USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=30 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 22 LYS NZ :NH3+ 180:sc= 0.864 (180deg=0.864) USER MOD Set 1.2: C 93 GLN :FLIP amide:sc= -0.416 F(o=-0.5,f=0.45) USER MOD Set 2.1: C 77 ASN :FLIP amide:sc= 0.563 F(o=-9.4!,f=-5.1) USER MOD Set 2.2: C 80 ASN : amide:sc= -5.7! C(o=-5.1!,f=-5.6!) USER MOD Set 3.1: C 71 THR OG1 : rot -130:sc= 0.944 USER MOD Set 3.2: C 74 ASN : amide:sc= 1.18 K(o=2.1,f=0.88) USER MOD Set 4.1: C 62 LYS NZ :NH3+ -110:sc= 0.498 (180deg=-0.041) USER MOD Set 4.2: C 65 THR OG1 : rot -90:sc= 0.00952 USER MOD Set 5.1: C 32 ASN : amide:sc= 0.64 K(o=3.5,f=-2.4) USER MOD Set 5.2: C 35 GLN : amide:sc= 0.977 K(o=3.5,f=-5.3!) USER MOD Set 5.3: C 37 LYS NZ :NH3+ -132:sc= 1.9 (180deg=-0.0633) USER MOD Set 6.1: C 26 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Set 6.2: C 42 ASN : amide:sc= -3.57! C(o=-2.3!,f=-4!) USER MOD Set 7.1: C 14 ASN : amide:sc= -0.0165 K(o=-2.9,f=-5) USER MOD Set 7.2: C 17 ASN :FLIP amide:sc= -2.85! C(o=-4.5!,f=-2.9!) USER MOD Set 8.1: C 2 ASN : amide:sc= -0.133 X(o=0.15,f=0.26) USER MOD Set 8.2: C 3 GLN : amide:sc= 0.285! C(o=0.15!,f=-12!) USER MOD Single : C 1 ASP N :NH3+ 153:sc= 0.968 (180deg=0.446) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 9 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.6!) USER MOD Single : C 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 11 ASN : amide:sc= -0.172 K(o=-0.17,f=-3.4!) USER MOD Single : C 12 SER OG : rot 82:sc= 0.845 USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 19 LYS NZ :NH3+ -161:sc= -0.0533 (180deg=-0.369) USER MOD Single : C 21 ASN : amide:sc= 0.126 K(o=0.13,f=-1.7) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc=-0.00229 USER MOD Single : C 31 MET CE :methyl 153:sc= -0.216 (180deg=-1.93!) USER MOD Single : C 34 ASN : amide:sc= -0.884! X(o=-0.88!,f=-0.48) USER MOD Single : C 39 THR OG1 : rot 27:sc= -0.0296 USER MOD Single : C 40 SER OG : rot 43:sc= -0.723 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 -25:sc= 0.0631 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -161:sc= -0.105 (180deg=-0.535) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.425 F(o=-4!,f=-0.43) USER MOD Single : C 59 ASN : amide:sc=-0.00159 K(o=-0.0016,f=-3.2!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : C 69 LYS NZ :NH3+ -150:sc= 1.21 (180deg=0.657) USER MOD Single : C 70 SER OG : rot 7:sc= 0.768 USER MOD Single : C 76 SER OG : rot 79:sc= -0.2 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN :FLIP amide:sc= -1.81! C(o=-4.9!,f=-1.8!) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot -161:sc= 1.11 USER MOD Single : C 92 LYS NZ :NH3+ 128:sc= -0.171 (180deg=-0.762) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -18.109 0.992 -9.576 1.00 0.00 N ATOM 2 CA ASP C 1 -17.300 0.658 -8.381 1.00 0.00 C ATOM 3 C ASP C 1 -17.974 -0.452 -7.585 1.00 0.00 C ATOM 4 O ASP C 1 -18.880 -0.193 -6.794 1.00 0.00 O ATOM 5 CB ASP C 1 -17.128 1.897 -7.495 1.00 0.00 C ATOM 6 CG ASP C 1 -16.452 3.046 -8.217 1.00 0.00 C ATOM 7 OD1 ASP C 1 -15.437 3.564 -7.705 1.00 0.00 O ATOM 8 OD2 ASP C 1 -16.932 3.436 -9.300 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -17.935 1.981 -9.848 1.00 0.00 H new ATOM 0 H2 ASP C 1 -17.843 0.365 -10.362 1.00 0.00 H new ATOM 0 H3 ASP C 1 -19.118 0.865 -9.359 1.00 0.00 H new ATOM 0 HA ASP C 1 -16.319 0.316 -8.710 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -18.106 2.222 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -16.541 1.631 -6.616 1.00 0.00 H new ATOM 13 N ASN C 2 -17.530 -1.689 -7.783 1.00 0.00 N ATOM 14 CA ASN C 2 -18.147 -2.828 -7.112 1.00 0.00 C ATOM 15 C ASN C 2 -17.203 -3.398 -6.068 1.00 0.00 C ATOM 16 O ASN C 2 -17.619 -4.085 -5.140 1.00 0.00 O ATOM 17 CB ASN C 2 -18.550 -3.915 -8.119 1.00 0.00 C ATOM 18 CG ASN C 2 -17.395 -4.394 -8.979 1.00 0.00 C ATOM 19 OD1 ASN C 2 -17.175 -3.892 -10.079 1.00 0.00 O ATOM 20 ND2 ASN C 2 -16.639 -5.353 -8.476 1.00 0.00 N ATOM 0 H ASN C 2 -16.752 -1.928 -8.397 1.00 0.00 H new ATOM 0 HA ASN C 2 -19.052 -2.478 -6.616 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -18.968 -4.764 -7.579 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -19.339 -3.528 -8.764 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -15.840 -5.702 -9.005 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -16.854 -5.744 -7.559 1.00 0.00 H new ATOM 27 N GLN C 3 -15.924 -3.090 -6.220 1.00 0.00 N ATOM 28 CA GLN C 3 -14.915 -3.479 -5.244 1.00 0.00 C ATOM 29 C GLN C 3 -14.884 -2.450 -4.132 1.00 0.00 C ATOM 30 O GLN C 3 -14.020 -2.483 -3.259 1.00 0.00 O ATOM 31 CB GLN C 3 -13.522 -3.552 -5.877 1.00 0.00 C ATOM 32 CG GLN C 3 -13.502 -4.042 -7.313 1.00 0.00 C ATOM 33 CD GLN C 3 -13.766 -2.920 -8.300 1.00 0.00 C ATOM 34 OE1 GLN C 3 -14.912 -2.637 -8.652 1.00 0.00 O ATOM 35 NE2 GLN C 3 -12.717 -2.261 -8.749 1.00 0.00 N ATOM 0 H GLN C 3 -15.557 -2.568 -7.016 1.00 0.00 H new ATOM 0 HA GLN C 3 -15.175 -4.465 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -13.069 -2.562 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -12.898 -4.211 -5.274 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -12.534 -4.494 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -14.253 -4.821 -7.441 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -11.781 -2.520 -8.438 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -12.841 -1.492 -9.407 1.00 0.00 H new ATOM 44 N LYS C 4 -15.842 -1.538 -4.195 1.00 0.00 N ATOM 45 CA LYS C 4 -15.907 -0.401 -3.302 1.00 0.00 C ATOM 46 C LYS C 4 -16.076 -0.864 -1.864 1.00 0.00 C ATOM 47 O LYS C 4 -15.333 -0.453 -0.979 1.00 0.00 O ATOM 48 CB LYS C 