USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.1!) USER MOD Single : A 32 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.8!) USER MOD Single : A 44 ASN : amide:sc= 0.394 K(o=0.39,f=-0.84) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.5) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.07 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -4.49! C(o=-4.5!,f=-12!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -7.65! C(o=-7.7!,f=-12!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 94:sc= 0.94 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -57:sc= 1.18 USER MOD Single : A 85 MET CE :methyl 171:sc= 0 (180deg=-0.101) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -112:sc= -0.441 (180deg=-1.92!) USER MOD Single : A 94 ASN : amide:sc= -0.699 K(o=-0.7,f=-3.8!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.394 F(o=-1.3,f=-0.39) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -1.87 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -130:sc= -0.0186 USER MOD Single : A 119 LYS NZ :NH3+ 156:sc= -0.232 (180deg=-1.14) USER MOD Single : A 121 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.072) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.993 0.325 9.823 1.00 0.00 N ATOM 2 CA ALA A 2 -12.864 1.287 9.681 1.00 0.00 C ATOM 3 C ALA A 2 -13.377 2.581 9.042 1.00 0.00 C ATOM 4 O ALA A 2 -14.397 2.595 8.382 1.00 0.00 O ATOM 5 CB ALA A 2 -11.775 0.669 8.798 1.00 0.00 C ATOM 0 HA ALA A 2 -12.447 1.510 10.663 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.949 1.372 8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.413 -0.251 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.188 0.445 7.814 1.00 0.00 H new ATOM 11 N ASP A 3 -12.679 3.667 9.236 1.00 0.00 N ATOM 12 CA ASP A 3 -13.127 4.963 8.647 1.00 0.00 C ATOM 13 C ASP A 3 -13.531 4.755 7.186 1.00 0.00 C ATOM 14 O ASP A 3 -12.926 3.985 6.470 1.00 0.00 O ATOM 15 CB ASP A 3 -11.980 5.975 8.716 1.00 0.00 C ATOM 16 CG ASP A 3 -12.551 7.382 8.900 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.605 7.649 8.348 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.925 8.169 9.591 1.00 0.00 O ATOM 0 H ASP A 3 -11.816 3.713 9.778 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.983 5.337 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.314 5.730 9.544 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.385 5.929 7.804 1.00 0.00 H new ATOM 23 N LYS A 4 -14.547 5.441 6.735 1.00 0.00 N ATOM 24 CA LYS A 4 -14.978 5.284 5.317 1.00 0.00 C ATOM 25 C LYS A 4 -14.231 6.297 4.452 1.00 0.00 C ATOM 26 O LYS A 4 -14.685 6.675 3.391 1.00 0.00 O ATOM 27 CB LYS A 4 -16.481 5.540 5.197 1.00 0.00 C ATOM 28 CG LYS A 4 -17.238 4.692 6.224 1.00 0.00 C ATOM 29 CD LYS A 4 -18.259 3.801 5.511 1.00 0.00 C ATOM 30 CE LYS A 4 -19.340 4.671 4.863 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.636 4.454 5.565 1.00 0.00 N ATOM 0 H LYS A 4 -15.095 6.101 7.286 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.756 4.270 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.693 6.597 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.821 5.297 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.537 4.077 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.744 5.339 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.762 3.197 4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.712 3.110 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.057 5.722 4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.439 4.420 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.371 5.044 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.907 3.452 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.536 4.714 6.567 1.00 0.00 H new ATOM 45 N GLU A 5 -13.093 6.746 4.900 1.00 0.00 N ATOM 46 CA GLU A 5 -12.320 7.740 4.105 1.00 0.00 C ATOM 47 C GLU A 5 -10.853 7.696 4.532 1.00 0.00 C ATOM 48 O GLU A 5 -10.212 8.716 4.694 1.00 0.00 O ATOM 49 CB GLU A 5 -12.886 9.140 4.357 1.00 0.00 C ATOM 50 CG GLU A 5 -12.445 10.082 3.235 1.00 0.00 C ATOM 51 CD GLU A 5 -13.074 11.460 3.449 1.00 0.00 C ATOM 52 OE1 GLU A 5 -12.474 12.260 4.147 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.145 11.690 2.911 1.00 0.00 O ATOM 0 H GLU A 5 -12.664 6.468 5.783 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.397 7.503 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.974 9.100 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.538 9.516 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.358 10.165 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.746 9.679 2.268 1.00 0.00 H new ATOM 60 N LEU A 6 -10.314 6.522 4.715 1.00 0.00 N ATOM 61 CA LEU A 6 -8.893 6.413 5.128 1.00 0.00 C ATOM 62 C LEU A 6 -8.011 6.898 3.974 1.00 0.00 C ATOM 63 O LEU A 6 -8.328 6.700 2.821 1.00 0.00 O ATOM 64 CB LEU A 6 -8.605 4.951 5.484 1.00 0.00 C ATOM 65 CG LEU A 6 -7.163 4.761 5.971 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.901 5.638 7.191 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.966 3.302 6.362 1.00 0.00 C ATOM 0 H LEU A 6 -10.800 5.633 4.595 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.681 7.029 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.297 4.622 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.781 4.322 4.611 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.474 5.040 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.874 5.495 7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.054 6.684 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.587 5.362 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.944 3.153 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.662 3.042 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.151 2.665 5.497 1.00 0.00 H new ATOM 79 N LYS A 7 -6.929 7.564 4.271 1.00 0.00 N ATOM 80 CA LYS A 7 -6.057 8.094 3.179 1.00 0.00 C ATOM 81 C LYS A 7 -5.161 6.990 2.614 1.00 0.00 C ATOM 82 O LYS A 7 -4.359 6.404 3.322 1.00 0.00 O ATOM 83 CB LYS A 7 -5.184 9.222 3.733 1.00 0.00 C ATOM 84 CG LYS A 7 -5.874 10.566 3.492 1.00 0.00 C ATOM 85 CD LYS A 7 -5.312 11.612 4.458 1.00 0.00 C ATOM 86 CE LYS A 7 -6.029 12.946 4.240 1.00 0.00 C ATOM 87 NZ LYS A 7 -7.147 13.075 5.217 1.00 0.00 N ATOM 0 H LYS A 7 -6.610 7.765 5.219 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.692 8.470 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.014 9.074 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.207 9.211 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.718 10.887 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.950 10.465 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.445 11.280 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.241 11.732 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.328 13.772 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.414 13.002 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.634 13.982 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.820 12.294 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.768 13.040 6.185 1.00 0.00 H new ATOM 101 N PHE A 8 -5.283 6.714 1.335 1.00 0.00 N ATOM 102 CA PHE A 8 -4.441 5.668 0.701 1.00 0.00 C ATOM 103 C PHE A 8 -3.419 6.321 -0.220 1.00 0.00 C ATOM 104 O PHE A 8 -3.646 7.382 -0.757 1.00 0.00 O ATOM 105 CB PHE A 8 -5.310 4.754 -0.163 1.00 0.00 C ATOM 106 CG PHE A 8 -6.202 3.909 0.702 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.379 4.452 1.210 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.853 2.589 0.998 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.212 3.679 2.017 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.687 1.810 1.812 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.869 2.359 2.322 1.00 0.00 C ATOM 0 H PHE A 8 -5.938 7.177 0.705 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.948 5.100 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.915 5.353 -0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.677 4.114 -0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.647 5.472 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.941 2.169 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.126 4.102 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.418 0.790 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.515 1.764 2.950 1.00 0.00 H new ATOM 121 N LEU A 9 -2.305 5.681 -0.422 1.00 0.00 N ATOM 122 CA LEU A 9 -1.274 6.241 -1.340 1.00 0.00 C ATOM 123 C LEU A 9 -0.842 5.148 -2.321 1.00 0.00 C ATOM 124 O LEU A 9 -0.207 4.188 -1.951 1.00 0.00 O ATOM 125 CB LEU A 9 -0.082 6.731 -0.521 1.00 0.00 C ATOM 126 CG LEU A 9 1.140 6.929 -1.413 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.764 7.801 -2.605 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.221 7.634 -0.608 1.00 0.00 C ATOM 0 H LEU A 9 -2.061 4.790 0.010 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.680 7.083 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.334 7.670 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.147 6.010 0.264 1.00 0.00 H new ATOM 0 HG LEU A 9 1.499 5.963 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.637 7.942 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.027 7.315 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.413 8.770 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.102 7.783 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.850 8.601 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.488 7.024 0.255 1.00 0.00 H new ATOM 140 N VAL A 10 -1.189 5.287 -3.572 1.00 0.00 N ATOM 141 CA VAL A 10 -0.808 4.253 -4.574 1.00 0.00 C ATOM 142 C VAL A 10 0.436 4.714 -5.346 1.00 0.00 C ATOM 143 O VAL A 10 0.364 5.567 -6.206 1.00 0.00 O ATOM 144 CB VAL A 10 -1.976 4.050 -5.543 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.986 3.079 -4.927 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.664 5.392 -5.807 1.00 0.00 C ATOM 0 H VAL A 10 -1.721 6.074 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.581 3.314 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.599 3.643 -6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.818 2.934 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.501 2.122 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.359 3.489 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.495 5.245 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.039 5.799 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.948 6.088 -6.244 1.00 0.00 H new ATOM 156 N VAL A 11 1.579 4.159 -5.045 1.00 0.00 N ATOM 157 CA VAL A 11 2.813 4.572 -5.756 1.00 0.00 C ATOM 158 C VAL A 11 3.007 3.700 -7.001 1.00 0.00 C ATOM 159 O VAL A 11 3.465 2.577 -6.919 1.00 0.00 O ATOM 160 CB VAL A 11 4.025 4.416 -4.830 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.302 4.768 -5.596 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.880 5.355 -3.631 1.00 0.00 C ATOM 0 H VAL A 11 1.707 3.437 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 11 2.720 5.616 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 11 4.080 3.385 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.164 4.657 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.410 4.100 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.244 5.798 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.743 5.242 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.822 6.386 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.971 5.107 -3.082 1.00 0.00 H new ATOM 172 N ASP A 12 2.659 4.213 -8.153 1.00 0.00 N ATOM 173 CA ASP A 12 2.818 3.422 -9.409 1.00 0.00 C ATOM 174 C ASP A 12 3.261 4.355 -10.540 1.00 0.00 C ATOM 175 O ASP A 12 3.714 5.458 -10.304 1.00 0.00 O ATOM 176 CB ASP A 12 1.480 2.773 -9.774 1.00 0.00 C ATOM 177 CG ASP A 12 0.469 3.018 -8.651 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.713 2.554 -7.550 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.532 3.664 -8.913 1.00 0.00 O ATOM 0 H ASP A 12 2.271 5.148 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 12 3.568 2.645 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.106 3.187 -10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.614 1.703 -9.930 1.00 0.00 H new ATOM 184 N ASP A 13 3.138 3.926 -11.768 1.00 0.00 N ATOM 185 CA ASP A 13 3.558 4.797 -12.903 1.00 0.00 C ATOM 186 C ASP A 13 2.763 4.437 -14.161 1.00 0.00 C ATOM 187 O ASP A 13 2.963 5.006 -15.215 1.00 0.00 O ATOM 188 CB ASP A 13 5.052 4.600 -13.170 1.00 0.00 C ATOM 189 CG ASP A 13 5.237 3.606 -14.319 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.099 2.418 -14.076 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.514 4.050 -15.421 1.00 0.00 O ATOM 0 H ASP A 13 2.766 3.014 -12.033 1.00 0.00 H new ATOM 0 HA ASP A 13 3.365 5.838 -12.645 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.516 5.554 -13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.547 4.231 -12.272 1.00 0.00 H new ATOM 196 N PHE A 14 1.860 3.497 -14.063 1.00 0.00 N ATOM 197 CA PHE A 14 1.059 3.112 -15.261 1.00 0.00 C ATOM 198 C PHE A 14 -0.079 4.118 -15.456 1.00 0.00 C ATOM 199 O PHE A 14 -0.535 4.741 -14.518 1.00 0.00 O ATOM 200 CB PHE A 14 0.478 1.711 -15.063 1.00 0.00 C ATOM 201 CG PHE A 14 0.860 0.840 -16.236 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.174 0.961 -17.451 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.903 -0.086 -16.112 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.529 0.155 -18.539 1.00 0.00 C ATOM 205 CE2 PHE A 14 2.258 -0.892 -17.200 1.00 0.00 C ATOM 206 CZ PHE A 14 1.571 -0.771 -18.415 1.00 0.00 C ATOM 0 H PHE A 14 1.644 2.982 -13.210 1.00 0.00 H new ATOM 0 HA PHE A 14 1.700 3.113 -16.142 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.853 1.277 -14.136 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.607 1.764 -14.973 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.629 1.676 -17.549 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.434 -0.178 -15.176 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.002 0.248 -19.475 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.061 -1.607 -17.103 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.845 -1.392 -19.255 1.00 0.00 H new ATOM 216 N SER A 15 -0.537 4.284 -16.667 1.00 0.00 N ATOM 217 CA SER A 15 -1.640 5.254 -16.922 1.00 0.00 C ATOM 218 C SER A 15 -2.987 4.528 -16.876 1.00 0.00 C ATOM 219 O SER A 15 -3.864 4.781 -17.677 1.00 0.00 O ATOM 220 CB SER A 15 -1.452 5.887 -18.302 1.00 0.00 C ATOM 221 OG SER A 15 -1.497 4.871 -19.295 1.00 0.00 O ATOM 0 H SER A 15 -0.195 3.790 -17.491 1.00 0.00 H new ATOM 0 HA SER A 15 -1.621 6.030 -16.157 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.232 6.626 -18.485 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.498 6.413 -18.347 1.00 0.00 H new ATOM 0 HG SER A 15 -1.379 5.274 -20.181 1.00 0.00 H new ATOM 227 N THR A 16 -3.159 3.631 -15.945 1.00 0.00 N ATOM 228 CA THR A 16 -4.451 2.896 -15.852 1.00 0.00 C ATOM 229 C THR A 16 -4.451 2.021 -14.596 1.00 0.00 C ATOM 230 O THR A 16 -5.489 1.642 -14.091 1.00 0.00 O ATOM 231 CB THR A 16 -4.627 2.013 -17.091 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.741 1.151 -16.903 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.365 1.178 -17.309 1.00 0.00 C ATOM 0 H THR A 16 -2.462 3.376 -15.246 1.00 0.00 H new ATOM 0 HA THR A 16 -5.272 3.610 -15.796 1.00 0.00 H new ATOM 0 HB THR A 16 -4.798 2.643 -17.964 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.855 0.587 -17.696 