USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 52 LYS NZ :NH3+ -146:sc= 0.1 (180deg=-0.214) USER MOD Set 1.2: C 93 GLN : amide:sc= 0.0232! K(o=0.12!,f=-1.7) USER MOD Set 2.1: C 77 ASN :FLIP amide:sc= -0.247 F(o=-7.4!,f=-3.9) USER MOD Set 2.2: C 80 ASN :FLIP amide:sc= -3.68 F(o=-4.6!,f=-3.9) USER MOD Set 3.1: C 71 THR OG1 : rot -137:sc= 0.948 USER MOD Set 3.2: C 74 ASN : amide:sc= 1.15 X(o=2.1,f=2.2) USER MOD Set 4.1: C 62 LYS NZ :NH3+ 153:sc= 1.13 (180deg=-0.333) USER MOD Set 4.2: C 65 THR OG1 : rot -12:sc= 0.359 USER MOD Set 5.1: C 26 LYS NZ :NH3+ 146:sc= 1.83 (180deg=1.09) USER MOD Set 5.2: C 42 ASN : amide:sc= -0.367 K(o=1.5,f=-8!) USER MOD Set 6.1: C 21 ASN : amide:sc= -0.989 K(o=-0.99,f=-3!) USER MOD Set 6.2: C 28 SER OG : rot 180:sc= 0 USER MOD Set 7.1: C 14 ASN : amide:sc= 0 K(o=-0.99,f=-4.1) USER MOD Set 7.2: C 17 ASN : amide:sc= -0.991! C(o=-0.99!,f=-9.6!) USER MOD Single : C 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 3 GLN : amide:sc= 1.11 K(o=1.1,f=-0.012) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 GLN : amide:sc= 0.96 K(o=0.96,f=-0.5) USER MOD Single : C 10 MET CE :methyl -162:sc= -0.0801 (180deg=-0.544) USER MOD Single : C 11 ASN : amide:sc= -0.0646 K(o=-0.065,f=-2.6!) USER MOD Single : C 12 SER OG : rot -161:sc= 1.3 USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ -170:sc= -1.47! (180deg=-2.25!) USER MOD Single : C 24 LYS NZ :NH3+ -163:sc= -0.0889 (180deg=-0.407) USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl -170:sc= -3.31! (180deg=-3.56) USER MOD Single : C 32 ASN : amide:sc= 0.0118 X(o=0.012,f=0) USER MOD Single : C 34 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.4) USER MOD Single : C 35 GLN : amide:sc= -0.914 K(o=-0.91,f=-4!) USER MOD Single : C 37 LYS NZ :NH3+ -166:sc= -0.007 (180deg=-0.129) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.724 USER MOD Single : C 40 SER OG : rot 37:sc= -0.58 USER MOD Single : C 41 SER OG : rot 180:sc= 0 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 53 ASN :FLIP amide:sc= -0.996 F(o=-2,f=-1) USER MOD Single : C 59 ASN : amide:sc= -0.826 K(o=-0.83,f=-5.3!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= -1.39! C(o=-1.4!,f=-12!) USER MOD Single : C 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 70 SER OG : rot 180:sc= 0 USER MOD Single : C 76 SER OG : rot 76:sc= 0.981 USER MOD Single : C 81 LYS NZ :NH3+ 154:sc= 0.00258 (180deg=0) USER MOD Single : C 83 ASN : amide:sc= -4.12! C(o=-4.1!,f=-3.9!) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot 114:sc= 0.0002 USER MOD Single : C 92 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -15.257 -6.322 -12.835 1.00 0.00 N ATOM 2 CA ASP C 1 -14.598 -6.585 -11.533 1.00 0.00 C ATOM 3 C ASP C 1 -15.610 -6.592 -10.392 1.00 0.00 C ATOM 4 O ASP C 1 -15.702 -7.566 -9.644 1.00 0.00 O ATOM 5 CB ASP C 1 -13.518 -5.539 -11.265 1.00 0.00 C ATOM 6 CG ASP C 1 -12.911 -5.679 -9.891 1.00 0.00 C ATOM 7 OD1 ASP C 1 -12.041 -6.555 -9.708 1.00 0.00 O ATOM 8 OD2 ASP C 1 -13.291 -4.904 -8.997 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -14.544 -6.323 -13.592 1.00 0.00 H new ATOM 0 H2 ASP C 1 -15.962 -7.063 -13.023 1.00 0.00 H new ATOM 0 H3 ASP C 1 -15.728 -5.395 -12.805 1.00 0.00 H new ATOM 0 HA ASP C 1 -14.137 -7.571 -11.585 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -12.734 -5.629 -12.017 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -13.947 -4.542 -11.370 1.00 0.00 H new ATOM 13 N ASN C 2 -16.360 -5.492 -10.269 1.00 0.00 N ATOM 14 CA ASN C 2 -17.444 -5.343 -9.283 1.00 0.00 C ATOM 15 C ASN C 2 -16.929 -5.143 -7.863 1.00 0.00 C ATOM 16 O ASN C 2 -17.458 -4.303 -7.132 1.00 0.00 O ATOM 17 CB ASN C 2 -18.420 -6.525 -9.329 1.00 0.00 C ATOM 18 CG ASN C 2 -19.283 -6.513 -10.572 1.00 0.00 C ATOM 19 OD1 ASN C 2 -20.380 -5.955 -10.573 1.00 0.00 O ATOM 20 ND2 ASN C 2 -18.794 -7.121 -11.637 1.00 0.00 N ATOM 0 H ASN C 2 -16.233 -4.668 -10.857 1.00 0.00 H new ATOM 0 HA ASN C 2 -17.979 -4.437 -9.567 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -17.858 -7.458 -9.289 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -19.059 -6.500 -8.446 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -19.330 -7.140 -12.504 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -17.880 -7.571 -11.592 1.00 0.00 H new ATOM 27 N GLN C 3 -15.905 -5.903 -7.476 1.00 0.00 N ATOM 28 CA GLN C 3 -15.281 -5.759 -6.161 1.00 0.00 C ATOM 29 C GLN C 3 -14.893 -4.307 -5.911 1.00 0.00 C ATOM 30 O GLN C 3 -14.882 -3.849 -4.770 1.00 0.00 O ATOM 31 CB GLN C 3 -14.055 -6.665 -6.056 1.00 0.00 C ATOM 32 CG GLN C 3 -14.403 -8.123 -5.819 1.00 0.00 C ATOM 33 CD GLN C 3 -13.240 -9.060 -6.078 1.00 0.00 C ATOM 34 OE1 GLN C 3 -13.043 -9.523 -7.202 1.00 0.00 O ATOM 35 NE2 GLN C 3 -12.481 -9.370 -5.040 1.00 0.00 N ATOM 0 H GLN C 3 -15.488 -6.629 -8.059 1.00 0.00 H new ATOM 0 HA GLN C 3 -16.001 -6.058 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -13.472 -6.583 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -13.421 -6.313 -5.242 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -14.740 -8.248 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -15.237 -8.401 -6.464 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -12.678 -8.964 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -11.699 -10.015 -5.155 1.00 0.00 H new ATOM 44 N LYS C 4 -14.587 -3.618 -7.005 1.00 0.00 N ATOM 45 CA LYS C 4 -14.342 -2.177 -7.033 1.00 0.00 C ATOM 46 C LYS C 4 -15.240 -1.412 -6.059 1.00 0.00 C ATOM 47 O LYS C 4 -14.760 -0.643 -5.229 1.00 0.00 O ATOM 48 CB LYS C 4 -14.615 -1.672 -8.451 1.00 0.00 C ATOM 49 CG LYS C 4 -14.155 -0.246 -8.707 1.00 0.00 C ATOM 50 CD LYS C 4 -14.529 0.200 -10.108 1.00 0.00 C ATOM 51 CE LYS C 4 -14.167 1.653 -10.363 1.00 0.00 C ATOM 52 NZ LYS C 4 -14.605 2.095 -11.715 1.00 0.00 N1+ ATOM 0 H LYS C 4 -14.500 -4.056 -7.922 1.00 0.00 H new ATOM 0 HA LYS C 4 -13.308 -2.005 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -14.120 -2.334 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -15.685 -1.737 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -14.607 0.423 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -13.075 -0.179 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -14.022 -0.432 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -15.600 0.062 -10.258 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -14.632 2.283 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -13.089 1.783 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -14.342 3.091 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -14.142 1.509 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -15.637 1.994 -11.796 1.00 0.00 H new ATOM 66 N ALA C 5 -16.546 -1.611 -6.184 1.00 0.00 N ATOM 67 CA ALA C 5 -17.509 -0.876 -5.375 1.00 0.00 C ATOM 68 C ALA C 5 -17.848 -1.616 -4.086 1.00 0.00 C ATOM 69 O ALA C 5 -18.370 -1.026 -3.142 1.00 0.00 O ATOM 70 CB ALA C 5 -18.772 -0.609 -6.180 1.00 0.00 C ATOM 0 H ALA C 5 -16.962 -2.275 -6.837 1.00 0.00 H new ATOM 0 HA ALA C 5 -17.052 0.074 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -19.485 -0.059 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -18.523 -0.020 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -19.214 -1.556 -6.489 1.00 0.00 H new ATOM 76 N LEU C 6 -17.566 -2.908 -4.059 1.00 0.00 N ATOM 77 CA LEU C 6 -17.918 -3.738 -2.912 1.00 0.00 C ATOM 78 C LEU C 6 -16.788 -3.807 -1.885 1.00 0.00 C ATOM 79 O LEU C 6 -16.806 -3.103 -0.876 1.00 0.00 O ATOM 80 CB LEU C 6 -18.312 -5.156 -3.349 1.00 0.00 C ATOM 81 CG LEU C 6 -19.752 -5.331 -3.857 1.00 0.00 C ATOM 82 CD1 LEU C 6 -20.752 -4.845 -2.820 1.00 0.00 C ATOM 83 CD2 LEU C 6 -19.962 -4.612 -5.179 1.00 0.00 C ATOM 0 H LEU C 6 -17.096 -3.407 -4.814 1.00 0.00 H new ATOM 0 HA LEU C 6 -18.777 -3.263 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -17.629 -5.474 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -18.162 -5.829 -2.505 1.00 0.00 H new ATOM 0 HG LEU C 6 -19.917 -6.395 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -21.765 -4.978 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -20.631 -5.419 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -20.578 -3.789 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -20.990 -4.755 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -19.767 -3.547 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -19.279 -5.017 -5.926 1.00 0.00 H new ATOM 95 N GLU C 7 -15.822 -4.679 -2.136 1.00 0.00 N ATOM 96 CA GLU C 7 -14.765 -4.940 -1.170 1.00 0.00 C ATOM 97 C GLU C 7 -13.450 -4.243 -1.530 1.00 0.00 C ATOM 98 O GLU C 7 -13.262 -3.074 -1.200 1.00 0.00 O ATOM 99 CB GLU C 7 -14.559 -6.451 -1.007 1.00 0.00 C ATOM 100 CG GLU C 7 -14.693 -7.237 -2.303 1.00 0.00 C ATOM 101 CD GLU C 7 -14.366 -8.701 -2.127 1.00 0.00 C ATOM 102 OE1 GLU C 7 -15.260 -9.468 -1.722 1.00 0.00 O ATOM 103 OE2 GLU C 7 -13.213 -9.092 -2.395 1.00 0.00 O1- ATOM 0 H GLU C 7 -15.748 -5.217 -2.999 1.00 0.00 H new ATOM 0 HA GLU C 7 -15.086 -4.518 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -13.569 -6.629 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -15.284 -6.831 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -15.711 -7.138 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -14.031 -6.808 -3.055 1.00 0.00 H new ATOM 110 N GLU C 8 -12.550 -4.973 -2.193 1.00 0.00 N ATOM 111 CA GLU C 8 -11.175 -4.519 -2.487 1.00 0.00 C ATOM 112 C GLU C 8 -10.334 -4.372 -1.211 1.00 0.00 C ATOM 113 O GLU C 8 -9.132 -4.624 -1.217 1.00 0.00 O ATOM 114 CB GLU C 8 -11.169 -3.219 -3.295 1.00 0.00 C ATOM 115 CG GLU C 8 -11.746 -3.383 -4.690 1.00 0.00 C ATOM 116 CD GLU C 8 -11.044 -4.463 -5.493 1.00 0.00 C ATOM 117 OE1 GLU C 8 -11.217 -5.660 -5.176 1.00 0.00 O ATOM 118 OE2 GLU C 8 -10.319 -4.123 -6.449 1.00 0.00 O1- ATOM 0 H GLU C 8 -12.751 -5.908 -2.548 1.00 0.00 H new ATOM 0 HA GLU C 8 -10.714 -5.295 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -11.741 -2.462 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -10.146 -2.851 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -12.806 -3.624 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -11.672 -2.435 -5.223 1.00 0.00 H new ATOM 125 N GLN C 9 -10.985 -3.979 -0.124 1.00 0.00 N ATOM 126 CA GLN C 9 -10.358 -3.872 1.193 1.00 0.00 C ATOM 127 C GLN C 9 -9.957 -5.243 1.735 1.00 0.00 C ATOM 128 O GLN C 9 -9.342 -5.348 2.795 1.00 0.00 O ATOM 129 CB GLN C 9 -11.346 -3.234 2.165 1.00 0.00 C ATOM 130 CG GLN C 9 -11.919 -1.921 1.675 1.00 0.00 C ATOM 131 CD GLN C 9 -13.376 -1.762 2.047 1.00 0.00 C ATOM 132 OE1 GLN C 9 -13.705 -1.243 3.112 1.00 0.00 O ATOM 133 NE2 GLN C 9 -14.261 -2.215 1.171 1.00 0.00 N ATOM 0 H GLN C 9 -11.972 -3.723 -0.129 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.460 -3.262 1.092 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.163 -3.931 2.348 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.847 -3.069 3.120 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.345 -1.096 2.097 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -11.813 -1.862 0.592 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -13.944 -2.639 0.299 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -15.259 -2.140 1.369 1.00 0.00 H new ATOM 142 N MET C 10 -10.323 -6.288 1.013 1.00 0.00 N ATOM 143 CA MET C 10 -10.101 -7.649 1.463 1.00 0.00 C ATOM 144 C MET C 10 -9.001 -8.314 0.642 1.00 0.00 C ATOM 145 O MET C 10 -7.991 -7.687 0.332 1.00 0.00 O ATOM 146 CB MET C 10 -11.403 -8.451 1.394 1.00 0.00 C ATOM 147 CG MET C 10 -12.493 -7.915 2.306 1.00 0.00 C ATOM 148 SD MET C 10 -11.999 -7.895 4.042 1.00 0.00 S ATOM 149 CE MET C 10 -11.713 -9.640 4.335 1.00 0.00 C ATOM 0 H MET C 10 -10.780 -6.217 0.104 1.00 0.00 H new ATOM 0 HA MET C 10 -9.773 -7.624 2.502 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.767 -8.450 0.367 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.196 -9.488 1.658 1.00 0.00 H new ATOM 0 HG2 MET C 10 -12.757 -6.904 1.996 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.388 -8.526 2.194 1.00 0.00 H new ATOM 0 HE1 MET C 10 -11.716 -9.834 5.408 1.00 0.00 H new ATOM 0 HE2 MET C 10 -12.501 -10.223 3.858 1.00 0.00 H new ATOM 0 HE3 MET C 10 -10.747 -9.926 3.918 1.00 0.00 H new ATOM 159 N ASN C 11 -9.196 -9.596 0.332 1.00 0.00 N ATOM 160 CA ASN C 11 -8.201 -10.432 -0.354 1.00 0.00 C ATOM 161 C ASN C 11 -7.475 -9.716 -1.496 1.00 0.00 C ATOM 162 O ASN C 11 -6.296 -9.980 -1.731 1.00 0.00 O ATOM 163 CB ASN C 11 -8.863 -11.705 -0.891 1.00 0.00 C ATOM 164 CG ASN C 11 -9.278 -12.658 0.214 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.605 -12.241 1.325 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.261 -13.948 -0.077 1.00 0.00 N ATOM 0 H ASN C 11 -10.059 -10.093 0.552 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.447 -10.676 0.394 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.739 -11.434 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -8.172 -12.213 -1.564 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.525 -14.634 0.630 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -8.984 -14.257 -1.009 1.00 0.00 H new ATOM 173 N SER C 12 -8.162 -8.817 -2.196 1.00 0.00 N ATOM 174 CA SER C 12 -7.549 -8.059 -3.286 1.00 0.00 C ATOM 175 C SER C 12 -6.273 -7.359 -2.811 1.00 0.00 C ATOM 176 O SER C 12 -5.207 -7.505 -3.416 1.00 0.00 O ATOM 177 CB SER C 12 -8.534 -7.021 -3.828 1.00 0.00 C ATOM 178 OG SER C 12 -9.767 -7.626 -4.190 1.00 0.00 O ATOM 0 H SER C 12 -9.143 -8.595 -2.029 1.00 0.00 H new ATOM 0 HA SER C 12 -7.289 -8.758 -4.081 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.710 -6.253 -3.074 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.101 -6.523 -4.696 1.00 0.00 H new ATOM 0 HG SER C 12 -10.254 -7.035 -4.801 1.00 0.00 H new ATOM 184 N ILE C 13 -6.383 -6.627 -1.710 1.00 0.00 N ATOM 185 CA ILE C 13 -5.259 -5.878 -1.176 1.00 0.00 C ATOM 186 C ILE C 13 -4.414 -6.744 -0.243 1.00 0.00 C ATOM 187 O ILE C 13 -3.218 -6.517 -0.077 1.00 0.00 O ATOM 188 CB ILE C 13 -5.734 -4.612 -0.429 1.00 0.00 C ATOM 189 CG1 ILE C 13 -4.541 -3.761 -0.008 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.575 -4.977 0.787 1.00 0.00 C ATOM 191 CD1 ILE C 13 -4.936 -2.463 0.651 1.00 0.00 C ATOM 0 H ILE C 13 -7.243 -6.538 -1.170 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.644 -5.572 -2.022 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.355 -4.033 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -3.919 -4.335 0.679 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -3.931 -3.544 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -6.896 -4.067 1.294 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -7.450 -5.542 0.468 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -5.981 -5.583 1.471 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -4.040 -1.907 0.925 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.533 -1.870 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.521 -2.673 1.546 1.00 0.00 H new ATOM 203 N ASN C 14 -5.029 -7.753 0.355 1.00 0.00 N ATOM 204 CA ASN C 14 -4.308 -8.632 1.266 1.00 0.00 C ATOM 205 C ASN C 14 -3.363 -9.541 0.500 1.00 0.00 C ATOM 206 O ASN C 14 -2.355 -9.996 1.039 1.00 0.00 O ATOM 207 CB ASN C 14 -5.262 -9.473 2.099 1.00 0.00 C ATOM 208 CG ASN C 14 -6.156 -8.639 2.998 1.00 0.00 C ATOM 209 OD1 ASN C 14 -5.812 -7.516 3.364 1.00 0.00 O ATOM 210 ND2 ASN C 14 -7.294 -9.194 3.384 1.00 0.00 N ATOM 0 H ASN C 14 -6.015 -7.983 0.229 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.730 -7.998 1.938 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.883 -10.074 1.435 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.686 -10.167 2.711 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.922 -8.688 4.008 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -7.542 -10.128 3.058 1.00 0.00 H new ATOM 217 N SER C 15 -3.694 -9.813 -0.754 1.00 0.00 N ATOM 218 CA SER C 15 -2.784 -10.519 -1.638 1.00 0.00 C ATOM 219 C SER C 15 -1.538 -9.666 -1.833 1.00 0.00 C ATOM 220 O SER C 15 -0.424 -10.178 -1.945 1.00 0.00 O ATOM 221 CB SER C 15 -3.464 -10.812 -2.982 1.00 0.00 C ATOM 222 OG SER C 15 -2.686 -11.690 -3.779 1.00 0.00 O ATOM 0 H SER C 15 -4.584 -9.555 -1.180 1.00 0.00 H new ATOM 0 HA SER C 15 -2.503 -11.475 -1.196 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.445 -11.253 -2.806 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.626 -9.878 -3.520 1.00 0.00 H new ATOM 0 HG SER C 15 -3.148 -11.858 -4.627 1.00 0.00 H new ATOM 228 N VAL C 16 -1.738 -8.350 -1.833 1.00 0.00 N ATOM 229 CA VAL C 16 -0.633 -7.407 -1.887 1.00 0.00 C ATOM 230 C VAL C 16 0.146 -7.439 -0.577 1.00 0.00 C ATOM 231 O VAL C 16 1.368 -7.292 -0.575 1.00 0.00 O ATOM 232 CB VAL C 16 -1.120 -5.968 -2.163 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.047 -4.993 -2.201 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.897 -5.912 -3.467 1.00 0.00 C ATOM 0 H VAL C 16 -2.660 -7.915 -1.796 1.00 0.00 H new ATOM 0 HA VAL C 16 0.015 -7.708 -2.710 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.781 -5.674 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.325 -3.987 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.565 -5.008 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.739 -5.284 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.233 -4.891 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.255 -6.232 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.762 -6.573 -3.404 1.00 0.00 H new ATOM 244 N ASN C 17 -0.559 -7.665 0.537 1.00 0.00 N ATOM 245 CA ASN C 17 0.104 -7.773 1.835 1.00 0.00 C ATOM 246 C ASN C 17 1.157 -8.876 1.797 1.00 0.00 C ATOM 247 O ASN C 17 2.277 -8.699 2.271 1.00 0.00 O ATOM 248 CB ASN C 17 -0.902 -8.065 2.956 1.00 0.00 C ATOM 249 CG ASN C 17 -1.668 -6.834 3.384 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.154 -5.728 3.323 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.898 -7.015 3.831 1.00 0.00 N ATOM 0 H ASN C 17 -1.573 -7.775 0.564 1.00 0.00 H new ATOM 0 HA ASN C 17 0.582 -6.816 2.043 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.605 -8.827 2.619 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.373 -8.477 3.816 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.451 -6.216 4.140 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.294 -7.954 3.867 1.00 0.00 H new ATOM 258 N ASP C 18 0.795 -10.004 1.196 1.00 0.00 N ATOM 259 CA ASP C 18 1.695 -11.149 1.100 1.00 0.00 C ATOM 260 C ASP C 18 2.763 -10.931 0.034 1.00 0.00 C ATOM 261 O ASP C 18 3.808 -11.579 0.052 1.00 0.00 O ATOM 262 CB ASP C 18 0.912 -12.429 0.794 1.00 0.00 C ATOM 263 CG ASP C 18 0.135 -12.942 1.990 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.110 -12.997 1.917 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.761 -13.296 3.012 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.118 -10.151 0.766 1.00 0.00 H new ATOM 0 HA ASP C 18 2.190 -11.255 2.065 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.222 -12.239 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.604 -13.201 0.458 1.00 0.00 H new ATOM 270 N LYS C 19 2.507 -10.011 -0.887 1.00 0.00 N ATOM 271 CA LYS C 19 3.447 -9.727 -1.965 1.00 0.00 C ATOM 272 C LYS C 19 4.506 -8.748 -1.493 1.00 0.00 C ATOM 273 O LYS C 19 5.632 -8.736 -1.993 1.00 0.00 O ATOM 274 CB LYS C 19 2.723 -9.150 -3.184 1.00 0.00 C ATOM 275 CG LYS C 19 1.948 -10.178 -3.992 1.00 0.00 C ATOM 276 CD LYS C 19 1.225 -9.536 -5.168 1.00 0.00 C ATOM 277 CE LYS C 19 2.194 -8.845 -6.119 1.00 0.00 C ATOM 278 NZ LYS C 19 1.498 -8.252 -7.290 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.656 -9.448 -0.910 1.00 0.00 H new ATOM 0 HA LYS C 19 3.923 -10.665 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.035 -8.373 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.455 -8.670 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS C 19 2.631 -10.944 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS C 19 1.224 -10.678 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS C 19 0.665 -10.298 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS C 19 0.500 -8.811 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS C 19 2.732 -8.063 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS C 19 2.937 -9.564 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 2.194 -7.792 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 1.005 -9.001 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 0.807 -7.547 -6.963 1.00 0.00 H new ATOM 292 N LEU C 20 4.129 -7.926 -0.530 1.00 0.00 N ATOM 293 CA LEU C 20 5.026 -6.929 0.020 1.00 0.00 C ATOM 294 C LEU C 20 5.779 -7.480 1.222 1.00 0.00 C ATOM 295 O LEU C 20 6.921 -7.109 1.472 1.00 0.00 O ATOM 296 CB LEU C 20 4.234 -5.680 0.395 1.00 0.00 C ATOM 297 CG LEU C 20 3.596 -4.948 -0.790 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.890 -3.688 -0.319 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.649 -4.612 -1.839 1.00 0.00 C ATOM 0 H LEU C 20 3.199 -7.931 -0.111 1.00 0.00 H new ATOM 0 HA LEU C 20 5.766 -6.663 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.449 -5.961 1.097 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.896 -4.990 0.918 1.00 0.00 H new ATOM 0 HG LEU C 20 2.856 -5.607 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.443 -3.181 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.110 -3.953 0.395 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.610 -3.025 0.160 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.178 -4.092 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.412 -3.971 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.111 -5.532 -2.198 1.00 0.00 H new ATOM 311 N ASN C 21 5.141 -8.369 1.965 1.00 0.00 N ATOM 312 CA ASN C 21 5.816 -9.060 3.057 1.00 0.00 C ATOM 313 C ASN C 21 6.616 -10.235 2.500 1.00 0.00 C ATOM 314 O ASN C 21 6.229 -11.393 2.652 1.00 0.00 O ATOM 315 CB ASN C 21 4.806 -9.539 4.111 1.00 0.00 C ATOM 316 CG ASN C 21 4.323 -8.420 5.026 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.898 -8.184 6.090 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.269 -7.723 4.627 1.00 0.00 N ATOM 0 H ASN C 21 4.163 -8.630 1.836 1.00 0.00 H new ATOM 0 HA ASN C 21 6.498 -8.365 3.546 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.948 -9.985 3.608 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.264 -10.322 4.715 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.910 -6.964 5.207 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.817 -7.945 3.740 1.00 0.00 H new ATOM 325 N LYS C 22 7.730 -9.923 1.840 1.00 0.00 N ATOM 326 CA LYS C 22 8.524 -10.936 1.144 1.00 0.00 C ATOM 327 C LYS C 22 9.846 -11.254 1.850 1.00 0.00 C ATOM 328 O LYS C 22 10.243 -12.418 1.929 1.00 0.00 O ATOM 329 CB LYS C 22 8.790 -10.512 -0.314 1.00 0.00 C ATOM 330 CG LYS C 22 8.629 -9.018 -0.604 1.00 0.00 C ATOM 331 CD LYS C 22 9.724 -8.164 0.027 1.00 0.00 C ATOM 332 CE LYS C 22 9.533 -6.686 -0.297 1.00 0.00 C ATOM 333 NZ LYS C 22 9.643 -6.420 -1.754 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.104 -8.976 1.772 1.00 0.00 H new ATOM 0 HA LYS C 22 7.931 -11.850 1.155 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.804 -10.809 