4 -17.068 0.499 -3.731 1.00 0.00 C ATOM 49 CG LYS C 4 -17.075 1.869 -3.076 1.00 0.00 C ATOM 50 CD LYS C 4 -18.220 2.722 -3.601 1.00 0.00 C ATOM 51 CE LYS C 4 -18.238 4.097 -2.954 1.00 0.00 C ATOM 52 NZ LYS C 4 -19.393 4.912 -3.411 1.00 0.00 N1+ ATOM 0 H LYS C 4 -16.601 -1.570 -4.875 1.00 0.00 H new ATOM 0 HA LYS C 4 -14.977 0.165 -3.357 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -17.032 0.627 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -18.007 -0.005 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -17.166 1.758 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -16.126 2.371 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -18.128 2.829 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -19.167 2.217 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -18.278 3.987 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -17.310 4.620 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -19.367 5.842 -2.946 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -19.342 5.039 -4.442 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -20.279 4.426 -3.166 1.00 0.00 H new ATOM 66 N ALA C 5 -17.078 -1.692 -1.635 1.00 0.00 N ATOM 67 CA ALA C 5 -17.262 -2.312 -0.337 1.00 0.00 C ATOM 68 C ALA C 5 -16.613 -3.691 -0.283 1.00 0.00 C ATOM 69 O ALA C 5 -16.027 -4.077 0.727 1.00 0.00 O ATOM 70 CB ALA C 5 -18.743 -2.399 0.007 1.00 0.00 C ATOM 0 H ALA C 5 -17.777 -1.951 -2.331 1.00 0.00 H new ATOM 0 HA ALA C 5 -16.769 -1.686 0.407 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -18.863 -2.867 0.984 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -19.171 -1.397 0.030 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -19.257 -2.996 -0.746 1.00 0.00 H new ATOM 76 N LEU C 6 -16.726 -4.423 -1.380 1.00 0.00 N ATOM 77 CA LEU C 6 -16.378 -5.843 -1.391 1.00 0.00 C ATOM 78 C LEU C 6 -14.924 -6.127 -1.798 1.00 0.00 C ATOM 79 O LEU C 6 -14.017 -6.075 -0.969 1.00 0.00 O ATOM 80 CB LEU C 6 -17.325 -6.639 -2.305 1.00 0.00 C ATOM 81 CG LEU C 6 -18.806 -6.675 -1.895 1.00 0.00 C ATOM 82 CD1 LEU C 6 -18.956 -6.941 -0.404 1.00 0.00 C ATOM 83 CD2 LEU C 6 -19.514 -5.388 -2.293 1.00 0.00 C ATOM 0 H LEU C 6 -17.055 -4.062 -2.275 1.00 0.00 H new ATOM 0 HA LEU C 6 -16.491 -6.169 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -17.259 -6.222 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -16.962 -7.665 -2.361 1.00 0.00 H new ATOM 0 HG LEU C 6 -19.280 -7.498 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -20.014 -6.961 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -18.503 -7.902 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -18.458 -6.151 0.158 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -20.560 -5.440 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -19.036 -4.542 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -19.454 -5.259 -3.374 1.00 0.00 H new ATOM 95 N GLU C 7 -14.728 -6.395 -3.094 1.00 0.00 N ATOM 96 CA GLU C 7 -13.538 -7.097 -3.604 1.00 0.00 C ATOM 97 C GLU C 7 -12.201 -6.562 -3.078 1.00 0.00 C ATOM 98 O GLU C 7 -11.442 -7.314 -2.464 1.00 0.00 O ATOM 99 CB GLU C 7 -13.539 -7.089 -5.134 1.00 0.00 C ATOM 100 CG GLU C 7 -12.447 -7.949 -5.750 1.00 0.00 C ATOM 101 CD GLU C 7 -12.520 -9.392 -5.292 1.00 0.00 C ATOM 102 OE1 GLU C 7 -11.705 -9.790 -4.435 1.00 0.00 O ATOM 103 OE2 GLU C 7 -13.401 -10.131 -5.780 1.00 0.00 O1- ATOM 0 H GLU C 7 -15.391 -6.132 -3.823 1.00 0.00 H new ATOM 0 HA GLU C 7 -13.616 -8.115 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -14.508 -7.438 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -13.422 -6.063 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -12.528 -7.911 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -11.473 -7.537 -5.488 1.00 0.00 H new ATOM 110 N GLU C 8 -11.899 -5.286 -3.315 1.00 0.00 N ATOM 111 CA GLU C 8 -10.584 -4.745 -2.963 1.00 0.00 C ATOM 112 C GLU C 8 -10.291 -4.855 -1.464 1.00 0.00 C ATOM 113 O GLU C 8 -9.135 -4.925 -1.066 1.00 0.00 O ATOM 114 CB GLU C 8 -10.445 -3.291 -3.419 1.00 0.00 C ATOM 115 CG GLU C 8 -10.195 -3.134 -4.913 1.00 0.00 C ATOM 116 CD GLU C 8 -8.894 -3.772 -5.366 1.00 0.00 C ATOM 117 OE1 GLU C 8 -8.926 -4.926 -5.836 1.00 0.00 O ATOM 118 OE2 GLU C 8 -7.836 -3.115 -5.274 1.00 0.00 O1- ATOM 0 H GLU C 8 -12.536 -4.614 -3.743 1.00 0.00 H new ATOM 0 HA GLU C 8 -9.849 -5.353 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -11.353 -2.749 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -9.625 -2.826 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -11.023 -3.580 -5.463 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -10.180 -2.073 -5.164 1.00 0.00 H new ATOM 125 N GLN C 9 -11.331 -4.885 -0.636 1.00 0.00 N ATOM 126 CA GLN C 9 -11.144 -4.979 0.812 1.00 0.00 C ATOM 127 C GLN C 9 -11.235 -6.429 1.278 1.00 0.00 C ATOM 128 O GLN C 9 -11.266 -6.713 2.478 1.00 0.00 O ATOM 129 CB GLN C 9 -12.169 -4.119 1.560 1.00 0.00 C ATOM 130 CG GLN C 9 -11.870 -2.623 1.541 1.00 0.00 C ATOM 131 CD GLN C 9 -11.858 -2.037 0.144 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.894 -1.650 -0.382 1.00 0.00 O ATOM 133 NE2 GLN C 9 -10.681 -1.939 -0.453 1.00 0.00 N ATOM 0 H GLN C 9 -12.305 -4.846 -0.937 1.00 0.00 H new ATOM 0 HA GLN C 9 -10.148 -4.601 1.040 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -13.153 -4.286 1.123 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -12.219 -4.454 2.596 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -12.616 -2.102 2.141 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.903 -2.446 2.011 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -9.841 -2.273 0.019 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -10.614 -1.529 -1.385 1.00 0.00 H new ATOM 142 N MET C 10 -11.280 -7.340 0.322 1.00 0.00 N ATOM 143 CA MET C 10 -11.310 -8.766 0.613 1.00 0.00 C ATOM 144 C MET C 10 -9.950 -9.385 0.306 1.00 0.00 C ATOM 145 O MET C 10 -8.919 -8.763 0.544 1.00 0.00 O ATOM 146 CB MET C 10 -12.416 -9.458 -0.190 1.00 0.00 C ATOM 147 CG MET C 10 -13.816 -8.994 0.167 1.00 0.00 C ATOM 148 SD MET C 10 -14.209 -9.247 1.908 1.00 0.00 S ATOM 149 CE MET C 10 -15.878 -8.596 1.972 1.00 0.00 C ATOM 0 H MET C 10 -11.297 -7.116 -0.673 1.00 0.00 H new ATOM 0 HA MET C 10 -11.528 -8.906 1.672 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.245 -9.282 -1.252 1.00 0.00 H new ATOM 0 HB3 MET C 10 -12.349 -10.534 -0.030 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.916 -7.936 -0.074 1.00 0.00 H new ATOM 0 HG3 MET C 10 -14.540 -9.531 -0.446 1.00 0.00 H new ATOM 0 HE1 MET C 10 -16.263 -8.681 2.988 1.00 0.00 H new ATOM 0 HE2 MET C 10 -15.871 -7.548 1.673 1.00 0.00 H new ATOM 0 HE3 MET C 10 -16.516 -9.162 1.293 1.00 0.00 H new ATOM 159 N ASN C 11 -9.946 -10.609 -0.217 1.00 0.00 N ATOM 160 CA ASN C 11 -8.701 -11.326 -0.508 1.00 0.00 C ATOM 161 C ASN C 11 -7.778 -10.511 -1.407 1.00 0.00 C ATOM 162 O ASN C 11 -6.566 -10.692 -1.368 1.00 0.00 O ATOM 163 CB ASN C 11 -8.988 -12.682 -1.166 1.00 0.00 C ATOM 164 CG ASN C 11 -9.785 -13.622 -0.280 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.635 -13.197 0.504 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.512 -14.911 -0.392 1.00 0.00 N ATOM 0 H ASN C 11 -10.792 -11.129 -0.450 1.00 0.00 H new ATOM 0 HA ASN C 11 -8.200 -11.489 0.446 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.534 -12.519 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -8.043 -13.157 -1.431 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -10.012 -15.590 0.182 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -8.801 -15.226 -1.052 1.00 0.00 H new ATOM 173 N SER C 12 -8.351 -9.612 -2.199 1.00 0.00 N ATOM 174 CA SER C 12 -7.568 -8.759 -3.085 1.00 0.00 C ATOM 175 C SER C 12 -6.490 -7.981 -2.320 1.00 0.00 C ATOM 176 O SER C 12 -5.320 -8.007 -2.702 1.00 0.00 O ATOM 177 CB SER C 12 -8.490 -7.796 -3.833 1.00 0.00 C ATOM 178 OG SER C 12 -9.368 -8.501 -4.697 1.00 0.00 O ATOM 0 H SER C 12 -9.358 -9.455 -2.246 1.00 0.00 H new ATOM 0 HA SER C 12 -7.059 -9.402 -3.803 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.069 -7.212 -3.118 1.00 0.00 H new ATOM 0 HB3 SER C 12 -7.893 -7.091 -4.411 1.00 0.00 H new ATOM 0 HG SER C 12 -10.129 -8.843 -4.182 1.00 0.00 H new ATOM 184 N ILE C 13 -6.876 -7.318 -1.232 1.00 0.00 N ATOM 185 CA ILE C 13 -5.930 -6.520 -0.452 1.00 0.00 C ATOM 186 C ILE C 13 -4.992 -7.414 0.358 1.00 0.00 C ATOM 187 O ILE C 13 -3.812 -7.110 0.516 1.00 0.00 O ATOM 188 CB ILE C 13 -6.642 -5.533 0.507 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.617 -4.711 1.294 1.00 0.00 C ATOM 190 CG2 ILE C 13 -7.574 -6.268 1.461 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.237 -3.834 2.359 1.00 0.00 C ATOM 0 H ILE C 13 -7.830 -7.316 -0.872 1.00 0.00 H new ATOM 0 HA ILE C 13 -5.353 -5.942 -1.174 1.00 0.00 H new ATOM 0 HB ILE C 13 -7.243 -4.855 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.903 -5.388 1.762 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.055 -4.085 0.601 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -8.059 -5.549 2.121 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -8.331 -6.804 0.889 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.999 -6.978 2.056 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -5.453 -3.281 2.876 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -6.930 -3.133 1.895 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.775 -4.456 3.075 1.00 0.00 H new ATOM 203 N ASN C 14 -5.517 -8.522 0.854 1.00 0.00 N ATOM 204 CA ASN C 14 -4.738 -9.424 1.696 1.00 0.00 C ATOM 205 C ASN C 14 -3.710 -10.171 0.869 1.00 0.00 C ATOM 206 O ASN C 14 -2.605 -10.442 1.334 1.00 0.00 O ATOM 207 CB ASN C 14 -5.645 -10.416 2.400 1.00 0.00 C ATOM 208 CG ASN C 14 -6.676 -9.740 3.284 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.432 -8.668 3.835 1.00 0.00 O ATOM 210 ND2 ASN C 14 -7.836 -10.359 3.421 1.00 0.00 N ATOM 0 H ASN C 14 -6.478 -8.821 0.690 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.222 -8.823 2.445 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.155 -11.027 1.656 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -5.039 -11.090 3.005 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -8.568 -9.948 4.001 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -7.999 -11.247 2.947 1.00 0.00 H new ATOM 217 N SER C 15 -4.084 -10.513 -0.355 1.00 0.00 N ATOM 218 CA SER C 15 -3.140 -11.067 -1.309 1.00 0.00 C ATOM 219 C SER C 15 -1.994 -10.080 -1.504 1.00 0.00 C ATOM 220 O SER C 15 -0.829 -10.467 -1.586 1.00 0.00 O ATOM 221 CB SER C 15 -3.841 -11.348 -2.641 1.00 0.00 C ATOM 222 OG SER C 15 -2.967 -11.955 -3.574 1.00 0.00 O ATOM 0 H SER C 15 -5.036 -10.416 -0.709 1.00 0.00 H new ATOM 0 HA SER C 15 -2.743 -12.008 -0.929 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.700 -11.998 -2.471 1.00 0.00 H new ATOM 0 HB3 SER C 15 -4.224 -10.415 -3.055 1.00 0.00 H new ATOM 0 HG SER C 15 -3.447 -12.122 -4.412 1.00 0.00 H new ATOM 228 N VAL C 16 -2.341 -8.798 -1.544 1.00 0.00 N ATOM 229 CA VAL C 16 -1.352 -7.736 -1.607 1.00 0.00 C ATOM 230 C VAL C 16 -0.540 -7.682 -0.315 1.00 0.00 C ATOM 231 O VAL C 16 0.649 -7.384 -0.341 1.00 0.00 O ATOM 232 CB VAL C 16 -2.007 -6.359 -1.863 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.987 -5.240 -1.760 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.668 -6.321 -3.229 1.00 0.00 C ATOM 0 H VAL C 