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.492 0.550 -18.191 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.511 1.840 -17.455 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.191 0.548 -16.437 1.00 0.00 H new ATOM 241 N MET A 17 -3.294 1.695 -14.089 1.00 0.00 N ATOM 242 CA MET A 17 -3.227 0.845 -12.868 1.00 0.00 C ATOM 243 C MET A 17 -3.896 1.572 -11.699 1.00 0.00 C ATOM 244 O MET A 17 -4.680 1.003 -10.968 1.00 0.00 O ATOM 245 CB MET A 17 -1.763 0.565 -12.521 1.00 0.00 C ATOM 246 CG MET A 17 -1.679 -0.071 -11.133 1.00 0.00 C ATOM 247 SD MET A 17 -0.096 -0.931 -10.958 1.00 0.00 S ATOM 248 CE MET A 17 -0.656 -2.198 -9.792 1.00 0.00 C ATOM 0 H MET A 17 -2.391 1.981 -14.468 1.00 0.00 H new ATOM 0 HA MET A 17 -3.745 -0.096 -13.054 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.323 -0.100 -13.264 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.190 1.492 -12.543 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.776 0.695 -10.364 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.503 -0.771 -10.991 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.177 -2.855 -9.540 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.028 -1.720 -8.886 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.455 -2.784 -10.247 1.00 0.00 H new ATOM 258 N ARG A 18 -3.588 2.824 -11.513 1.00 0.00 N ATOM 259 CA ARG A 18 -4.207 3.582 -10.387 1.00 0.00 C ATOM 260 C ARG A 18 -5.728 3.514 -10.488 1.00 0.00 C ATOM 261 O ARG A 18 -6.416 3.303 -9.511 1.00 0.00 O ATOM 262 CB ARG A 18 -3.788 5.052 -10.450 1.00 0.00 C ATOM 263 CG ARG A 18 -2.692 5.244 -11.502 1.00 0.00 C ATOM 264 CD ARG A 18 -2.242 6.708 -11.519 1.00 0.00 C ATOM 265 NE ARG A 18 -3.111 7.482 -12.450 1.00 0.00 N ATOM 266 CZ ARG A 18 -2.604 8.003 -13.535 1.00 0.00 C ATOM 267 NH1 ARG A 18 -1.626 7.399 -14.153 1.00 0.00 N ATOM 268 NH2 ARG A 18 -3.074 9.127 -13.999 1.00 0.00 N ATOM 0 H ARG A 18 -2.936 3.356 -12.089 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.872 3.138 -9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.650 5.673 -10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.427 5.377 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.844 4.596 -11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.064 4.957 -12.485 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.299 7.129 -10.515 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.201 6.776 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.102 7.605 -12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.258 6.520 -13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.230 7.806 -15.000 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.837 9.599 -13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.678 9.534 -14.846 1.00 0.00 H new ATOM 282 N ARG A 19 -6.258 3.722 -11.658 1.00 0.00 N ATOM 283 CA ARG A 19 -7.736 3.704 -11.817 1.00 0.00 C ATOM 284 C ARG A 19 -8.320 2.384 -11.303 1.00 0.00 C ATOM 285 O ARG A 19 -9.415 2.345 -10.779 1.00 0.00 O ATOM 286 CB ARG A 19 -8.092 3.877 -13.294 1.00 0.00 C ATOM 287 CG ARG A 19 -9.258 4.859 -13.428 1.00 0.00 C ATOM 288 CD ARG A 19 -9.735 4.893 -14.881 1.00 0.00 C ATOM 289 NE ARG A 19 -9.689 6.294 -15.386 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.013 6.574 -16.467 1.00 0.00 C ATOM 291 NH1 ARG A 19 -7.836 6.044 -16.657 1.00 0.00 N ATOM 292 NH2 ARG A 19 -9.513 7.386 -17.358 1.00 0.00 N ATOM 0 H ARG A 19 -5.731 3.904 -12.512 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.159 4.523 -11.235 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.228 4.245 -13.846 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.362 2.915 -13.729 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.076 4.560 -12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.946 5.855 -13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.104 4.252 -15.497 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.750 4.503 -14.951 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.185 7.033 -14.888 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.444 5.410 -15.961 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.308 6.263 -17.502 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.432 7.802 -17.210 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.984 7.605 -18.203 1.00 0.00 H new ATOM 306 N ILE A 20 -7.611 1.302 -11.459 1.00 0.00 N ATOM 307 CA ILE A 20 -8.146 -0.010 -10.991 1.00 0.00 C ATOM 308 C ILE A 20 -8.319 0.003 -9.467 1.00 0.00 C ATOM 309 O ILE A 20 -9.345 -0.390 -8.951 1.00 0.00 O ATOM 310 CB ILE A 20 -7.179 -1.129 -11.390 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.478 -1.571 -12.825 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.347 -2.324 -10.447 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.250 -2.273 -13.409 1.00 0.00 C ATOM 0 H ILE A 20 -6.687 1.267 -11.889 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.117 -0.184 -11.455 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.156 -0.759 -11.323 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.335 -2.244 -12.838 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.741 -0.707 -13.436 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.656 -3.116 -10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.134 -2.013 -9.424 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.370 -2.695 -10.508 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.462 -2.588 -14.431 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.404 -1.586 -13.410 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.008 -3.146 -12.803 1.00 0.00 H new ATOM 325 N VAL A 21 -7.321 0.431 -8.743 1.00 0.00 N ATOM 326 CA VAL A 21 -7.435 0.440 -7.254 1.00 0.00 C ATOM 327 C VAL A 21 -8.271 1.636 -6.785 1.00 0.00 C ATOM 328 O VAL A 21 -9.028 1.537 -5.840 1.00 0.00 O ATOM 329 CB VAL A 21 -6.041 0.514 -6.632 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.739 -0.803 -5.920 1.00 0.00 C ATOM 331 CG2 VAL A 21 -4.999 0.746 -7.729 1.00 0.00 C ATOM 0 H VAL A 21 -6.435 0.774 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.929 -0.478 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.004 1.337 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.745 -0.756 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.480 -0.972 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.776 -1.622 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.006 0.798 -7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.033 -0.077 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.215 1.682 -8.244 1.00 0.00 H new ATOM 341 N ARG A 22 -8.146 2.762 -7.430 1.00 0.00 N ATOM 342 CA ARG A 22 -8.939 3.954 -7.009 1.00 0.00 C ATOM 343 C ARG A 22 -10.411 3.568 -6.885 1.00 0.00 C ATOM 344 O ARG A 22 -11.043 3.788 -5.871 1.00 0.00 O ATOM 345 CB ARG A 22 -8.800 5.046 -8.066 1.00 0.00 C ATOM 346 CG ARG A 22 -7.900 6.168 -7.544 1.00 0.00 C ATOM 347 CD ARG A 22 -7.462 7.054 -8.712 1.00 0.00 C ATOM 348 NE ARG A 22 -8.581 7.179 -9.687 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.298 8.270 -9.721 1.00 0.00 C ATOM 350 NH1 ARG A 22 -9.403 9.014 -8.655 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.908 8.615 -10.821 1.00 0.00 N ATOM 0 H ARG A 22 -7.530 2.910 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.572 4.315 -6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.380 4.627 -8.980 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.782 5.445 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.434 6.762 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.027 5.747 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.172 8.039 -8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.587 6.625 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.787 6.413 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.925 8.744 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.963 9.866 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.825 8.033 -11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.468 9.467 -10.848 1.00 0.00 H new ATOM 365 N ASN A 23 -10.956 2.992 -7.917 1.00 0.00 N ATOM 366 CA ASN A 23 -12.373 2.578 -7.898 1.00 0.00 C ATOM 367 C ASN A 23 -12.564 1.472 -6.873 1.00 0.00 C ATOM 368 O ASN A 23 -13.368 1.573 -5.968 1.00 0.00 O ATOM 369 CB ASN A 23 -12.689 2.023 -9.272 1.00 0.00 C ATOM 370 CG ASN A 23 -14.008 2.602 -9.786 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.066 2.070 -9.514 1.00 0.00 O ATOM 372 ND2 ASN A 23 -13.990 3.679 -10.523 1.00 0.00 N ATOM 0 H ASN A 23 -10.464 2.789 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.019 3.418 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.883 2.266 -9.964 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.754 0.936 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.864 4.074 -10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.102 4.126 -10.751 1.00 0.00 H new ATOM 379 N LEU A 24 -11.821 0.415 -7.035 1.00 0.00 N ATOM 380 CA LEU A 24 -11.911 -0.749 -6.106 1.00 0.00 C ATOM 381 C LEU A 24 -12.119 -0.256 -4.667 1.00 0.00 C ATOM 382 O LEU A 24 -13.087 -0.598 -4.020 1.00 0.00 O ATOM 383 CB LEU A 24 -10.600 -1.532 -6.200 1.00 0.00 C ATOM 384 CG LEU A 24 -10.743 -2.919 -5.537 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.524 -4.016 -6.585 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.712 -3.108 -4.413 1.00 0.00 C ATOM 0 H LEU A 24 -11.141 0.305 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.754 -1.384 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.316 -1.651 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.801 -0.972 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.746 -2.985 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.625 -4.994 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.266 -3.916 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.525 -3.919 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.838 -4.094 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.706 -3.022 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.860 -2.342 -3.651 1.00 0.00 H new ATOM 398 N LEU A 25 -11.223 0.554 -4.167 1.00 0.00 N ATOM 399 CA LEU A 25 -11.383 1.075 -2.777 1.00 0.00 C ATOM 400 C LEU A 25 -12.739 1.769 -2.653 1.00 0.00 C ATOM 401 O LEU A 25 -13.513 1.481 -1.761 1.00 0.00 O ATOM 402 CB LEU A 25 -10.265 2.078 -2.475 1.00 0.00 C ATOM 403 CG LEU A 25 -9.064 1.346 -1.872 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.782 2.115 -2.199 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.230 1.260 -0.352 1.00 0.00 C ATOM 0 H LEU A 25 -10.390 0.877 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.328 0.249 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.968 2.592 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.624 2.840 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.004 0.341 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.926 1.594 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.662 2.180 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.843 3.119 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.375 0.739 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.290 2.265 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.144 0.715 -0.116 1.00 0.00 H new ATOM 417 N LYS A 26 -13.035 2.679 -3.538 1.00 0.00 N ATOM 418 CA LYS A 26 -14.340 3.385 -3.467 1.00 0.00 C ATOM 419 C LYS A 26 -15.473 2.359 -3.431 1.00 0.00 C ATOM 420 O LYS A 26 -16.484 2.558 -2.785 1.00 0.00 O ATOM 421 CB LYS A 26 -14.502 4.287 -4.693 1.00 0.00 C ATOM 422 CG LYS A 26 -15.742 5.167 -4.522 1.00 0.00 C ATOM 423 CD LYS A 26 -16.604 5.091 -5.785 1.00 0.00 C ATOM 424 CE LYS A 26 -17.856 5.951 -5.600 1.00 0.00 C ATOM 425 NZ LYS A 26 -19.009 5.078 -5.244 1.00 0.00 N ATOM 0 H LYS A 26 -12.428 2.963 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.375 3.995 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.616 4.910 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.596 3.680 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.317 4.838 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.445 6.199 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.035 5.438 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.886 4.057 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.690 6.690 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.071 6.501 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.860 5.662 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.171 4.389 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.802 4.573 -4.359 1.00 0.00 H new ATOM 439 N GLU A 27 -15.316 1.263 -4.121 1.00 0.00 N ATOM 440 CA GLU A 27 -16.381 0.229 -4.128 1.00 0.00 C ATOM 441 C GLU A 27 -16.701 -0.186 -2.691 1.00 0.00 C ATOM 442 O GLU A 27 -17.807 -0.584 -2.382 1.00 0.00 O ATOM 443 CB GLU A 27 -15.906 -0.992 -4.918 1.00 0.00 C ATOM 444 CG GLU A 27 -17.073 -1.564 -5.724 1.00 0.00 C ATOM 445 CD GLU A 27 -16.613 -2.817 -6.470 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.414 -3.014 -6.574 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.468 -3.560 -6.923 1.00 0.00 O ATOM 0 H GLU A 27 -14.493 1.041 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.277 0.637 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.092 -0.712 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.514 -1.749 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.903 -1.807 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.439 -0.820 -6.432 1.00 0.00 H new ATOM 454 N LEU A 28 -15.742 -0.099 -1.812 1.00 0.00 N ATOM 455 CA LEU A 28 -15.991 -0.492 -0.396 1.00 0.00 C ATOM 456 C LEU A 28 -16.529 0.708 0.382 1.00 0.00 C ATOM 457 O LEU A 28 -17.635 0.691 0.885 1.00 0.00 O ATOM 458 CB LEU A 28 -14.682 -0.970 0.236 1.00 0.00 C ATOM 459 CG LEU A 28 -14.017 -1.993 -0.685 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.724 -2.498 -0.042 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.968 -3.171 -0.908 1.00 0.00 C ATOM 0 H LEU A 28 -14.797 0.227 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.724 -1.298 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.014 -0.124 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.878 -1.416 1.211 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.787 -1.523 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.251 -3.227 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.046 -1.660 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.953 -2.967 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.495 -3.901 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.198 -3.639 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.889 -2.813 -1.368 1.00 0.00 H new ATOM 473 N GLY A 29 -15.753 1.748 0.490 1.00 0.00 N ATOM 474 CA GLY A 29 -16.209 2.945 1.234 1.00 0.00 C ATOM 475 C GLY A 29 -15.016 3.860 1.517 1.00 0.00 C ATOM 476 O GLY A 29 -14.631 4.058 2.652 1.00 0.00 O ATOM 0 H GLY A 29 -14.817 1.817 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.961 3.481 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.681 2.646 2.170 1.00 0.00 H new ATOM 480 N PHE A 30 -14.421 4.415 0.498 1.00 0.00 N ATOM 481 CA PHE A 30 -13.251 5.312 0.719 1.00 0.00 C ATOM 482 C PHE A 30 -13.198 6.369 -0.389 1.00 0.00 C ATOM 483 O PHE A 30 -13.543 6.107 -1.524 1.00 0.00 O ATOM 484 CB PHE A 30 -11.970 4.477 0.693 1.00 0.00 C ATOM 485 CG PHE A 30 -12.007 3.455 1.804 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.560 