 C ATOM 190 OD1 ASP A 12 8.447 14.489 -9.805 1.00 0.00 O ATOM 191 OD2 ASP A 12 6.868 14.546 -8.341 1.00 0.00 O ATOM 0 H ASP A 12 9.639 15.786 -9.406 1.00 0.00 H new ATOM 0 HA ASP A 12 8.400 18.367 -9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.286 16.816 -9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.277 16.653 -10.647 1.00 0.00 H new ATOM 196 N PRO A 13 7.228 18.711 -7.164 1.00 0.00 N ATOM 197 CA PRO A 13 6.840 19.015 -5.773 1.00 0.00 C ATOM 198 C PRO A 13 6.182 17.781 -5.140 1.00 0.00 C ATOM 199 O PRO A 13 6.449 17.434 -4.007 1.00 0.00 O ATOM 200 CB PRO A 13 5.850 20.201 -5.881 1.00 0.00 C ATOM 201 CG PRO A 13 5.707 20.551 -7.392 1.00 0.00 C ATOM 202 CD PRO A 13 6.681 19.643 -8.176 1.00 0.00 C ATOM 0 HA PRO A 13 7.689 19.272 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.883 19.934 -5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.218 21.061 -5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.682 20.392 -7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.939 21.602 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.166 19.105 -8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.473 20.226 -8.646 1.00 0.00 H new ATOM 210 N ASN A 14 5.325 17.116 -5.868 1.00 0.00 N ATOM 211 CA ASN A 14 4.653 15.905 -5.315 1.00 0.00 C ATOM 212 C ASN A 14 5.561 14.690 -5.514 1.00 0.00 C ATOM 213 O ASN A 14 5.121 13.631 -5.914 1.00 0.00 O ATOM 214 CB ASN A 14 3.329 15.677 -6.049 1.00 0.00 C ATOM 215 CG ASN A 14 2.600 14.485 -5.430 1.00 0.00 C ATOM 216 OD1 ASN A 14 2.397 13.478 -6.078 1.00 0.00 O ATOM 217 ND2 ASN A 14 2.194 14.556 -4.191 1.00 0.00 N ATOM 0 H ASN A 14 5.061 17.360 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 14 4.459 16.047 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.707 16.570 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.515 15.493 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.707 13.766 -3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.364 15.401 -3.646 1.00 0.00 H new ATOM 224 N ARG A 15 6.828 14.839 -5.239 1.00 0.00 N ATOM 225 CA ARG A 15 7.769 13.695 -5.412 1.00 0.00 C ATOM 226 C ARG A 15 7.247 12.480 -4.644 1.00 0.00 C ATOM 227 O ARG A 15 6.844 12.580 -3.502 1.00 0.00 O ATOM 228 CB ARG A 15 9.151 14.084 -4.879 1.00 0.00 C ATOM 229 CG ARG A 15 9.072 14.327 -3.364 1.00 0.00 C ATOM 230 CD ARG A 15 10.350 15.039 -2.869 1.00 0.00 C ATOM 231 NE ARG A 15 10.787 14.444 -1.566 1.00 0.00 N ATOM 232 CZ ARG A 15 9.936 14.244 -0.593 1.00 0.00 C ATOM 233 NH1 ARG A 15 8.714 14.692 -0.678 1.00 0.00 N ATOM 234 NH2 ARG A 15 10.326 13.631 0.491 1.00 0.00 N ATOM 0 H ARG A 15 7.253 15.703 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 15 7.846 13.447 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.870 13.293 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.506 14.983 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.196 14.933 -3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.951 13.378 -2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.143 14.939 -3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.160 16.105 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 15 11.766 14.190 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.415 15.203 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.058 14.531 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.290 13.310 0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.666 13.473 1.253 1.00 0.00 H new ATOM 248 N PHE A 16 7.252 11.331 -5.263 1.00 0.00 N ATOM 249 CA PHE A 16 6.759 10.107 -4.572 1.00 0.00 C ATOM 250 C PHE A 16 7.098 8.875 -5.414 1.00 0.00 C ATOM 251 O PHE A 16 7.421 7.826 -4.895 1.00 0.00 O ATOM 252 CB PHE A 16 5.242 10.198 -4.392 1.00 0.00 C ATOM 253 CG PHE A 16 4.772 9.076 -3.499 1.00 0.00 C ATOM 254 CD1 PHE A 16 4.420 7.840 -4.054 1.00 0.00 C ATOM 255 CD2 PHE A 16 4.690 9.271 -2.115 1.00 0.00 C ATOM 256 CE1 PHE A 16 3.985 6.799 -3.226 1.00 0.00 C ATOM 257 CE2 PHE A 16 4.255 8.230 -1.286 1.00 0.00 C ATOM 258 CZ PHE A 16 3.902 6.993 -1.841 1.00 0.00 C ATOM 0 H PHE A 16 7.577 11.187 -6.219 1.00 0.00 H new ATOM 0 HA PHE A 16 7.237 10.024 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.974 11.160 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.746 10.138 -5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.484 7.690 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.962 10.224 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.713 5.846 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.192 8.381 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.566 6.190 -1.202 1.00 0.00 H new ATOM 268 N ASN A 17 7.030 8.996 -6.713 1.00 0.00 N ATOM 269 CA ASN A 17 7.351 7.832 -7.586 1.00 0.00 C ATOM 270 C ASN A 17 6.567 6.599 -7.113 1.00 0.00 C ATOM 271 O ASN A 17 7.154 5.662 -6.608 1.00 0.00 O ATOM 272 CB ASN A 17 8.850 7.537 -7.504 1.00 0.00 C ATOM 273 CG ASN A 17 9.233 6.527 -8.586 1.00 0.00 C ATOM 274 OD1 ASN A 17 10.019 5.632 -8.348 1.00 0.00 O ATOM 275 ND2 ASN A 17 8.706 6.632 -9.776 1.00 0.00 N ATOM 0 H ASN A 17 6.766 9.849 -7.206 1.00 0.00 H new ATOM 0 HA ASN A 17 7.075 8.065 -8.615 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.420 8.457 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.100 7.143 -6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.954 5.963 -10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.046 7.383 -9.977 1.00 0.00 H new ATOM 282 N PRO A 18 5.260 6.626 -7.281 1.00 0.00 N ATOM 283 CA PRO A 18 4.407 5.500 -6.856 1.00 0.00 C ATOM 284 C PRO A 18 4.758 4.242 -7.668 1.00 0.00 C ATOM 285 O PRO A 18 4.491 3.131 -7.259 1.00 0.00 O ATOM 286 CB PRO A 18 2.957 5.972 -7.131 1.00 0.00 C ATOM 287 CG PRO A 18 3.041 7.384 -7.784 1.00 0.00 C ATOM 288 CD PRO A 18 4.537 7.762 -7.891 1.00 0.00 C ATOM 0 HA PRO A 18 4.543 5.236 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.445 5.273 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.384 6.011 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.576 7.378 -8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.503 8.117 -7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.834 7.908 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.748 8.693 -7.365 1.00 0.00 H new ATOM 296 N LYS A 19 5.350 4.414 -8.818 1.00 0.00 N ATOM 297 CA LYS A 19 5.713 3.240 -9.662 1.00 0.00 C ATOM 298 C LYS A 19 6.644 2.287 -8.899 1.00 0.00 C ATOM 299 O LYS A 19 6.559 1.082 -9.045 1.00 0.00 O ATOM 300 CB LYS A 19 6.427 3.731 -10.922 1.00 0.00 C ATOM 301 CG LYS A 19 6.716 2.541 -11.842 1.00 0.00 C ATOM 302 CD LYS A 19 7.081 3.048 -13.239 1.00 0.00 C ATOM 303 CE LYS A 19 7.593 1.882 -14.086 1.00 0.00 C ATOM 304 NZ LYS A 19 7.803 2.341 -15.488 1.00 0.00 N ATOM 0 H LYS A 19 5.599 5.322 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 19 4.801 2.704 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.809 4.464 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.357 4.231 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.533 1.945 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.843 1.891 -11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.210 3.501 -13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.844 3.823 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.527 1.501 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.877 1.061 -14.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.151 1.548 -16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.903 2.684 -15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.502 3.111 -15.500 1.00 0.00 H new ATOM 318 N THR A 20 7.548 2.802 -8.108 1.00 0.00 N ATOM 319 CA THR A 20 8.483 1.907 -7.382 1.00 0.00 C ATOM 320 C THR A 20 7.750 1.153 -6.267 1.00 0.00 C ATOM 321 O THR A 20 7.976 -0.022 -6.056 1.00 0.00 O ATOM 322 CB THR A 20 9.620 2.741 -6.791 1.00 0.00 C ATOM 323 OG1 THR A 20 10.382 3.318 -7.841 1.00 0.00 O ATOM 324 CG2 THR A 20 10.513 1.843 -5.945 1.00 0.00 C ATOM 0 H THR A 20 7.676 3.799 -7.937 1.00 0.00 H new ATOM 0 HA THR A 20 8.890 1.174 -8.079 1.00 0.00 H new ATOM 0 HB THR A 20 9.207 3.535 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.207 4.281 -7.881 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.326 2.433 -5.521 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.926 1.402 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.927 1.050 -6.568 1.00 0.00 H new ATOM 332 N PHE A 21 6.875 1.805 -5.553 1.00 0.00 N ATOM 333 CA PHE A 21 6.147 1.095 -4.462 1.00 0.00 C ATOM 334 C PHE A 21 5.453 -0.131 -5.075 1.00 0.00 C ATOM 335 O PHE A 21 5.345 -1.172 -4.458 1.00 0.00 O ATOM 336 CB PHE A 21 5.124 2.072 -3.807 1.00 0.00 C ATOM 337 CG PHE A 21 3.744 1.448 -3.696 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.893 1.443 -4.807 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.324 0.876 -2.490 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.622 0.866 -4.715 1.00 0.00 C ATOM 341 CE2 PHE A 21 2.053 0.297 -2.396 1.00 0.00 C ATOM 342 CZ PHE A 21 1.201 0.292 -3.509 1.00 0.00 C ATOM 0 H PHE A 21 6.633 2.788 -5.675 1.00 0.00 H new ATOM 0 HA PHE A 21 6.829 0.760 -3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.476 2.356 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.064 2.986 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.218 1.885 -5.737 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.980 0.881 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.966 0.863 -5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.729 -0.146 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.220 -0.154 -3.437 1.00 0.00 H new ATOM 352 N PHE A 22 4.989 -0.008 -6.286 1.00 0.00 N ATOM 353 CA PHE A 22 4.309 -1.155 -6.946 1.00 0.00 C ATOM 354 C PHE A 22 5.336 -2.260 -7.225 1.00 0.00 C ATOM 355 O PHE A 22 5.028 -3.438 -7.169 1.00 0.00 O ATOM 356 CB PHE A 22 3.674 -0.671 -8.256 1.00 0.00 C ATOM 357 CG PHE A 22 2.657 -1.676 -8.745 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.064 -2.750 -9.544 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.307 -1.525 -8.405 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.120 -3.675 -10.004 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.363 -2.450 -8.865 1.00 0.00 C ATOM 362 CZ PHE A 22 0.769 -3.527 -9.664 1.00 0.00 C ATOM 0 H PHE A 22 5.052 0.840 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 22 3.529 -1.556 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.195 0.296 -8.101 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.446 -0.527 -9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.106 -2.865 -9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.995 -0.695 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.433 -4.504 -10.622 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.679 -2.334 -8.604 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.041 -4.242 -10.017 1.00 0.00 H new ATOM 372 N ILE A 23 6.560 -1.899 -7.512 1.00 0.00 N ATOM 373 CA ILE A 23 7.583 -2.936 -7.779 1.00 0.00 C ATOM 374 C ILE A 23 7.963 -3.611 -6.461 1.00 0.00 C ATOM 375 O ILE A 23 7.782 -4.796 -6.289 1.00 0.00 O ATOM 376 CB ILE A 23 8.811 -2.280 -8.407 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.436 -1.725 -9.786 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.917 -3.321 -8.555 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.592 -0.892 -10.347 1.00 0.00 C ATOM 0 H ILE A 23 6.888 -0.935 -7.571 1.00 0.00 H new