16 -3.307 -8.471 -1.534 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.690 -7.961 -2.443 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.767 -6.211 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -1.476 -4.284 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL C 16 -0.550 -5.237 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL C 16 -0.201 -5.395 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -3.122 -5.343 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.920 -6.502 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.438 -7.091 -3.282 1.00 0.00 H new ATOM 244 N ASN C 17 -1.170 -7.991 0.818 1.00 0.00 N ATOM 245 CA ASN C 17 -0.442 -8.012 2.091 1.00 0.00 C ATOM 246 C ASN C 17 0.694 -9.024 2.020 1.00 0.00 C ATOM 247 O ASN C 17 1.827 -8.737 2.414 1.00 0.00 O ATOM 248 CB ASN C 17 -1.352 -8.363 3.274 1.00 0.00 C ATOM 249 CG ASN C 17 -2.438 -7.337 3.542 1.00 0.00 C ATOM 250 OD1 ASN C 17 -2.214 -6.096 3.137 1.00 0.00 O flip ATOM 251 ND2 ASN C 17 -3.483 -7.665 4.103 1.00 0.00 N flip ATOM 0 H ASN C 17 -2.160 -8.226 0.884 1.00 0.00 H new ATOM 0 HA ASN C 17 -0.049 -7.008 2.254 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.818 -9.330 3.086 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.741 -8.472 4.170 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.620 -8.631 4.401 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -4.212 -6.971 4.270 1.00 0.00 H new ATOM 258 N ASP C 18 0.383 -10.198 1.483 1.00 0.00 N ATOM 259 CA ASP C 18 1.365 -11.267 1.324 1.00 0.00 C ATOM 260 C ASP C 18 2.335 -10.939 0.197 1.00 0.00 C ATOM 261 O ASP C 18 3.414 -11.520 0.098 1.00 0.00 O ATOM 262 CB ASP C 18 0.667 -12.597 1.025 1.00 0.00 C ATOM 263 CG ASP C 18 -0.261 -13.039 2.137 1.00 0.00 C ATOM 264 OD1 ASP C 18 -1.461 -13.258 1.866 1.00 0.00 O ATOM 265 OD2 ASP C 18 0.201 -13.169 3.289 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.550 -10.436 1.147 1.00 0.00 H new ATOM 0 HA ASP C 18 1.920 -11.356 2.258 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.098 -12.503 0.100 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.420 -13.367 0.859 1.00 0.00 H new ATOM 270 N LYS C 19 1.942 -9.992 -0.638 1.00 0.00 N ATOM 271 CA LYS C 19 2.724 -9.598 -1.798 1.00 0.00 C ATOM 272 C LYS C 19 3.731 -8.529 -1.406 1.00 0.00 C ATOM 273 O LYS C 19 4.853 -8.492 -1.904 1.00 0.00 O ATOM 274 CB LYS C 19 1.784 -9.066 -2.887 1.00 0.00 C ATOM 275 CG LYS C 19 2.477 -8.602 -4.157 1.00 0.00 C ATOM 276 CD LYS C 19 3.266 -9.725 -4.800 1.00 0.00 C ATOM 277 CE LYS C 19 3.812 -9.314 -6.157 1.00 0.00 C ATOM 278 NZ LYS C 19 2.722 -9.037 -7.132 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.070 -9.474 -0.531 1.00 0.00 H new ATOM 0 HA LYS C 19 3.266 -10.462 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.070 -9.848 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS C 19 1.211 -8.234 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS C 19 1.735 -8.227 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS C 19 3.145 -7.772 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS C 19 4.090 -10.013 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS C 19 2.628 -10.601 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS C 19 4.433 -8.425 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.454 -10.105 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 3.103 -9.077 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 1.972 -9.749 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 2.329 -8.091 -6.954 1.00 0.00 H new ATOM 292 N LEU C 20 3.309 -7.663 -0.502 1.00 0.00 N ATOM 293 CA LEU C 20 4.131 -6.556 -0.052 1.00 0.00 C ATOM 294 C LEU C 20 5.104 -6.999 1.021 1.00 0.00 C ATOM 295 O LEU C 20 6.163 -6.400 1.200 1.00 0.00 O ATOM 296 CB LEU C 20 3.242 -5.434 0.463 1.00 0.00 C ATOM 297 CG LEU C 20 2.294 -4.851 -0.584 1.00 0.00 C ATOM 298 CD1 LEU C 20 1.756 -3.504 -0.137 1.00 0.00 C ATOM 299 CD2 LEU C 20 2.985 -4.748 -1.937 1.00 0.00 C ATOM 0 H LEU C 20 2.390 -7.708 -0.061 1.00 0.00 H new ATOM 0 HA LEU C 20 4.715 -6.191 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.653 -5.808 1.301 1.00 0.00 H new ATOM 0 HB3 LEU C 20 3.874 -4.634 0.849 1.00 0.00 H new ATOM 0 HG LEU C 20 1.446 -5.527 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.084 -3.110 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.212 -3.622 0.800 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.585 -2.811 0.009 1.00 0.00 H new ATOM 0 HD21 LEU C 20 2.293 -4.331 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU C 20 3.857 -4.100 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU C 20 3.300 -5.740 -2.261 1.00 0.00 H new ATOM 311 N ASN C 21 4.743 -8.048 1.736 1.00 0.00 N ATOM 312 CA ASN C 21 5.669 -8.692 2.648 1.00 0.00 C ATOM 313 C ASN C 21 6.571 -9.628 1.841 1.00 0.00 C ATOM 314 O ASN C 21 6.591 -10.841 2.049 1.00 0.00 O ATOM 315 CB ASN C 21 4.909 -9.452 3.746 1.00 0.00 C ATOM 316 CG ASN C 21 4.472 -8.549 4.894 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.198 -8.386 5.875 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.285 -7.954 4.792 1.00 0.00 N ATOM 0 H ASN C 21 3.816 -8.472 1.703 1.00 0.00 H new ATOM 0 HA ASN C 21 6.284 -7.943 3.147 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.031 -9.929 3.310 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.543 -10.248 4.137 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.955 -7.343 5.539 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.706 -8.109 3.967 1.00 0.00 H new ATOM 325 N LYS C 22 7.316 -9.031 0.913 1.00 0.00 N ATOM 326 CA LYS C 22 8.016 -9.776 -0.134 1.00 0.00 C ATOM 327 C LYS C 22 9.446 -10.159 0.248 1.00 0.00 