3.796 3.082 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.487 2.166 1.554 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.591 2.850 4.113 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.520 1.217 2.584 1.00 0.00 C ATOM 490 CZ PHE A 30 -12.071 1.560 3.864 1.00 0.00 C ATOM 0 H PHE A 30 -14.693 4.287 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.346 5.809 1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.869 3.978 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.100 5.124 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.190 4.792 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.833 1.901 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.244 3.116 5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.892 0.222 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.095 0.829 4.659 1.00 0.00 H new ATOM 500 N ASN A 31 -12.772 7.562 -0.070 1.00 0.00 N ATOM 501 CA ASN A 31 -12.701 8.631 -1.111 1.00 0.00 C ATOM 502 C ASN A 31 -11.567 9.604 -0.777 1.00 0.00 C ATOM 503 O ASN A 31 -11.796 10.758 -0.478 1.00 0.00 O ATOM 504 CB ASN A 31 -14.029 9.390 -1.150 1.00 0.00 C ATOM 505 CG ASN A 31 -14.128 10.179 -2.456 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.179 10.816 -2.869 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.245 10.164 -3.131 1.00 0.00 N ATOM 0 H ASN A 31 -12.471 7.843 0.863 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.510 8.176 -2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.862 8.691 -1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.099 10.066 -0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.320 10.686 -4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.042 9.630 -2.786 1.00 0.00 H new ATOM 514 N ASN A 32 -10.345 9.144 -0.835 1.00 0.00 N ATOM 515 CA ASN A 32 -9.187 10.034 -0.526 1.00 0.00 C ATOM 516 C ASN A 32 -7.897 9.271 -0.823 1.00 0.00 C ATOM 517 O ASN A 32 -7.455 8.459 -0.034 1.00 0.00 O ATOM 518 CB ASN A 32 -9.214 10.425 0.954 1.00 0.00 C ATOM 519 CG ASN A 32 -8.341 11.661 1.173 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.189 11.682 0.789 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.843 12.701 1.780 1.00 0.00 N ATOM 0 H ASN A 32 -10.098 8.186 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.242 10.937 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.238 10.630 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.852 9.599 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.268 13.530 1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.810 12.685 2.103 1.00 0.00 H new ATOM 528 N VAL A 33 -7.296 9.506 -1.957 1.00 0.00 N ATOM 529 CA VAL A 33 -6.047 8.765 -2.290 1.00 0.00 C ATOM 530 C VAL A 33 -5.141 9.616 -3.182 1.00 0.00 C ATOM 531 O VAL A 33 -5.609 10.435 -3.947 1.00 0.00 O ATOM 532 CB VAL A 33 -6.425 7.477 -3.027 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.384 7.810 -4.172 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.167 6.819 -3.597 1.00 0.00 C ATOM 0 H VAL A 33 -7.612 10.173 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.508 8.533 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.907 6.792 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.654 6.894 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.283 8.276 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.898 8.497 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.441 5.903 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.682 7.503 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.481 6.581 -2.784 1.00 0.00 H new ATOM 544 N GLU A 34 -3.844 9.413 -3.094 1.00 0.00 N ATOM 545 CA GLU A 34 -2.899 10.191 -3.943 1.00 0.00 C ATOM 546 C GLU A 34 -2.074 9.214 -4.775 1.00 0.00 C ATOM 547 O GLU A 34 -2.395 8.045 -4.867 1.00 0.00 O ATOM 548 CB GLU A 34 -1.990 11.043 -3.054 1.00 0.00 C ATOM 549 CG GLU A 34 -2.581 12.450 -2.942 1.00 0.00 C ATOM 550 CD GLU A 34 -2.406 13.189 -4.272 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.725 12.662 -5.135 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.957 14.269 -4.404 1.00 0.00 O ATOM 0 H GLU A 34 -3.405 8.739 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.449 10.857 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.900 10.592 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.986 11.089 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.638 12.392 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.087 13.000 -2.141 1.00 0.00 H new ATOM 559 N GLU A 35 -1.026 9.674 -5.393 1.00 0.00 N ATOM 560 CA GLU A 35 -0.209 8.757 -6.229 1.00 0.00 C ATOM 561 C GLU A 35 1.251 9.206 -6.247 1.00 0.00 C ATOM 562 O GLU A 35 1.559 10.373 -6.107 1.00 0.00 O ATOM 563 CB GLU A 35 -0.757 8.760 -7.658 1.00 0.00 C ATOM 564 CG GLU A 35 -0.251 7.526 -8.409 1.00 0.00 C ATOM 565 CD GLU A 35 0.077 7.907 -9.853 1.00 0.00 C ATOM 566 OE1 GLU A 35 -0.562 8.810 -10.367 1.00 0.00 O ATOM 567 OE2 GLU A 35 0.962 7.288 -10.422 1.00 0.00 O ATOM 0 H GLU A 35 -0.701 10.640 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.262 7.753 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.847 8.764 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.443 9.666 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.635 7.126 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.007 6.741 -8.392 1.00 0.00 H new ATOM 574 N ALA A 36 2.148 8.282 -6.439 1.00 0.00 N ATOM 575 CA ALA A 36 3.593 8.633 -6.492 1.00 0.00 C ATOM 576 C ALA A 36 4.277 7.729 -7.521 1.00 0.00 C ATOM 577 O ALA A 36 3.695 6.767 -7.984 1.00 0.00 O ATOM 578 CB ALA A 36 4.224 8.426 -5.115 1.00 0.00 C ATOM 0 H ALA A 36 1.941 7.291 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 36 3.714 9.678 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.282 8.684 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.724 9.064 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.116 7.383 -4.819 1.00 0.00 H new ATOM 584 N GLU A 37 5.495 8.035 -7.889 1.00 0.00 N ATOM 585 CA GLU A 37 6.212 7.198 -8.901 1.00 0.00 C ATOM 586 C GLU A 37 7.517 6.665 -8.306 1.00 0.00 C ATOM 587 O GLU A 37 8.333 6.097 -9.004 1.00 0.00 O ATOM 588 CB GLU A 37 6.531 8.053 -10.129 1.00 0.00 C ATOM 589 CG GLU A 37 5.252 8.729 -10.625 1.00 0.00 C ATOM 590 CD GLU A 37 5.585 9.653 -11.797 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.487 9.324 -12.550 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.931 10.676 -11.924 1.00 0.00 O ATOM 0 H GLU A 37 6.026 8.830 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 37 5.578 6.359 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.279 8.805 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.956 7.432 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.527 7.976 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.793 9.299 -9.818 1.00 0.00 H new ATOM 599 N ASP A 38 7.719 6.836 -7.027 1.00 0.00 N ATOM 600 CA ASP A 38 8.972 6.336 -6.389 1.00 0.00 C ATOM 601 C ASP A 38 8.949 6.719 -4.915 1.00 0.00 C ATOM 602 O ASP A 38 7.987 7.275 -4.433 1.00 0.00 O ATOM 603 CB ASP A 38 10.200 6.972 -7.054 1.00 0.00 C ATOM 604 CG ASP A 38 9.958 8.467 -7.274 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.903 8.811 -7.781 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.834 9.243 -6.934 1.00 0.00 O ATOM 0 H ASP A 38 7.068 7.302 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 38 9.031 5.254 -6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.080 6.826 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.402 6.483 -8.007 1.00 0.00 H new ATOM 611 N GLY A 39 9.995 6.437 -4.192 1.00 0.00 N ATOM 612 CA GLY A 39 10.005 6.806 -2.751 1.00 0.00 C ATOM 613 C GLY A 39 10.188 8.312 -2.629 1.00 0.00 C ATOM 614 O GLY A 39 9.567 8.955 -1.808 1.00 0.00 O ATOM 0 H GLY A 39 10.836 5.971 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.072 6.500 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.811 6.285 -2.234 1.00 0.00 H new ATOM 618 N VAL A 40 11.014 8.892 -3.451 1.00 0.00 N ATOM 619 CA VAL A 40 11.194 10.363 -3.379 1.00 0.00 C ATOM 620 C VAL A 40 9.819 11.014 -3.507 1.00 0.00 C ATOM 621 O VAL A 40 9.535 12.021 -2.889 1.00 0.00 O ATOM 622 CB VAL A 40 12.098 10.831 -4.523 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.702 12.193 -4.173 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.223 9.815 -4.731 1.00 0.00 C ATOM 0 H VAL A 40 11.567 8.415 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 40 11.658 10.642 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 40 11.511 10.918 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.345 12.526 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.902 12.918 -4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.289 12.106 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.867 10.147 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.809 9.729 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.795 8.844 -4.980 1.00 0.00 H new ATOM 634 N ASP A 41 8.957 10.430 -4.299 1.00 0.00 N ATOM 635 CA ASP A 41 7.591 10.994 -4.471 1.00 0.00 C ATOM 636 C ASP A 41 6.702 10.526 -3.319 1.00 0.00 C ATOM 637 O ASP A 41 5.998 11.306 -2.709 1.00 0.00 O ATOM 638 CB ASP A 41 7.014 10.497 -5.795 1.00 0.00 C ATOM 639 CG ASP A 41 5.881 11.421 -6.244 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.005 11.687 -5.437 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.908 11.849 -7.387 1.00 0.00 O ATOM 0 H ASP A 41 9.144 9.583 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 41 7.635 12.083 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.795 10.468 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.642 9.479 -5.681 1.00 0.00 H new ATOM 646 N ALA A 42 6.727 9.256 -3.016 1.00 0.00 N ATOM 647 CA ALA A 42 5.885 8.740 -1.901 1.00 0.00 C ATOM 648 C ALA A 42 6.176 9.546 -0.633 1.00 0.00 C ATOM 649 O ALA A 42 5.286 10.097 -0.017 1.00 0.00 O ATOM 650 CB ALA A 42 6.210 7.264 -1.659 1.00 0.00 C ATOM 0 H ALA A 42 7.294 8.555 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 42 4.831 8.839 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.595 6.885 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.004 6.693 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.263 7.162 -1.397 1.00 0.00 H new ATOM 656 N LEU A 43 7.418 9.613 -0.237 1.00 0.00 N ATOM 657 CA LEU A 43 7.775 10.376 0.994 1.00 0.00 C ATOM 658 C LEU A 43 7.356 11.843 0.844 1.00 0.00 C ATOM 659 O LEU A 43 6.584 12.357 1.629 1.00 0.00 O ATOM 660 CB LEU A 43 9.292 10.305 1.213 1.00 0.00 C ATOM 661 CG LEU A 43 9.610 9.565 2.516 1.00 0.00 C ATOM 662 CD1 LEU A 43 9.012 10.323 3.705 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.023 8.151 2.461 1.00 0.00 C ATOM 0 H LEU A 43 8.204 9.171 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 43 7.255 9.940 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.763 9.795 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.708 11.312 1.248 1.00 0.00 H new ATOM 0 HG LEU A 43 10.692 9.504 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.242 9.791 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.437 11.326 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.931 10.392 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.250 7.626 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.942 8.210 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.458 7.609 1.622 1.00 0.00 H new ATOM 675 N ASN A 44 7.865 12.523 -0.147 1.00 0.00 N ATOM 676 CA ASN A 44 7.499 13.957 -0.330 1.00 0.00 C ATOM 677 C ASN A 44 5.978 14.109 -0.364 1.00 0.00 C ATOM 678 O ASN A 44 5.433 15.107 0.065 1.00 0.00 O ATOM 679 CB ASN A 44 8.076 14.468 -1.649 1.00 0.00 C ATOM 680 CG ASN A 44 9.549 14.834 -1.461 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.891 15.583 -0.566 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.442 14.334 -2.271 1.00 0.00 N ATOM 0 H ASN A 44 8.517 12.149 -0.837 1.00 0.00 H new ATOM 0 HA ASN A 44 7.904 14.533 0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.977 13.704 -2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.516 15.339 -1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.427 14.571 -2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.155 13.706 -3.022 1.00 0.00 H new ATOM 689 N LYS A 45 5.292 13.137 -0.891 1.00 0.00 N ATOM 690 CA LYS A 45 3.807 13.233 -0.976 1.00 0.00 C ATOM 691 C LYS A 45 3.157 12.678 0.294 1.00 0.00 C ATOM 692 O LYS A 45 1.982 12.879 0.527 1.00 0.00 O ATOM 693 CB LYS A 45 3.317 12.435 -2.188 1.00 0.00 C ATOM 694 CG LYS A 45 1.917 12.915 -2.601 1.00 0.00 C ATOM 695 CD LYS A 45 1.982 14.343 -3.160 1.00 0.00 C ATOM 696 CE LYS A 45 0.988 14.486 -4.315 1.00 0.00 C ATOM 697 NZ LYS A 45 0.915 15.915 -4.730 1.00 0.00 N ATOM 0 H LYS A 45 5.694 12.278 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 45 3.529 14.282 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.012 12.556 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.290 11.372 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.502 12.243 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.247 12.885 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.750 15.063 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.992 14.564 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.299 13.867 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.003 14.134 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.240 16.015 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.599 16.494 -3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.855 16.235 -5.039 1.00 0.00 H new ATOM 711 N LEU A 46 3.892 11.983 1.121 1.00 0.00 N ATOM 712 CA LEU A 46 3.263 11.440 2.359 1.00 0.00 C ATOM 713 C LEU A 46 3.224 12.535 3.424 1.00 0.00 C ATOM 714 O LEU A 46 2.347 12.564 4.265 1.00 0.00 O ATOM 715 CB LEU A 46 4.071 10.242 2.896 1.00 0.00 C ATOM 716 CG LEU A 46 3.264 8.922 2.839 1.00 0.00 C ATOM 717 CD1 LEU A 46 4.012 7.917 1.981 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.110 8.343 4.246 1.00 0.00 C ATOM 0 H LEU A 46 4.882 11.771 0.997 1.00 0.00 H new ATOM 0 HA LEU A 46 2.252 11.107 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.986 10.132 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.370 10.439 3.925 1.00 0.00 H new ATOM 0 HG LEU A 46 2.280 9.124 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.448 6.985 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.132 8.316 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.994 7.727 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.541 7.415 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.095 8.143 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.584 9.058 4.878 1.00 0.00 H new ATOM 730 N GLN A 47 4.161 13.442 3.394 1.00 0.00 N ATOM 731 CA GLN A 47 4.162 14.534 4.405 1.00 0.00 C ATOM 732 C GLN A 47 2.810 15.246 4.357 1.00 0.00 C ATOM 733 O GLN A 47 2.504 16.080 5.184 1.00 0.00 O ATOM 734 CB GLN A 47 5.280 15.527 4.082 1.00 0.00 C ATOM 735 CG GLN A 47 5.302 16.639 5.132 1.00 0.00 C ATOM 736 CD GLN A 47 4.731 17.923 4.528 1.00 0.00 C ATOM 737 OE1 GLN A 47 3.844 18.532 5.093 1.00 0.00 O ATOM 738 NE2 GLN A 47 5.206 18.364 3.396 1.00 0.00 N ATOM 0 H GLN A 47 4.922 13.474 2.716 1.00 0.00 H new ATOM 0 HA GLN A 47 4.329 14.123 5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.241 15.013 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.126 15.953 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.717 16.343 