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.113 -11.066 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.631 -8.861 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.659 -8.685 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.720 -8.305 1.108 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.698 -8.494 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS C 22 8.556 -6.360 0.059 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.279 -6.098 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.677 -5.394 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 10.511 -6.859 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.818 -6.821 -2.243 1.00 0.00 H new ATOM 347 N GLY C 23 10.522 -10.236 2.363 1.00 0.00 N ATOM 348 CA GLY C 23 11.817 -10.445 2.991 1.00 0.00 C ATOM 349 C GLY C 23 12.271 -9.215 3.738 1.00 0.00 C ATOM 350 O GLY C 23 12.249 -9.180 4.964 1.00 0.00 O ATOM 0 H GLY C 23 10.200 -9.268 2.357 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.758 -11.289 3.678 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.554 -10.704 2.231 1.00 0.00 H new ATOM 354 N LYS C 24 12.703 -8.210 3.001 1.00 0.00 N ATOM 355 CA LYS C 24 12.919 -6.897 3.553 1.00 0.00 C ATOM 356 C LYS C 24 11.787 -6.014 3.069 1.00 0.00 C ATOM 357 O LYS C 24 11.111 -6.384 2.120 1.00 0.00 O ATOM 358 CB LYS C 24 14.243 -6.354 3.059 1.00 0.00 C ATOM 359 CG LYS C 24 14.791 -5.243 3.910 1.00 0.00 C ATOM 360 CD LYS C 24 15.882 -4.530 3.166 1.00 0.00 C ATOM 361 CE LYS C 24 17.124 -5.395 3.000 1.00 0.00 C ATOM 362 NZ LYS C 24 17.679 -5.842 4.305 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.912 -8.286 2.006 1.00 0.00 H new ATOM 0 HA LYS C 24 12.943 -6.929 4.642 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.969 -7.166 3.024 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.120 -5.992 2.038 1.00 0.00 H new ATOM 0 HG2 LYS C 24 13.996 -4.543 4.169 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.178 -5.645 4.846 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.515 -4.232 2.184 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.146 -3.616 3.699 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.878 -6.267 2.394 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.885 -4.834 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.656 -6.172 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.670 -5.048 4.976 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 17.099 -6.619 4.681 1.00 0.00 H new ATOM 376 N GLY C 25 11.569 -4.877 3.712 1.00 0.00 N ATOM 377 CA GLY C 25 10.572 -3.935 3.230 1.00 0.00 C ATOM 378 C GLY C 25 9.205 -4.523 3.056 1.00 0.00 C ATOM 379 O GLY C 25 8.810 -4.911 1.963 1.00 0.00 O ATOM 0 H GLY C 25 12.061 -4.587 4.557 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.510 -3.100 3.928 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.905 -3.528 2.275 1.00 0.00 H new ATOM 383 N LYS C 26 8.465 -4.541 4.125 1.00 0.00 N ATOM 384 CA LYS C 26 7.191 -5.209 4.126 1.00 0.00 C ATOM 385 C LYS C 26 6.085 -4.279 4.589 1.00 0.00 C ATOM 386 O LYS C 26 6.189 -3.635 5.636 1.00 0.00 O ATOM 387 CB LYS C 26 7.304 -6.442 4.996 1.00 0.00 C ATOM 388 CG LYS C 26 7.786 -6.141 6.399 1.00 0.00 C ATOM 389 CD LYS C 26 8.506 -7.328 7.004 1.00 0.00 C ATOM 390 CE LYS C 26 9.710 -7.738 6.170 1.00 0.00 C ATOM 391 NZ LYS C 26 10.611 -8.642 6.936 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.719 -4.101 5.010 1.00 0.00 H new ATOM 0 HA LYS C 26 6.924 -5.511 3.113 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.331 -6.931 5.050 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.990 -7.148 4.527 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.454 -5.280 6.379 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.937 -5.870 7.027 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.830 -7.081 8.015 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.817 -8.169 7.087 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.374 -8.239 5.262 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.260 -6.850 5.859 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 11.043 -9.331 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 11.358 -8.081 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 10.062 -9.146 7.662 1.00 0.00 H new ATOM 405 N LEU C 27 5.036 -4.207 3.789 1.00 0.00 N ATOM 406 CA LEU C 27 3.955 -3.277 4.027 1.00 0.00 C ATOM 407 C LEU C 27 2.665 -4.025 4.331 1.00 0.00 C ATOM 408 O LEU C 27 2.254 -4.907 3.576 1.00 0.00 O ATOM 409 CB LEU C 27 3.781 -2.373 2.804 1.00 0.00 C ATOM 410 CG LEU C 27 2.834 -1.194 2.991 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.252 -0.359 4.190 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.800 -0.341 1.731 1.00 0.00 C ATOM 0 H LEU C 27 4.913 -4.790 2.961 1.00 0.00 H new ATOM 0 HA LEU C 27 4.197 -2.660 4.893 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.759 -1.989 2.515 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.419 -2.980 1.974 1.00 0.00 H new ATOM 0 HG LEU C 27 1.831 -1.580 3.176 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.564 0.478 4.308 1.00 0.00 H new ATOM 0 HD12 LEU C 27 3.230 -0.976 5.088 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.262 0.020 4.035 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.120 0.498 1.878 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.801 0.036 1.520 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.455 -0.945 0.892 1.00 0.00 H new ATOM 424 N SER C 28 2.051 -3.685 5.453 1.00 0.00 N ATOM 425 CA SER C 28 0.790 -4.285 5.852 1.00 0.00 C ATOM 426 C SER C 28 -0.343 -3.269 5.708 1.00 0.00 C ATOM 427 O SER C 28 -0.449 -2.331 6.499 1.00 0.00 O ATOM 428 CB SER C 28 0.888 -4.774 7.297 1.00 0.00 C ATOM 429 OG SER C 28 1.927 -5.733 7.438 1.00 0.00 O ATOM 0 H SER C 28 2.410 -2.990 6.108 1.00 0.00 H new ATOM 0 HA SER C 28 0.575 -5.136 5.205 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.075 -3.929 7.959 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.062 -5.213 7.602 1.00 0.00 H new ATOM 0 HG SER C 28 1.973 -6.031 8.371 1.00 0.00 H new ATOM 435 N LEU C 29 -1.168 -3.454 4.688 1.00 0.00 N ATOM 436 CA LEU C 29 -2.235 -2.519 4.371 1.00 0.00 C ATOM 437 C LEU C 29 -3.524 -2.871 5.075 1.00 0.00 C ATOM 438 O LEU C 29 -3.844 -4.049 5.267 1.00 0.00 O ATOM 439 CB LEU C 29 -2.493 -2.496 2.865 1.00 0.00 C ATOM 440 CG LEU C 29 -1.304 -2.128 1.971 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.520 -0.982 2.567 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.398 -3.321 1.707 1.00 0.00 C ATOM 0 H LEU C 29 -1.116 -4.255 4.059 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.907 -1.538 4.714 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.852 -3.481 2.566 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.299 -1.789 2.668 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.709 -1.810 1.010 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.319 -0.738 1.916 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.168 -0.111 2.667 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.145 -1.270 3.549 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.431 -3.014 1.069 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.008 -3.698 2.652 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.967 -4.107 1.210 1.00 0.00 H new ATOM 454 N SER C 30 -4.260 -1.838 5.464 1.00 0.00 N ATOM 455 CA SER C 30 -5.582 -2.021 6.001 1.00 0.00 C ATOM 456 C SER C 30 -6.397 -0.731 5.875 1.00 0.00 C ATOM 457 O SER C 30 -5.890 0.364 6.143 1.00 0.00 O ATOM 458 CB SER C 30 -5.498 -2.473 7.462 1.00 0.00 C ATOM 459 OG SER C 30 -6.783 -2.699 8.016 1.00 0.00 O ATOM 0 H SER C 30 -3.954 -0.866 5.413 1.00 0.00 H new ATOM 0 HA SER C 30 -6.090 -2.797 5.428 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.908 -3.387 7.527 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.977 -1.716 8.048 1.00 0.00 H new ATOM 0 HG SER C 30 -6.691 -2.988 8.948 1.00 0.00 H new ATOM 465 N MET C 31 -7.654 -0.859 5.458 1.00 0.00 N ATOM 466 CA MET C 31 -8.546 0.292 5.351 1.00 0.00 C ATOM 467 C MET C 31 -9.411 0.400 6.592 1.00 0.00 C ATOM 468 O MET C 31 -9.781 -0.612 7.188 1.00 0.00 O ATOM 469 CB MET C 31 -9.479 0.189 4.139 1.00 0.00 C ATOM 470 CG MET C 31 -8.795 0.226 2.785 1.00 0.00 C ATOM 471 SD MET C 31 -8.104 -1.363 2.300 1.00 0.00 S ATOM 472 CE MET C 31 -7.931 -1.100 0.536 1.00 0.00 C ATOM 0 H MET C 31 -8.077 -1.747 5.189 1.00 0.00 H new ATOM 0 HA MET C 31 -7.910 1.170 5.238 1.00 0.00 H new ATOM 0 HB2 MET C 31 -10.045 -0.739 4.216 1.00 0.00 H new ATOM 0 HB3 MET C 31 -10.199 1.006 4.186 1.00 0.00 H new ATOM 0 HG2 MET C 31 -9.513 0.549 2.031 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.999 0.970 2.807 1.00 0.00 H new ATOM 0 HE1 MET C 31 -7.683 -2.044 0.050 1.00 0.00 H new ATOM 0 HE2 MET C 31 -8.868 -0.719 0.131 1.00 0.00 H new ATOM 0 HE3 MET C 31 -7.136 -0.377 0.352 1.00 0.00 H new ATOM 482 N ASN C 32 -9.721 1.622 6.987 1.00 0.00 N ATOM 483 CA ASN C 32 -10.657 1.848 8.073 1.00 0.00 C ATOM 484 C ASN C 32 -11.535 3.053 7.758 1.00 0.00 C ATOM 485 O ASN C 32 -11.211 4.181 8.127 1.00 0.00 O ATOM 486 CB ASN C 32 -9.908 2.061 9.392 1.00 0.00 C ATOM 487 CG ASN C 32 -10.839 2.135 10.587 1.00 0.00 C ATOM 488 OD1 ASN C 32 -11.195 1.111 11.170 1.00 0.00 O ATOM 489 ND2 ASN C 32 -11.234 3.341 10.966 1.00 0.00 N ATOM 0 H ASN C 32 -9.339 2.472 6.572 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.291 0.968 8.180 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.199 1.246 9.539 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.327 2.981 9.331 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -11.856 3.445 11.768 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.916 4.165 10.456 1.00 0.00 H new ATOM 496 N GLY C 33 -12.648 2.792 7.081 1.00 0.00 N ATOM 497 CA GLY C 33 -13.587 3.839 6.713 1.00 0.00 C ATOM 498 C GLY C 33 -12.948 4.952 5.894 1.00 0.00 C ATOM 499 O GLY C 33 -12.745 4.807 4.689 1.00 0.00 O ATOM 0 H GLY C 33 -12.921 1.858 6.776 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.406 3.401 6.143 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.021 4.265 7.618 1.00 0.00 H new ATOM 503 N ASN C 34 -12.610 6.055 6.553 1.00 0.00 N ATOM 504 CA ASN C 34 -12.023 7.210 5.888 1.00 0.00 C ATOM 505 C ASN C 34 -10.514 7.228 6.091 1.00 0.00 C ATOM 506 O ASN C 34 -9.881 8.286 6.061 1.00 0.00 O ATOM 507 CB ASN C 34 -12.609 8.501 6.462 1.00 0.00 C ATOM 508 CG ASN C 34 -12.398 8.615 7.965 1.00 0.00 C ATOM 509 OD1 ASN C 34 -13.324 8.398 8.750 1.00 0.00 O ATOM 510 ND2 ASN C 34 -11.163 8.885 8.380 1.00 0.00 N ATOM 0 H ASN C 34 -12.735 6.172 7.558 1.00 0.00 H new ATOM 0 HA ASN C 34 -12.249 7.141 4.824 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -12.150 9.357 5.967 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.676 8.541 6.243 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.956 8.918 9.378 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.423 9.059 7.700 1.00 0.00 H new ATOM 517 N GLN C 35 -9.942 6.063 6.297 1.00 0.00 N ATOM 518 CA GLN C 35 -8.557 5.967 6.691 1.00 0.00 C ATOM 519 C GLN C 35 -7.849 4.836 5.974 1.00 0.00 C ATOM 520 O GLN C 35 -8.395 3.746 5.802 1.00 0.00 O ATOM 521 CB GLN C 35 -8.449 5.743 8.199 1.00 0.00 C ATOM 522 CG GLN C 35 -7.019 5.576 8.680 1.00 0.00 C ATOM 523 CD GLN C 35 -6.918 5.201 10.149 1.00 0.00 C ATOM 524 OE1 GLN C 35 -5.963 4.547 10.567 1.00 0.00 O ATOM 525 NE2 GLN C 35 -7.898 5.602 10.940 1.00 0.00 N ATOM 0 H GLN C 35 -10.418 5.166 6.197 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.078 6.907 6.418 