C ATOM 328 O LYS C 22 9.889 -11.274 -0.036 1.00 0.00 O ATOM 329 CB LYS C 22 7.996 -8.977 -1.454 1.00 0.00 C ATOM 330 CG LYS C 22 7.958 -7.452 -1.297 1.00 0.00 C ATOM 331 CD LYS C 22 9.342 -6.836 -1.131 1.00 0.00 C ATOM 332 CE LYS C 22 9.274 -5.324 -0.909 1.00 0.00 C ATOM 333 NZ LYS C 22 8.341 -4.654 -1.857 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.452 -8.021 0.865 1.00 0.00 H new ATOM 0 HA LYS C 22 7.479 -10.715 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS C 22 8.879 -9.244 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.127 -9.288 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS C 22 7.474 -7.014 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.346 -7.196 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.848 -7.304 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS C 22 9.941 -7.046 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS C 22 8.955 -5.123 0.114 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.271 -4.897 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.329 -3.631 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.658 -4.822 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 7.383 -5.040 -1.733 1.00 0.00 H new ATOM 347 N GLY C 23 10.163 -9.257 0.887 1.00 0.00 N ATOM 348 CA GLY C 23 11.530 -9.534 1.275 1.00 0.00 C ATOM 349 C GLY C 23 12.044 -8.464 2.195 1.00 0.00 C ATOM 350 O GLY C 23 11.806 -8.510 3.400 1.00 0.00 O ATOM 0 H GLY C 23 9.824 -8.331 1.147 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.584 -10.504 1.770 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.161 -9.593 0.388 1.00 0.00 H new ATOM 354 N LYS C 24 12.734 -7.490 1.636 1.00 0.00 N ATOM 355 CA LYS C 24 13.070 -6.308 2.372 1.00 0.00 C ATOM 356 C LYS C 24 11.978 -5.293 2.146 1.00 0.00 C ATOM 357 O LYS C 24 11.444 -5.200 1.049 1.00 0.00 O ATOM 358 CB LYS C 24 14.381 -5.741 1.901 1.00 0.00 C ATOM 359 CG LYS C 24 15.073 -4.924 2.953 1.00 0.00 C ATOM 360 CD LYS C 24 16.219 -4.189 2.342 1.00 0.00 C ATOM 361 CE LYS C 24 17.334 -5.135 1.910 1.00 0.00 C ATOM 362 NZ LYS C 24 18.568 -4.404 1.519 1.00 0.00 N1+ ATOM 0 H LYS C 24 13.069 -7.503 0.673 1.00 0.00 H new ATOM 0 HA LYS C 24 13.164 -6.552 3.430 1.00 0.00 H new ATOM 0 HB2 LYS C 24 15.035 -6.557 1.593 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.208 -5.121 1.021 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.372 -4.219 3.400 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.429 -5.571 3.755 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.869 -3.622 1.479 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.612 -3.468 3.059 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.563 -5.821 2.725 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.991 -5.740 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 19.299 -5.086 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.357 -3.768 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.912 -3.846 2.327 1.00 0.00 H new ATOM 376 N GLY C 25 11.685 -4.511 3.151 1.00 0.00 N ATOM 377 CA GLY C 25 10.520 -3.650 3.091 1.00 0.00 C ATOM 378 C GLY C 25 9.212 -4.408 3.008 1.00 0.00 C ATOM 379 O GLY C 25 9.038 -5.292 2.167 1.00 0.00 O ATOM 0 H GLY C 25 12.225 -4.448 4.014 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.505 -3.011 3.974 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.607 -2.995 2.224 1.00 0.00 H new ATOM 383 N LYS C 26 8.285 -4.093 3.892 1.00 0.00 N ATOM 384 CA LYS C 26 6.984 -4.734 3.841 1.00 0.00 C ATOM 385 C LYS C 26 5.882 -3.841 4.389 1.00 0.00 C ATOM 386 O LYS C 26 6.071 -3.137 5.380 1.00 0.00 O ATOM 387 CB LYS C 26 7.052 -6.063 4.577 1.00 0.00 C ATOM 388 CG LYS C 26 7.654 -5.964 5.963 1.00 0.00 C ATOM 389 CD LYS C 26 8.448 -7.212 6.308 1.00 0.00 C ATOM 390 CE LYS C 26 9.597 -7.438 5.330 1.00 0.00 C ATOM 391 NZ LYS C 26 10.463 -8.576 5.734 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.403 -3.411 4.641 1.00 0.00 H new ATOM 0 HA LYS C 26 6.727 -4.918 2.798 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.046 -6.476 4.657 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.639 -6.766 3.985 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.303 -5.090 6.019 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.861 -5.820 6.697 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.843 -7.124 7.320 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.787 -8.078 6.299 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.193 -7.626 4.335 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.199 -6.532 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 11.249 -8.671 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.843 -8.402 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.904 -9.453 5.739 1.00 0.00 H new ATOM 405 N LEU C 27 4.734 -3.883 3.724 1.00 0.00 N ATOM 406 CA LEU C 27 3.606 -3.033 4.067 1.00 0.00 C ATOM 407 C LEU C 27 2.416 -3.886 4.491 1.00 0.00 C ATOM 408 O LEU C 27 1.979 -4.763 3.743 1.00 0.00 O ATOM 409 CB LEU C 27 3.169 -2.174 2.866 1.00 0.00 C ATOM 410 CG LEU C 27 4.253 -1.343 2.166 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.134 -2.213 1.275 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.612 -0.234 1.343 1.00 0.00 C ATOM 0 H LEU C 27 4.561 -4.506 2.935 1.00 0.00 H new ATOM 0 HA LEU C 27 3.925 -2.384 4.883 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.718 -2.834 2.125 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.387 -1.494 3.204 1.00 0.00 H new ATOM 0 HG LEU C 27 4.886 -0.902 2.936 1.00 0.00 H new ATOM 0 HD11 LEU C 27 5.891 -1.593 0.795 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.622 -2.977 1.880 