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.322 16.809 5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.950 17.853 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.833 19.220 2.985 1.00 0.00 H new ATOM 747 N ALA A 48 2.003 14.919 3.384 1.00 0.00 N ATOM 748 CA ALA A 48 0.670 15.567 3.265 1.00 0.00 C ATOM 749 C ALA A 48 -0.014 15.600 4.633 1.00 0.00 C ATOM 750 O ALA A 48 -0.180 16.649 5.223 1.00 0.00 O ATOM 751 CB ALA A 48 -0.192 14.783 2.274 1.00 0.00 C ATOM 0 H ALA A 48 2.213 14.227 2.664 1.00 0.00 H new ATOM 0 HA ALA A 48 0.796 16.588 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.169 15.258 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.294 14.771 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.316 13.760 2.630 1.00 0.00 H new ATOM 757 N GLY A 49 -0.417 14.468 5.149 1.00 0.00 N ATOM 758 CA GLY A 49 -1.090 14.470 6.480 1.00 0.00 C ATOM 759 C GLY A 49 -0.922 13.112 7.163 1.00 0.00 C ATOM 760 O GLY A 49 -1.615 12.799 8.112 1.00 0.00 O ATOM 0 H GLY A 49 -0.311 13.553 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.667 15.255 7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.150 14.695 6.359 1.00 0.00 H new ATOM 764 N GLY A 50 -0.019 12.298 6.693 1.00 0.00 N ATOM 765 CA GLY A 50 0.170 10.963 7.328 1.00 0.00 C ATOM 766 C GLY A 50 -0.801 9.978 6.687 1.00 0.00 C ATOM 767 O GLY A 50 -1.945 9.869 7.082 1.00 0.00 O ATOM 0 H GLY A 50 0.593 12.497 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.197 10.623 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.008 11.026 8.401 1.00 0.00 H new ATOM 771 N TYR A 51 -0.361 9.275 5.685 1.00 0.00 N ATOM 772 CA TYR A 51 -1.261 8.315 4.999 1.00 0.00 C ATOM 773 C TYR A 51 -1.519 7.104 5.881 1.00 0.00 C ATOM 774 O TYR A 51 -0.684 6.236 6.027 1.00 0.00 O ATOM 775 CB TYR A 51 -0.613 7.871 3.696 1.00 0.00 C ATOM 776 CG TYR A 51 -0.861 8.931 2.665 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.143 10.127 2.714 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.825 8.729 1.679 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.392 11.127 1.768 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.072 9.724 0.728 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.356 10.926 0.776 1.00 0.00 C ATOM 782 OH TYR A 51 -1.601 11.913 -0.153 1.00 0.00 O ATOM 0 H TYR A 51 0.587 9.325 5.311 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.214 8.803 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.457 7.720 3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.030 6.918 3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.603 10.280 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.381 7.804 1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.161 12.054 1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.813 9.566 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.782 12.430 -0.305 1.00 0.00 H new ATOM 792 N GLY A 52 -2.681 7.030 6.458 1.00 0.00 N ATOM 793 CA GLY A 52 -2.999 5.864 7.315 1.00 0.00 C ATOM 794 C GLY A 52 -2.839 4.590 6.495 1.00 0.00 C ATOM 795 O GLY A 52 -2.869 3.496 7.020 1.00 0.00 O ATOM 0 H GLY A 52 -3.422 7.726 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.337 5.841 8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.018 5.942 7.695 1.00 0.00 H new ATOM 799 N PHE A 53 -2.690 4.718 5.203 1.00 0.00 N ATOM 800 CA PHE A 53 -2.554 3.508 4.355 1.00 0.00 C ATOM 801 C PHE A 53 -1.733 3.834 3.100 1.00 0.00 C ATOM 802 O PHE A 53 -1.929 4.852 2.467 1.00 0.00 O ATOM 803 CB PHE A 53 -3.958 3.082 3.941 1.00 0.00 C ATOM 804 CG PHE A 53 -4.195 1.630 4.266 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.498 1.245 5.571 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.157 0.675 3.251 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.756 -0.091 5.863 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.421 -0.659 3.536 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.720 -1.050 4.845 1.00 0.00 C ATOM 0 H PHE A 53 -2.657 5.607 4.704 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.047 2.714 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.696 3.699 4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.092 3.247 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.533 1.985 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.922 0.973 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.984 -0.388 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.395 -1.395 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.922 -2.087 5.069 1.00 0.00 H new ATOM 819 N VAL A 54 -0.827 2.974 2.717 1.00 0.00 N ATOM 820 CA VAL A 54 -0.035 3.254 1.480 1.00 0.00 C ATOM 821 C VAL A 54 0.247 1.941 0.745 1.00 0.00 C ATOM 822 O VAL A 54 0.619 0.940 1.332 1.00 0.00 O ATOM 823 CB VAL A 54 1.267 3.992 1.826 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.136 3.147 2.741 1.00 0.00 C ATOM 825 CG2 VAL A 54 2.046 4.302 0.544 1.00 0.00 C ATOM 0 H VAL A 54 -0.602 2.103 3.197 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.612 3.903 0.822 1.00 0.00 H new ATOM 0 HB VAL A 54 1.008 4.919 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.053 3.688 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.595 2.936 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.384 2.210 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.968 4.825 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.286 3.371 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.439 4.930 -0.108 1.00 0.00 H new ATOM 835 N ILE A 55 0.025 1.945 -0.543 1.00 0.00 N ATOM 836 CA ILE A 55 0.225 0.721 -1.370 1.00 0.00 C ATOM 837 C ILE A 55 1.384 0.941 -2.351 1.00 0.00 C ATOM 838 O ILE A 55 1.714 2.059 -2.695 1.00 0.00 O ATOM 839 CB ILE A 55 -1.056 0.466 -2.170 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.274 0.659 -1.261 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.050 -0.958 -2.722 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.548 0.299 -2.027 1.00 0.00 C ATOM 0 H ILE A 55 -0.293 2.761 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 55 0.454 -0.127 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.106 1.170 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.181 0.032 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.324 1.692 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.964 -1.132 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.187 -1.092 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.995 -1.668 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.413 0.437 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.642 0.944 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.498 -0.741 -2.349 1.00 0.00 H new ATOM 854 N SER A 56 1.990 -0.118 -2.817 1.00 0.00 N ATOM 855 CA SER A 56 3.110 0.024 -3.791 1.00 0.00 C ATOM 856 C SER A 56 3.057 -1.143 -4.784 1.00 0.00 C ATOM 857 O SER A 56 2.324 -2.094 -4.593 1.00 0.00 O ATOM 858 CB SER A 56 4.448 0.021 -3.052 1.00 0.00 C ATOM 859 OG SER A 56 4.690 -1.276 -2.520 1.00 0.00 O ATOM 0 H SER A 56 1.757 -1.078 -2.564 1.00 0.00 H new ATOM 0 HA SER A 56 3.011 0.967 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.252 0.303 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.435 0.759 -2.250 1.00 0.00 H new ATOM 0 HG SER A 56 5.548 -1.281 -2.047 1.00 0.00 H new ATOM 865 N ASP A 57 3.811 -1.072 -5.849 1.00 0.00 N ATOM 866 CA ASP A 57 3.779 -2.173 -6.858 1.00 0.00 C ATOM 867 C ASP A 57 4.877 -3.203 -6.567 1.00 0.00 C ATOM 868 O ASP A 57 4.795 -4.335 -6.997 1.00 0.00 O ATOM 869 CB ASP A 57 3.995 -1.584 -8.255 1.00 0.00 C ATOM 870 CG ASP A 57 3.253 -2.435 -9.287 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.982 -3.588 -8.991 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.969 -1.920 -10.356 1.00 0.00 O ATOM 0 H ASP A 57 4.445 -0.303 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 57 2.810 -2.669 -6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.634 -0.556 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.059 -1.555 -8.489 1.00 0.00 H new ATOM 877 N TRP A 58 5.899 -2.825 -5.847 1.00 0.00 N ATOM 878 CA TRP A 58 6.995 -3.793 -5.536 1.00 0.00 C ATOM 879 C TRP A 58 7.627 -4.300 -6.835 1.00 0.00 C ATOM 880 O TRP A 58 8.027 -5.443 -6.932 1.00 0.00 O ATOM 881 CB TRP A 58 6.422 -4.981 -4.756 1.00 0.00 C ATOM 882 CG TRP A 58 7.524 -5.726 -4.070 1.00 0.00 C ATOM 883 CD1 TRP A 58 8.143 -6.826 -4.562 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.139 -5.458 -2.774 1.00 0.00 C ATOM 885 NE1 TRP A 58 9.098 -7.246 -3.655 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.134 -6.437 -2.537 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.933 -4.472 -1.793 1.00 0.00 C ATOM 888 CZ2 TRP A 58 9.897 -6.437 -1.369 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.699 -4.470 -0.615 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.678 -5.452 -0.404 1.00 0.00 C ATOM 0 H TRP A 58 6.024 -1.889 -5.460 1.00 0.00 H new ATOM 0 HA TRP A 58 7.755 -3.291 -4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.699 -4.628 -4.021 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.889 -5.648 -5.434 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.926 -7.298 -5.509 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.703 -8.055 -3.795 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.181 -3.712 -1.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 10.652 -7.194 -1.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.533 -3.708 0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.262 -5.446 0.504 1.00 0.00 H new ATOM 901 N ASN A 59 7.727 -3.467 -7.836 1.00 0.00 N ATOM 902 CA ASN A 59 8.340 -3.924 -9.118 1.00 0.00 C ATOM 903 C ASN A 59 8.393 -2.762 -10.113 1.00 0.00 C ATOM 904 O ASN A 59 8.007 -2.894 -11.257 1.00 0.00 O ATOM 905 CB ASN A 59 7.504 -5.068 -9.702 1.00 0.00 C ATOM 906 CG ASN A 59 6.017 -4.775 -9.491 1.00 0.00 C ATOM 907 OD1 ASN A 59 5.579 -3.653 -9.646 1.00 0.00 O ATOM 908 ND2 ASN A 59 5.217 -5.746 -9.143 1.00 0.00 N ATOM 0 H ASN A 59 7.413 -2.496 -7.823 1.00 0.00 H new ATOM 0 HA ASN A 59 9.354 -4.275 -8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.716 -5.181 -10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.771 -6.009 -9.222 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.224 -5.562 -9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.585 -6.688 -9.013 1.00 0.00 H new ATOM 915 N MET A 60 8.878 -1.624 -9.690 1.00 0.00 N ATOM 916 CA MET A 60 8.966 -0.454 -10.614 1.00 0.00 C ATOM 917 C MET A 60 9.465 0.796 -9.865 1.00 0.00 C ATOM 918 O MET A 60 10.381 1.444 -10.331 1.00 0.00 O ATOM 919 CB MET A 60 7.602 -0.161 -11.258 1.00 0.00 C ATOM 920 CG MET A 60 7.706 -0.337 -12.775 1.00 0.00 C ATOM 921 SD MET A 60 8.830 0.910 -13.450 1.00 0.00 S ATOM 922 CE MET A 60 9.597 -0.136 -14.711 1.00 0.00 C ATOM 0 H MET A 60 9.217 -1.454 -8.743 1.00 0.00 H new ATOM 0 HA MET A 60 9.679 -0.705 -11.399 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.845 -0.833 -10.854 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.286 0.855 -11.020 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.070 -1.337 -13.012 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.721 -0.240 -13.232 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.340 0.442 -15.261 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.081 -0.987 -14.232 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.833 -0.494 -15.401 1.00 0.00 H new ATOM 932 N PRO A 61 8.863 1.125 -8.735 1.00 0.00 N ATOM 933 CA PRO A 61 9.281 2.318 -7.971 1.00 0.00 C ATOM 934 C PRO A 61 10.712 2.147 -7.452 1.00 0.00 C ATOM 935 O PRO A 61 11.014 1.201 -6.753 1.00 0.00 O ATOM 936 CB PRO A 61 8.292 2.409 -6.801 1.00 0.00 C ATOM 937 CG PRO A 61 7.303 1.225 -6.926 1.00 0.00 C ATOM 938 CD PRO A 61 7.742 0.371 -8.125 1.00 0.00 C ATOM 0 HA PRO A 61 9.274 3.220 -8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.821 2.366 -5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.757 3.358 -6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.302 0.630 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.286 1.590 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.059 -0.623 -7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.925 0.234 -8.834 1.00 0.00 H new ATOM 946 N ASN A 62 11.588 3.060 -7.789 1.00 0.00 N ATOM 947 CA ASN A 62 13.005 2.970 -7.321 1.00 0.00 C ATOM 948 C ASN A 62 13.495 1.524 -7.420 1.00 0.00 C ATOM 949 O ASN A 62 13.101 0.787 -8.302 1.00 0.00 O ATOM 950 CB ASN A 62 13.096 3.446 -5.868 1.00 0.00 C ATOM 951 CG ASN A 62 12.462 2.407 -4.943 1.00 0.00 C ATOM 952 OD1 ASN A 62 13.139 1.531 -4.439 1.00 0.00 O ATOM 953 ND2 ASN A 62 11.182 2.466 -4.694 1.00 0.00 N ATOM 0 H ASN A 62 11.380 3.870 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 62 13.631 3.603 -7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.139 3.604 -5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.588 4.404 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.750 1.778 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.614 3.200 -5.116 1.00 0.00 H new ATOM 960 N MET A 63 14.347 1.112 -6.520 1.00 0.00 N ATOM 961 CA MET A 63 14.855 -0.289 -6.563 1.00 0.00 C ATOM 962 C MET A 63 13.671 -1.237 -6.753 1.00 0.00 C ATOM 963 O MET A 63 13.548 -1.900 -7.764 1.00 0.00 O ATOM 964 CB MET A 63 15.566 -0.615 -5.249 1.00 0.00 C ATOM 965 CG MET A 63 16.399 0.589 -4.807 1.00 0.00 C ATOM 966 SD MET A 63 17.800 0.021 -3.810 1.00 0.00 S ATOM 967 CE MET A 63 18.941 -0.289 -5.180 1.00 0.00 C ATOM 0 H MET A 63 14.712 1.684 -5.759 1.00 0.00 H new ATOM 0 HA MET A 63 15.558 -0.404 -7.388 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.835 -0.867 -4.481 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.207 -1.487 -5.377 1.00 0.00 H new ATOM 0 HG2 MET A 63 16.758 1.136 -5.679 1.00 0.00 H new ATOM 0 HG3 MET A 63 15.783 1.278 -4.229 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.890 -0.654 -4.788 1.00 0.00 H new ATOM 0 HE2 MET A 63 18.513 -1.036 -5.848 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.108 0.637 -5.731 1.00 0.00 H new ATOM 977 N ASP A 64 12.795 -1.300 -5.790 1.00 0.00 N ATOM 978 CA ASP A 64 11.612 -2.195 -5.916 1.00 0.00 C ATOM 979 C ASP A 64 10.467 -1.622 -5.084 1.00 0.00 C ATOM 980 O ASP A 64 9.319 -1.646 -5.481 1.00 0.00 O ATOM 981 CB ASP A 64 11.966 -3.592 -5.404 1.00 0.00 C ATOM 982 CG ASP A 64 12.946 -3.477 -4.234 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.484 -3.342 -3.112 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.140 -3.524 -4.480 1.00 0.00 O ATOM 0 H ASP A 64 12.847 -0.770 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 64 11.312 -2.263 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.063 -4.113 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.409 -4.183 -6.206 1.00 0.00 H new ATOM 989 N GLY A 65 10.779 -1.102 -3.931 1.00 0.00 N ATOM 990 CA GLY A 65 9.729 -0.517 -3.052 1.00 0.00 C ATOM 991 C GLY A 65 10.042 -0.880 -1.602 1.00 0.00 C ATOM 992 O GLY A 65 9.372 -0.452 -0.686 1.00 0.00 O ATOM 0 H GLY A 65 11.726 -1.057 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.697 0.566 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.747 -0.898 -3.333 1.00 0.00 H new ATOM 996 N LEU A 66 11.068 -1.657 -1.380 1.00 0.00 N ATOM 997 CA LEU A 66 11.416 -2.011 0.019 1.00 0.00 C ATOM 998 C LEU A 66 11.993 -0.765 0.680 1.00 0.00 C ATOM 999 O LEU A 66 11.441 -0.248 1.621 1.00 0.00 O ATOM 1000 CB LEU A 66 12.451 -3.142 0.043 1.00 0.00 