ATOM 0 HA ILE A 23 7.189 -3.685 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 23 9.162 -1.467 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.204 -2.545 -10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.539 -1.111 -9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.796 -2.857 -9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.177 -3.718 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.570 -4.133 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.317 -0.502 -11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.804 -0.063 -9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.479 -1.518 -10.442 1.00 0.00 H new ATOM 391 N LEU A 24 8.492 -2.872 -5.526 1.00 0.00 N ATOM 392 CA LEU A 24 8.887 -3.492 -4.222 1.00 0.00 C ATOM 393 C LEU A 24 7.779 -4.451 -3.712 1.00 0.00 C ATOM 394 O LEU A 24 8.065 -5.395 -3.005 1.00 0.00 O ATOM 395 CB LEU A 24 9.146 -2.372 -3.185 1.00 0.00 C ATOM 396 CG LEU A 24 10.301 -2.744 -2.232 1.00 0.00 C ATOM 397 CD1 LEU A 24 10.006 -4.083 -1.549 1.00 0.00 C ATOM 398 CD2 LEU A 24 11.638 -2.827 -3.004 1.00 0.00 C ATOM 0 H LEU A 24 8.669 -1.870 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 24 9.797 -4.075 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.384 -1.443 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.239 -2.192 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 24 10.387 -1.967 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.826 -4.338 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.081 -4.004 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.900 -4.861 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.440 -3.090 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.563 -3.588 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.855 -1.862 -3.461 1.00 0.00 H new ATOM 410 N HIS A 25 6.527 -4.238 -4.055 1.00 0.00 N ATOM 411 CA HIS A 25 5.458 -5.162 -3.567 1.00 0.00 C ATOM 412 C HIS A 25 5.253 -6.312 -4.562 1.00 0.00 C ATOM 413 O HIS A 25 4.621 -7.302 -4.248 1.00 0.00 O ATOM 414 CB HIS A 25 4.147 -4.388 -3.415 1.00 0.00 C ATOM 415 CG HIS A 25 4.356 -3.223 -2.488 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.607 -2.669 -2.265 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.482 -2.495 -1.718 1.00 0.00 C ATOM 418 CE1 HIS A 25 5.453 -1.656 -1.393 1.00 0.00 C ATOM 419 NE2 HIS A 25 4.177 -1.506 -1.027 1.00 0.00 N ATOM 0 H HIS A 25 6.205 -3.471 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 25 5.761 -5.574 -2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.806 -4.035 -4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.369 -5.043 -3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.417 -2.664 -1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.263 -1.039 -1.033 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.794 -0.816 -0.381 1.00 0.00 H new ATOM 427 N ASP A 26 5.779 -6.204 -5.755 1.00 0.00 N ATOM 428 CA ASP A 26 5.599 -7.311 -6.743 1.00 0.00 C ATOM 429 C ASP A 26 6.504 -8.497 -6.359 1.00 0.00 C ATOM 430 O ASP A 26 7.394 -8.894 -7.085 1.00 0.00 O ATOM 431 CB ASP A 26 5.920 -6.796 -8.156 1.00 0.00 C ATOM 432 CG ASP A 26 7.434 -6.653 -8.367 1.00 0.00 C ATOM 433 OD1 ASP A 26 8.169 -6.763 -7.401 1.00 0.00 O ATOM 434 OD2 ASP A 26 7.832 -6.433 -9.499 1.00 0.00 O ATOM 0 H ASP A 26 6.320 -5.405 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 26 4.565 -7.656 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.511 -7.482 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.436 -5.832 -8.313 1.00 0.00 H new ATOM 439 N ILE A 27 6.273 -9.067 -5.207 1.00 0.00 N ATOM 440 CA ILE A 27 7.102 -10.207 -4.738 1.00 0.00 C ATOM 441 C ILE A 27 7.241 -11.273 -5.834 1.00 0.00 C ATOM 442 O ILE A 27 8.334 -11.691 -6.159 1.00 0.00 O ATOM 443 CB ILE A 27 6.427 -10.818 -3.507 1.00 0.00 C ATOM 444 CG1 ILE A 27 6.228 -9.733 -2.440 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.309 -11.923 -2.935 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.464 -10.312 -1.246 1.00 0.00 C ATOM 0 H ILE A 27 5.533 -8.784 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 27 8.101 -9.848 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 27 5.461 -11.232 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.195 -9.350 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.678 -8.892 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.827 -12.357 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.457 -12.697 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.275 -11.506 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.326 -9.537 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.491 -10.673 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.031 -11.138 -0.817 1.00 0.00 H new ATOM 458 N ASN A 28 6.154 -11.727 -6.402 1.00 0.00 N ATOM 459 CA ASN A 28 6.255 -12.779 -7.469 1.00 0.00 C ATOM 460 C ASN A 28 6.383 -12.121 -8.844 1.00 0.00 C ATOM 461 O ASN A 28 6.278 -12.777 -9.862 1.00 0.00 O ATOM 462 CB ASN A 28 5.017 -13.684 -7.444 1.00 0.00 C ATOM 463 CG ASN A 28 5.234 -14.874 -8.384 1.00 0.00 C ATOM 464 OD1 ASN A 28 6.389 -15.029 -8.975 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 4.340 -15.673 -8.584 1.00 0.00 N flip ATOM 0 H ASN A 28 5.207 -11.421 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 28 7.141 -13.384 -7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.832 -14.037 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.136 -13.121 -7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.437 -15.554 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.492 -16.462 -9.212 1.00 0.00 H new ATOM 472 N SER A 29 6.636 -10.841 -8.886 1.00 0.00 N ATOM 473 CA SER A 29 6.802 -10.144 -10.198 1.00 0.00 C ATOM 474 C SER A 29 5.749 -10.621 -11.201 1.00 0.00 C ATOM 475 O SER A 29 6.068 -10.985 -12.316 1.00 0.00 O ATOM 476 CB SER A 29 8.192 -10.442 -10.752 1.00 0.00 C ATOM 477 OG SER A 29 8.203 -11.744 -11.323 1.00 0.00 O ATOM 0 H SER A 29 6.736 -10.244 -8.065 1.00 0.00 H new ATOM 0 HA SER A 29 6.679 -9.072 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.463 -9.701 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.935 -10.375 -9.957 1.00 0.00 H new ATOM 0 HG SER A 29 7.670 -11.745 -12.145 1.00 0.00 H new ATOM 483 N ASP A 30 4.495 -10.613 -10.827 1.00 0.00 N ATOM 484 CA ASP A 30 3.427 -11.056 -11.775 1.00 0.00 C ATOM 485 C ASP A 30 2.857 -9.823 -12.475 1.00 0.00 C ATOM 486 O ASP A 30 2.015 -9.916 -13.345 1.00 0.00 O ATOM 487 CB ASP A 30 2.315 -11.762 -10.995 1.00 0.00 C ATOM 488 CG ASP A 30 1.233 -12.238 -11.966 1.00 0.00 C ATOM 489 OD1 ASP A 30 0.428 -11.417 -12.374 1.00 0.00 O ATOM 490 OD2 ASP A 30 1.228 -13.415 -12.285 1.00 0.00 O ATOM 0 H ASP A 30 4.164 -10.319 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 30 3.841 -11.745 -12.511 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.724 -12.610 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.885 -11.083 -10.259 1.00 0.00 H new ATOM 495 N GLY A 31 3.316 -8.666 -12.086 1.00 0.00 N ATOM 496 CA GLY A 31 2.818 -7.404 -12.701 1.00 0.00 C ATOM 497 C GLY A 31 1.455 -7.041 -12.106 1.00 0.00 C ATOM 498 O GLY A 31 0.838 -6.074 -12.508 1.00 0.00 O ATOM 0 H GLY A 31 4.022 -8.540 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.529 -6.597 -12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.734 -7.523 -13.781 1.00 0.00 H new ATOM 502 N VAL A 32 0.988 -7.789 -11.132 1.00 0.00 N ATOM 503 CA VAL A 32 -0.326 -7.460 -10.490 1.00 0.00 C ATOM 504 C VAL A 32 -0.240 -7.779 -8.991 1.00 0.00 C ATOM 505 O VAL A 32 0.626 -8.517 -8.563 1.00 0.00 O ATOM 506 CB VAL A 32 -1.464 -8.277 -11.158 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.129 -8.508 -12.632 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.664 -9.637 -10.465 1.00 0.00 C ATOM 0 H VAL A 32 1.459 -8.611 -10.755 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.547 -6.401 -10.621 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.388 -7.706 -11.064 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.928 -9.082 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.027 -7.547 -13.137 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.192 -9.060 -12.710 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.468 -10.182 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.742 -10.216 -10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.923 -9.477 -9.418 1.00 0.00 H new ATOM 518 N LEU A 33 -1.160 -7.274 -8.204 1.00 0.00 N ATOM 519 CA LEU A 33 -1.169 -7.601 -6.722 1.00 0.00 C ATOM 520 C LEU A 33 -2.458 -8.382 -6.449 1.00 0.00 C ATOM 521 O LEU A 33 -3.545 -7.913 -6.727 1.00 0.00 O ATOM 522 CB LEU A 33 -1.099 -6.316 -5.835 1.00 0.00 C ATOM 523 CG LEU A 33 0.321 -6.131 -5.262 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.380 -6.251 -6.383 1.00 0.00 C ATOM 525 CD2 LEU A 33 0.415 -4.748 -4.597 1.00 0.00 C ATOM 0 H LEU A 33 -1.907 -6.651 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.288 -8.189 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.375 -5.443 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.819 -6.390 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 33 0.515 -6.910 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.375 -6.118 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.311 -7.236 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.201 -5.484 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.416 -4.608 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.213 -3.974 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.318 -4.680 -3.793 1.00 0.00 H new ATOM 537 N ASP A 34 -2.340 -9.587 -5.947 1.00 0.00 N ATOM 538 CA ASP A 34 -3.556 -10.437 -5.696 1.00 0.00 C ATOM 539 C ASP A 34 -3.878 -10.513 -4.195 1.00 0.00 C ATOM 540 O ASP A 34 -3.145 -10.027 -3.359 1.00 0.00 O ATOM 541 CB ASP A 34 -3.317 -11.848 -6.269 1.00 0.00 C ATOM 542 CG ASP A 34 -2.476 -11.751 -7.545 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.397 -11.183 -7.481 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.921 -12.253 -8.562 1.00 0.00 O ATOM 0 H ASP A 34 -1.453 -10.024 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.413 -9.983 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.807 -12.469 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.271 -12.329 -6.486 1.00 0.00 H new ATOM 549 N GLU A 35 -4.997 -11.106 -3.862 1.00 0.00 N ATOM 550 CA GLU A 35 -5.427 -11.211 -2.428 1.00 0.00 C ATOM 551 C GLU A 35 -4.344 -11.843 -1.544 1.00 0.00 C ATOM 552 O GLU A 35 -4.131 -11.402 -0.431 1.00 0.00 O ATOM 553 CB GLU A 35 -6.710 -12.039 -2.342 1.00 0.00 C ATOM 554 CG GLU A 35 -7.330 -11.876 -0.955 1.00 0.00 C ATOM 555 CD GLU A 35 -8.588 -12.742 -0.851 1.00 0.00 C ATOM 556 OE1 GLU A 35 -9.310 -12.820 -1.830 1.00 0.00 O ATOM 557 OE2 GLU A 35 -8.807 -13.310 0.206 1.00 0.00 O ATOM 0 H GLU A 35 -5.642 -11.528 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.603 -10.201 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.416 -11.716 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.491 -13.090 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.612 -12.166 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.580 -10.830 -0.778 1.00 0.00 H new ATOM 564 N GLN A 36 -3.660 -12.850 -1.987 1.00 0.00 N ATOM 565 CA GLN A 36 -2.619 -13.450 -1.113 1.00 0.00 C ATOM 566 C GLN A 36 -1.555 -12.392 -0.820 1.00 0.00 C ATOM 567 O GLN A 36 -0.865 -12.454 0.180 1.00 0.00 O ATOM 568 CB GLN A 36 -1.995 -14.681 -1.794 1.00 0.00 C ATOM 569 CG GLN A 36 -1.217 -14.281 -3.064 1.00 0.00 C ATOM 570 CD GLN A 36 0.236 -13.926 -2.717 1.00 0.00 C ATOM 571 OE1 GLN A 36 0.594 -13.801 -1.467 1.00 0.00 O flip ATOM 572 NE2 GLN A 36 1.058 -13.767 -3.597 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.771 -13.282 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.067 -13.781 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.325 -15.185 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.779 -15.393 -2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.235 -15.101 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.702 -13.429 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.784 -13.863 -4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.023 -13.537 -3.358 1.00 0.00 H new ATOM 581 N GLU A 37 -1.417 -11.412 -1.678 1.00 0.00 N ATOM 582 CA GLU A 37 -0.390 -10.349 -1.430 1.00 0.00 C ATOM 583 C GLU A 37 -0.944 -9.317 -0.433 1.00 0.00 C ATOM 584 O GLU A 37 -0.248 -8.881 0.461 1.00 0.00 O ATOM 585 CB GLU A 37 0.001 -9.662 -2.752 1.00 0.00 C ATOM 586 CG GLU A 37 0.937 -10.575 -3.546 1.00 0.00 C ATOM 587 CD GLU A 37 1.315 -9.895 -4.863 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.120 -8.981 -4.826 1.00 0.00 O ATOM 589 OE2 GLU A 37 0.790 -10.302 -5.889 1.00 0.00 O ATOM 0 H GLU A 37 -1.964 -11.301 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 37 0.503 -10.809 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.892 -9.442 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.491 -8.710 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.834 -10.789 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.450 -11.530 -3.744 1.00 0.00 H new ATOM 596 N LEU A 38 -2.194 -8.944 -0.555 1.00 0.00 N ATOM 597 CA LEU A 38 -2.782 -7.969 0.411 1.00 0.00 C ATOM 598 C LEU A 38 -3.063 -8.694 1.732 1.00 0.00 C ATOM 599 O LEU A 38 -2.991 -8.108 2.793 1.00 0.00 O ATOM 600 CB LEU A 38 -4.091 -7.378 -0.156 1.00 0.00 C ATOM 601 CG LEU A 38 -3.988 -7.162 -1.685 1.00 0.00 C ATOM 602 CD1 LEU A 38 -5.287 -6.524 -2.211 1.00 0.00 C ATOM 603 CD2 LEU A 38 -2.810 -6.235 -2.037 1.00 0.00 C ATOM 0 H LEU A 38 -2.831 -9.273 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.081 -7.151 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.922 -8.048 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.308 -6.429 0.335 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.827 -8.135 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.209 -6.374 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.129 -7.183 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.444 -5.563 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.762 -6.102 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.953 -5.267 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.879 -6.680 -1.685 1.00 0.00 H new ATOM 615 N GLU A 39 -3.359 -9.963 1.687 1.00 0.00 N ATOM 616 CA GLU A 39 -3.611 -10.702 2.947 1.00 0.00 C ATOM 617 C GLU A 39 -2.348 -10.643 3.812 1.00 0.00 C ATOM 618 O GLU A 39 -2.403 -10.380 4.999 1.00 0.00 O ATOM 619 CB GLU A 39 -3.938 -12.159 2.615 1.00 0.00 C ATOM 620 CG GLU A 39 -4.542 -12.835 3.842 1.00 0.00 C ATOM 621 CD GLU A 39 -4.803 -14.311 3.539 1.00 0.00 C ATOM 622 OE1 GLU A 39 -5.788 -14.594 2.876 1.00 0.00 O ATOM 623 OE2 GLU A 39 -4.014 -15.133 3.974 1.00 0.00 O ATOM 0 H GLU A 39 -3.436 -10.516 0.833 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.448 -10.257 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.637 -12.205 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.035 -12.684 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.865 -12.742 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.473 -12.341 4.121 1.00 0.00 H new ATOM 630 N ALA A 40 -1.210 -10.892 3.221 1.00 0.00 N ATOM 631 CA ALA A 40 0.064 -10.861 3.995 1.00 0.00 C ATOM 632 C ALA A 40 0.462 -9.417 4.327 1.00 0.00 C ATOM 633 O ALA A 40 1.111 -9.159 5.320 1.00 0.00 O ATOM 634 CB ALA A 40 1.166 -11.512 3.167 1.00 0.00 C ATOM 0 H ALA A 40 -1.108 -11.116 2.231 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.077 -11.406 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.101 -11.493 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.895 -12.545 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.291 -10.964 2.233 1.00 0.00 H new ATOM 640 N LEU A 41 0.097 -8.477 3.498 1.00 0.00 N ATOM 641 CA LEU A 41 0.482 -7.058 3.766 1.00 0.00 C ATOM 642 C LEU A 41 -0.343 -6.494 4.939 1.00 0.00 C ATOM 643 O LEU A 41 0.082 -5.579 5.618 1.00 0.00 O ATOM 644 CB LEU A 41 0.250 -6.220 2.480 1.00 0.00 C ATOM 645 CG LEU A 41 1.420 -5.257 2.241 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.218 -4.529 0.910 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.480 -4.234 3.376 1.00 0.00 C ATOM 0 H LEU A 41 -0.449 -8.627 2.650 1.00 0.00 H new ATOM 0 HA LEU A 41 1.535 -7.009 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.138 -6.884 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.679 -5.656 2.570 1.00 0.00 H new ATOM 0 HG LEU A 41 2.353 -5.821 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.049 -3.845 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.176 -5.257 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.285 -3.966 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.311 -3.550 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.547 -3.671 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.624 -4.751 4.325 1.00 0.00 H new ATOM 659 N PHE A 42 -1.516 -7.022 5.182 1.00 0.00 N ATOM 660 CA PHE A 42 -2.349 -6.490 6.307 1.00 0.00 C ATOM 661 C PHE A 42 -1.866 -7.083 7.633 1.00 0.00 C ATOM 662 O PHE A 42 -1.656 -6.378 8.602 1.00 0.00 O ATOM 663 CB PHE A 42 -3.836 -6.844 6.101 1.00 0.00 C ATOM 664 CG PHE A 42 -4.421 -6.059 4.928 1.00 0.00 C ATOM 665 CD1 PHE A 42 -4.364 -4.649 4.911 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.012 -6.736 3.843 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.886 -3.939 3.824 1.00 0.00 C ATOM 668 CE2 PHE A 42 -5.524 -6.018 2.761 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.460 -4.622 2.750 1.00 0.00 C ATOM 0 H PHE A 42 -1.931 -7.791 4.657 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.246 -5.405 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.938 -7.913 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.397 -6.622 7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.917 -4.117 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.069 -7.814 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.845 -2.860 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.971 -6.543 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.855 -4.071 1.910 1.00 0.00 H new ATOM 679 N THR A 43 -1.702 -8.375 7.691 1.00 0.00 N ATOM 680 CA THR A 43 -1.256 -9.019 8.959 1.00 0.00 C ATOM 681 C THR A 43 0.108 -8.473 9.412 1.00 0.00 C ATOM 682 O THR A 43 0.294 -8.142 10.565 1.00 0.00 O ATOM 683 CB THR A 43 -1.158 -10.534 8.739 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.463 -11.062 8.549 1.00 0.00 O ATOM 685 CG2 THR A 43 -0.512 -11.199 9.957 1.00 0.00 C ATOM 0 H THR A 43 -1.858 -9.015 6.912 1.00 0.00 H new ATOM 0 HA THR A 43 -1.983 -8.795 9.739 1.00 0.00 H new ATOM 0 HB THR A 43 -0.546 -10.732 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.407 -12.030 8.406 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.446 -12.274 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.489 -10.793 10.105 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.118 -11.004 10.842 1.00 0.00 H new ATOM 693 N LYS A 44 1.075 -8.414 8.534 1.00 0.00 N ATOM 694 CA LYS A 44 2.425 -7.935 8.958 1.00 0.00 C ATOM 695 C LYS A 44 2.403 -6.454 9.348 1.00 0.00 C ATOM 696 O LYS A 44 3.030 -6.058 10.307 1.00 0.00 O ATOM 697 CB LYS A 44 3.455 -8.189 7.836 1.00 0.00 C ATOM 698 CG LYS A 44 3.356 -7.137 6.709 1.00 0.00 C ATOM 699 CD LYS A 44 4.484 -7.357 5.691 1.00 0.00 C ATOM 700 CE LYS A 44 4.464 -8.796 5.173 1.00 0.00 C ATOM 701 NZ LYS A 44 5.157 -8.859 3.855 1.00 0.00 N ATOM 0 H LYS A 44 0.991 -8.674 7.551 1.00 0.00 H new ATOM 0 HA LYS A 44 2.719 -8.499 9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.460 -8.175 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.298 -9.183 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.388 -7.211 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.423 -6.133 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.371 -6.663 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.447 -7.144 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.956 -9.458 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.436 -9.143 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.144 -9.837 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.670 -8.240 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.142 -8.544 3.965 1.00 0.00 H new ATOM 715 N GLU A 45 1.715 -5.623 8.627 1.00 0.00 N ATOM 716 CA GLU A 45 1.721 -4.182 9.007 1.00 0.00 C ATOM 717 C GLU A 45 1.235 -4.060 10.453 1.00 0.00 C ATOM 718 O GLU A 45 1.602 -3.150 11.169 1.00 0.00 O ATOM 719 CB GLU A 45 0.813 -3.378 8.068 1.00 0.00 C ATOM 720 CG GLU A 45 1.567 -3.044 6.769 1.00 0.00 C ATOM 721 CD GLU A 45 2.516 -1.868 7.013 1.00 0.00 C ATOM 722 OE1 GLU A 45 2.062 -0.863 7.535 1.00 0.00 O ATOM 723 OE2 GLU A 45 3.681 -1.994 6.675 1.00 0.00 O ATOM 0 H GLU A 45 1.159 -5.867 7.808 1.00 0.00 H new ATOM 0 HA GLU A 45 2.731 -3.781 8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.086 -3.950 7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.491 -2.459 8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.130 -3.914 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.858 -2.795 5.979 1.00 0.00 H new ATOM 730 N LEU A 46 0.415 -4.979 10.888 1.00 0.00 N ATOM 731 CA LEU A 46 -0.093 -4.928 12.291 1.00 0.00 C ATOM 732 C LEU A 46 0.899 -5.616 13.238 1.00 0.00 C ATOM 733 O LEU A 46 0.945 -5.322 14.416 1.00 0.00 O ATOM 734 CB LEU A 46 -1.435 -5.661 12.371 1.00 0.00 C ATOM 735 CG LEU A 46 -2.490 -4.976 11.464 1.00 0.00 C ATOM 736 CD1 LEU A 46 -3.573 -5.994 11.087 1.00 0.00 C ATOM 737 CD2 LEU A 46 -3.164 -3.802 12.200 1.00 0.00 C ATOM 0 H LEU A 46 0.074 -5.764 10.332 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.213 -3.885 12.584 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.306 -6.700 12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.788 -5.673 13.402 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.985 -4.601 10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.316 -5.515 10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.118 -6.828 10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.055 -6.364 11.992 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.900 -3.336 11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.659 -4.172 13.098 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.410 -3.066 12.479 1.00 0.00 H new ATOM 749 N GLU A 47 1.675 -6.546 12.746 1.00 0.00 N ATOM 750 CA GLU A 47 2.634 -7.263 13.639 1.00 0.00 C ATOM 751 C GLU A 47 3.707 -6.296 14.166 1.00 0.00 C ATOM 752 O GLU A 47 4.594 -6.694 14.893 1.00 0.00 O ATOM 753 CB GLU A 47 3.266 -8.455 12.874 1.00 0.00 C ATOM 754 CG GLU A 47 4.567 -8.055 12.143 1.00 0.00 C ATOM 755 CD GLU A 47 5.765 -8.181 13.091 1.00 0.00 C ATOM 756 OE1 GLU A 47 6.010 -9.280 13.561 1.00 0.00 