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.520 -2.692 0.512 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.390 0.350 0.851 1.00 0.00 H new ATOM 0 HD22 LEU C 27 2.956 -0.672 0.591 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.031 0.415 1.998 1.00 0.00 H new ATOM 424 N SER C 28 1.898 -3.644 5.681 1.00 0.00 N ATOM 425 CA SER C 28 0.669 -4.295 6.105 1.00 0.00 C ATOM 426 C SER C 28 -0.505 -3.349 5.868 1.00 0.00 C ATOM 427 O SER C 28 -0.763 -2.462 6.681 1.00 0.00 O ATOM 428 CB SER C 28 0.736 -4.657 7.584 1.00 0.00 C ATOM 429 OG SER C 28 -0.239 -5.632 7.916 1.00 0.00 O ATOM 0 H SER C 28 2.304 -3.007 6.367 1.00 0.00 H new ATOM 0 HA SER C 28 0.537 -5.210 5.528 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.730 -5.035 7.824 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.581 -3.763 8.188 1.00 0.00 H new ATOM 0 HG SER C 28 -0.174 -5.848 8.870 1.00 0.00 H new ATOM 435 N LEU C 29 -1.217 -3.542 4.769 1.00 0.00 N ATOM 436 CA LEU C 29 -2.268 -2.613 4.368 1.00 0.00 C ATOM 437 C LEU C 29 -3.547 -2.859 5.126 1.00 0.00 C ATOM 438 O LEU C 29 -3.960 -4.002 5.321 1.00 0.00 O ATOM 439 CB LEU C 29 -2.547 -2.722 2.869 1.00 0.00 C ATOM 440 CG LEU C 29 -1.329 -2.591 1.955 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.762 -2.662 0.503 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.583 -1.294 2.228 1.00 0.00 C ATOM 0 H LEU C 29 -1.088 -4.332 4.137 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.910 -1.610 4.601 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.021 -3.684 2.676 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.268 -1.951 2.596 1.00 0.00 H new ATOM 0 HG LEU C 29 -0.649 -3.418 2.161 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.889 -2.568 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -2.250 -3.618 0.315 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -2.459 -1.851 0.291 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.280 -1.224 1.565 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -1.247 -0.448 2.050 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.246 -1.279 3.265 1.00 0.00 H new ATOM 454 N SER C 30 -4.161 -1.778 5.573 1.00 0.00 N ATOM 455 CA SER C 30 -5.471 -1.852 6.158 1.00 0.00 C ATOM 456 C SER C 30 -6.297 -0.639 5.740 1.00 0.00 C ATOM 457 O SER C 30 -5.847 0.502 5.860 1.00 0.00 O ATOM 458 CB SER C 30 -5.365 -1.948 7.679 1.00 0.00 C ATOM 459 OG SER C 30 -4.527 -3.031 8.051 1.00 0.00 O ATOM 0 H SER C 30 -3.764 -0.839 5.538 1.00 0.00 H new ATOM 0 HA SER C 30 -5.975 -2.749 5.798 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.966 -1.017 8.081 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.357 -2.083 8.111 1.00 0.00 H new ATOM 0 HG SER C 30 -4.468 -3.078 9.028 1.00 0.00 H new ATOM 465 N MET C 31 -7.495 -0.893 5.237 1.00 0.00 N ATOM 466 CA MET C 31 -8.354 0.167 4.730 1.00 0.00 C ATOM 467 C MET C 31 -9.639 0.218 5.536 1.00 0.00 C ATOM 468 O MET C 31 -10.429 -0.726 5.518 1.00 0.00 O ATOM 469 CB MET C 31 -8.663 -0.079 3.251 1.00 0.00 C ATOM 470 CG MET C 31 -7.412 -0.268 2.412 1.00 0.00 C ATOM 471 SD MET C 31 -7.755 -0.702 0.699 1.00 0.00 S ATOM 472 CE MET C 31 -6.087 -0.999 0.115 1.00 0.00 C ATOM 0 H MET C 31 -7.896 -1.828 5.169 1.00 0.00 H new ATOM 0 HA MET C 31 -7.841 1.124 4.827 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.294 -0.963 3.159 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.234 0.763 2.859 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.826 0.651 2.435 1.00 0.00 H new ATOM 0 HG3 MET C 31 -6.798 -1.049 2.860 1.00 0.00 H new ATOM 0 HE1 MET C 31 -6.112 -1.706 -0.715 1.00 0.00 H new ATOM 0 HE2 MET C 31 -5.647 -0.060 -0.221 1.00 0.00 H new ATOM 0 HE3 MET C 31 -5.486 -1.412 0.925 1.00 0.00 H new ATOM 482 N ASN C 32 -9.844 1.310 6.254 1.00 0.00 N ATOM 483 CA ASN C 32 -10.985 1.414 7.150 1.00 0.00 C ATOM 484 C ASN C 32 -11.706 2.743 6.972 1.00 0.00 C ATOM 485 O ASN C 32 -11.378 3.728 7.635 1.00 0.00 O ATOM 486 CB ASN C 32 -10.532 1.257 8.606 1.00 0.00 C ATOM 487 CG ASN C 32 -10.022 -0.140 8.923 1.00 0.00 C ATOM 488 OD1 ASN C 32 -8.833 -0.434 8.767 1.00 0.00 O ATOM 489 ND2 ASN C 32 -10.915 -1.007 9.374 1.00 0.00 N ATOM 0 H ASN C 32 -9.240 2.132 6.235 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.680 0.612 6.901 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.745 1.981 8.816 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -11.366 1.492 9.267 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -10.630 -1.958 9.607 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -11.888 -0.724 9.489 1.00 0.00 H new ATOM 496 N GLY C 33 -12.690 2.755 6.079 1.00 0.00 N ATOM 497 CA GLY C 33 -13.520 3.931 5.875 1.00 0.00 C ATOM 498 C GLY C 33 -12.726 5.169 5.488 1.00 0.00 C ATOM 499 O GLY C 33 -12.272 5.288 4.354 1.00 0.00 O ATOM 0 H GLY C 33 -12.930 1.961 5.485 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.252 3.719 5.096 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.077 4.137 6.789 1.00 0.00 H new ATOM 503 N ASN C 34 -12.542 6.085 6.434 1.00 0.00 N ATOM 504 CA ASN C 34 -11.844 7.337 6.168 1.00 0.00 C ATOM 505 C ASN C 34 -10.401 7.229 6.652 1.00 0.00 C ATOM 506 O ASN C 34 -9.816 8.188 7.149 1.00 0.00 O ATOM 507 CB ASN C 34 -12.563 8.513 6.846 1.00 0.00 C ATOM 508 CG ASN C 34 -12.222 9.872 6.233 1.00 0.00 C ATOM 509 OD1 ASN C 34 -13.065 10.768 6.185 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.990 10.048 5.775 1.00 0.00 N ATOM 0 H ASN C 34 -12.868 5.982 7.395 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.843 7.524 5.094 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.640 8.355 6.783 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.304 8.525 7.905 