C ATOM 1001 CG LEU A 66 13.018 -3.309 1.463 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.879 -3.355 2.490 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.809 -4.616 1.541 1.00 0.00 C ATOM 0 H LEU A 66 11.671 -2.056 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 66 10.530 -2.355 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.991 -4.074 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.258 -2.922 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 66 13.667 -2.462 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.296 -3.473 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.308 -2.428 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.223 -4.197 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.212 -4.738 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.151 -5.454 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.628 -4.589 0.822 1.00 0.00 H new ATOM 1015 N GLU A 67 13.087 -0.263 0.174 1.00 0.00 N ATOM 1016 CA GLU A 67 13.678 0.970 0.763 1.00 0.00 C ATOM 1017 C GLU A 67 12.562 2.000 0.956 1.00 0.00 C ATOM 1018 O GLU A 67 12.621 2.852 1.820 1.00 0.00 O ATOM 1019 CB GLU A 67 14.730 1.530 -0.198 1.00 0.00 C ATOM 1020 CG GLU A 67 15.442 2.718 0.452 1.00 0.00 C ATOM 1021 CD GLU A 67 16.726 3.030 -0.320 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.639 3.228 -1.521 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.774 3.065 0.302 1.00 0.00 O ATOM 0 H GLU A 67 13.595 -0.653 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 67 14.147 0.745 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.453 0.755 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.257 1.842 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.787 3.589 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.677 2.490 1.492 1.00 0.00 H new ATOM 1030 N LEU A 68 11.542 1.909 0.149 1.00 0.00 N ATOM 1031 CA LEU A 68 10.396 2.857 0.249 1.00 0.00 C ATOM 1032 C LEU A 68 9.579 2.531 1.503 1.00 0.00 C ATOM 1033 O LEU A 68 9.051 3.404 2.161 1.00 0.00 O ATOM 1034 CB LEU A 68 9.516 2.670 -1.002 1.00 0.00 C ATOM 1035 CG LEU A 68 8.627 3.889 -1.270 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.445 4.036 -2.783 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.254 3.679 -0.629 1.00 0.00 C ATOM 0 H LEU A 68 11.452 1.208 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 68 10.752 3.885 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.152 2.489 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.890 1.787 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 68 9.092 4.781 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.814 4.900 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.418 4.175 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.973 3.138 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.625 4.548 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.786 2.791 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.371 3.548 0.447 1.00 0.00 H new ATOM 1049 N LEU A 69 9.459 1.272 1.819 1.00 0.00 N ATOM 1050 CA LEU A 69 8.664 0.853 3.010 1.00 0.00 C ATOM 1051 C LEU A 69 9.571 0.800 4.249 1.00 0.00 C ATOM 1052 O LEU A 69 9.163 1.127 5.347 1.00 0.00 O ATOM 1053 CB LEU A 69 8.041 -0.518 2.680 1.00 0.00 C ATOM 1054 CG LEU A 69 7.928 -1.438 3.903 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.961 -0.848 4.923 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.368 -2.778 3.447 1.00 0.00 C ATOM 0 H LEU A 69 9.883 0.505 1.297 1.00 0.00 H new ATOM 0 HA LEU A 69 7.869 1.564 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.049 -0.367 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.644 -1.010 1.917 1.00 0.00 H new ATOM 0 HG LEU A 69 8.913 -1.551 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.891 -1.512 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.323 0.128 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.976 -0.738 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.280 -3.446 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.385 -2.629 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.038 -3.220 2.709 1.00 0.00 H new ATOM 1068 N LYS A 70 10.798 0.396 4.083 1.00 0.00 N ATOM 1069 CA LYS A 70 11.730 0.328 5.244 1.00 0.00 C ATOM 1070 C LYS A 70 11.869 1.718 5.866 1.00 0.00 C ATOM 1071 O LYS A 70 11.721 1.890 7.059 1.00 0.00 O ATOM 1072 CB LYS A 70 13.100 -0.160 4.769 1.00 0.00 C ATOM 1073 CG LYS A 70 13.969 -0.498 5.982 1.00 0.00 C ATOM 1074 CD LYS A 70 15.415 -0.719 5.530 1.00 0.00 C ATOM 1075 CE LYS A 70 16.224 0.558 5.770 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.493 0.496 4.992 1.00 0.00 N ATOM 0 H LYS A 70 11.198 0.109 3.190 1.00 0.00 H new ATOM 0 HA LYS A 70 11.337 -0.365 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.985 -1.039 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.583 0.609 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.925 0.311 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.590 -1.393 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.856 -1.551 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.441 -0.986 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.644 1.431 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.441 0.669 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.043 1.364 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.048 -0.328 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.275 0.409 3.979 1.00 0.00 H new ATOM 1090 N THR A 71 12.149 2.712 5.068 1.00 0.00 N ATOM 1091 CA THR A 71 12.293 4.086 5.621 1.00 0.00 C ATOM 1092 C THR A 71 11.099 4.398 6.524 1.00 0.00 C ATOM 1093 O THR A 71 11.249 4.920 7.611 1.00 0.00 O ATOM 1094 CB THR A 71 12.342 5.098 4.475 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.118 4.567 3.409 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.971 6.401 4.967 1.00 0.00 C ATOM 0 H THR A 71 12.284 2.631 4.060 1.00 0.00 H new ATOM 0 HA THR A 71 13.215 4.149 6.199 1.00 0.00 H new ATOM 0 HB THR A 71 11.330 5.298 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.529 4.117 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.005 7.120 4.149 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.374 6.808 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.983 6.206 5.320 1.00 0.00 H new ATOM 1104 N ILE A 72 9.913 4.078 6.085 1.00 0.00 N ATOM 1105 CA ILE A 72 8.710 4.353 6.919 1.00 0.00 C ATOM 1106 C ILE A 72 8.860 3.650 8.270 1.00 0.00 C ATOM 1107 O ILE A 72 8.480 4.173 9.299 1.00 0.00 O ATOM 1108 CB ILE A 72 7.462 3.826 6.205 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.124 4.745 5.025 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.287 3.798 7.184 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.300 3.981 3.980 1.00 0.00 C ATOM 0 H ILE A 72 9.725 3.638 5.184 1.00 0.00 H new ATOM 0 HA ILE A 72 8.611 5.427 7.075 1.00 0.00 H new ATOM 0 HB ILE A 72 7.651 2.817 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.565 5.612 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.042 5.121 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.399 3.423 6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.528 3.145 8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.096 4.806 7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.066 4.643 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.874 3.129 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.374 3.628 4.434 1.00 0.00 H new ATOM 1123 N ARG A 73 9.411 2.467 8.273 1.00 0.00 N ATOM 1124 CA ARG A 73 9.583 1.730 9.558 1.00 0.00 C ATOM 1125 C ARG A 73 10.577 2.474 10.454 1.00 0.00 C ATOM 1126 O ARG A 73 10.290 2.783 11.594 1.00 0.00 O ATOM 1127 CB ARG A 73 10.115 0.324 9.272 1.00 0.00 C ATOM 1128 CG ARG A 73 10.286 -0.439 10.589 1.00 0.00 C ATOM 1129 CD ARG A 73 11.770 -0.505 10.958 1.00 0.00 C ATOM 1130 NE ARG A 73 12.500 -1.317 9.946 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.738 -1.668 10.163 1.00 0.00 C ATOM 1132 NH1 ARG A 73 14.685 -0.769 10.140 1.00 0.00 N ATOM 1133 NH2 ARG A 73 14.030 -2.917 10.405 1.00 0.00 N ATOM 0 H ARG A 73 9.749 1.979 7.443 1.00 0.00 H new ATOM 0 HA ARG A 73 8.620 1.663 10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.426 -0.210 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.069 0.385 8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.726 0.056 11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.880 -1.446 10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.189 0.500 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.890 -0.945 11.948 1.00 0.00 H new ATOM 0 HE ARG A 73 12.033 -1.599 9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.457 0.207 9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.653 -1.043 10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.290 -3.619 10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.998 -3.191 10.575 1.00 0.00 H new ATOM 1147 N ALA A 74 11.749 2.754 9.951 1.00 0.00 N ATOM 1148 CA ALA A 74 12.768 3.466 10.777 1.00 0.00 C ATOM 1149 C ALA A 74 12.130 4.661 11.485 1.00 0.00 C ATOM 1150 O ALA A 74 12.348 4.888 12.658 1.00 0.00 O ATOM 1151 CB ALA A 74 13.902 3.956 9.874 1.00 0.00 C ATOM 0 H ALA A 74 12.046 2.521 9.003 1.00 0.00 H new ATOM 0 HA ALA A 74 13.163 2.779 11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.647 4.476 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.367 3.104 9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.501 4.638 9.124 1.00 0.00 H new ATOM 1157 N ASP A 75 11.351 5.432 10.781 1.00 0.00 N ATOM 1158 CA ASP A 75 10.704 6.619 11.413 1.00 0.00 C ATOM 1159 C ASP A 75 10.095 6.218 12.759 1.00 0.00 C ATOM 1160 O ASP A 75 9.385 5.237 12.864 1.00 0.00 O ATOM 1161 CB ASP A 75 9.605 7.152 10.492 1.00 0.00 C ATOM 1162 CG ASP A 75 10.196 8.198 9.545 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.716 9.186 10.036 1.00 0.00 O ATOM 1164 OD2 ASP A 75 10.118 7.994 8.344 1.00 0.00 O ATOM 0 H ASP A 75 11.133 5.293 9.794 1.00 0.00 H new ATOM 0 HA ASP A 75 11.452 7.396 11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.167 6.334 9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.803 7.593 11.083 1.00 0.00 H new ATOM 1169 N GLY A 76 10.367 6.971 13.790 1.00 0.00 N ATOM 1170 CA GLY A 76 9.805 6.635 15.130 1.00 0.00 C ATOM 1171 C GLY A 76 8.458 7.336 15.312 1.00 0.00 C ATOM 1172 O GLY A 76 8.151 7.845 16.372 1.00 0.00 O ATOM 0 H GLY A 76 10.954 7.805 13.763 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.680 5.556 15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.496 6.945 15.914 1.00 0.00 H new ATOM 1176 N ALA A 77 7.651 7.364 14.288 1.00 0.00 N ATOM 1177 CA ALA A 77 6.322 8.029 14.399 1.00 0.00 C ATOM 1178 C ALA A 77 5.306 7.277 13.538 1.00 0.00 C ATOM 1179 O ALA A 77 4.111 7.447 13.681 1.00 0.00 O ATOM 1180 CB ALA A 77 6.431 9.475 13.913 1.00 0.00 C ATOM 0 H ALA A 77 7.855 6.954 13.377 1.00 0.00 H new ATOM 0 HA ALA A 77 5.997 8.021 15.439 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.459 9.961 13.995 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.157 10.011 14.525 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.756 9.486 12.873 1.00 0.00 H new ATOM 1186 N MET A 78 5.777 6.445 12.646 1.00 0.00 N ATOM 1187 CA MET A 78 4.851 5.673 11.767 1.00 0.00 C ATOM 1188 C MET A 78 5.356 4.231 11.651 1.00 0.00 C ATOM 1189 O MET A 78 5.179 3.577 10.642 1.00 0.00 O ATOM 1190 CB MET A 78 4.804 6.317 10.375 1.00 0.00 C ATOM 1191 CG MET A 78 5.463 7.697 10.419 1.00 0.00 C ATOM 1192 SD MET A 78 5.308 8.487 8.798 1.00 0.00 S ATOM 1193 CE MET A 78 4.657 10.072 9.379 1.00 0.00 C ATOM 0 H MET A 78 6.769 6.267 12.488 1.00 0.00 H new ATOM 0 HA MET A 78 3.849 5.677 12.196 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.317 5.682 9.653 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.770 6.408 10.041 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.991 8.314 11.183 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.514 7.602 10.691 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.484 10.729 8.526 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.718 9.908 9.907 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.376 10.535 10.054 1.00 0.00 H new ATOM 1203 N SER A 79 5.983 3.729 12.680 1.00 0.00 N ATOM 1204 CA SER A 79 6.498 2.332 12.632 1.00 0.00 C ATOM 1205 C SER A 79 5.330 1.345 12.681 1.00 0.00 C ATOM 1206 O SER A 79 5.485 0.206 13.076 1.00 0.00 O ATOM 1207 CB SER A 79 7.420 2.088 13.827 1.00 0.00 C ATOM 1208 OG SER A 79 8.693 2.662 13.565 1.00 0.00 O ATOM 0 H SER A 79 6.161 4.227 13.552 1.00 0.00 H new ATOM 0 HA SER A 79 7.053 2.186 11.705 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.990 2.526 14.728 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.522 1.018 14.010 1.00 0.00 H new ATOM 0 HG SER A 79 9.058 2.285 12.737 1.00 0.00 H new ATOM 1214 N ALA A 80 4.160 1.768 12.286 1.00 0.00 N ATOM 1215 CA ALA A 80 2.990 0.849 12.312 1.00 0.00 C ATOM 1216 C ALA A 80 2.013 1.234 11.201 1.00 0.00 C ATOM 1217 O ALA A 80 0.890 0.771 11.163 1.00 0.00 O ATOM 1218 CB ALA A 80 2.289 0.953 13.667 1.00 0.00 C ATOM 0 H ALA A 80 3.965 2.710 11.947 1.00 0.00 H new ATOM 0 HA ALA A 80 3.330 -0.175 12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.432 0.280 13.686 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.985 0.677 14.459 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.950 1.977 13.823 1.00 0.00 H new ATOM 1224 N LEU A 81 2.427 2.079 10.295 1.00 0.00 N ATOM 1225 CA LEU A 81 1.511 2.486 9.196 1.00 0.00 C ATOM 1226 C LEU A 81 1.254 1.261 8.283 1.00 0.00 C ATOM 1227 O LEU A 81 2.194 0.747 7.710 1.00 0.00 O ATOM 1228 CB LEU A 81 2.169 3.600 8.374 1.00 0.00 C ATOM 1229 CG LEU A 81 1.089 4.525 7.788 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.400 5.329 8.901 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.738 5.495 6.799 1.00 0.00 C ATOM 0 H LEU A 81 3.355 2.502 10.270 1.00 0.00 H new ATOM 0 HA LEU A 81 0.570 2.847 9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.850 4.174 9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.765 3.167 7.570 1.00 0.00 H new ATOM 0 HG LEU A 81 0.342 3.913 7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.360 5.977 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.069 4.644 9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.140 5.937 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.976 6.153 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.489 6.092 7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.212 4.932 5.995 1.00 0.00 H new ATOM 1243 N PRO A 82 0.014 0.799 8.164 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.284 -0.377 7.318 1.00 0.00 C ATOM 1245 C PRO A 82 0.114 -0.158 5.853 1.00 0.00 C ATOM 1246 O PRO A 82 -0.260 0.819 5.219 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.798 -0.583 7.430 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.350 0.498 8.388 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.174 1.376 8.835 1.00 0.00 C ATOM 0 HA PRO A 82 0.285 -1.244 7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.269 -0.502 6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.021 -1.580 7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.108 1.101 7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.830 0.035 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.325 2.416 8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.061 1.361 