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.903 6.587 8.718 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.022 4.856 8.470 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.529 4.808 8.082 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.476 6.506 8.511 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -8.674 6.143 10.557 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -7.879 5.371 11.933 1.00 0.00 H new ATOM 534 N LEU C 36 -6.632 5.117 5.565 1.00 0.00 N ATOM 535 CA LEU C 36 -5.722 4.099 5.102 1.00 0.00 C ATOM 536 C LEU C 36 -4.521 4.131 6.029 1.00 0.00 C ATOM 537 O LEU C 36 -3.910 5.181 6.214 1.00 0.00 O ATOM 538 CB LEU C 36 -5.320 4.365 3.642 1.00 0.00 C ATOM 539 CG LEU C 36 -4.616 3.215 2.887 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.209 2.970 3.408 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.435 1.936 2.971 1.00 0.00 C ATOM 0 H LEU C 36 -6.247 6.061 5.545 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.184 3.112 5.121 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.219 4.634 3.087 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.662 5.234 3.625 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.535 3.519 1.843 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.751 2.154 2.849 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.613 3.874 3.284 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.253 2.707 4.465 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.922 1.139 2.433 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.556 1.649 4.016 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.415 2.102 2.525 1.00 0.00 H new ATOM 553 N LYS C 37 -4.228 3.009 6.652 1.00 0.00 N ATOM 554 CA LYS C 37 -3.103 2.916 7.565 1.00 0.00 C ATOM 555 C LYS C 37 -2.295 1.683 7.184 1.00 0.00 C ATOM 556 O LYS C 37 -2.858 0.685 6.724 1.00 0.00 O ATOM 557 CB LYS C 37 -3.588 2.852 9.026 1.00 0.00 C ATOM 558 CG LYS C 37 -4.569 1.726 9.350 1.00 0.00 C ATOM 559 CD LYS C 37 -3.860 0.405 9.611 1.00 0.00 C ATOM 560 CE LYS C 37 -4.791 -0.625 10.230 1.00 0.00 C ATOM 561 NZ LYS C 37 -5.141 -0.295 11.638 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.755 2.143 6.543 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.474 3.802 7.487 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.718 2.748 9.674 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.060 3.803 9.275 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.158 2.000 10.225 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -5.267 1.605 8.522 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.460 0.016 8.674 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -3.012 0.573 10.275 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.703 -0.690 9.637 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.318 -1.606 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.573 -1.125 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.280 -0.026 12.156 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -5.815 0.497 11.652 1.00 0.00 H new ATOM 575 N ALA C 38 -0.993 1.758 7.334 1.00 0.00 N ATOM 576 CA ALA C 38 -0.124 0.677 6.918 1.00 0.00 C ATOM 577 C ALA C 38 1.136 0.655 7.758 1.00 0.00 C ATOM 578 O ALA C 38 1.757 1.695 7.989 1.00 0.00 O ATOM 579 CB ALA C 38 0.222 0.821 5.447 1.00 0.00 C ATOM 0 H ALA C 38 -0.509 2.558 7.742 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.649 -0.267 7.063 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.876 0.003 5.145 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.692 0.793 4.854 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.731 1.771 5.284 1.00 0.00 H new ATOM 585 N THR C 39 1.507 -0.519 8.221 1.00 0.00 N ATOM 586 CA THR C 39 2.715 -0.669 8.999 1.00 0.00 C ATOM 587 C THR C 39 3.841 -1.214 8.132 1.00 0.00 C ATOM 588 O THR C 39 3.616 -2.037 7.240 1.00 0.00 O ATOM 589 CB THR C 39 2.493 -1.595 10.204 1.00 0.00 C ATOM 590 OG1 THR C 39 1.994 -2.854 9.753 1.00 0.00 O ATOM 591 CG2 THR C 39 1.514 -0.977 11.192 1.00 0.00 C ATOM 0 H THR C 39 0.988 -1.384 8.071 1.00 0.00 H new ATOM 0 HA THR C 39 2.992 0.317 9.371 1.00 0.00 H new ATOM 0 HB THR C 39 3.447 -1.738 10.712 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.854 -3.445 10.522 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.374 -1.652 12.036 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.909 -0.026 11.550 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.557 -0.809 10.699 1.00 0.00 H new ATOM 599 N SER C 40 5.043 -0.752 8.404 1.00 0.00 N ATOM 600 CA SER C 40 6.217 -1.160 7.657 1.00 0.00 C ATOM 601 C SER C 40 7.230 -1.779 8.599 1.00 0.00 C ATOM 602 O SER C 40 7.716 -1.129 9.525 1.00 0.00 O ATOM 603 CB SER C 40 6.820 0.042 6.927 1.00 0.00 C ATOM 604 OG SER C 40 7.062 1.118 7.820 1.00 0.00 O ATOM 0 H SER C 40 5.235 -0.083 9.149 1.00 0.00 H new ATOM 0 HA SER C 40 5.932 -1.903 6.912 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.753 -0.252 6.447 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.143 0.367 6.137 1.00 0.00 H new ATOM 0 HG SER C 40 7.357 0.765 8.685 1.00 0.00 H new ATOM 610 N SER C 41 7.543 -3.038 8.373 1.00 0.00 N ATOM 611 CA SER C 41 8.483 -3.728 9.225 1.00 0.00 C ATOM 612 C SER C 41 9.824 -3.878 8.522 1.00 0.00 C ATOM 613 O SER C 41 9.981 -3.442 7.375 1.00 0.00 O ATOM 614 CB SER C 41 7.923 -5.086 9.651 1.00 0.00 C ATOM 615 OG SER C 41 6.662 -4.940 10.285 1.00 0.00 O ATOM 0 H SER C 41 7.162 -3.599 7.611 1.00 0.00 H new ATOM 0 HA SER C 41 8.641 -3.135 10.126 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.823 -5.732 8.779 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.621 -5.574 10.331 1.00 0.00 H new ATOM 0 HG SER C 41 6.323 -5.822 10.547 1.00 0.00 H new ATOM 621 N ASN C 42 10.768 -4.504 9.220 1.00 0.00 N ATOM 622 CA ASN C 42 12.167 -4.544 8.813 1.00 0.00 C ATOM 623 C ASN C 42 12.761 -3.158 8.968 1.00 0.00 C ATOM 624 O ASN C 42 13.527 -2.694 8.125 1.00 0.00 O ATOM 625 CB ASN C 42 12.348 -5.048 7.379 1.00 0.00 C ATOM 626 CG ASN C 42 13.385 -6.145 7.292 1.00 0.00 C ATOM 627 OD1 ASN C 42 13.056 -7.325 7.366 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.646 -5.769 7.148 1.00 0.00 N ATOM 0 H ASN C 42 10.580 -5.001 10.091 1.00 0.00 H new ATOM 0 HA ASN C 42 12.688 -5.253 9.456 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.395 -5.419 7.002 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.643 -4.218 6.737 1.00 0.00 H new ATOM 0 HD21 ASN C 42 15.384 -6.471 7.095 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.879 -4.778 7.090 1.00 0.00 H new ATOM 635 N ALA C 43 12.347 -2.495 10.050 1.00 0.00 N ATOM 636 CA ALA C 43 12.820 -1.161 10.404 1.00 0.00 C ATOM 637 C ALA C 43 12.452 -0.123 9.348 1.00 0.00 C ATOM 638 O ALA C 43 13.061 0.946 9.275 1.00 0.00 O ATOM 639 CB ALA C 43 14.318 -1.179 10.654 1.00 0.00 C ATOM 0 H ALA C 43 11.668 -2.875 10.709 1.00 0.00 H new ATOM 0 HA ALA C 43 12.317 -0.867 11.325 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.655 -0.176 10.917 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.542 -1.863 11.472 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.833 -1.510 9.752 1.00 0.00 H new ATOM 645 N GLY C 44 11.451 -0.438 8.536 1.00 0.00 N ATOM 646 CA GLY C 44 10.967 0.507 7.549 1.00 0.00 C ATOM 647 C GLY C 44 11.874 0.630 6.342 1.00 0.00 C ATOM 648 O GLY C 44 11.788 1.607 5.598 1.00 0.00 O ATOM 0 H GLY C 44 10.964 -1.334 8.544 1.00 0.00 H new ATOM 0 HA2 GLY C 44 9.974 0.201 7.219 1.00 0.00 H new ATOM 0 HA3 GLY C 44 10.860 1.486 8.016 1.00 0.00 H new ATOM 652 N TYR C 45 12.742 -0.356 6.140 1.00 0.00 N ATOM 653 CA TYR C 45 13.635 -0.353 4.986 1.00 0.00 C ATOM 654 C TYR C 45 12.888 -0.734 3.715 1.00 0.00 C ATOM 655 O TYR C 45 11.683 -0.973 3.748 1.00 0.00 O ATOM 656 CB TYR C 45 14.828 -1.284 5.205 1.00 0.00 C ATOM 657 CG TYR C 45 15.881 -0.693 6.124 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.131 -1.219 7.391 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.622 0.414 5.722 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.085 -0.660 8.219 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.577 0.973 6.546 1.00 0.00 C ATOM 662 CZ TYR C 45 17.804 0.435 7.793 1.00 0.00 C ATOM 663 OH TYR C 45 18.751 0.998 8.622 1.00 0.00 O ATOM 0 H TYR C 45 12.846 -1.163 6.756 1.00 0.00 H new ATOM 0 HA TYR C 45 14.015 0.662 4.869 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.475 -2.226 5.625 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.283 -1.515 4.242 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.570 -2.077 7.730 1.00 0.00 H new ATOM 0 HD2 TYR C 45 16.446 0.844 4.747 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.267 -1.080 9.197 1.00 0.00 H new ATOM 0 HE2 TYR C 45 18.145 1.830 6.214 1.00 0.00 H new ATOM 0 HH TYR C 45 19.169 1.761 8.171 1.00 0.00 H new ATOM 673 N GLY C 46 13.608 -0.783 2.602 1.00 0.00 N ATOM 674 CA GLY C 46 12.980 -1.028 1.318 1.00 0.00 C ATOM 675 C GLY C 46 12.994 -2.488 0.910 1.00 0.00 C ATOM 676 O GLY C 46 13.170 -3.367 1.749 1.00 0.00 O ATOM 0 H GLY C 46 14.620 -0.657 2.565 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.948 -0.678 1.354 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.490 -0.440 0.555 1.00 0.00 H new ATOM 680 N ILE C 47 12.831 -2.723 -0.392 1.00 0.00 N ATOM 681 CA ILE C 47 12.658 -4.069 -0.958 1.00 0.00 C ATOM 682 C ILE C 47 13.699 -5.044 -0.461 1.00 0.00 C ATOM 683 O ILE C 47 13.393 -5.999 0.250 1.00 0.00 O ATOM 684 CB ILE C 47 12.845 -4.056 -2.478 1.00 0.00 C ATOM 685 CG1 ILE C 47 12.157 -2.862 -3.110 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.337 -5.350 -3.095 1.00 0.00 C ATOM 687 CD1 ILE C 47 12.464 -2.727 -4.577 1.00 0.00 C ATOM 0 H ILE C 47 12.815 -1.982 -1.092 1.00 0.00 H new ATOM 0 HA ILE C 47 11.654 -4.370 -0.657 1.00 0.00 H new ATOM 0 HB ILE C 47 13.913 -3.972 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.079 -2.955 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.466 -1.954 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.480 -5.319 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE C 47 12.890 -6.193 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.276 -5.467 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE C 47 11.946 -1.856 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE C 47 13.538 -2.605 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE C 47 12.130 -3.622 -5.102 1.00 0.00 H new ATOM 699 N SER C 48 14.925 -4.789 -0.887 1.00 0.00 N ATOM 700 CA SER C 48 16.040 -5.665 -0.636 1.00 0.00 C ATOM 701 C SER C 48 17.239 -5.182 -1.452 1.00 0.00 C ATOM 702 O SER C 48 18.149 -4.557 -0.907 1.00 0.00 O ATOM 703 CB SER C 48 15.680 -7.114 -0.994 1.00 0.00 C ATOM 704 OG SER C 48 16.559 -8.036 -0.373 1.00 0.00 O ATOM 0 H SER C 48 15.169 -3.956 -1.423 1.00 0.00 H new ATOM 0 HA SER C 48 16.293 -5.643 0.424 1.00 0.00 H new ATOM 0 HB2 SER C 48 14.655 -7.322 -0.686 1.00 0.00 H new ATOM 0 HB3 SER C 48 15.720 -7.243 -2.076 1.00 0.00 H new ATOM 0 HG SER C 48 16.302 -8.949 -0.619 1.00 0.00 H new ATOM 710 N TYR C 49 17.214 -5.436 -2.764 1.00 0.00 N ATOM 711 CA TYR C 49 18.268 -4.974 -3.673 1.00 0.00 C ATOM 712 C TYR C 49 17.750 -4.843 -5.105 1.00 0.00 C ATOM 713 O TYR C 49 18.228 -5.535 -6.004 1.00 0.00 O ATOM 714 CB TYR C 49 19.468 -5.932 -3.665 1.00 0.00 C ATOM 715 CG TYR C 49 20.377 -5.797 -2.452 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.128 -4.638 -2.249 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.493 -6.821 -1.510 1.00 0.00 C ATOM 718 CE1 TYR C 49 21.958 -4.510 -1.154 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.322 -6.691 -0.415 1.00 0.00 C ATOM 720 CZ TYR C 49 22.051 -5.536 -0.242 1.00 0.00 C ATOM 721 OH TYR C 49 22.880 -5.409 0.850 1.00 0.00 O ATOM 0 H TYR C 49 16.470 -5.962 -3.223 1.00 0.00 H new ATOM 0 HA TYR C 49 18.585 -3.994 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.099 -6.956 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.058 -5.762 -4.566 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.058 -3.828 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.924 -7.730 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.533 -3.607 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.399 -7.493 0.304 1.00 0.00 H new ATOM 0 HH TYR C 49 22.829 -6.221 1.396 1.00 0.00 H new ATOM 731 N GLU C 50 16.773 -3.966 -5.323 1.00 0.00 N ATOM 732 CA GLU C 50 16.229 -3.747 -6.664 1.00 0.00 C ATOM 733 C GLU C 50 15.330 -2.530 -6.691 1.00 0.00 C ATOM 734 O GLU C 50 15.088 -1.919 -5.659 1.00 0.00 O ATOM 735 CB GLU C 50 15.476 -4.987 -7.157 1.00 0.00 C ATOM 736 CG GLU C 50 14.327 -5.412 -6.257 1.00 0.00 C ATOM 737 CD GLU C 50 13.777 -6.771 -6.632 1.00 0.00 C ATOM 738 OE1 GLU C 50 14.105 -7.753 -5.939 1.00 0.00 O ATOM 739 OE2 GLU C 50 13.037 -6.868 -7.634 1.00 0.00 O1- ATOM 0 H GLU C 50 16.343 -3.397 -4.594 1.00 0.00 H new ATOM 0 HA GLU C 50 17.065 -3.566 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.087 -4.790 -8.156 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.179 -5.815 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU C 50 14.668 -5.433 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.530 -4.671 -6.315 1.00 0.00 H new ATOM 746 N ASP C 51 14.843 -2.188 -7.875 1.00 0.00 N ATOM 747 CA ASP C 51 14.088 -0.958 -8.079 1.00 0.00 C ATOM 748 C ASP C 51 12.760 -1.247 -8.759 1.00 0.00 C ATOM 749 O ASP C 51 12.731 -1.682 -9.910 1.00 0.00 O ATOM 750 CB ASP C 51 14.910 0.001 -8.947 1.00 0.00 C ATOM 751 CG ASP C 51 14.323 1.396 -9.037 1.00 0.00 C ATOM 752 OD1 ASP C 51 14.852 2.304 -8.368 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.346 1.601 -9.790 1.00 0.00 O1- ATOM 0 H ASP C 51 14.959 -2.751 -8.718 1.00 0.00 H new ATOM 0 HA ASP C 51 13.888 -0.504 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.920 0.067 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.994 -0.414 -9.951 1.00 0.00 H new ATOM 758 N LYS C 52 11.660 -1.023 -8.051 1.00 0.00 N ATOM 759 CA LYS C 52 10.347 -1.210 -8.642 1.00 0.00 C ATOM 760 C LYS C 52 9.595 0.101 -8.649 1.00 0.00 C ATOM 761 O LYS C 52 9.891 1.005 -7.865 1.00 0.00 O ATOM 762 CB LYS C 52 9.515 -2.231 -7.879 1.00 0.00 C ATOM 763 CG LYS C 52 10.308 -3.371 -7.284 1.00 0.00 C ATOM 764 CD LYS C 52 10.987 -4.226 -8.340 1.00 0.00 C ATOM 765 CE LYS C 52 9.978 -4.898 -9.260 1.00 0.00 C ATOM 766 NZ LYS C 52 9.034 -5.773 -8.514 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.653 -0.715 -7.079 1.00 0.00 H new ATOM 0 HA LYS C 52 10.504 -1.575 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS C 52 8.982 -1.720 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.762 -2.642 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS C 52 11.062 -2.969 -6.607 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.645 -3.997 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.661 -3.606 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.598 -4.987 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS C 52 9.416 -4.135 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.507 -5.490 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 8.784 -6.594 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 9.484 -6.100 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 8.173 -5.237 -8.283 1.00 0.00 H new ATOM 780 N ASN C 53 8.614 0.194 -9.514 1.00 0.00 N ATOM 781 CA ASN C 53 7.805 1.397 -9.601 1.00 0.00 C ATOM 782 C ASN C 53 6.409 1.141 -9.061 1.00 0.00 C ATOM 783 O ASN C 53 5.708 0.235 -9.501 1.00 0.00 O ATOM 784 CB ASN C 53 7.789 1.975 -11.028 1.00 0.00 C ATOM 785 CG ASN C 53 7.621 0.933 -12.126 1.00 0.00 C ATOM 786 OD1 ASN C 53 6.722 -0.015 -11.937 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 8.269 1.017 -13.169 1.00 0.00 N flip ATOM 0 H ASN C 53 8.353 -0.544 -10.168 1.00 0.00 H new ATOM 0 HA ASN C 53 8.263 2.161 -8.973 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.979 2.700 -11.104 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.719 2.518 -11.198 1.00 0.00 H new ATOM 0 HD21 ASN C 53 8.956 1.762 -13.284 1.00 0.00 H new ATOM 0 HD22 ASN C 53 8.118 0.342 -13.919 1.00 0.00 H new ATOM 794 N TRP C 54 6.038 1.937 -8.080 1.00 0.00 N ATOM 795 CA TRP C 54 4.854 1.693 -7.281 1.00 0.00 C ATOM 796 C TRP C 54 3.767 2.740 -7.489 1.00 0.00 C ATOM 797 O TRP C 54 4.033 3.799 -8.046 1.00 0.00 O ATOM 798 CB TRP C 54 5.267 1.714 -5.832 1.00 0.00 C ATOM 799 CG TRP C 54 4.980 0.442 -5.153 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.804 -0.619 -4.994 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.754 0.108 -4.563 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.141 -1.621 -4.318 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.866 -1.183 -4.041 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.568 0.801 -4.431 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.802 -1.799 -3.389 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.527 0.208 -3.794 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.644 -1.089 -3.275 1.00 0.00 C ATOM 0 H TRP C 54 6.552 2.776 -7.813 1.00 0.00 H new ATOM 0 HA TRP C 54 4.437 0.732 -7.583 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.334 1.928 -5.763 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.746 2.523 -5.319 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.825 -0.673 -5.343 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.529 -2.530 -4.066 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.470 1.800 -4.829 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.890 -2.799 -2.990 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.595 0.743 -3.685 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.798 -1.536 -2.774 1.00 0.00 H new ATOM 818 N GLY C 55 2.544 2.453 -7.017 1.00 0.00 N ATOM 819 CA GLY C 55 1.497 3.447 -7.093 1.00 0.00 C ATOM 820 C GLY C 55 0.190 3.086 -6.403 1.00 0.00 C ATOM 821 O GLY C 55 -0.135 1.916 -6.203 1.00 0.00 O ATOM 0 H GLY C 55 2.274 1.565 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.871 4.375 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.288 3.648 -8.144 1.00 0.00 H new ATOM 825 N ILE C 56 -0.553 4.130 -6.039 1.00 0.00 N ATOM 826 CA ILE C 56 -1.873 3.997 -5.414 1.00 0.00 C ATOM 827 C ILE C 56 -2.969 4.590 -6.297 1.00 0.00 C ATOM 828 O ILE C 56 -2.862 5.737 -6.728 1.00 0.00 O ATOM 829 CB ILE C 56 -1.934 4.731 -4.051 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.202 3.963 -2.966 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.376 4.962 -3.616 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.303 3.900 -3.128 1.00 0.00 C ATOM 0 H ILE C 56 -0.257 5.097 -6.169 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.034 2.928 -5.274 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.441 5.693 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.429 4.419 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.592 2.945 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.388 5.479 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.888 5.570 -4.362 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.885 4.003 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.734 3.331 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.547 3.414 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.712 4.910 -3.124 1.00 0.00 H new ATOM 844 N PHE C 57 -4.026 3.820 -6.536 1.00 0.00 N ATOM 845 CA PHE C 57 -5.200 4.330 -7.241 1.00 0.00 C ATOM 846 C PHE C 57 -6.464 4.047 -6.424 1.00 0.00 C ATOM 847 O PHE C 57 -6.984 2.935 -6.451 1.00 0.00 O ATOM 848 CB PHE C 57 -5.365 3.683 -8.631 1.00 0.00 C ATOM 849 CG PHE C 57 -4.086 3.364 -9.367 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.284 2.301 -8.973 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.704 4.105 -10.472 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.131 1.989 -9.662 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.546 3.800 -11.163 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.761 2.738 -10.756 1.00 0.00 C ATOM 0 H PHE C 57 -4.095 2.842 -6.253 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.055 5.403 -7.370 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.934 2.761 -8.516 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.962 4.351 -9.252 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.567 1.710 -8.115 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.318 4.931 -10.798 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.519 1.158 -9.344 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.255 4.391 -12.019 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.858 2.496 -11.296 1.00 0.00 H new ATOM 864 N VAL C 58 -6.970 5.036 -5.694 1.00 0.00 N ATOM 865 CA VAL C 58 -8.213 4.843 -4.955 1.00 0.00 C ATOM 866 C VAL C 58 -9.406 5.090 -5.870 1.00 0.00 C ATOM 867 O VAL C 58 -9.498 6.135 -6.519 1.00 0.00 O ATOM 868 CB VAL C 58 -8.315 5.722 -3.682 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.217 7.200 -4.002 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.613 5.439 -2.945 1.00 0.00 C ATOM 0 H VAL C 58 -6.550 5.960 -5.599 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.217 3.809 -4.612 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.470 5.463 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.293 7.778 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.260 7.406 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.027 7.481 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.669 6.064 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.458 5.661 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.645 4.389 -2.654 1.00 0.00 H new ATOM 880 N ASN C 59 -10.299 4.106 -5.939 1.00 0.00 N ATOM 881 CA ASN C 59 -11.427 4.127 -6.870 1.00 0.00 C ATOM 882 C ASN C 59 -10.942 4.287 -8.309 1.00 0.00 C ATOM 883 O ASN C 59 -11.663 4.793 -9.167 1.00 0.00 O ATOM 884 CB ASN C 59 -12.419 5.246 -6.519 1.00 0.00 C ATOM 885 CG ASN C 59 -13.077 5.044 -5.169 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.238 3.918 -4.702 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.470 6.134 -4.534 1.00 0.00 N ATOM 0 H ASN C 59 -10.262 3.272 -5.353 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.944 3.172 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.897 6.203 -6.524 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.189 5.298 -7.289 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.924 6.058 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.319 7.051 -4.954 1.00 0.00 H new ATOM 894 N GLY C 60 -9.712 3.851 -8.567 1.00 0.00 N ATOM 895 CA GLY C 60 -9.150 3.953 -9.900 1.00 0.00 C ATOM 896 C GLY C 60 -8.439 5.275 -10.145 1.00 0.00 C ATOM 897 O GLY C 60 -7.987 5.541 -11.258 1.00 0.00 O ATOM 0 H GLY C 60 -9.094 3.428 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.447 3.134 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.947 3.833 -10.634 1.00 0.00 H new ATOM 901 N GLU C 61 -8.342 6.105 -9.116 1.00 0.00 N ATOM 902 CA GLU C 61 -7.682 7.399 -9.241 1.00 0.00 C ATOM 903 C GLU C 61 -6.345 7.392 -8.510 1.00 0.00 C ATOM 904 O GLU C 61 -6.289 7.168 -7.302 1.00 0.00 O ATOM 905 CB GLU C 61 -8.581 8.504 -8.688 1.00 0.00 C ATOM 906 CG GLU C 61 -7.994 9.897 -8.835 1.00 0.00 C ATOM 