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.720 10.944 5.370 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.313 9.287 5.828 1.00 0.00 H new ATOM 517 N GLN C 35 -9.834 6.048 6.540 1.00 0.00 N ATOM 518 CA GLN C 35 -8.480 5.837 6.997 1.00 0.00 C ATOM 519 C GLN C 35 -7.744 4.790 6.181 1.00 0.00 C ATOM 520 O GLN C 35 -8.264 3.707 5.904 1.00 0.00 O ATOM 521 CB GLN C 35 -8.461 5.423 8.462 1.00 0.00 C ATOM 522 CG GLN C 35 -7.069 5.079 8.953 1.00 0.00 C ATOM 523 CD GLN C 35 -7.072 4.516 10.360 1.00 0.00 C ATOM 524 OE1 GLN C 35 -7.184 3.306 10.550 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.954 5.382 11.352 1.00 0.00 N ATOM 0 H GLN C 35 -10.286 5.226 6.140 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.966 6.790 6.871 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.867 6.232 9.069 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.114 4.562 8.601 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.617 4.354 8.276 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.446 5.973 8.924 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.863 6.378 11.151 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.954 5.054 12.318 1.00 0.00 H new ATOM 534 N LEU C 36 -6.528 5.141 5.811 1.00 0.00 N ATOM 535 CA LEU C 36 -5.563 4.194 5.293 1.00 0.00 C ATOM 536 C LEU C 36 -4.449 4.099 6.325 1.00 0.00 C ATOM 537 O LEU C 36 -3.884 5.118 6.713 1.00 0.00 O ATOM 538 CB LEU C 36 -5.008 4.683 3.945 1.00 0.00 C ATOM 539 CG LEU C 36 -4.406 3.617 3.008 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.245 2.876 3.654 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.477 2.639 2.562 1.00 0.00 C ATOM 0 H LEU C 36 -6.180 6.099 5.862 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.020 3.219 5.122 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.813 5.188 3.411 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.240 5.430 4.146 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.012 4.137 2.135 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.853 2.135 2.957 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.458 3.585 3.910 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.591 2.376 4.558 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -5.036 1.893 1.901 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.904 2.144 3.434 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.262 3.177 2.030 1.00 0.00 H new ATOM 553 N LYS C 37 -4.180 2.903 6.810 1.00 0.00 N ATOM 554 CA LYS C 37 -3.086 2.697 7.742 1.00 0.00 C ATOM 555 C LYS C 37 -2.333 1.432 7.352 1.00 0.00 C ATOM 556 O LYS C 37 -2.936 0.438 6.937 1.00 0.00 O ATOM 557 CB LYS C 37 -3.586 2.597 9.191 1.00 0.00 C ATOM 558 CG LYS C 37 -4.514 1.424 9.469 1.00 0.00 C ATOM 559 CD LYS C 37 -4.759 1.267 10.964 1.00 0.00 C ATOM 560 CE LYS C 37 -5.761 0.165 11.272 1.00 0.00 C ATOM 561 NZ LYS C 37 -7.136 0.521 10.835 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.703 2.059 6.575 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.419 3.557 7.690 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.723 2.524 9.853 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.106 3.521 9.445 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.463 1.576 8.955 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.079 0.508 9.070 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.815 1.047 11.463 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.123 2.210 11.371 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.451 -0.755 10.777 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.762 -0.034 12.344 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -7.806 0.327 11.606 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -7.172 1.531 10.591 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -7.393 -0.046 10.002 1.00 0.00 H new ATOM 575 N ALA C 38 -1.026 1.485 7.459 1.00 0.00 N ATOM 576 CA ALA C 38 -0.172 0.380 7.077 1.00 0.00 C ATOM 577 C ALA C 38 1.086 0.398 7.911 1.00 0.00 C ATOM 578 O ALA C 38 1.721 1.441 8.072 1.00 0.00 O ATOM 579 CB ALA C 38 0.173 0.464 5.596 1.00 0.00 C ATOM 0 H ALA C 38 -0.521 2.297 7.814 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.702 -0.556 7.253 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.815 -0.373 5.324 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.743 0.425 5.006 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.694 1.401 5.396 1.00 0.00 H new ATOM 585 N THR C 39 1.448 -0.745 8.446 1.00 0.00 N ATOM 586 CA THR C 39 2.655 -0.842 9.222 1.00 0.00 C ATOM 587 C THR C 39 3.772 -1.362 8.338 1.00 0.00 C ATOM 588 O THR C 39 3.583 -2.309 7.570 1.00 0.00 O ATOM 589 CB THR C 39 2.481 -1.768 10.438 1.00 0.00 C ATOM 590 OG1 THR C 39 2.149 -3.082 9.989 1.00 0.00 O ATOM 591 CG2 THR C 39 1.394 -1.252 11.367 1.00 0.00 C ATOM 0 H THR C 39 0.924 -1.616 8.357 1.00 0.00 H new ATOM 0 HA THR C 39 2.899 0.152 9.598 1.00 0.00 H new ATOM 0 HB THR C 39 3.419 -1.792 10.993 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.507 -3.220 9.087 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.292 -1.926 12.218 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.661 -0.257 11.722 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.448 -1.203 10.828 1.00 0.00 H new ATOM 599 N SER C 40 4.914 -0.725 8.432 1.00 0.00 N ATOM 600 CA SER C 40 6.057 -1.080 7.621 1.00 0.00 C ATOM 601 C SER C 40 7.117 -1.723 8.491 1.00 0.00 C ATOM 602 O SER C 40 7.596 -1.125 9.457 1.00 0.00 O ATOM 603 CB SER C 40 6.600 0.159 6.909 1.00 0.00 C ATOM 604 OG SER C 40 6.713 1.253 7.803 1.00 0.00 O ATOM 0 H SER C 40 5.079 0.053 9.071 1.00 0.00 H new ATOM 0 HA SER C 40 5.756 -1.799 6.859 