9.919 1.00 0.00 H new ATOM 1257 N VAL A 83 0.846 -1.097 5.313 1.00 0.00 N ATOM 1258 CA VAL A 83 1.265 -1.020 3.886 1.00 0.00 C ATOM 1259 C VAL A 83 0.689 -2.206 3.154 1.00 0.00 C ATOM 1260 O VAL A 83 1.072 -3.330 3.416 1.00 0.00 O ATOM 1261 CB VAL A 83 2.785 -1.116 3.762 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.153 -1.643 2.359 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.385 0.270 3.946 1.00 0.00 C ATOM 0 H VAL A 83 1.175 -1.925 5.809 1.00 0.00 H new ATOM 0 HA VAL A 83 0.917 -0.073 3.474 1.00 0.00 H new ATOM 0 HB VAL A 83 3.174 -1.795 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.237 -1.712 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.713 -2.630 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.769 -0.960 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.470 0.211 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.995 0.940 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.120 0.653 4.931 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.191 -1.989 2.227 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.724 -3.151 1.484 1.00 0.00 C ATOM 1275 C LEU A 84 0.068 -3.314 0.196 1.00 0.00 C ATOM 1276 O LEU A 84 -0.388 -2.989 -0.881 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.211 -2.966 1.184 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.764 -4.212 0.478 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.598 -5.441 1.378 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.249 -4.005 0.182 1.00 0.00 C ATOM 0 H LEU A 84 -0.558 -1.077 1.956 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.621 -4.050 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.758 -2.790 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.357 -2.087 0.556 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.216 -4.370 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.993 -6.320 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.541 -5.592 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.142 -5.286 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.646 -4.887 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.787 -3.845 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.374 -3.135 -0.462 1.00 0.00 H new ATOM 1292 N MET A 85 1.265 -3.816 0.305 1.00 0.00 N ATOM 1293 CA MET A 85 2.101 -4.005 -0.903 1.00 0.00 C ATOM 1294 C MET A 85 1.363 -4.902 -1.887 1.00 0.00 C ATOM 1295 O MET A 85 0.526 -5.698 -1.508 1.00 0.00 O ATOM 1296 CB MET A 85 3.432 -4.647 -0.512 1.00 0.00 C ATOM 1297 CG MET A 85 4.198 -5.027 -1.776 1.00 0.00 C ATOM 1298 SD MET A 85 3.741 -6.706 -2.276 1.00 0.00 S ATOM 1299 CE MET A 85 5.004 -7.579 -1.319 1.00 0.00 C ATOM 0 H MET A 85 1.698 -4.103 1.183 1.00 0.00 H new ATOM 0 HA MET A 85 2.297 -3.039 -1.369 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.021 -3.954 0.089 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.257 -5.531 0.101 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.972 -4.323 -2.577 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.271 -4.969 -1.595 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.809 -8.651 -1.352 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.987 -7.375 -1.743 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.977 -7.237 -0.284 1.00 0.00 H new ATOM 1309 N VAL A 86 1.658 -4.759 -3.149 1.00 0.00 N ATOM 1310 CA VAL A 86 0.969 -5.575 -4.184 1.00 0.00 C ATOM 1311 C VAL A 86 2.008 -6.242 -5.079 1.00 0.00 C ATOM 1312 O VAL A 86 2.858 -5.585 -5.647 1.00 0.00 O ATOM 1313 CB VAL A 86 0.085 -4.654 -5.019 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.677 -5.483 -6.040 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.912 -3.931 -4.109 1.00 0.00 C ATOM 0 H VAL A 86 2.353 -4.106 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 86 0.360 -6.346 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 86 0.707 -3.919 -5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.311 -4.829 -6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.030 -5.999 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.297 -6.216 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.542 -3.274 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.536 -4.664 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.369 -3.339 -3.372 1.00 0.00 H new ATOM 1325 N THR A 87 1.957 -7.543 -5.214 1.00 0.00 N ATOM 1326 CA THR A 87 2.966 -8.221 -6.080 1.00 0.00 C ATOM 1327 C THR A 87 2.375 -9.489 -6.698 1.00 0.00 C ATOM 1328 O THR A 87 1.886 -10.359 -6.010 1.00 0.00 O ATOM 1329 CB THR A 87 4.201 -8.580 -5.247 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.112 -9.316 -6.052 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.791 -9.423 -4.038 1.00 0.00 C ATOM 0 H THR A 87 1.273 -8.155 -4.770 1.00 0.00 H new ATOM 0 HA THR A 87 3.252 -7.542 -6.883 1.00 0.00 H new ATOM 0 HB THR A 87 4.676 -7.664 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.904 -9.546 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.675 -9.673 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.094 -8.857 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.311 -10.340 -4.380 1.00 0.00 H new ATOM 1339 N ALA A 88 2.432 -9.606 -7.996 1.00 0.00 N ATOM 1340 CA ALA A 88 1.887 -10.824 -8.657 1.00 0.00 C ATOM 1341 C ALA A 88 2.905 -11.959 -8.528 1.00 0.00 C ATOM 1342 O ALA A 88 2.554 -13.122 -8.520 1.00 0.00 O ATOM 1343 CB ALA A 88 1.630 -10.532 -10.136 1.00 0.00 C ATOM 0 H ALA A 88 2.832 -8.911 -8.627 1.00 0.00 H new ATOM 0 HA ALA A 88 0.950 -11.114 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.231 -11.424 -10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.911 -9.718 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.565 -10.246 -10.618 1.00 0.00 H new ATOM 1349 N GLU A 89 4.165 -11.623 -8.427 1.00 0.00 N ATOM 1350 CA GLU A 89 5.221 -12.669 -8.295 1.00 0.00 C ATOM 1351 C GLU A 89 5.679 -12.749 -6.837 1.00 0.00 C ATOM 1352 O GLU A 89 6.851 -12.900 -6.552 1.00 0.00 O ATOM 1353 CB GLU A 89 6.411 -12.302 -9.185 1.00 0.00 C ATOM 1354 CG GLU A 89 7.035 -13.575 -9.757 1.00 0.00 C ATOM 1355 CD GLU A 89 7.466 -14.493 -8.611 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.597 -15.090 -7.998 1.00 0.00 O ATOM 1357 OE2 GLU A 89 8.658 -14.583 -8.367 1.00 0.00 O ATOM 0 H GLU A 89 4.509 -10.663 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 89 4.820 -13.635 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.085 -11.649 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.152 -11.749 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.318 -14.088 -10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.895 -13.324 -10.378 1.00 0.00 H new ATOM 1364 N ALA A 90 4.764 -12.646 -5.912 1.00 0.00 N ATOM 1365 CA ALA A 90 5.144 -12.712 -4.472 1.00 0.00 C ATOM 1366 C ALA A 90 6.098 -13.888 -4.245 1.00 0.00 C ATOM 1367 O ALA A 90 5.697 -15.036 -4.266 1.00 0.00 O ATOM 1368 CB ALA A 90 3.886 -12.906 -3.622 1.00 0.00 C ATOM 0 H ALA A 90 3.768 -12.519 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 90 5.639 -11.784 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.162 -12.954 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.207 -12.068 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.392 -13.834 -3.910 1.00 0.00 H new ATOM 1374 N LYS A 91 7.356 -13.611 -4.025 1.00 0.00 N ATOM 1375 CA LYS A 91 8.337 -14.709 -3.795 1.00 0.00 C ATOM 1376 C LYS A 91 8.544 -14.905 -2.291 1.00 0.00 C ATOM 1377 O LYS A 91 7.625 -14.762 -1.508 1.00 0.00 O ATOM 1378 CB LYS A 91 9.672 -14.349 -4.451 1.00 0.00 C ATOM 1379 CG LYS A 91 10.462 -15.627 -4.737 1.00 0.00 C ATOM 1380 CD LYS A 91 10.108 -16.146 -6.133 1.00 0.00 C ATOM 1381 CE LYS A 91 10.701 -17.543 -6.323 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.245 -18.102 -7.627 1.00 0.00 N ATOM 0 H LYS A 91 7.746 -12.669 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 91 7.955 -15.632 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.498 -13.802 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.246 -13.693 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.532 -15.428 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.233 -16.384 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.026 -16.179 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.495 -15.468 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.790 -17.495 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.391 -18.196 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.648 -19.052 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.207 -18.162 -7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.562 -17.483 -8.400 1.00 0.00 H new ATOM 1396 N LYS A 92 9.743 -15.235 -1.885 1.00 0.00 N ATOM 1397 CA LYS A 92 10.020 -15.449 -0.434 1.00 0.00 C ATOM 1398 C LYS A 92 10.777 -14.244 0.131 1.00 0.00 C ATOM 1399 O LYS A 92 10.204 -13.380 0.765 1.00 0.00 O ATOM 1400 CB LYS A 92 10.874 -16.707 -0.262 1.00 0.00 C ATOM 1401 CG LYS A 92 10.127 -17.915 -0.831 1.00 0.00 C ATOM 1402 CD LYS A 92 10.769 -19.204 -0.313 1.00 0.00 C ATOM 1403 CE LYS A 92 12.238 -19.251 -0.735 1.00 0.00 C ATOM 1404 NZ LYS A 92 13.083 -18.654 0.337 1.00 0.00 N ATOM 0 H LYS A 92 10.546 -15.366 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 92 9.077 -15.567 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.829 -16.583 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.095 -16.867 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.077 -17.877 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.157 -17.894 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.691 -19.250 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.239 -20.071 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.541 -20.281 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.377 -18.705 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.495 -17.761 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.498 -18.468 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.846 -19.315 0.586 1.00 0.00 H new ATOM 1418 N GLU A 93 12.063 -14.187 -0.086 1.00 0.00 N ATOM 1419 CA GLU A 93 12.867 -13.051 0.441 1.00 0.00 C ATOM 1420 C GLU A 93 12.145 -11.729 0.171 1.00 0.00 C ATOM 1421 O GLU A 93 12.457 -10.711 0.756 1.00 0.00 O ATOM 1422 CB GLU A 93 14.233 -13.031 -0.247 1.00 0.00 C ATOM 1423 CG GLU A 93 15.173 -14.015 0.452 1.00 0.00 C ATOM 1424 CD GLU A 93 14.586 -15.426 0.377 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.142 -15.804 -0.695 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.591 -16.103 1.391 1.00 0.00 O ATOM 0 H GLU A 93 12.593 -14.884 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 93 12.998 -13.176 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.126 -13.299 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.653 -12.026 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.155 -13.993 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.313 -13.723 1.493 1.00 0.00 H new ATOM 1433 N ASN A 94 11.186 -11.732 -0.713 1.00 0.00 N ATOM 1434 CA ASN A 94 10.454 -10.471 -1.018 1.00 0.00 C ATOM 1435 C ASN A 94 9.369 -10.236 0.035 1.00 0.00 C ATOM 1436 O ASN A 94 9.099 -9.118 0.423 1.00 0.00 O ATOM 1437 CB ASN A 94 9.808 -10.578 -2.401 1.00 0.00 C ATOM 1438 CG ASN A 94 10.765 -10.016 -3.455 1.00 0.00 C ATOM 1439 OD1 ASN A 94 10.338 -9.572 -4.502 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.049 -10.018 -3.222 1.00 0.00 N ATOM 0 H ASN A 94 10.878 -12.551 -1.236 1.00 0.00 H new ATOM 0 HA ASN A 94 11.154 -9.636 -1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.573 -11.619 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.867 -10.028 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.694 -9.647 -3.919 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.407 -10.391 -2.343 1.00 0.00 H new ATOM 1447 N ILE A 95 8.740 -11.282 0.495 1.00 0.00 N ATOM 1448 CA ILE A 95 7.669 -11.118 1.519 1.00 0.00 C ATOM 1449 C ILE A 95 8.279 -11.190 2.922 1.00 0.00 C ATOM 1450 O ILE A 95 7.626 -10.914 3.908 1.00 0.00 O ATOM 1451 CB ILE A 95 6.629 -12.233 1.353 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.191 -12.306 -0.114 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.409 -11.946 2.236 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.208 -13.465 -0.301 1.00 0.00 C ATOM 0 H ILE A 95 8.921 -12.243 0.206 1.00 0.00 H new ATOM 0 HA ILE A 95 7.188 -10.149 1.386 1.00 0.00 H new ATOM 0 HB ILE A 95 7.071 -13.183 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.723 -11.368 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.060 -12.446 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.675 -12.742 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.719 -11.897 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.965 -10.994 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.898 -13.515 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.692 -14.401 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.333 -13.306 0.330 1.00 0.00 H new ATOM 1466 N ILE A 96 9.526 -11.564 3.026 1.00 0.00 N ATOM 1467 CA ILE A 96 10.162 -11.657 4.373 1.00 0.00 C ATOM 1468 C ILE A 96 10.799 -10.318 4.744 1.00 0.00 C ATOM 1469 O ILE A 96 10.357 -9.640 5.649 1.00 0.00 O ATOM 1470 CB ILE A 96 11.242 -12.736 4.365 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.584 -14.116 4.315 1.00 0.00 C ATOM 1472 CG2 ILE A 96 12.080 -12.615 5.639 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.598 -15.146 3.812 1.00 0.00 C ATOM 0 H ILE A 96 10.130 -11.808 2.241 1.00 0.00 H new ATOM 0 HA ILE A 96 9.395 -11.912 5.104 1.00 0.00 H new ATOM 0 HB ILE A 96 11.882 -12.610 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.226 -14.396 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.716 -14.093 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.854 -13.383 5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.546 -11.630 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.438 -12.745 6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.130 -16.130 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.935 -14.868 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.453 -15.175 4.488 1.00 0.00 H new ATOM 1485 N ALA A 97 11.842 -9.942 4.056 1.00 0.00 N ATOM 1486 CA ALA A 97 12.524 -8.652 4.365 1.00 0.00 C ATOM 1487 C ALA A 97 11.477 -7.561 4.572 1.00 0.00 C ATOM 1488 O ALA A 97 11.497 -6.842 5.551 1.00 0.00 O ATOM 1489 CB ALA A 97 13.445 -8.266 3.205 1.00 0.00 C ATOM 0 H ALA A 97 12.253 -10.475 3.290 1.00 0.00 H new ATOM 0 HA ALA A 97 13.117 -8.764 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.942 -7.323 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.193 -9.045 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.856 -8.155 2.294 1.00 0.00 H new ATOM 1495 N ALA A 98 10.558 -7.441 3.663 1.00 0.00 N ATOM 1496 CA ALA A 98 9.502 -6.407 3.811 1.00 0.00 C ATOM 1497 C ALA A 98 8.746 -6.643 5.121 1.00 0.00 C ATOM 1498 O ALA A 98 8.493 -5.727 5.875 1.00 0.00 O ATOM 1499 CB ALA A 98 8.528 -6.503 2.635 1.00 0.00 C ATOM 0 H ALA A 98 10.491 -8.014 2.822 1.00 0.00 H new ATOM 0 HA ALA A 98 9.957 -5.417 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.752 -5.745 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.067 -6.341 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.069 -7.492 2.622 1.00 0.00 H new ATOM 1505 N ALA A 99 8.368 -7.861 5.391 1.00 0.00 N ATOM 1506 CA ALA A 99 7.617 -8.147 6.643 1.00 0.00 C ATOM 