O ATOM 757 OE2 GLU A 47 6.414 -7.177 13.331 1.00 0.00 O ATOM 0 H GLU A 47 1.687 -6.839 11.769 1.00 0.00 H new ATOM 0 HA GLU A 47 2.099 -7.656 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.478 -9.263 13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.549 -8.841 12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.714 -8.693 11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.488 -7.031 11.778 1.00 0.00 H new ATOM 764 N LYS A 48 3.634 -5.031 13.805 1.00 0.00 N ATOM 765 CA LYS A 48 4.659 -4.037 14.287 1.00 0.00 C ATOM 766 C LYS A 48 3.990 -2.899 15.076 1.00 0.00 C ATOM 767 O LYS A 48 4.358 -1.748 14.953 1.00 0.00 O ATOM 768 CB LYS A 48 5.433 -3.472 13.079 1.00 0.00 C ATOM 769 CG LYS A 48 4.593 -2.423 12.312 1.00 0.00 C ATOM 770 CD LYS A 48 4.973 -2.439 10.827 1.00 0.00 C ATOM 771 CE LYS A 48 4.216 -1.332 10.092 1.00 0.00 C ATOM 772 NZ LYS A 48 4.642 -0.004 10.621 1.00 0.00 N ATOM 0 H LYS A 48 2.911 -4.644 13.199 1.00 0.00 H new ATOM 0 HA LYS A 48 5.354 -4.544 14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.363 -3.017 13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.705 -4.285 12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.531 -2.639 12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.764 -1.431 12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.048 -2.295 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.734 -3.409 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.414 -1.390 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.142 -1.461 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.455 0.730 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.110 0.211 11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.659 -0.026 10.836 1.00 0.00 H new ATOM 786 N VAL A 49 3.040 -3.210 15.923 1.00 0.00 N ATOM 787 CA VAL A 49 2.397 -2.132 16.740 1.00 0.00 C ATOM 788 C VAL A 49 1.464 -2.741 17.802 1.00 0.00 C ATOM 789 O VAL A 49 1.390 -2.255 18.914 1.00 0.00 O ATOM 790 CB VAL A 49 1.635 -1.132 15.826 1.00 0.00 C ATOM 791 CG1 VAL A 49 1.078 -1.812 14.565 1.00 0.00 C ATOM 792 CG2 VAL A 49 0.506 -0.430 16.604 1.00 0.00 C ATOM 0 H VAL A 49 2.684 -4.152 16.084 1.00 0.00 H new ATOM 0 HA VAL A 49 3.179 -1.579 17.260 1.00 0.00 H new ATOM 0 HB VAL A 49 2.356 -0.382 15.501 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.553 -1.076 13.956 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.899 -2.240 13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.386 -2.603 14.854 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.013 0.265 15.944 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.199 -1.175 16.973 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.930 0.117 17.446 1.00 0.00 H new ATOM 802 N TYR A 50 0.752 -3.784 17.480 1.00 0.00 N ATOM 803 CA TYR A 50 -0.175 -4.403 18.481 1.00 0.00 C ATOM 804 C TYR A 50 0.534 -5.566 19.187 1.00 0.00 C ATOM 805 O TYR A 50 0.065 -6.069 20.189 1.00 0.00 O ATOM 806 CB TYR A 50 -1.436 -4.911 17.755 1.00 0.00 C ATOM 807 CG TYR A 50 -2.468 -3.799 17.679 1.00 0.00 C ATOM 808 CD1 TYR A 50 -3.043 -3.306 18.856 1.00 0.00 C ATOM 809 CD2 TYR A 50 -2.849 -3.266 16.439 1.00 0.00 C ATOM 810 CE1 TYR A 50 -3.997 -2.283 18.797 1.00 0.00 C ATOM 811 CE2 TYR A 50 -3.803 -2.243 16.381 1.00 0.00 C ATOM 812 CZ TYR A 50 -4.377 -1.751 17.559 1.00 0.00 C ATOM 813 OH TYR A 50 -5.316 -0.743 17.501 1.00 0.00 O ATOM 0 H TYR A 50 0.769 -4.239 16.567 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.464 -3.662 19.227 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.178 -5.249 16.752 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.851 -5.769 18.284 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.750 -3.716 19.812 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.407 -3.645 15.529 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.440 -1.904 19.706 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.096 -1.833 15.426 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.464 -0.487 16.567 1.00 0.00 H new ATOM 823 N ASP A 51 1.658 -5.992 18.683 1.00 0.00 N ATOM 824 CA ASP A 51 2.382 -7.114 19.344 1.00 0.00 C ATOM 825 C ASP A 51 1.414 -8.285 19.583 1.00 0.00 C ATOM 826 O ASP A 51 0.980 -8.495 20.699 1.00 0.00 O ATOM 827 CB ASP A 51 2.927 -6.633 20.691 1.00 0.00 C ATOM 828 CG ASP A 51 3.752 -5.362 20.485 1.00 0.00 C ATOM 829 OD1 ASP A 51 3.295 -4.494 19.761 1.00 0.00 O ATOM 830 OD2 ASP A 51 4.829 -5.279 21.054 1.00 0.00 O ATOM 0 H ASP A 51 2.105 -5.615 17.847 1.00 0.00 H new ATOM 0 HA ASP A 51 3.201 -7.444 18.705 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.104 -6.437 21.379 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.543 -7.410 21.144 1.00 0.00 H new ATOM 835 N PRO A 52 1.092 -9.018 18.536 1.00 0.00 N ATOM 836 CA PRO A 52 0.165 -10.164 18.648 1.00 0.00 C ATOM 837 C PRO A 52 0.787 -11.273 19.513 1.00 0.00 C ATOM 838 O PRO A 52 0.311 -12.390 19.543 1.00 0.00 O ATOM 839 CB PRO A 52 -0.055 -10.640 17.190 1.00 0.00 C ATOM 840 CG PRO A 52 0.831 -9.750 16.269 1.00 0.00 C ATOM 841 CD PRO A 52 1.607 -8.767 17.173 1.00 0.00 C ATOM 0 HA PRO A 52 -0.776 -9.896 19.129 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.216 -11.690 17.084 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.105 -10.553 16.912 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.521 -10.365 15.692 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.214 -9.206 15.554 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.681 -8.943 17.118 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.437 -7.734 16.870 1.00 0.00 H new ATOM 849 N LYS A 53 1.845 -10.963 20.214 1.00 0.00 N ATOM 850 CA LYS A 53 2.518 -11.979 21.088 1.00 0.00 C ATOM 851 C LYS A 53 2.227 -11.659 22.557 1.00 0.00 C ATOM 852 O LYS A 53 2.131 -12.539 23.388 1.00 0.00 O ATOM 853 CB LYS A 53 4.029 -11.924 20.844 1.00 0.00 C ATOM 854 CG LYS A 53 4.350 -12.473 19.441 1.00 0.00 C ATOM 855 CD LYS A 53 5.717 -11.939 18.951 1.00 0.00 C ATOM 856 CE LYS A 53 5.532 -10.640 18.153 1.00 0.00 C ATOM 857 NZ LYS A 53 5.002 -9.570 19.045 1.00 0.00 N ATOM 0 H LYS A 53 2.279 -10.040 20.221 1.00 0.00 H new ATOM 0 HA LYS A 53 2.142 -12.975 20.853 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.384 -10.897 20.933 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.551 -12.509 21.602 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.366 -13.563 19.465 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.567 -12.181 18.742 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.371 -11.759 19.804 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.205 -12.689 18.328 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.484 -10.329 17.722 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.846 -10.807 17.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.100 -8.647 18.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.998 -9.751 19.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.538 -9.564 19.936 1.00 0.00 H new ATOM 871 N ASN A 54 2.076 -10.403 22.877 1.00 0.00 N ATOM 872 CA ASN A 54 1.780 -10.012 24.286 1.00 0.00 C ATOM 873 C ASN A 54 0.392 -10.518 24.688 1.00 0.00 C ATOM 874 O ASN A 54 -0.142 -10.136 25.710 1.00 0.00 O ATOM 875 CB ASN A 54 1.819 -8.486 24.407 1.00 0.00 C ATOM 876 CG ASN A 54 0.721 -7.879 23.512 1.00 0.00 C ATOM 877 OD1 ASN A 54 -0.001 -8.607 22.861 1.00 0.00 O ATOM 878 ND2 ASN A 54 0.553 -6.574 23.439 1.00 0.00 N ATOM 0 H ASN A 54 2.145 -9.626 22.220 1.00 0.00 H new ATOM 0 HA ASN A 54 2.527 -10.454 24.946 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.666 -8.187 25.444 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.798 -8.110 24.108 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.177 -6.186 22.841 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.153 -5.952 23.981 1.00 0.00 H new ATOM 885 N GLU A 55 -0.196 -11.380 23.904 1.00 0.00 N ATOM 886 CA GLU A 55 -1.540 -11.910 24.258 1.00 0.00 C ATOM 887 C GLU A 55 -2.473 -10.749 24.597 1.00 0.00 C ATOM 888 O GLU A 55 -2.345 -9.669 24.059 1.00 0.00 O ATOM 889 CB GLU A 55 -1.420 -12.838 25.467 1.00 0.00 C ATOM 890 CG GLU A 55 -0.373 -13.916 25.181 1.00 0.00 C ATOM 891 CD GLU A 55 -0.300 -14.885 26.362 1.00 0.00 C ATOM 892 OE1 GLU A 55 0.380 -14.566 27.323 1.00 0.00 O ATOM 893 OE2 GLU A 55 -0.925 -15.930 26.284 1.00 0.00 O ATOM 0 H GLU A 55 0.197 -11.739 23.034 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.945 -12.466 23.412 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.137 -12.266 26.351 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.384 -13.300 25.681 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.631 -14.456 24.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.601 -13.456 25.014 1.00 0.00 H new ATOM 900 N GLU A 56 -3.392 -10.967 25.499 1.00 0.00 N ATOM 901 CA GLU A 56 -4.341 -9.890 25.904 1.00 0.00 C ATOM 902 C GLU A 56 -5.097 -9.363 24.674 1.00 0.00 C ATOM 903 O GLU A 56 -6.278 -9.604 24.514 1.00 0.00 O ATOM 904 CB GLU A 56 -3.557 -8.750 26.585 1.00 0.00 C ATOM 905 CG GLU A 56 -4.443 -8.060 27.625 1.00 0.00 C ATOM 906 CD GLU A 56 -3.669 -6.913 28.278 1.00 0.00 C ATOM 907 OE1 GLU A 56 -2.674 -7.189 28.928 1.00 0.00 O ATOM 908 OE2 GLU A 56 -4.084 -5.777 28.116 1.00 0.00 O ATOM 0 H GLU A 56 -3.527 -11.857 25.978 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.070 -10.292 26.608 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.662 -9.147 27.063 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.226 -8.028 25.839 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.348 -7.679 27.151 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.758 -8.777 28.383 1.00 0.00 H new ATOM 915 N ASP A 57 -4.431 -8.654 23.807 1.00 0.00 N ATOM 916 CA ASP A 57 -5.108 -8.121 22.597 1.00 0.00 C ATOM 917 C ASP A 57 -5.296 -9.246 21.583 1.00 0.00 C ATOM 918 O ASP A 57 -4.526 -9.398 20.657 1.00 0.00 O ATOM 919 CB ASP A 57 -4.250 -7.015 21.978 1.00 0.00 C ATOM 920 CG ASP A 57 -4.967 -6.437 20.756 1.00 0.00 C ATOM 921 OD1 ASP A 57 -6.147 -6.150 20.867 1.00 0.00 O ATOM 922 OD2 ASP A 57 -4.323 -6.294 19.729 1.00 0.00 O ATOM 0 H ASP A 57 -3.441 -8.420 23.887 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.081 -7.714 22.874 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.067 -6.229 22.711 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.278 -7.414 21.688 1.00 0.00 H new ATOM 927 N ASP A 58 -6.309 -10.045 21.766 1.00 0.00 N ATOM 928 CA ASP A 58 -6.564 -11.182 20.827 1.00 0.00 C ATOM 929 C ASP A 58 -6.708 -10.674 19.381 1.00 0.00 C ATOM 930 O ASP A 58 -7.135 -11.402 18.507 1.00 0.00 O ATOM 931 CB ASP A 58 -7.852 -11.897 21.241 1.00 0.00 C ATOM 932 CG ASP A 58 -8.017 -13.172 20.411 1.00 0.00 C ATOM 933 OD1 ASP A 58 -7.360 -14.150 20.728 1.00 0.00 O ATOM 934 OD2 ASP A 58 -8.798 -13.149 19.475 1.00 0.00 O ATOM 0 H ASP A 58 -6.979 -9.962 22.531 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.719 -11.869 20.873 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.819 -12.143 22.