907 CD GLU C 61 -8.960 10.978 -8.406 1.00 0.00 C ATOM 908 OE1 GLU C 61 -10.057 11.071 -8.999 1.00 0.00 O ATOM 909 OE2 GLU C 61 -8.629 11.744 -7.479 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.711 5.907 -8.186 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.496 7.592 -10.298 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.543 8.468 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.774 8.310 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -7.084 9.970 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.709 10.060 -9.874 1.00 0.00 H new ATOM 916 N LYS C 62 -5.272 7.636 -9.250 1.00 0.00 N ATOM 917 CA LYS C 62 -3.929 7.589 -8.688 1.00 0.00 C ATOM 918 C LYS C 62 -3.659 8.815 -7.824 1.00 0.00 C ATOM 919 O LYS C 62 -3.675 9.946 -8.313 1.00 0.00 O ATOM 920 CB LYS C 62 -2.886 7.482 -9.804 1.00 0.00 C ATOM 921 CG LYS C 62 -1.487 7.164 -9.295 1.00 0.00 C ATOM 922 CD LYS C 62 -0.518 6.883 -10.434 1.00 0.00 C ATOM 923 CE LYS C 62 -0.215 8.134 -11.245 1.00 0.00 C ATOM 924 NZ LYS C 62 0.442 9.186 -10.424 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.306 7.869 -10.242 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.855 6.704 -8.056 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.194 6.707 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.859 8.421 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.118 8.001 -8.702 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.530 6.299 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.410 6.479 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.939 6.120 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.430 7.874 -12.085 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -1.141 8.527 -11.664 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.026 9.790 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -0.284 9.765 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.044 8.739 -9.704 1.00 0.00 H new ATOM 938 N VAL C 63 -3.419 8.588 -6.537 1.00 0.00 N ATOM 939 CA VAL C 63 -3.171 9.684 -5.608 1.00 0.00 C ATOM 940 C VAL C 63 -1.704 9.726 -5.190 1.00 0.00 C ATOM 941 O VAL C 63 -1.161 10.793 -4.904 1.00 0.00 O ATOM 942 CB VAL C 63 -4.061 9.591 -4.343 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.502 9.314 -4.719 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.557 8.532 -3.375 1.00 0.00 C ATOM 0 H VAL C 63 -3.391 7.660 -6.115 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.425 10.602 -6.138 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.007 10.556 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -6.108 9.253 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.874 10.120 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.562 8.370 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.208 8.498 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.559 7.559 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.542 8.778 -3.062 1.00 0.00 H new ATOM 954 N TYR C 64 -1.065 8.563 -5.161 1.00 0.00 N ATOM 955 CA TYR C 64 0.304 8.465 -4.692 1.00 0.00 C ATOM 956 C TYR C 64 1.100 7.542 -5.612 1.00 0.00 C ATOM 957 O TYR C 64 0.556 6.580 -6.151 1.00 0.00 O ATOM 958 CB TYR C 64 0.302 7.932 -3.254 1.00 0.00 C ATOM 959 CG TYR C 64 1.541 8.261 -2.453 1.00 0.00 C ATOM 960 CD1 TYR C 64 1.586 9.387 -1.639 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.657 7.442 -2.495 1.00 0.00 C ATOM 962 CE1 TYR C 64 2.711 9.684 -0.893 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.785 7.733 -1.756 1.00 0.00 C ATOM 964 CZ TYR C 64 3.808 8.854 -0.956 1.00 0.00 C ATOM 965 OH TYR C 64 4.931 9.141 -0.210 1.00 0.00 O ATOM 0 H TYR C 64 -1.476 7.678 -5.457 1.00 0.00 H new ATOM 0 HA TYR C 64 0.775 9.448 -4.705 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.567 8.335 -2.734 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.183 6.849 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR C 64 0.728 10.041 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.644 6.560 -3.118 1.00 0.00 H new ATOM 0 HE1 TYR C 64 2.730 10.562 -0.264 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.647 7.084 -1.805 1.00 0.00 H new ATOM 0 HH TYR C 64 5.613 8.455 -0.369 1.00 0.00 H new ATOM 975 N THR C 65 2.369 7.856 -5.822 1.00 0.00 N ATOM 976 CA THR C 65 3.253 7.031 -6.639 1.00 0.00 C ATOM 977 C THR C 65 4.667 7.099 -6.054 1.00 0.00 C ATOM 978 O THR C 65 5.076 8.158 -5.581 1.00 0.00 O ATOM 979 CB THR C 65 3.268 7.525 -8.107 1.00 0.00 C ATOM 980 OG1 THR C 65 1.926 7.631 -8.598 1.00 0.00 O ATOM 981 CG2 THR C 65 4.062 6.594 -9.009 1.00 0.00 C ATOM 0 H THR C 65 2.816 8.686 -5.434 1.00 0.00 H new ATOM 0 HA THR C 65 2.891 6.003 -6.632 1.00 0.00 H new ATOM 0 HB THR C 65 3.751 8.502 -8.120 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.313 7.189 -7.974 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.048 6.976 -10.030 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.092 6.538 -8.657 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.616 5.599 -8.988 1.00 0.00 H new ATOM 989 N PHE C 66 5.411 5.987 -6.057 1.00 0.00 N ATOM 990 CA PHE C 66 6.733 5.981 -5.423 1.00 0.00 C ATOM 991 C PHE C 66 7.609 4.813 -5.877 1.00 0.00 C ATOM 992 O PHE C 66 7.284 4.094 -6.823 1.00 0.00 O ATOM 993 CB PHE C 66 6.588 5.949 -3.896 1.00 0.00 C ATOM 994 CG PHE C 66 5.964 4.690 -3.345 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.759 3.656 -2.873 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.589 4.551 -3.277 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.195 2.512 -2.343 1.00 0.00 C ATOM 998 CE2 PHE C 66 4.018 3.408 -2.752 1.00 0.00 C ATOM 999 CZ PHE C 66 4.822 2.388 -2.282 1.00 0.00 C ATOM 0 H PHE C 66 5.130 5.102 -6.479 1.00 0.00 H new ATOM 0 HA PHE C 66 7.231 6.899 -5.736 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.574 6.075 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.986 6.802 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.834 3.747 -2.921 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.954 5.346 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.827 1.716 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.943 3.312 -2.709 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.377 1.495 -1.868 1.00 0.00 H new ATOM 1009 N ASN C 67 8.736 4.657 -5.187 1.00 0.00 N ATOM 1010 CA ASN C 67 9.701 3.600 -5.463 1.00 0.00 C ATOM 1011 C ASN C 67 9.817 2.684 -4.247 1.00 0.00 C ATOM 1012 O ASN C 67 9.857 3.148 -3.107 1.00 0.00 O ATOM 1013 CB ASN C 67 11.062 4.228 -5.789 1.00 0.00 C ATOM 1014 CG ASN C 67 12.073 3.239 -6.343 1.00 0.00 C ATOM 1015 OD1 ASN C 67 12.050 2.047 -6.039 1.00 0.00 O ATOM 1016 ND2 ASN C 67 12.976 3.739 -7.165 1.00 0.00 N ATOM 0 H ASN C 67 9.006 5.266 -4.415 1.00 0.00 H new ATOM 0 HA ASN C 67 9.368 3.010 -6.317 1.00 0.00 H new ATOM 0 HB2 ASN C 67 10.918 5.031 -6.512 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.469 4.682 -4.885 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.687 3.131 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.963 4.733 -7.393 1.00 0.00 H new ATOM 1023 N GLU C 68 9.882 1.387 -4.508 1.00 0.00 N ATOM 1024 CA GLU C 68 9.814 0.369 -3.464 1.00 0.00 C ATOM 1025 C GLU C 68 11.095 0.305 -2.632 1.00 0.00 C ATOM 1026 O GLU C 68 11.057 -0.050 -1.456 1.00 0.00 O ATOM 1027 CB GLU C 68 9.568 -0.992 -4.109 1.00 0.00 C ATOM 1028 CG GLU C 68 8.580 -1.873 -3.372 1.00 0.00 C ATOM 1029 CD GLU C 68 8.742 -3.342 -3.714 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.453 -3.724 -4.866 1.00 0.00 O ATOM 1031 OE2 GLU C 68 9.157 -4.120 -2.834 1.00 0.00 O1- ATOM 0 H GLU C 68 9.983 1.008 -5.449 1.00 0.00 H new ATOM 0 HA GLU C 68 8.997 0.636 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.207 -0.837 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.519 -1.520 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.708 -1.737 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.565 -1.557 -3.614 1.00 0.00 H new ATOM 1038 N LYS C 69 12.227 0.644 -3.238 1.00 0.00 N ATOM 1039 CA LYS C 69 13.519 0.507 -2.562 1.00 0.00 C ATOM 1040 C LYS C 69 13.843 1.739 -1.738 1.00 0.00 C ATOM 1041 O LYS C 69 14.977 1.918 -1.285 1.00 0.00 O ATOM 1042 CB LYS C 69 14.631 0.251 -3.568 1.00 0.00 C ATOM 1043 CG LYS C 69 14.810 1.378 -4.557 1.00 0.00 C ATOM 1044 CD LYS C 69 15.670 0.942 -5.732 1.00 0.00 C ATOM 1045 CE LYS C 69 17.077 1.494 -5.639 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.781 1.421 -6.946 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.281 1.013 -4.187 1.00 0.00 H new ATOM 0 HA LYS C 69 13.447 -0.348 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.567 0.094 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.416 -0.669 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.836 1.708 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.272 2.232 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.709 -0.147 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.210 1.276 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.040 2.530 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.639 0.935 -4.891 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.741 1.807 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 17.837 0.430 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.258 1.975 -7.654 1.00 0.00 H new ATOM 1060 N SER C 70 12.855 2.595 -1.564 1.00 0.00 N ATOM 1061 CA SER C 70 12.980 3.707 -0.651 1.00 0.00 C ATOM 1062 C SER C 70 12.815 3.171 0.778 1.00 0.00 C ATOM 1063 O SER C 70 13.145 2.016 1.044 1.00 0.00 O ATOM 1064 CB SER C 70 11.922 4.762 -0.984 1.00 0.00 C ATOM 1065 OG SER C 70 12.017 5.163 -2.345 1.00 0.00 O ATOM 0 H SER C 70 11.957 2.539 -2.045 1.00 0.00 H new ATOM 0 HA SER C 70 13.957 4.182 -0.741 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.928 4.361 -0.787 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.050 5.629 -0.335 1.00 0.00 H new ATOM 0 HG SER C 70 11.331 5.836 -2.536 1.00 0.00 H new ATOM 1071 N THR C 71 12.324 3.970 1.708 1.00 0.00 N ATOM 1072 CA THR C 71 11.989 3.433 3.004 1.00 0.00 C ATOM 1073 C THR C 71 10.482 3.359 3.132 1.00 0.00 C ATOM 1074 O THR C 71 9.799 4.385 3.179 1.00 0.00 O ATOM 1075 CB THR C 71 12.578 4.265 4.158 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.322 5.659 3.947 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.073 4.027 4.294 1.00 0.00 C ATOM 0 H THR C 71 12.153 4.969 1.591 1.00 0.00 H new ATOM 0 HA THR C 71 12.427 2.438 3.078 1.00 0.00 H new ATOM 0 HB THR C 71 12.094 3.949 5.082 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.126 6.176 4.162 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.464 4.627 5.116 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.257 2.972 4.495 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.572 4.312 3.368 1.00 0.00 H new ATOM 1085 N VAL C 72 9.969 2.141 3.177 1.00 0.00 N ATOM 1086 CA VAL C 72 8.535 1.898 3.151 1.00 0.00 C ATOM 1087 C VAL C 72 7.830 2.577 4.327 1.00 0.00 C ATOM 1088 O VAL C 72 6.618 2.777 4.303 1.00 0.00 O ATOM 1089 CB VAL C 72 8.237 0.374 3.156 1.00 0.00 C ATOM 1090 CG1 VAL C 72 6.795 0.078 2.802 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.161 -0.357 2.194 1.00 0.00 C ATOM 0 H VAL C 72 10.533 1.293 3.233 1.00 0.00 H new ATOM 0 HA VAL C 72 8.146 2.331 2.229 1.00 0.00 H new ATOM 0 HB VAL C 72 8.416 0.018 4.171 1.00 0.00 H new ATOM 0 HG11 VAL C 72 6.630 -0.999 2.817 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.137 0.556 3.527 1.00 0.00 H new ATOM 0 HG13 VAL C 72 6.578 0.464 1.806 1.00 0.00 H new ATOM 0 HG21 VAL C 72 8.936 -1.423 2.213 