1507 C ALA A 99 8.317 -7.489 7.833 1.00 0.00 C ATOM 1508 O ALA A 99 7.704 -6.797 8.620 1.00 0.00 O ATOM 1509 CB ALA A 99 7.552 -9.659 6.866 1.00 0.00 C ATOM 0 H ALA A 99 8.547 -8.671 4.798 1.00 0.00 H new ATOM 0 HA ALA A 99 6.608 -7.746 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.002 -9.868 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.045 -10.130 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.563 -10.058 6.950 1.00 0.00 H new ATOM 1515 N GLN A 100 9.596 -7.701 7.974 1.00 0.00 N ATOM 1516 CA GLN A 100 10.329 -7.089 9.117 1.00 0.00 C ATOM 1517 C GLN A 100 10.113 -5.574 9.113 1.00 0.00 C ATOM 1518 O GLN A 100 10.226 -4.919 10.131 1.00 0.00 O ATOM 1519 CB GLN A 100 11.822 -7.394 8.983 1.00 0.00 C ATOM 1520 CG GLN A 100 12.083 -8.841 9.405 1.00 0.00 C ATOM 1521 CD GLN A 100 13.170 -9.445 8.513 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.848 -10.370 7.651 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 14.322 -9.072 8.601 1.00 0.00 N flip ATOM 0 H GLN A 100 10.165 -8.271 7.348 1.00 0.00 H new ATOM 0 HA GLN A 100 9.955 -7.503 10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.145 -7.239 7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.401 -6.712 9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.394 -8.876 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.166 -9.425 9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.574 -8.349 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.038 -9.482 8.001 1.00 0.00 H new ATOM 1532 N ALA A 101 9.811 -5.011 7.976 1.00 0.00 N ATOM 1533 CA ALA A 101 9.597 -3.535 7.910 1.00 0.00 C ATOM 1534 C ALA A 101 8.153 -3.186 8.299 1.00 0.00 C ATOM 1535 O ALA A 101 7.791 -3.212 9.459 1.00 0.00 O ATOM 1536 CB ALA A 101 9.881 -3.034 6.490 1.00 0.00 C ATOM 0 H ALA A 101 9.703 -5.506 7.091 1.00 0.00 H new ATOM 0 HA ALA A 101 10.278 -3.051 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.724 -1.956 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.913 -3.261 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.208 -3.528 5.789 1.00 0.00 H new ATOM 1542 N GLY A 102 7.331 -2.852 7.337 1.00 0.00 N ATOM 1543 CA GLY A 102 5.918 -2.489 7.634 1.00 0.00 C ATOM 1544 C GLY A 102 5.000 -3.050 6.543 1.00 0.00 C ATOM 1545 O GLY A 102 3.816 -2.783 6.511 1.00 0.00 O ATOM 0 H GLY A 102 7.584 -2.816 6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.627 -2.886 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.815 -1.405 7.688 1.00 0.00 H new ATOM 1549 N ALA A 103 5.553 -3.844 5.670 1.00 0.00 N ATOM 1550 CA ALA A 103 4.769 -4.482 4.562 1.00 0.00 C ATOM 1551 C ALA A 103 3.608 -5.305 5.128 1.00 0.00 C ATOM 1552 O ALA A 103 3.016 -6.107 4.435 1.00 0.00 O ATOM 1553 CB ALA A 103 5.686 -5.392 3.755 1.00 0.00 C ATOM 0 H ALA A 103 6.544 -4.087 5.674 1.00 0.00 H new ATOM 0 HA ALA A 103 4.364 -3.698 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.119 -5.857 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.502 -4.805 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.094 -6.166 4.405 1.00 0.00 H new ATOM 1559 N SER A 104 3.342 -5.153 6.396 1.00 0.00 N ATOM 1560 CA SER A 104 2.276 -5.953 7.088 1.00 0.00 C ATOM 1561 C SER A 104 1.144 -6.357 6.135 1.00 0.00 C ATOM 1562 O SER A 104 0.587 -7.429 6.266 1.00 0.00 O ATOM 1563 CB SER A 104 1.680 -5.108 8.215 1.00 0.00 C ATOM 1564 OG SER A 104 2.323 -5.435 9.440 1.00 0.00 O ATOM 0 H SER A 104 3.829 -4.492 7.002 1.00 0.00 H new ATOM 0 HA SER A 104 2.739 -6.863 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.807 -4.048 7.996 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.608 -5.291 8.294 1.00 0.00 H new ATOM 0 HG SER A 104 1.944 -4.893 10.163 1.00 0.00 H new ATOM 1570 N GLY A 105 0.809 -5.537 5.176 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.277 -5.913 4.224 1.00 0.00 C ATOM 1572 C GLY A 105 0.345 -6.336 2.888 1.00 0.00 C ATOM 1573 O GLY A 105 1.116 -5.608 2.296 1.00 0.00 O ATOM 0 H GLY A 105 1.238 -4.626 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.871 -6.728 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.952 -5.071 4.074 1.00 0.00 H new ATOM 1577 N TYR A 106 0.015 -7.509 2.413 1.00 0.00 N ATOM 1578 CA TYR A 106 0.585 -7.976 1.113 1.00 0.00 C ATOM 1579 C TYR A 106 -0.466 -8.779 0.357 1.00 0.00 C ATOM 1580 O TYR A 106 -0.816 -9.879 0.737 1.00 0.00 O ATOM 1581 CB TYR A 106 1.811 -8.860 1.358 1.00 0.00 C ATOM 1582 CG TYR A 106 1.769 -10.073 0.441 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.821 -9.914 -0.956 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.689 -11.360 0.990 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.794 -11.043 -1.788 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.660 -12.482 0.155 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.713 -12.325 -1.232 1.00 0.00 C ATOM 1588 OH TYR A 106 1.693 -13.434 -2.052 1.00 0.00 O ATOM 0 H TYR A 106 -0.623 -8.163 2.867 1.00 0.00 H new ATOM 0 HA TYR A 106 0.882 -7.106 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.722 -8.290 1.179 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.836 -9.182 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.882 -8.925 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.650 -11.486 2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.836 -10.923 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.597 -13.471 0.583 1.00 0.00 H new ATOM 0 HH TYR A 106 1.635 -14.245 -1.504 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.954 -8.238 -0.721 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.969 -8.956 -1.535 1.00 0.00 C ATOM 1600 C VAL A 107 -1.301 -9.425 -2.821 1.00 0.00 C ATOM 1601 O VAL A 107 -0.583 -8.681 -3.461 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.112 -8.008 -1.883 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.618 -6.981 -2.901 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.269 -8.810 -2.481 1.00 0.00 C ATOM 0 H VAL A 107 -0.690 -7.319 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.365 -9.804 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.455 -7.495 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.430 -6.300 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.790 -6.415 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.281 -7.494 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.088 -8.136 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.930 -9.320 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.614 -9.547 -1.756 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.527 -10.645 -3.214 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.895 -11.132 -4.465 1.00 0.00 C ATOM 1616 C VAL A 108 -1.827 -10.830 -5.648 1.00 0.00 C ATOM 1617 O VAL A 108 -2.713 -11.602 -5.963 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.663 -12.640 -4.373 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.997 -13.356 -4.152 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.030 -13.135 -5.676 1.00 0.00 C ATOM 0 H VAL A 108 -2.117 -11.320 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 108 0.062 -10.630 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 108 0.003 -12.853 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.827 -14.431 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.450 -13.004 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.666 -13.144 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.137 -14.210 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.698 -12.919 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.922 -12.629 -5.833 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.646 -9.711 -6.295 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.530 -9.352 -7.446 1.00 0.00 C ATOM 1632 C LYS A 109 -2.538 -10.496 -8.472 1.00 0.00 C ATOM 1633 O LYS A 109 -1.625 -11.298 -8.489 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.991 -8.053 -8.079 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.410 -8.302 -9.483 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.789 -7.003 -10.004 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.227 -7.230 -11.410 1.00 0.00 C ATOM 1638 NZ LYS A 109 -0.713 -6.152 -12.318 1.00 0.00 N ATOM 0 H LYS A 109 -0.922 -9.026 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.555 -9.196 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.794 -7.319 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.220 -7.628 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.658 -9.090 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.194 -8.642 -10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.539 -6.212 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.004 -6.673 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.863 -7.233 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.539 -8.205 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.332 -6.305 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.752 -6.170 -12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.394 -5.228 -11.962 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.537 -10.527 -9.340 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.674 -9.568 -9.358 1.00 0.00 C ATOM 1654 C PRO A 110 -5.670 -9.886 -8.234 1.00 0.00 C ATOM 1655 O PRO A 110 -5.674 -10.973 -7.691 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.364 -9.818 -10.708 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.604 -10.966 -11.419 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.569 -11.517 -10.427 1.00 0.00 C ATOM 0 HA PRO A 110 -4.336 -8.541 -9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.410 -10.086 -10.559 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.350 -8.915 -11.318 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.295 -11.750 -11.727 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.114 -10.600 -12.321 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.857 -12.502 -10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.590 -11.625 -10.894 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.530 -8.957 -7.899 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.537 -9.231 -6.832 1.00 0.00 C ATOM 1668 C PHE A 111 -8.838 -8.514 -7.135 1.00 0.00 C ATOM 1669 O PHE A 111 -8.879 -7.515 -7.827 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.054 -8.740 -5.459 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.546 -7.319 -5.546 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.442 -6.242 -5.667 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.171 -7.076 -5.513 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.949 -4.937 -5.760 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.682 -5.770 -5.601 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.570 -4.701 -5.727 1.00 0.00 C ATOM 0 H PHE A 111 -6.578 -8.027 -8.316 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.682 -10.311 -6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.871 -8.796 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.262 -9.393 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.507 -6.422 -5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.482 -7.902 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.635 -4.108 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.618 -5.588 -5.572 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.193 -3.691 -5.799 1.00 0.00 H new ATOM 1686 N THR A 112 -9.892 -8.998 -6.558 1.00 0.00 N ATOM 1687 CA THR A 112 -11.213 -8.345 -6.719 1.00 0.00 C ATOM 1688 C THR A 112 -11.456 -7.558 -5.437 1.00 0.00 C ATOM 1689 O THR A 112 -10.909 -7.885 -4.401 1.00 0.00 O ATOM 1690 CB THR A 112 -12.308 -9.404 -6.894 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.728 -10.609 -7.377 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.351 -8.902 -7.895 1.00 0.00 C ATOM 0 H THR A 112 -9.896 -9.832 -5.971 1.00 0.00 H new ATOM 0 HA THR A 112 -11.231 -7.699 -7.597 1.00 0.00 H new ATOM 0 HB THR A 112 -12.789 -9.591 -5.934 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.427 -11.287 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.129 -9.656 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.796 -7.979 -7.524 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.872 -8.714 -8.856 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.241 -6.524 -5.473 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.463 -5.746 -4.223 1.00 0.00 C ATOM 1702 C ALA A 113 -12.827 -6.701 -3.091 1.00 0.00 C ATOM 1703 O ALA A 113 -12.827 -6.331 -1.937 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.592 -4.734 -4.430 1.00 0.00 C ATOM 0 H ALA A 113 -12.734 -6.185 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.550 -5.208 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.748 -4.169 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.324 -4.050 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.510 -5.261 -4.692 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.120 -7.931 -3.404 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.458 -8.901 -2.331 1.00 0.00 C ATOM 1712 C ALA A 114 -12.162 -9.421 -1.717 1.00 0.00 C ATOM 1713 O ALA A 114 -12.055 -9.586 -0.518 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.263 -10.064 -2.915 1.00 0.00 C ATOM 0 H ALA A 114 -13.140 -8.304 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.060 -8.412 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.507 -10.771 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.183 -9.683 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.673 -10.567 -3.681 1.00 0.00 H new ATOM 1720 N THR A 115 -11.165 -9.661 -2.524 1.00 0.00 N ATOM 1721 CA THR A 115 -9.876 -10.143 -1.965 1.00 0.00 C ATOM 1722 C THR A 115 -9.202 -8.973 -1.249 1.00 0.00 C ATOM 1723 O THR A 115 -8.945 -9.040 -0.064 1.00 0.00 O ATOM 1724 CB THR A 115 -8.983 -10.669 -3.086 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.553 -10.324 -4.336 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.873 -12.190 -2.982 1.00 0.00 C ATOM 0 H THR A 115 -11.188 -9.545 -3.537 1.00 0.00 H new ATOM 0 HA THR A 115 -10.049 -10.958 -1.263 1.00 0.00 H new ATOM 0 HB THR A 115 -7.990 -10.228 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.594 -11.119 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.235 -12.564 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.440 -12.458 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.865 -12.633 -3.071 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.928 -7.884 -1.934 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.300 -6.737 -1.225 1.00 0.00 C ATOM 1736 C LEU A 116 -9.114 -6.432 0.036 1.00 0.00 C ATOM 1737 O LEU A 116 -8.571 -6.092 1.068 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.291 -5.506 -2.128 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.002 -4.707 -1.878 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.791 -5.460 -2.436 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.088 -3.342 -2.563 1.00 0.00 C ATOM 0 H LEU A 116 -9.109 -7.748 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.274 -6.991 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.350 -5.807 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.163 -4.885 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.887 -4.575 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.886 -4.881 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.708 -6.430 