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.709 -11.240 21.093 1.00 0.00 H new ATOM 939 N MET A 59 -6.361 -9.439 19.122 1.00 0.00 N ATOM 940 CA MET A 59 -6.475 -8.894 17.742 1.00 0.00 C ATOM 941 C MET A 59 -7.916 -9.047 17.256 1.00 0.00 C ATOM 942 O MET A 59 -8.200 -8.944 16.079 1.00 0.00 O ATOM 943 CB MET A 59 -5.525 -9.652 16.810 1.00 0.00 C ATOM 944 CG MET A 59 -4.105 -9.628 17.386 1.00 0.00 C ATOM 945 SD MET A 59 -3.459 -7.938 17.324 1.00 0.00 S ATOM 946 CE MET A 59 -2.805 -8.007 15.638 1.00 0.00 C ATOM 0 H MET A 59 -6.001 -8.783 19.815 1.00 0.00 H new ATOM 0 HA MET A 59 -6.205 -7.838 17.741 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.862 -10.682 16.691 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.533 -9.198 15.819 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.112 -9.989 18.415 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.459 -10.297 16.818 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.304 -7.068 15.403 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.093 -8.828 15.557 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.624 -8.167 14.936 1.00 0.00 H new ATOM 956 N ARG A 60 -8.830 -9.286 18.160 1.00 0.00 N ATOM 957 CA ARG A 60 -10.262 -9.441 17.768 1.00 0.00 C ATOM 958 C ARG A 60 -10.989 -8.112 17.986 1.00 0.00 C ATOM 959 O ARG A 60 -11.697 -7.633 17.127 1.00 0.00 O ATOM 960 CB ARG A 60 -10.907 -10.525 18.635 1.00 0.00 C ATOM 961 CG ARG A 60 -12.274 -10.895 18.058 1.00 0.00 C ATOM 962 CD ARG A 60 -12.948 -11.930 18.961 1.00 0.00 C ATOM 963 NE ARG A 60 -11.984 -13.024 19.269 1.00 0.00 N ATOM 964 CZ ARG A 60 -12.228 -13.855 20.245 1.00 0.00 C ATOM 965 NH1 ARG A 60 -13.317 -13.728 20.952 1.00 0.00 N ATOM 966 NH2 ARG A 60 -11.383 -14.813 20.514 1.00 0.00 N ATOM 0 H ARG A 60 -8.645 -9.381 19.159 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.330 -9.726 16.718 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.266 -11.406 18.671 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.017 -10.168 19.659 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.899 -10.006 17.977 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.159 -11.296 17.051 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.286 -11.458 19.884 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.831 -12.337 18.469 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.133 -13.123 18.716 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.977 -12.979 20.742 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.508 -14.377 21.715 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.532 -14.912 19.961 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.574 -15.462 21.277 1.00 0.00 H new ATOM 980 N GLU A 61 -10.839 -7.522 19.138 1.00 0.00 N ATOM 981 CA GLU A 61 -11.541 -6.235 19.416 1.00 0.00 C ATOM 982 C GLU A 61 -11.195 -5.189 18.346 1.00 0.00 C ATOM 983 O GLU A 61 -12.068 -4.555 17.787 1.00 0.00 O ATOM 984 CB GLU A 61 -11.110 -5.714 20.793 1.00 0.00 C ATOM 985 CG GLU A 61 -11.827 -6.502 21.895 1.00 0.00 C ATOM 986 CD GLU A 61 -11.261 -6.101 23.258 1.00 0.00 C ATOM 987 OE1 GLU A 61 -10.837 -4.964 23.391 1.00 0.00 O ATOM 988 OE2 GLU A 61 -11.258 -6.938 24.147 1.00 0.00 O ATOM 0 H GLU A 61 -10.261 -7.874 19.901 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.617 -6.409 19.400 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.030 -5.812 20.907 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.345 -4.653 20.880 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.898 -6.303 21.861 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.696 -7.572 21.735 1.00 0.00 H new ATOM 995 N MET A 62 -9.934 -4.981 18.075 1.00 0.00 N ATOM 996 CA MET A 62 -9.552 -3.949 17.064 1.00 0.00 C ATOM 997 C MET A 62 -9.891 -4.421 15.644 1.00 0.00 C ATOM 998 O MET A 62 -9.713 -3.686 14.694 1.00 0.00 O ATOM 999 CB MET A 62 -8.044 -3.651 17.171 1.00 0.00 C ATOM 1000 CG MET A 62 -7.189 -4.870 16.722 1.00 0.00 C ATOM 1001 SD MET A 62 -6.176 -4.420 15.280 1.00 0.00 S ATOM 1002 CE MET A 62 -7.025 -5.427 14.037 1.00 0.00 C ATOM 0 H MET A 62 -9.155 -5.478 18.507 1.00 0.00 H new ATOM 0 HA MET A 62 -10.119 -3.040 17.267 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.798 -2.786 16.555 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.796 -3.390 18.200 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.547 -5.196 17.540 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.839 -5.709 16.473 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.316 -5.726 13.265 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.441 -6.316 14.511 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.830 -4.846 13.586 1.00 0.00 H new ATOM 1012 N GLU A 63 -10.369 -5.636 15.496 1.00 0.00 N ATOM 1013 CA GLU A 63 -10.715 -6.166 14.131 1.00 0.00 C ATOM 1014 C GLU A 63 -11.338 -5.059 13.273 1.00 0.00 C ATOM 1015 O GLU A 63 -11.258 -5.079 12.061 1.00 0.00 O ATOM 1016 CB GLU A 63 -11.715 -7.317 14.260 1.00 0.00 C ATOM 1017 CG GLU A 63 -13.021 -6.797 14.872 1.00 0.00 C ATOM 1018 CD GLU A 63 -13.860 -7.975 15.375 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -13.276 -8.933 15.853 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -15.073 -7.898 15.269 1.00 0.00 O ATOM 0 H GLU A 63 -10.536 -6.287 16.263 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.801 -6.521 13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.909 -7.755 13.281 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.298 -8.106 14.885 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.803 -6.116 15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.582 -6.230 14.129 1.00 0.00 H new ATOM 1027 N GLU A 64 -11.946 -4.089 13.895 1.00 0.00 N ATOM 1028 CA GLU A 64 -12.562 -2.976 13.123 1.00 0.00 C ATOM 1029 C GLU A 64 -11.501 -2.324 12.234 1.00 0.00 C ATOM 1030 O GLU A 64 -11.807 -1.709 11.232 1.00 0.00 O ATOM 1031 CB GLU A 64 -13.110 -1.933 14.098 1.00 0.00 C ATOM 1032 CG GLU A 64 -14.304 -2.516 14.855 1.00 0.00 C ATOM 1033 CD GLU A 64 -15.482 -2.692 13.895 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -15.670 -1.827 13.055 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -16.175 -3.689 14.014 1.00 0.00 O ATOM 0 H GLU A 64 -12.043 -4.019 14.908 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.370 -3.364 12.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.332 -1.633 14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.412 -1.037 13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.035 -3.476 15.296 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.585 -1.856 15.675 1.00 0.00 H new ATOM 1042 N GLU A 65 -10.253 -2.448 12.597 1.00 0.00 N ATOM 1043 CA GLU A 65 -9.169 -1.831 11.781 1.00 0.00 C ATOM 1044 C GLU A 65 -8.913 -2.680 10.533 1.00 0.00 C ATOM 1045 O GLU A 65 -8.809 -2.170 9.436 1.00 0.00 O ATOM 1046 CB GLU A 65 -7.889 -1.754 12.617 1.00 0.00 C ATOM 1047 CG GLU A 65 -6.810 -1.003 11.835 1.00 0.00 C ATOM 1048 CD GLU A 65 -5.571 -0.830 12.715 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -5.727 -0.399 13.846 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -4.486 -1.129 12.243 1.00 0.00 O ATOM 0 H GLU A 65 -9.937 -2.951 13.426 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.470 -0.829 11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.089 -1.246 13.560 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.542 -2.758 12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.553 -1.553 10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.185 -0.029 11.521 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.808 -3.972 10.690 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.558 -4.847 9.508 1.00 0.00 C ATOM 1059 C ARG A 66 -9.612 -4.549 8.435 1.00 0.00 C ATOM 1060 O ARG A 66 -9.302 -4.420 7.266 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.645 -6.331 9.943 1.00 0.00 C ATOM 1062 CG ARG A 66 -7.244 -6.892 10.221 1.00 0.00 C ATOM 1063 CD ARG A 66 -7.366 -8.322 10.749 1.00 0.00 C ATOM 1064 NE ARG A 66 -8.149 -8.319 12.016 1.00 0.00 N ATOM 1065 CZ ARG A 66 -8.640 -9.434 12.482 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -8.453 -10.551 11.835 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -9.322 -9.432 13.595 1.00 0.00 N ATOM 0 H ARG A 66 -8.884 -4.459 11.583 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.565 -4.654 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.262 -6.419 10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.130 -6.917 9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.647 -6.879 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.727 -6.266 10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.856 -8.954 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.375 -8.743 10.922 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.301 -7.445 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.922 -10.553 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.837 -11.422 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.471 -8.559 14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.706 -10.304 13.959 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.853 -4.445 8.820 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.920 -4.162 7.819 1.00 0.00 C ATOM 1083 C LEU A 67 -11.761 -2.734 7.289 1.00 0.00 C ATOM 1084 O LEU A 67 -12.147 -2.428 6.179 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.297 -4.312 8.477 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.523 -5.773 8.906 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.621 -5.831 9.971 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.954 -6.625 7.703 1.00 0.00 C ATOM 0 H LEU A 67 -11.175 -4.543 9.783 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.835 -4.868 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.368 -3.655 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.077 -4.005 7.780 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.589 -6.164 9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.780 -6.866 10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.319 -5.242 10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.547 -5.427 9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.110 -7.655 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.882 -6.229 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.177 -6.596 6.940 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.201 -1.857 8.078 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.027 -0.449 7.620 1.00 0.00 C ATOM 1102 C ARG A 68 -10.046 -0.411 6.437 1.00 0.00 C ATOM 1103 O ARG A 68 -10.252 0.300 5.474 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.494 0.405 8.791 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.004 1.850 8.679 1.00 0.00 C ATOM 1106 CD ARG A 68 -10.462 2.502 7.403 1.00 0.00 C ATOM 1107 NE ARG A 68 -10.496 3.984 7.556 1.00 0.00 N ATOM 1108 CZ ARG A 68 -9.827 4.741 6.730 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -9.130 4.202 5.767 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -9.856 6.039 6.868 1.00 0.00 N ATOM 0 H ARG A 68 -10.857 -2.054 9.018 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.985 -0.044 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.814 -0.027 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.404 0.397 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.094 1.859 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.690 2.423 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.442 2.167 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.060 2.200 6.544 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.042 4.407 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.108 3.188 5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.608 4.795 