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.013 0.027 1.185 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.197 -0.200 2.494 1.00 0.00 H new ATOM 1101 N GLY C 73 8.598 2.966 5.334 1.00 0.00 N ATOM 1102 CA GLY C 73 8.014 3.625 6.487 1.00 0.00 C ATOM 1103 C GLY C 73 7.744 5.085 6.229 1.00 0.00 C ATOM 1104 O GLY C 73 6.653 5.579 6.522 1.00 0.00 O ATOM 0 H GLY C 73 9.609 2.839 5.375 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.083 3.127 6.756 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.686 3.526 7.339 1.00 0.00 H new ATOM 1108 N ASN C 74 8.719 5.782 5.656 1.00 0.00 N ATOM 1109 CA ASN C 74 8.521 7.180 5.308 1.00 0.00 C ATOM 1110 C ASN C 74 7.486 7.279 4.205 1.00 0.00 C ATOM 1111 O ASN C 74 6.653 8.181 4.195 1.00 0.00 O ATOM 1112 CB ASN C 74 9.826 7.853 4.861 1.00 0.00 C ATOM 1113 CG ASN C 74 10.801 8.077 6.003 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.696 9.057 6.742 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.787 7.203 6.126 1.00 0.00 N ATOM 0 H ASN C 74 9.640 5.408 5.426 1.00 0.00 H new ATOM 0 HA ASN C 74 8.174 7.703 6.199 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.303 7.237 4.099 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.593 8.811 4.396 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.493 7.329 6.852 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.841 6.403 5.495 1.00 0.00 H new ATOM 1122 N ILE C 75 7.516 6.311 3.298 1.00 0.00 N ATOM 1123 CA ILE C 75 6.615 6.306 2.164 1.00 0.00 C ATOM 1124 C ILE C 75 5.171 6.074 2.597 1.00 0.00 C ATOM 1125 O ILE C 75 4.303 6.927 2.397 1.00 0.00 O ATOM 1126 CB ILE C 75 6.993 5.207 1.153 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.437 5.370 0.667 1.00 0.00 C ATOM 1128 CG2 ILE C 75 6.031 5.232 -0.018 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.708 6.685 -0.028 1.00 0.00 C ATOM 0 H ILE C 75 8.158 5.519 3.330 1.00 0.00 H new ATOM 0 HA ILE C 75 6.705 7.287 1.697 1.00 0.00 H new ATOM 0 HB ILE C 75 6.921 4.241 1.653 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.109 5.277 1.520 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.674 4.554 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.304 4.453 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE C 75 5.017 5.057 0.341 1.00 0.00 H new ATOM 0 HG23 ILE C 75 6.080 6.204 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.751 6.723 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE C 75 8.063 6.774 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.505 7.508 0.658 1.00 0.00 H new ATOM 1141 N SER C 76 4.929 4.926 3.208 1.00 0.00 N ATOM 1142 CA SER C 76 3.575 4.459 3.436 1.00 0.00 C ATOM 1143 C SER C 76 2.846 5.272 4.480 1.00 0.00 C ATOM 1144 O SER C 76 1.693 5.636 4.289 1.00 0.00 O ATOM 1145 CB SER C 76 3.591 2.992 3.826 1.00 0.00 C ATOM 1146 OG SER C 76 4.374 2.252 2.908 1.00 0.00 O ATOM 0 H SER C 76 5.656 4.300 3.555 1.00 0.00 H new ATOM 0 HA SER C 76 3.029 4.585 2.501 1.00 0.00 H new ATOM 0 HB2 SER C 76 3.994 2.880 4.832 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.573 2.602 3.845 1.00 0.00 H new ATOM 0 HG SER C 76 5.324 2.416 3.082 1.00 0.00 H new ATOM 1152 N ASN C 77 3.505 5.571 5.574 1.00 0.00 N ATOM 1153 CA ASN C 77 2.838 6.305 6.645 1.00 0.00 C ATOM 1154 C ASN C 77 2.548 7.746 6.252 1.00 0.00 C ATOM 1155 O ASN C 77 1.710 8.396 6.871 1.00 0.00 O ATOM 1156 CB ASN C 77 3.603 6.224 7.957 1.00 0.00 C ATOM 1157 CG ASN C 77 2.995 5.202 8.908 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.657 5.137 8.972 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.718 4.498 9.607 1.00 0.00 N flip ATOM 0 H ASN C 77 4.479 5.329 5.753 1.00 0.00 H new ATOM 0 HA ASN C 77 1.877 5.817 6.807 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.641 5.960 7.756 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.610 7.204 8.434 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.732 4.575 9.531 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.304 3.836 10.264 1.00 0.00 H new ATOM 1166 N ASP C 78 3.216 8.248 5.216 1.00 0.00 N ATOM 1167 CA ASP C 78 2.797 9.509 4.608 1.00 0.00 C ATOM 1168 C ASP C 78 1.425 9.328 3.998 1.00 0.00 C ATOM 1169 O ASP C 78 0.515 10.108 4.260 1.00 0.00 O ATOM 1170 CB ASP C 78 3.770 9.980 3.532 1.00 0.00 C ATOM 1171 CG ASP C 78 4.944 10.750 4.099 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.324 10.506 5.263 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.491 11.613 3.381 1.00 0.00 O1- ATOM 0 H ASP C 78 4.033 7.812 4.787 1.00 0.00 H new ATOM 0 HA ASP C 78 2.777 10.269 5.389 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.140 9.116 2.980 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.239 10.610 2.819 1.00 0.00 H new ATOM 1178 N ILE C 79 1.289 8.262 3.211 1.00 0.00 N ATOM 1179 CA ILE C 79 0.009 7.863 2.632 1.00 0.00 C ATOM 1180 C ILE C 79 -1.050 7.754 3.718 1.00 0.00 C ATOM 1181 O ILE C 79 -2.229 8.039 3.503 1.00 0.00 O ATOM 1182 CB ILE C 79 0.116 6.484 1.935 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.084 6.534 0.756 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.253 5.991 1.482 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.286 5.188 0.093 1.00 0.00 C ATOM 0 H ILE C 79 2.065 7.650 2.957 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.266 8.624 1.902 1.00 0.00 H new ATOM 0 HB ILE C 79 0.509 5.777 2.666 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.711 7.243 0.017 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.047 6.910 1.101 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.148 5.021 0.996 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.909 5.894 2.347 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.682 6.705 0.779 1.00 0.00 H new ATOM 0 HD11 ILE C 79 1.985 5.292 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.688 4.481 0.819 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.331 4.820 -0.281 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.613 7.362 4.896 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.533 7.044 5.956 1.00 0.00 C ATOM 1199 C ASN C 80 -1.943 8.283 6.720 1.00 0.00 C ATOM 1200 O ASN C 80 -3.094 8.403 7.127 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.927 6.004 6.900 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.493 4.743 6.175 1.00 0.00 C ATOM 1203 OD1 ASN C 80 0.555 4.100 6.671 1.00 0.00 O flip ATOM 1204 ND2 ASN C 80 -1.085 4.348 5.179 1.00 0.00 N flip ATOM 0 H ASN C 80 0.372 7.257 5.139 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.430 6.621 5.503 1.00 0.00 H new ATOM 0 HB2 ASN C 80 -0.068 6.439 7.411 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.657 5.745 7.667 1.00 0.00 H new ATOM 0 HD21 ASN C 80 -1.888 4.867 4.824 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.775 3.500 4.704 1.00 0.00 H new ATOM 1211 N LYS C 81 -1.016 9.216 6.898 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.337 10.485 7.536 1.00 0.00 C ATOM 1213 C LYS C 81 -2.444 11.186 6.761 1.00 0.00 C ATOM 1214 O LYS C 81 -3.272 11.887 7.332 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.096 11.376 7.632 1.00 0.00 C ATOM 1216 CG LYS C 81 0.947 10.851 8.606 1.00 0.00 C ATOM 1217 CD LYS C 81 2.160 11.767 8.691 1.00 0.00 C ATOM 1218 CE LYS C 81 3.008 11.700 7.431 1.00 0.00 C ATOM 1219 NZ LYS C 81 4.221 12.553 7.530 1.00 0.00 N1+ ATOM 0 H LYS C 81 -0.042 9.118 6.611 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.685 10.289 8.550 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.354 11.468 6.643 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.399 12.377 7.939 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.500 10.748 9.595 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.265 9.856 8.295 1.00 0.00 H new ATOM 0 HD2 LYS C 81 1.830 12.793 8.853 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.767 11.488 9.553 1.00 0.00 H new ATOM 0 HE2 LYS C 81 3.305 10.667 7.248 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.411 12.016 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.963 12.175 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 3.987 13.524 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 4.563 12.557 8.512 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.472 10.945 5.457 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.497 11.502 4.584 1.00 0.00 C ATOM 1235 C LEU C 82 -4.887 11.063 5.040 1.00 0.00 C ATOM 1236 O LEU C 82 -5.859 11.798 4.856 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.285 11.024 3.144 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.830 10.964 2.666 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.774 10.524 1.211 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.147 12.315 2.836 1.00 0.00 C ATOM 0 H LEU C 82 -1.788 10.361 4.976 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.422 12.588 4.631 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.721 10.030 3.044 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.839 11.684 2.477 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.298 10.234 3.277 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.735 10.485 0.882 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.223 9.536 1.112 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.323 11.235 0.594 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.116 12.247 2.490 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.677 13.067 2.252 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.159 12.599 3.888 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.950 9.893 5.681 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.220 9.229 5.999 1.00 0.00 C ATOM 1254 C ASN C 83 -7.188 9.326 4.825 1.00 0.00 C ATOM 1255 O ASN C 83 -8.054 10.200 4.766 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.820 9.771 7.297 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.493 8.873 8.487 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -7.259 8.801 9.447 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.357 8.169 8.430 1.00 0.00 N ATOM 0 H ASN C 83 -4.126 9.380 5.994 1.00 0.00 H new ATOM 0 HA ASN C 83 -6.023 8.170 6.167 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.439 10.775 7.483 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.902 9.855 7.191 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -5.103 7.548 9.198 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.745 8.253 7.618 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.997 8.410 3.886 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.694 8.423 2.609 1.00 0.00 C ATOM 1268 C ILE C 84 -9.185 8.191 2.766 1.00 0.00 C ATOM 1269 O ILE C 84 -9.615 7.203 3.354 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.113 7.350 1.676 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.597 7.510 1.621 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.722 7.453 0.282 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -4.905 6.529 0.698 1.00 0.00 C ATOM 0 H ILE C 84 -6.348 7.630 3.991 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.549 9.414 2.179 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.358 6.362 2.065 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.361 8.524 1.299 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.193 7.393 2.627 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.294 6.683 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.801 7.315 0.345 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.506 8.436 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.830 6.709 0.716 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.108 