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.916 -5.605 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.170 -2.784 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.220 -3.481 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.936 -2.787 -2.162 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.418 -6.551 -0.036 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.257 -6.266 1.158 1.00 0.00 C ATOM 1755 C GLU A 117 -10.890 -7.231 2.287 1.00 0.00 C ATOM 1756 O GLU A 117 -10.602 -6.826 3.396 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.736 -6.442 0.803 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.555 -6.607 2.084 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.993 -6.150 1.831 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.473 -6.351 0.727 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.592 -5.607 2.746 1.00 0.00 O ATOM 0 H GLU A 117 -10.932 -6.833 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.080 -5.241 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.091 -5.578 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.865 -7.314 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.544 -7.649 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.112 -6.021 2.890 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.903 -8.503 2.011 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.562 -9.503 3.062 1.00 0.00 C ATOM 1770 C GLU A 118 -9.186 -9.185 3.648 1.00 0.00 C ATOM 1771 O GLU A 118 -9.043 -8.940 4.829 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.542 -10.904 2.445 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.107 -11.922 3.503 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.866 -13.233 3.292 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.086 -13.198 3.306 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -10.216 -14.251 3.121 1.00 0.00 O ATOM 0 H GLU A 118 -11.136 -8.897 1.099 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.310 -9.464 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.531 -11.159 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.858 -10.930 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.033 -12.096 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.304 -11.532 4.501 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.168 -9.189 2.831 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.801 -8.891 3.342 1.00 0.00 C ATOM 1785 C LYS A 119 -6.845 -7.640 4.222 1.00 0.00 C ATOM 1786 O LYS A 119 -6.210 -7.573 5.258 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.855 -8.646 2.162 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.184 -9.960 1.754 1.00 0.00 C ATOM 1789 CD LYS A 119 -6.248 -10.976 1.334 1.00 0.00 C ATOM 1790 CE LYS A 119 -5.721 -11.819 0.170 1.00 0.00 C ATOM 1791 NZ LYS A 119 -6.717 -12.874 -0.168 1.00 0.00 N ATOM 0 H LYS A 119 -8.225 -9.386 1.832 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.443 -9.737 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.409 -8.233 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.099 -7.911 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.490 -9.785 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.600 -10.354 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.503 -11.619 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.162 -10.460 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.537 -11.186 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.769 -12.276 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.586 -13.171 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.583 -13.692 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.678 -12.496 -0.045 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.582 -6.644 3.817 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.653 -5.400 4.630 1.00 0.00 C ATOM 1807 C LEU A 120 -8.335 -5.693 5.969 1.00 0.00 C ATOM 1808 O LEU A 120 -7.740 -5.565 7.020 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.455 -4.332 3.875 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.221 -2.965 4.526 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.396 -2.082 3.586 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.561 -2.279 4.811 1.00 0.00 C ATOM 0 H LEU A 120 -8.136 -6.638 2.961 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.642 -5.036 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.151 -4.306 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.517 -4.579 3.893 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.684 -3.110 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.231 -1.110 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.435 -2.558 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.934 -1.948 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.382 -1.308 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.105 -2.141 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.151 -2.899 5.486 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.582 -6.081 5.939 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.304 -6.376 7.210 1.00 0.00 C ATOM 1826 C ASN A 121 -9.427 -7.248 8.110 1.00 0.00 C ATOM 1827 O ASN A 121 -9.520 -7.198 9.320 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.606 -7.118 6.899 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.786 -6.357 7.508 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.806 -6.183 6.871 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.692 -5.895 8.725 1.00 0.00 N ATOM 0 H ASN A 121 -10.132 -6.206 5.089 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.530 -5.440 7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.736 -7.209 5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.565 -8.130 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.474 -5.389 9.140 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.836 -6.040 9.261 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.575 -8.047 7.528 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.695 -8.920 8.353 1.00 0.00 C ATOM 1840 C LYS A 122 -6.619 -8.064 9.026 1.00 0.00 C ATOM 1841 O LYS A 122 -6.193 -8.338 10.130 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.019 -9.960 7.449 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.241 -11.379 7.997 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.459 -11.570 9.304 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.001 -11.933 9.003 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.107 -11.209 9.952 1.00 0.00 N ATOM 0 H LYS A 122 -8.451 -8.132 6.519 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.291 -9.425 9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.421 -9.888 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.951 -9.753 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.304 -11.547 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.919 -12.116 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.498 -10.656 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.921 -12.357 9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.855 -13.009 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.752 -11.666 7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.116 -11.453 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.240 -10.184 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.340 -11.485 10.927 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.170 -7.037 8.362 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.111 -6.169 8.953 1.00 0.00 C ATOM 1862 C ILE A 123 -5.691 -5.297 10.071 1.00 0.00 C ATOM 1863 O ILE A 123 -5.061 -5.083 11.087 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.534 -5.261 7.866 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.591 -6.078 6.973 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.762 -4.112 8.529 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.129 -5.238 5.775 1.00 0.00 C ATOM 0 H ILE A 123 -6.490 -6.759 7.434 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.330 -6.807 9.367 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.339 -4.850 7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.727 -6.406 7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.099 -6.976 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.348 -3.460 7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.437 -3.539 9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.952 -4.519 9.134 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.461 -5.831 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.996 -4.932 5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.602 -4.354 6.133 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.870 -4.768 9.889 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.454 -3.891 10.938 1.00 0.00 C ATOM 1881 C PHE A 124 -7.863 -4.711 12.160 1.00 0.00 C ATOM 1882 O PHE A 124 -8.353 -4.178 13.135 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.663 -3.154 10.368 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.163 -1.978 9.572 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.767 -0.805 10.227 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.073 -2.068 8.181 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.281 0.275 9.485 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.589 -0.983 7.444 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.195 0.180 8.093 1.00 0.00 C ATOM 0 H PHE A 124 -7.451 -4.905 9.062 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.703 -3.166 11.252 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.251 -3.819 9.735 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.318 -2.818 11.172 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.837 -0.735 11.302 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.376 -2.973 7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.973 1.181 9.986 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.521 -1.049 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.820 1.015 7.519 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.648 -5.996 12.135 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.009 -6.817 13.322 1.00 0.00 C ATOM 1901 C GLU A 125 -6.969 -6.560 14.409 1.00 0.00 C ATOM 1902 O GLU A 125 -7.277 -6.509 15.584 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.019 -8.301 12.948 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.262 -8.968 13.539 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.263 -10.456 13.181 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.192 -10.990 12.946 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.337 -11.035 13.148 1.00 0.00 O ATOM 0 H GLU A 125 -7.242 -6.509 11.352 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.003 -6.547 13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.014 -8.414 11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.119 -8.788 13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.274 -8.844 14.622 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.162 -8.490 13.153 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.740 -6.370 14.017 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.674 -6.083 15.013 1.00 0.00 C ATOM 1916 C LYS A 126 -4.603 -4.569 15.207 1.00 0.00 C ATOM 1917 O LYS A 126 -4.134 -4.078 16.214 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.330 -6.602 14.492 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.300 -6.590 15.623 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.327 -7.933 16.354 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.338 -7.899 17.521 1.00 0.00 C ATOM 1922 NZ LYS A 126 -2.054 -7.497 18.765 1.00 0.00 N ATOM 0 H LYS A 126 -5.428 -6.402 13.046 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.896 -6.575 15.960 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.446 -7.614 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.985 -5.981 13.666 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -1.304 -6.403 15.220 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.519 -5.781 16.320 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.332 -8.139 16.721 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.068 -8.738 15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.880 -8.879 17.653 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.532 -7.196 17.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.383 -7.473 19.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.471 -6.553 18.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.808 -8.184 18.969 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.080 -3.827 14.243 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.059 -2.343 14.359 1.00 0.00 C ATOM 1938 C LEU A 127 -6.287 -1.887 15.147 1.00 0.00 C ATOM 1939 O LEU A 127 -6.252 -0.893 15.844 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.085 -1.716 12.960 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.194 -0.473 12.940 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -2.731 -0.894 12.791 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -4.591 0.416 11.759 1.00 0.00 C ATOM 0 H LEU A 127 -5.484 -4.188 13.379 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.152 -2.028 14.875 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.737 -2.437 12.220 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.106 -1.449 12.689 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.319 0.079 13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.097 -0.008 12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.448 -1.529 13.630 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.604 -1.446 11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.958 1.303 11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.465 -0.138 10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.633 0.717 11.864 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.374 -2.609 15.045 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.604 -2.217 15.791 1.00 0.00 C ATOM 1957 C GLY A 128 -8.845 -0.715 15.631 1.00 0.00 C ATOM 1958 O GLY A 128 -8.426 0.081 16.449 1.00 0.00 O ATOM 0 H GLY A 128 -7.461 -3.452 14.477 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.462 -2.775 15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.497 -2.468 16.846 1.00 0.00 H new ATOM 1962 N MET A 129 -9.515 -0.318 14.586 1.00 0.00 N ATOM 1963 CA MET A 129 -9.778 1.134 14.378 1.00 0.00 C ATOM 1964 C MET A 129 -11.098 1.514 15.051 1.00 0.00 C ATOM 1965 O MET A 129 -11.384 2.698 15.122 1.00 0.00 O ATOM 1966 CB MET A 129 -9.870 1.426 12.879 1.00 0.00 C ATOM 1967 CG MET A 129 -8.635 2.212 12.431 1.00 0.00 C ATOM 1968 SD MET A 129 -8.648 3.848 13.207 1.00 0.00 S ATOM 1969 CE MET A 129 -7.382 4.607 12.159 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.803 0.616 15.480 1.00 0.00 O ATOM 0 H MET A 129 -9.892 -0.935 13.867 1.00 0.00 H new ATOM 0 HA MET A 129 -8.966 1.716 14.813 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.942 0.493 12.320 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.774 1.996 12.664 1.00 0.00 H new ATOM 0 HG2 MET A 129 -7.728 1.674 12.707 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.628 2.312 11.346 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.226 5.641 12.468 1.00 0.00 H new ATOM 0 HE2 MET A 129 -6.448 4.054 12.258 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.709 4.584 11.119 1.00 0.00 H new