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.401 6.460 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.334 6.632 6.223 1.00 0.00 H new ATOM 1124 N MET A 69 -8.985 -1.177 6.494 1.00 0.00 N ATOM 1125 CA MET A 69 -8.006 -1.182 5.364 1.00 0.00 C ATOM 1126 C MET A 69 -8.468 -2.179 4.295 1.00 0.00 C ATOM 1127 O MET A 69 -8.531 -1.861 3.124 1.00 0.00 O ATOM 1128 CB MET A 69 -6.607 -1.574 5.875 1.00 0.00 C ATOM 1129 CG MET A 69 -6.325 -0.922 7.238 1.00 0.00 C ATOM 1130 SD MET A 69 -4.534 -0.765 7.461 1.00 0.00 S ATOM 1131 CE MET A 69 -4.540 -0.585 9.263 1.00 0.00 C ATOM 0 H MET A 69 -8.755 -1.797 7.271 1.00 0.00 H new ATOM 0 HA MET A 69 -7.953 -0.183 4.931 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.537 -2.658 5.963 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.851 -1.263 5.154 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.798 0.059 7.291 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.752 -1.525 8.039 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.636 -0.064 9.580 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.415 -0.012 9.568 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.572 -1.571 9.727 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.784 -3.382 4.682 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.234 -4.397 3.686 1.00 0.00 C ATOM 1143 C ARG A 70 -10.443 -3.880 2.894 1.00 0.00 C ATOM 1144 O ARG A 70 -10.509 -4.025 1.690 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.622 -5.683 4.420 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.907 -6.795 3.395 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.348 -8.098 4.104 1.00 0.00 C ATOM 1148 NE ARG A 70 -9.685 -9.275 3.454 1.00 0.00 N ATOM 1149 CZ ARG A 70 -9.669 -9.412 2.153 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.352 -8.601 1.394 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -9.000 -10.395 1.614 1.00 0.00 N ATOM 0 H ARG A 70 -8.751 -3.709 5.648 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.418 -4.592 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.818 -5.989 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.503 -5.510 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.686 -6.469 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.014 -6.984 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.083 -8.056 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.432 -8.204 4.051 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.238 -9.982 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.904 -7.853 1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.334 -8.715 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.493 -11.052 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.985 -10.506 0.600 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.408 -3.303 3.555 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.614 -2.812 2.834 1.00 0.00 C ATOM 1167 C GLU A 71 -12.314 -1.513 2.074 1.00 0.00 C ATOM 1168 O GLU A 71 -12.586 -1.400 0.896 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.726 -2.559 3.853 1.00 0.00 C ATOM 1170 CG GLU A 71 -15.061 -2.447 3.127 1.00 0.00 C ATOM 1171 CD GLU A 71 -16.168 -2.124 4.132 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -16.061 -1.107 4.796 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -17.105 -2.902 4.222 1.00 0.00 O ATOM 0 H GLU A 71 -11.413 -3.151 4.564 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.922 -3.566 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.761 -3.371 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.524 -1.643 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.008 -1.668 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.285 -3.381 2.612 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.771 -0.529 2.737 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.475 0.763 2.045 1.00 0.00 C ATOM 1182 C HIS A 72 -10.590 0.522 0.815 1.00 0.00 C ATOM 1183 O HIS A 72 -10.780 1.140 -0.213 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.768 1.719 3.012 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.723 3.096 2.409 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -11.592 4.102 2.799 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -9.917 3.647 1.446 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.291 5.198 2.077 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -10.277 4.976 1.237 1.00 0.00 N ATOM 0 H HIS A 72 -11.519 -0.561 3.725 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.415 1.208 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.295 1.745 3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.757 1.366 3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.123 3.129 0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.807 6.142 2.166 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.857 5.637 0.584 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.627 -0.354 0.896 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.755 -0.591 -0.294 1.00 0.00 C ATOM 1199 C VAL A 73 -9.542 -1.349 -1.372 1.00 0.00 C ATOM 1200 O VAL A 73 -9.618 -0.927 -2.508 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.527 -1.410 0.115 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.745 -1.820 -1.136 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.630 -0.563 1.021 1.00 0.00 C ATOM 0 H VAL A 73 -9.406 -0.910 1.722 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.430 0.370 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.848 -2.303 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.871 -2.403 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.383 -2.422 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.423 -0.928 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.755 -1.144 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.310 0.330 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.185 -0.270 1.912 1.00 0.00 H new ATOM 1213 N MET A 74 -10.121 -2.463 -1.025 1.00 0.00 N ATOM 1214 CA MET A 74 -10.895 -3.250 -2.028 1.00 0.00 C ATOM 1215 C MET A 74 -12.117 -2.454 -2.502 1.00 0.00 C ATOM 1216 O MET A 74 -12.729 -2.796 -3.490 1.00 0.00 O ATOM 1217 CB MET A 74 -11.350 -4.576 -1.398 1.00 0.00 C ATOM 1218 CG MET A 74 -10.207 -5.595 -1.451 1.00 0.00 C ATOM 1219 SD MET A 74 -10.011 -6.191 -3.153 1.00 0.00 S ATOM 1220 CE MET A 74 -9.764 -7.946 -2.777 1.00 0.00 C ATOM 0 H MET A 74 -10.093 -2.865 -0.088 1.00 0.00 H new ATOM 0 HA MET A 74 -10.257 -3.455 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.656 -4.412 -0.365 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.219 -4.963 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.280 -5.137 -1.105 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.418 -6.430 -0.783 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.622 -8.500 -3.705 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.883 -8.062 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A 74 -10.639 -8.333 -2.254 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.500 -1.416 -1.805 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.705 -0.636 -2.234 1.00 0.00 C ATOM 1232 C LYS A 75 -13.306 0.556 -3.118 1.00 0.00 C ATOM 1233 O LYS A 75 -14.001 0.892 -4.057 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.430 -0.114 -0.994 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.795 0.445 -1.396 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.552 0.894 -0.146 1.00 0.00 C ATOM 1237 CE LYS A 75 -17.825 1.618 -0.550 1.00 0.00 C ATOM 1238 NZ LYS A 75 -18.721 1.751 0.634 1.00 0.00 N ATOM 0 H LYS A 75 -12.036 -1.074 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.355 -1.294 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.554 -0.917 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.835 0.662 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.669 1.285 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.368 -0.314 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.794 0.031 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.924 1.551 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.584 2.603 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.332 1.068 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.592 2.247 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.961 0.806 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.236 2.293 1.377 1.00 0.00 H new ATOM 1252 N ASN A 76 -12.217 1.223 -2.811 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.808 2.422 -3.622 1.00 0.00 C ATOM 1254 C ASN A 76 -10.695 2.086 -4.627 1.00 0.00 C ATOM 1255 O ASN A 76 -10.584 2.740 -5.647 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.341 3.539 -2.678 1.00 0.00 C ATOM 1257 CG ASN A 76 -9.950 3.218 -2.123 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -9.534 1.983 -2.111 1.00 0.00 O flip ATOM 1259 ND2 ASN A 76 -9.235 4.103 -1.696 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.594 0.992 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.675 2.752 -4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.317 4.489 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.050 3.652 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.560 5.070 -1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.310 3.879 -1.329 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.875 1.092 -4.387 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.798 0.776 -5.389 1.00 0.00 C ATOM 1268 C VAL A 77 -9.331 -0.247 -6.395 1.00 0.00 C ATOM 1269 O VAL A 77 -9.026 -0.175 -7.563 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.533 0.237 -4.699 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.597 -0.384 -5.752 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.794 1.395 -4.014 1.00 0.00 C ATOM 0 H VAL A 77 -9.899 0.495 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.523 1.694 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.819 -0.515 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.701 -0.766 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.110 -1.202 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.316 0.375 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.897 1.015 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.513 2.139 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.446 1.854 -3.271 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.143 -1.178 -5.972 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.701 -2.167 -6.944 1.00 0.00 C ATOM 1284 C ASP A 78 -11.264 -1.407 -8.147 1.00 0.00 C ATOM 1285 O ASP A 78 -12.247 -0.701 -8.046 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.816 -2.969 -6.273 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.999 -2.049 -5.960 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.822 -1.138 -5.168 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -14.060 -2.268 -6.520 1.00 0.00 O ATOM 0 H ASP A 78 -10.443 -1.298 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.919 -2.852 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.137 -3.780 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.446 -3.426 -5.355 1.00 0.00 H new ATOM 1294 N THR A 79 -10.620 -1.504 -9.277 1.00 0.00 N ATOM 1295 CA THR A 79 -11.085 -0.746 -10.471 1.00 0.00 C ATOM 1296 C THR A 79 -12.141 -1.553 -11.236 1.00 0.00 C ATOM 1297 O THR A 79 -13.280 -1.143 -11.339 1.00 0.00 O ATOM 1298 CB THR A 79 -9.883 -0.414 -11.400 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.060 -1.061 -12.654 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.530 -0.861 -10.782 1.00 0.00 C ATOM 0 H THR A 79 -9.789 -2.077 -9.425 1.00 0.00 H new ATOM 0 HA THR A 79 -11.536 0.188 -10.136 1.00 0.00 H new ATOM 0 HB THR A 79 -9.853 0.668 -11.528 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.189 -0.388 -13.354 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.718 -0.610 -11.464 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.377 -0.349 -9.832 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.544 -1.938 -10.616 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.777 -2.686 -11.776 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.771 -3.515 -12.545 1.00 0.00 C ATOM 1310 C ASN A 80 -13.240 -4.683 -11.681 1.00 0.00 C ATOM 1311 O ASN A 80 -13.835 -5.628 -12.161 1.00 0.00 O ATOM 1312 CB ASN A 80 -12.134 -4.038 -13.835 1.00 0.00 C ATOM 1313 CG ASN A 80 -10.954 -4.952 -13.493 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -9.982 -4.497 -12.750 1.00 0.00 O flip ATOM 1315 ND2 ASN A 80 -10.917 -6.093 -13.908 1.00 0.00 N flip ATOM 0 H ASN A 80 -10.837 -3.079 -11.722 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.629 -2.895 -12.806 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -12.873 -4.585 -14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.794 -3.204 -14.449 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.676 -6.449 -14.489 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.127 -6.695 -13.676 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.006 -4.605 -10.404 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.462 -5.674 -9.478 1.00 0.00 C ATOM 1324 C GLN A 81 -13.199 -7.060 -10.066 1.00 0.00 C ATOM 1325 O GLN A 81 -14.107 -7.756 -10.478 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.964 -5.508 -9.211 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.196 -4.351 -8.227 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.924 -4.826 -6.797 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.291 -5.951 -6.603 1.00 0.00 O flip ATOM 1330 NE2 GLN A 81 -15.295 -4.168 -5.845 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.511 -3.834 -9.956 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.903 -5.585 -8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.489 -5.312 -10.146 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.374 -6.432 -8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.541 -3.515 -8.473 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.221 -3.989 -8.311 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.790 -3.289 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.112 -4.495 -4.896 1.00 0.00 H new ATOM 1339 N ASP A 82 -11.963 -7.473 -10.073 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.605 -8.834 -10.594 1.00 0.00 C ATOM 1341 C ASP A 82 -10.741 -9.520 -9.536 1.00 0.00 C ATOM 1342 O ASP A 82 -10.024 -10.463 -9.802 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.815 -8.698 -11.897 1.00 0.00 C ATOM 1344 CG ASP A 82 -10.577 -10.086 -12.497 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -11.377 -10.968 -12.233 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -9.600 -10.243 -13.209 1.00 0.00 O ATOM 0 H ASP A 82 -11.172 -6.923 -9.737 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.504 -9.417 -10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.363 -8.074 -12.603 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.862 -8.204 -11.707 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.803 -9.014 -8.336 1.00 0.00 N ATOM 1352 CA ARG A 83 -9.994 -9.565 -7.212 1.00 0.00 C ATOM 1353 C ARG A 83 -8.509 -9.412 -7.548 1.00 0.00 C ATOM 1354 O ARG A 83 -7.641 -9.706 -6.751 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.333 -11.040 -6.974 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.859 -11.229 -7.002 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.205 -12.674 -6.628 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.671 -12.889 -6.780 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.151 -14.103 -6.810 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -13.348 -15.125 -6.708 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.436 -14.293 -6.941 1.00 0.00 N ATOM 0 H ARG A 83 -11.394 -8.223 -8.081 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.224 -9.015 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.866 -11.659 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.934 -11.365 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.334 -10.539 -6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.246 -10.997 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.657 -13.367 -7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.901 -12.878 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.299 -12.089 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.344 -14.977 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.724 -16.073 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.064 -13.493 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.812 -15.241 -6.965 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.218 -8.944 -8.736 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.809 -8.748 -9.173 1.00 0.00 C ATOM 1377 C LEU A 84 -6.648 -7.292 -9.598 1.00 0.00 C ATOM 1378 O LEU A 84 -7.476 -6.746 -10.302 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.518 -9.648 -10.385 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.832 -11.132 -10.054 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.168 -11.888 -11.346 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.623 -11.815 -9.381 1.00 0.00 C ATOM 0 H LEU A 84 -8.916 -8.685 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.125 -8.997 -8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.117 -9.325 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.472 -9.548 -10.676 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.680 -11.155 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.388 -12.929 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.037 -11.431 -11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.318 -11.841 -12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.869 -12.854 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.765 -11.780 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.380 -11.294 -8.455 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.593 -6.657 -9.168 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.362 -5.222 -9.531 1.00 0.00 C ATOM 1396 C VAL A 85 -4.182 -5.135 -10.498 1.00 0.00 C ATOM 1397 O VAL A 85 -3.126 -5.670 -10.228 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.016 -4.440 -8.261 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.607 -3.016 -8.644 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.236 -4.399 -7.330 1.00 0.00 C ATOM 0 H VAL A 85 -4.873 -7.070 -8.576 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.257 -4.808 -9.996 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.191 -4.929 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.359 -2.454 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.737 -3.051 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.432 -2.527 -9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.986 -3.842 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.066 -3.911 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.523 -5.416 -7.061 1.00 0.00 H new ATOM 1410 N THR A 86 -4.335 -4.455 -11.611 1.00 0.00 N ATOM 1411 CA THR A 86 -3.192 -4.337 -12.575 1.00 0.00 C ATOM 1412 C THR A 86 -2.544 -2.961 -12.420 1.00 0.00 C ATOM 1413 O THR A 86 -3.131 -2.049 -11.879 1.00 0.00 O ATOM 1414 CB THR A 86 -3.693 -4.515 -14.003 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.619 -3.486 -14.319 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.368 -5.879 -14.140 1.00 0.00 C ATOM 0 H THR A 86 -5.193 -3.981 -11.892 1.00 0.00 H new ATOM 0 HA THR A 86 -2.457 -5.113 -12.362 1.00 0.00 H new ATOM 0 HB THR A 86 -2.850 -4.459 -14.692 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.937 -3.603 -15.238 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.727 -6.007 -15.161 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.650 -6.665 -13.906 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.210 -5.939 -13.450 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.343 -2.804 -12.902 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.655 -1.484 -12.794 1.00 0.00 C ATOM 1426 C LEU A 87 -1.443 -0.454 -13.599 1.00 0.00 C ATOM 1427 O LEU A 87 -1.549 0.699 -13.228 1.00 0.00 O ATOM 1428 CB LEU A 87 0.761 -1.615 -13.390 1.00 0.00 C ATOM 1429 CG LEU A 87 1.477 -0.229 -13.506 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.316 0.047 -12.255 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.391 -0.215 -14.740 1.00 0.00 C ATOM 0 H LEU A 87 -0.805 -3.535 -13.368 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.593 -1.173 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.357 -2.280 -12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.698 -2.075 -14.376 1.00 0.00 H new ATOM 0 HG LEU A 87 0.716 0.545 -13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.807 1.015 -12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.669 0.055 -11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.070 -0.732 -12.143 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.886 0.753 -14.815 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.141 -1.000 -14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.795 -0.388 -15.636 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.966 -0.856 -14.711 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.713 0.093 -15.575 1.00 0.00 C ATOM 1445 C GLU A 88 -3.887 0.715 -14.815 1.00 0.00 C ATOM 1446 O GLU A 88 -3.905 1.901 -14.535 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.251 -0.665 -16.790 1.00 0.00 C ATOM 1448 CG GLU A 88 -2.081 -1.246 -17.587 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.607 -1.905 -18.863 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -3.505 -1.344 -19.469 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -2.104 -2.960 -19.213 1.00 0.00 O ATOM 0 H GLU A 88 -1.910 -1.811 -15.066 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.039 0.891 -15.886 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.918 -1.464 -16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.837 0.004 -17.420 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.372 -0.457 -17.839 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.544 -1.977 -16.983 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.879 -0.067 -14.508 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.068 0.479 -13.802 1.00 0.00 C ATOM 1460 C GLU A 89 -5.677 1.040 -12.423 1.00 0.00 C ATOM 1461 O GLU A 89 -6.292 1.968 -11.932 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.121 -0.626 -13.646 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.283 -1.379 -14.970 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.610 -0.386 -16.086 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.762 0.003 -16.188 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.703 -0.031 -16.821 1.00 0.00 O ATOM 0 H GLU A 89 -4.919 -1.065 -14.716 