5.511 1.031 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.278 6.660 -0.318 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.959 9.092 2.186 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.416 9.047 2.262 1.00 0.00 C ATOM 1287 C LYS C 85 -11.993 8.070 1.246 1.00 0.00 C ATOM 1288 O LYS C 85 -13.115 8.239 0.761 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.982 10.436 2.009 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.464 11.072 0.718 1.00 0.00 C ATOM 1291 CD LYS C 85 -11.136 12.545 0.907 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.957 12.737 1.852 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.506 14.151 1.899 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.598 9.879 1.647 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.694 8.706 3.259 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.069 10.376 1.966 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.732 11.082 2.850 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.573 10.541 0.383 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.213 10.964 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -10.906 12.995 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -12.009 13.066 1.302 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -10.239 12.413 2.854 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -9.130 12.103 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.702 14.238 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -9.212 14.454 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -10.287 14.754 2.228 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.227 7.054 0.931 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.641 6.091 -0.048 1.00 0.00 C ATOM 1309 C GLY C 86 -11.124 4.715 0.298 1.00 0.00 C ATOM 1310 O GLY C 86 -9.919 4.487 0.264 1.00 0.00 O ATOM 0 H GLY C 86 -10.311 6.876 1.343 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -12.729 6.071 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.274 6.385 -1.031 1.00 0.00 H new ATOM 1314 N PRO C 87 -12.008 3.778 0.655 1.00 0.00 N ATOM 1315 CA PRO C 87 -11.600 2.453 1.120 1.00 0.00 C ATOM 1316 C PRO C 87 -11.270 1.490 -0.017 1.00 0.00 C ATOM 1317 O PRO C 87 -10.664 0.448 0.205 1.00 0.00 O ATOM 1318 CB PRO C 87 -12.830 1.974 1.882 1.00 0.00 C ATOM 1319 CG PRO C 87 -13.973 2.599 1.160 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.477 3.936 0.668 1.00 0.00 C ATOM 0 HA PRO C 87 -10.686 2.494 1.712 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -12.903 0.886 1.877 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -12.799 2.287 2.926 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.297 1.974 0.328 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -14.831 2.721 1.821 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.864 4.167 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.787 4.746 1.328 1.00 0.00 H new ATOM 1328 N TYR C 88 -11.654 1.837 -1.235 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.408 0.956 -2.362 1.00 0.00 C ATOM 1330 C TYR C 88 -10.145 1.411 -3.065 1.00 0.00 C ATOM 1331 O TYR C 88 -10.168 2.347 -3.862 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.597 0.965 -3.323 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.938 0.931 -2.623 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -14.724 2.074 -2.542 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.413 -0.234 -2.033 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -15.943 2.055 -1.896 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -15.630 -0.258 -1.387 1.00 0.00 C ATOM 1338 CZ TYR C 88 -16.390 0.887 -1.320 1.00 0.00 C ATOM 1339 OH TYR C 88 -17.601 0.868 -0.671 1.00 0.00 O ATOM 0 H TYR C 88 -12.130 2.709 -1.466 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.281 -0.067 -2.008 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.544 1.858 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.522 0.106 -3.990 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -14.375 2.992 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -13.819 -1.135 -2.081 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.543 2.951 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -15.986 -1.172 -0.935 1.00 0.00 H new ATOM 0 HH TYR C 88 -18.223 0.286 -1.155 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.043 0.754 -2.760 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.748 1.243 -3.179 1.00 0.00 C ATOM 1351 C ILE C 89 -6.963 0.209 -3.953 1.00 0.00 C ATOM 1352 O ILE C 89 -6.845 -0.945 -3.546 1.00 0.00 O ATOM 1353 CB ILE C 89 -6.908 1.710 -1.969 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -7.630 2.844 -1.252 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -5.518 2.156 -2.409 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -6.867 3.409 -0.074 1.00 0.00 C ATOM 0 H ILE C 89 -9.020 -0.115 -2.226 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.945 2.089 -3.838 1.00 0.00 H new ATOM 0 HB ILE C 89 -6.787 0.872 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -7.824 3.646 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -8.599 2.483 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -4.947 2.480 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.004 1.324 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -5.607 2.984 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -7.446 4.211 0.383 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -6.695 2.621 0.660 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -5.909 3.802 -0.415 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.419 0.651 -5.067 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.459 -0.127 -5.804 1.00 0.00 C ATOM 1370 C GLU C 90 -4.080 0.221 -5.293 1.00 0.00 C ATOM 1371 O GLU C 90 -3.502 1.230 -5.694 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.522 0.235 -7.279 1.00 0.00 C ATOM 1373 CG GLU C 90 -6.883 0.031 -7.910 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.181 -1.423 -8.172 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -6.784 -1.930 -9.242 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.810 -2.065 -7.319 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.632 1.558 -5.482 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.673 -1.188 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.231 1.279 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -4.789 -0.364 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.650 0.444 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -6.933 0.584 -8.848 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.559 -0.585 -4.401 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.231 -0.351 -3.905 1.00 0.00 C ATOM 1385 C ILE C 91 -1.318 -1.449 -4.461 1.00 0.00 C ATOM 1386 O ILE C 91 -1.277 -2.581 -3.985 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.243 -0.245 -2.347 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -0.985 0.447 -1.830 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -2.408 -1.600 -1.683 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.094 0.915 -0.396 1.00 0.00 C ATOM 0 H ILE C 91 -4.030 -1.400 -4.009 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.835 0.605 -4.246 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.109 0.362 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -0.142 -0.239 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -0.765 1.304 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -2.411 -1.477 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.350 -2.048 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -1.582 -2.250 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -0.163 1.397 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.915 1.626 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.283 0.060 0.253 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.637 -1.114 -5.542 1.00 0.00 N ATOM 1403 CA LYS C 92 0.143 -2.084 -6.284 1.00 0.00 C ATOM 1404 C LYS C 92 1.286 -1.398 -7.004 1.00 0.00 C ATOM 1405 O LYS C 92 1.408 -0.179 -6.973 1.00 0.00 O ATOM 1406 CB LYS C 92 -0.786 -2.699 -7.311 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.505 -1.605 -8.079 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.612 -2.112 -8.965 1.00 0.00 C ATOM 1409 CE LYS C 92 -3.558 -3.054 -8.230 1.00 0.00 C ATOM 1410 NZ LYS C 92 -4.649 -3.551 -9.109 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.610 -0.170 -5.927 1.00 0.00 H new ATOM 0 HA LYS C 92 0.559 -2.835 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.218 -3.325 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.511 -3.345 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -1.919 -0.888 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -0.781 -1.067 -8.690 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -3.177 -1.266 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -2.180 -2.630 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -2.994 -3.901 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -3.991 -2.537 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -5.122 -4.357 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -5.339 -2.790 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.250 -3.854 -10.020 1.00 0.00 H new ATOM 1424 N GLN C 93 2.108 -2.173 -7.674 1.00 0.00 N ATOM 1425 CA GLN C 93 3.150 -1.594 -8.483 1.00 0.00 C ATOM 1426 C GLN C 93 2.842 -1.756 -9.957 1.00 0.00 C ATOM 1427 O GLN C 93 1.993 -2.558 -10.351 1.00 0.00 O ATOM 1428 CB GLN C 93 4.519 -2.156 -8.125 1.00 0.00 C ATOM 1429 CG GLN C 93 4.507 -3.615 -7.712 1.00 0.00 C ATOM 1430 CD GLN C 93 5.862 -4.088 -7.226 1.00 0.00 C ATOM 1431 OE1 GLN C 93 6.195 -5.269 -7.328 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.667 -3.164 -6.726 1.00 0.00 N ATOM 0 H GLN C 93 2.075 -3.192 -7.674 1.00 0.00 H new ATOM 0 HA GLN C 93 3.183 -0.526 -8.268 1.00 0.00 H new ATOM 0 HB2 GLN C 93 5.182 -2.039 -8.982 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.940 -1.564 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.770 -3.760 -6.923 1.00 0.00 H new ATOM 0 HG3 GLN C 93 4.193 -4.227 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.353 -2.196 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.602 -3.420 -6.408 1.00 0.00 H new ATOM 1441 N ILE C 94 3.541 -0.980 -10.754 1.00 0.00 N ATOM 1442 CA ILE C 94 3.199 -0.781 -12.145 1.00 0.00 C ATOM 1443 C ILE C 94 4.305 -1.284 -13.065 1.00 0.00 C ATOM 1444 O ILE C 94 4.699 -0.550 -13.995 1.00 0.00 O ATOM 1445 CB ILE C 94 2.935 0.723 -12.377 1.00 0.00 C ATOM 1446 CG1 ILE C 94 4.032 1.557 -11.690 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.570 1.090 -11.828 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.688 3.017 -11.479 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.803 -2.403 -12.828 1.00 0.00 O ATOM 0 H ILE C 94 4.369 -0.465 -10.454 1.00 0.00 H new ATOM 0 HA ILE C 94 2.302 -1.354 -12.381 1.00 0.00 H new ATOM 0 HB ILE C 94 2.954 0.935 -13.446 1.00 0.00 H new ATOM 0 HG12 ILE C 94 4.256 1.108 -10.722 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.942 1.496 -12.288 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.385 2.152 -11.992 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.804 0.505 -12.337 1.00 0.00 H new ATOM 0 HG23 ILE C 94 1.538 0.877 -10.759 1.00 0.00 H new ATOM 0 HD11 ILE C 94 4.522 3.520 -10.989 1.00 0.00 H new ATOM 0 HD12 ILE C 94 3.495 3.488 -12.443 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.799 3.095 -10.853 1.00 0.00 H new TER 1461 ILE C 94