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.483 1.296 -14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.822 -1.317 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.075 -0.192 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.367 -1.920 -15.207 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.078 -2.120 -14.884 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.674 0.493 -11.789 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.274 1.010 -10.445 1.00 0.00 C ATOM 1475 C PHE A 90 -3.779 2.456 -10.578 1.00 0.00 C ATOM 1476 O PHE A 90 -4.233 3.347 -9.884 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.164 0.115 -9.881 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.382 0.840 -8.806 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -2.889 0.929 -7.504 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.150 1.426 -9.119 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.163 1.604 -6.516 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.424 2.102 -8.133 1.00 0.00 C ATOM 1483 CZ PHE A 90 -0.930 2.191 -6.832 1.00 0.00 C ATOM 0 H PHE A 90 -4.116 -0.285 -12.140 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.128 0.996 -9.767 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.599 -0.795 -9.469 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.492 -0.188 -10.684 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.840 0.477 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.759 1.356 -10.123 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.552 1.673 -5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.526 2.555 -8.376 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.370 2.713 -6.070 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.863 2.697 -11.473 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.350 4.082 -11.661 1.00 0.00 C ATOM 1495 C LEU A 91 -3.531 5.043 -11.788 1.00 0.00 C ATOM 1496 O LEU A 91 -3.547 6.105 -11.200 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.505 4.132 -12.937 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.152 3.434 -12.689 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.580 3.271 -14.026 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.722 4.258 -11.712 1.00 0.00 C ATOM 0 H LEU A 91 -2.447 1.994 -12.083 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.738 4.372 -10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.034 3.642 -13.755 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.342 5.167 -13.237 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.335 2.457 -12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.538 2.778 -13.859 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.026 2.667 -14.701 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.749 4.252 -14.470 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.671 3.746 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.909 5.245 -12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.202 4.364 -10.760 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.523 4.676 -12.554 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.706 5.568 -12.723 1.00 0.00 C ATOM 1514 C ALA A 92 -6.241 5.997 -11.352 1.00 0.00 C ATOM 1515 O ALA A 92 -6.319 7.171 -11.050 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.800 4.819 -13.484 1.00 0.00 C ATOM 0 H ALA A 92 -4.565 3.797 -13.070 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.408 6.455 -13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.666 5.469 -13.609 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.424 4.523 -14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.091 3.931 -12.923 1.00 0.00 H new ATOM 1522 N SER A 93 -6.622 5.058 -10.523 1.00 0.00 N ATOM 1523 CA SER A 93 -7.162 5.418 -9.179 1.00 0.00 C ATOM 1524 C SER A 93 -6.275 6.480 -8.527 1.00 0.00 C ATOM 1525 O SER A 93 -6.741 7.301 -7.761 1.00 0.00 O ATOM 1526 CB SER A 93 -7.200 4.172 -8.293 1.00 0.00 C ATOM 1527 OG SER A 93 -7.672 4.530 -7.002 1.00 0.00 O ATOM 0 H SER A 93 -6.582 4.058 -10.720 1.00 0.00 H new ATOM 0 HA SER A 93 -8.170 5.816 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.851 3.417 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.205 3.732 -8.220 1.00 0.00 H new ATOM 0 HG SER A 93 -7.699 3.734 -6.431 1.00 0.00 H new ATOM 1533 N THR A 94 -5.003 6.482 -8.832 1.00 0.00 N ATOM 1534 CA THR A 94 -4.088 7.507 -8.237 1.00 0.00 C ATOM 1535 C THR A 94 -3.939 8.668 -9.222 1.00 0.00 C ATOM 1536 O THR A 94 -4.239 9.801 -8.905 1.00 0.00 O ATOM 1537 CB THR A 94 -2.717 6.884 -7.963 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.059 6.629 -9.196 1.00 0.00 O ATOM 1539 CG2 THR A 94 -2.894 5.572 -7.197 1.00 0.00 C ATOM 0 H THR A 94 -4.557 5.820 -9.467 1.00 0.00 H new ATOM 0 HA THR A 94 -4.504 7.870 -7.297 1.00 0.00 H new ATOM 0 HB THR A 94 -2.118 7.572 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.638 6.085 -9.770 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.917 5.130 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.398 5.768 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.493 4.882 -7.791 1.00 0.00 H new ATOM 1547 N GLN A 95 -3.473 8.391 -10.413 1.00 0.00 N ATOM 1548 CA GLN A 95 -3.297 9.468 -11.431 1.00 0.00 C ATOM 1549 C GLN A 95 -4.498 10.434 -11.407 1.00 0.00 C ATOM 1550 O GLN A 95 -4.330 11.637 -11.374 1.00 0.00 O ATOM 1551 CB GLN A 95 -3.165 8.814 -12.821 1.00 0.00 C ATOM 1552 CG GLN A 95 -2.232 9.641 -13.705 1.00 0.00 C ATOM 1553 CD GLN A 95 -2.296 9.123 -15.144 1.00 0.00 C ATOM 1554 OE1 GLN A 95 -2.803 7.944 -15.378 1.00 0.00 O flip ATOM 1555 NE2 GLN A 95 -1.881 9.799 -16.064 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.205 7.458 -10.725 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.399 10.043 -11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.778 7.800 -12.719 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.146 8.735 -13.289 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.520 10.692 -13.673 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.210 9.579 -13.331 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.485 10.721 -15.881 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.929 9.445 -17.019 1.00 0.00 H new ATOM 1564 N ARG A 96 -5.704 9.925 -11.424 1.00 0.00 N ATOM 1565 CA ARG A 96 -6.894 10.823 -11.405 1.00 0.00 C ATOM 1566 C ARG A 96 -6.820 11.746 -10.184 1.00 0.00 C ATOM 1567 O ARG A 96 -7.343 11.437 -9.131 1.00 0.00 O ATOM 1568 CB ARG A 96 -8.171 9.970 -11.329 1.00 0.00 C ATOM 1569 CG ARG A 96 -8.498 9.365 -12.713 1.00 0.00 C ATOM 1570 CD ARG A 96 -9.444 10.294 -13.491 1.00 0.00 C ATOM 1571 NE ARG A 96 -9.156 11.713 -13.145 1.00 0.00 N ATOM 1572 CZ ARG A 96 -9.610 12.673 -13.904 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -10.313 12.388 -14.966 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -9.361 13.917 -13.601 1.00 0.00 N ATOM 0 H ARG A 96 -5.914 8.927 -11.450 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.911 11.427 -12.312 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.040 9.172 -10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.005 10.582 -10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.578 9.215 -13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.960 8.385 -12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.320 10.139 -14.563 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.480 10.055 -13.252 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.605 11.935 -12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.508 11.415 -15.203 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.668 13.138 -15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.812 14.140 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.716 14.667 -14.194 1.00 0.00 H new ATOM 1588 N LYS A 97 -6.174 12.874 -10.315 1.00 0.00 N ATOM 1589 CA LYS A 97 -6.063 13.816 -9.171 1.00 0.00 C ATOM 1590 C LYS A 97 -7.428 13.974 -8.493 1.00 0.00 C ATOM 1591 O LYS A 97 -8.357 14.506 -9.069 1.00 0.00 O ATOM 1592 CB LYS A 97 -5.588 15.179 -9.680 1.00 0.00 C ATOM 1593 CG LYS A 97 -5.351 16.117 -8.494 1.00 0.00 C ATOM 1594 CD LYS A 97 -4.808 17.454 -9.000 1.00 0.00 C ATOM 1595 CE LYS A 97 -4.569 18.391 -7.814 1.00 0.00 C ATOM 1596 NZ LYS A 97 -4.089 19.711 -8.312 1.00 0.00 N ATOM 0 H LYS A 97 -5.716 13.182 -11.173 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.347 13.423 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.669 15.064 -10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.332 15.607 -10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.282 16.274 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.645 15.667 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.878 17.297 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.515 17.905 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.490 18.518 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.834 17.957 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.927 20.348 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.200 19.582 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.805 20.126 -8.942 1.00 0.00 H new ATOM 1610 N GLU A 98 -7.560 13.515 -7.279 1.00 0.00 N ATOM 1611 CA GLU A 98 -8.867 13.639 -6.573 1.00 0.00 C ATOM 1612 C GLU A 98 -9.264 15.113 -6.488 1.00 0.00 C ATOM 1613 O GLU A 98 -8.892 15.815 -5.568 1.00 0.00 O ATOM 1614 CB GLU A 98 -8.737 13.060 -5.161 1.00 0.00 C ATOM 1615 CG GLU A 98 -10.085 13.143 -4.440 1.00 0.00 C ATOM 1616 CD GLU A 98 -9.972 12.472 -3.069 1.00 0.00 C ATOM 1617 OE1 GLU A 98 -9.266 11.483 -2.973 1.00 0.00 O ATOM 1618 OE2 GLU A 98 -10.593 12.961 -2.140 1.00 0.00 O ATOM 0 H GLU A 98 -6.820 13.060 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.632 13.091 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.405 12.023 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.980 13.609 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.384 14.185 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.858 12.654 -5.033 1.00 0.00 H new ATOM 1625 N PHE A 99 -10.022 15.587 -7.439 1.00 0.00 N ATOM 1626 CA PHE A 99 -10.446 17.017 -7.411 1.00 0.00 C ATOM 1627 C PHE A 99 -11.630 17.178 -6.454 1.00 0.00 C ATOM 1628 O PHE A 99 -11.428 17.717 -5.379 1.00 0.00 O ATOM 1629 CB PHE A 99 -10.865 17.466 -8.815 1.00 0.00 C ATOM 1630 CG PHE A 99 -11.218 18.937 -8.788 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -10.219 19.903 -8.967 1.00 0.00 C ATOM 1632 CD2 PHE A 99 -12.547 19.336 -8.585 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -10.546 21.263 -8.942 1.00 0.00 C ATOM 1634 CE2 PHE A 99 -12.873 20.698 -8.560 1.00 0.00 C ATOM 1635 CZ PHE A 99 -11.873 21.660 -8.739 1.00 0.00 C ATOM 1636 OXT PHE A 99 -12.718 16.758 -6.814 1.00 0.00 O ATOM 0 H PHE A 99 -10.366 15.047 -8.233 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.611 17.630 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -10.055 17.288 -9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -11.720 16.882 -9.156 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.195 19.597 -9.124 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -13.319 18.593 -8.448 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.775 22.007 -9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -13.896 21.006 -8.403 1.00 0.00 H new ATOM 0 HZ PHE A 99 -12.125 22.710 -8.721 1.00 0.00 H new TER 1646 PHE A 99