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.576 -0.064 6.477 1.00 0.00 H new ATOM 0 HB3 SER C 40 5.940 0.426 6.084 1.00 0.00 H new ATOM 0 HG SER C 40 7.093 0.944 8.652 1.00 0.00 H new ATOM 610 N SER C 41 7.451 -2.955 8.173 1.00 0.00 N ATOM 611 CA SER C 41 8.420 -3.691 8.951 1.00 0.00 C ATOM 612 C SER C 41 9.732 -3.803 8.194 1.00 0.00 C ATOM 613 O SER C 41 9.852 -3.283 7.077 1.00 0.00 O ATOM 614 CB SER C 41 7.871 -5.073 9.299 1.00 0.00 C ATOM 615 OG SER C 41 6.588 -4.974 9.894 1.00 0.00 O ATOM 0 H SER C 41 7.065 -3.467 7.380 1.00 0.00 H new ATOM 0 HA SER C 41 8.611 -3.153 9.879 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.812 -5.683 8.397 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.554 -5.579 9.981 1.00 0.00 H new ATOM 0 HG SER C 41 6.256 -5.871 10.107 1.00 0.00 H new ATOM 621 N ASN C 42 10.694 -4.491 8.814 1.00 0.00 N ATOM 622 CA ASN C 42 12.060 -4.611 8.304 1.00 0.00 C ATOM 623 C ASN C 42 12.830 -3.329 8.584 1.00 0.00 C ATOM 624 O ASN C 42 13.748 -2.962 7.849 1.00 0.00 O ATOM 625 CB ASN C 42 12.088 -4.946 6.809 1.00 0.00 C ATOM 626 CG ASN C 42 12.988 -6.125 6.488 1.00 0.00 C ATOM 627 OD1 ASN C 42 13.606 -6.174 5.428 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.048 -7.097 7.385 1.00 0.00 N ATOM 0 H ASN C 42 10.544 -4.985 9.693 1.00 0.00 H new ATOM 0 HA ASN C 42 12.540 -5.440 8.824 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.075 -5.165 6.471 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.428 -4.073 6.252 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.622 -7.921 7.206 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.521 -7.022 8.255 1.00 0.00 H new ATOM 635 N ALA C 43 12.414 -2.649 9.653 1.00 0.00 N ATOM 636 CA ALA C 43 13.090 -1.458 10.166 1.00 0.00 C ATOM 637 C ALA C 43 13.098 -0.308 9.159 1.00 0.00 C ATOM 638 O ALA C 43 14.032 0.496 9.121 1.00 0.00 O ATOM 639 CB ALA C 43 14.499 -1.803 10.611 1.00 0.00 C ATOM 0 H ALA C 43 11.589 -2.913 10.192 1.00 0.00 H new ATOM 0 HA ALA C 43 12.522 -1.109 11.029 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.990 -0.907 10.991 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.458 -2.556 11.398 1.00 0.00 H new ATOM 0 HB3 ALA C 43 15.062 -2.195 9.764 1.00 0.00 H new ATOM 645 N GLY C 44 12.052 -0.232 8.347 1.00 0.00 N ATOM 646 CA GLY C 44 11.904 0.877 7.424 1.00 0.00 C ATOM 647 C GLY C 44 12.584 0.638 6.092 1.00 0.00 C ATOM 648 O GLY C 44 12.259 1.296 5.105 1.00 0.00 O ATOM 0 H GLY C 44 11.301 -0.921 8.311 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.843 1.062 7.255 1.00 0.00 H new ATOM 0 HA3 GLY C 44 12.316 1.778 7.879 1.00 0.00 H new ATOM 652 N TYR C 45 13.526 -0.298 6.066 1.00 0.00 N ATOM 653 CA TYR C 45 14.257 -0.630 4.847 1.00 0.00 C ATOM 654 C TYR C 45 13.306 -1.017 3.734 1.00 0.00 C ATOM 655 O TYR C 45 12.426 -1.836 3.937 1.00 0.00 O ATOM 656 CB TYR C 45 15.222 -1.774 5.104 1.00 0.00 C ATOM 657 CG TYR C 45 16.429 -1.370 5.927 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.571 -0.870 5.313 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.430 -1.484 7.312 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.676 -0.499 6.055 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.529 -1.115 8.058 1.00 0.00 C ATOM 662 CZ TYR C 45 18.651 -0.624 7.426 1.00 0.00 C ATOM 663 OH TYR C 45 19.752 -0.258 8.169 1.00 0.00 O ATOM 0 H TYR C 45 13.803 -0.844 6.881 1.00 0.00 H new ATOM 0 HA TYR C 45 14.816 0.255 4.542 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.693 -2.577 5.618 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.561 -2.175 4.149 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.595 -0.770 4.238 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.554 -1.869 7.813 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.556 -0.113 5.562 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.511 -1.210 9.134 1.00 0.00 H new ATOM 0 HH TYR C 45 19.569 -0.408 9.120 1.00 0.00 H new ATOM 673 N GLY C 46 13.493 -0.421 2.568 1.00 0.00 N ATOM 674 CA GLY C 46 12.557 -0.628 1.476 1.00 0.00 C ATOM 675 C GLY C 46 13.088 -1.410 0.272 1.00 0.00 C ATOM 676 O GLY C 46 12.426 -2.331 -0.202 1.00 0.00 O ATOM 0 H GLY C 46 14.273 0.201 2.355 1.00 0.00 H new ATOM 0 HA2 GLY C 46 11.684 -1.151 1.867 1.00 0.00 H new ATOM 0 HA3 GLY C 46 12.215 0.347 1.128 1.00 0.00 H new ATOM 680 N ILE C 47 14.297 -1.070 -0.191 1.00 0.00 N ATOM 681 CA ILE C 47 14.763 -1.397 -1.550 1.00 0.00 C ATOM 682 C ILE C 47 14.537 -2.839 -1.967 1.00 0.00 C ATOM 683 O ILE C 47 14.114 -3.099 -3.098 1.00 0.00 O ATOM 684 CB ILE C 47 16.270 -1.187 -1.714 1.00 0.00 C ATOM 685 CG1 ILE C 47 16.823 -0.161 -0.725 1.00 0.00 C ATOM 686 CG2 ILE C 47 16.589 -0.786 -3.143 1.00 0.00 C ATOM 687 CD1 ILE C 47 17.321 -0.770 0.570 1.00 0.00 C ATOM 0 H ILE C 47 14.983 -0.559 0.365 1.00 0.00 H new ATOM 0 HA ILE C 47 14.170 -0.722 -2.167 1.00 0.00 H new ATOM 0 HB ILE C 47 16.760 -2.135 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE C 47 17.640 0.383 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE C 47 16.045 0.568 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE C 47 17.664 -0.639 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE C 47 16.262 -1.572 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE C 47 16.071 0.142 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE C 47 17.698 0.018 1.221 1.00 0.00 H new ATOM 0 HD12 ILE C 47 16.502 -1.290 1.066 1.00 0.00 H new ATOM 0 HD13 ILE C 47 18.122 -1.477 0.355 1.00 0.00 H new ATOM 699 N SER C 48 14.878 -3.761 -1.070 1.00 0.00 N ATOM 700 CA SER C 48 14.945 -5.185 -1.387 1.00 0.00 C ATOM 701 C SER C 48 16.202 -5.506 -2.190 1.00 0.00 C ATOM 702 O SER C 48 17.048 -6.276 -1.736 1.00 0.00 O ATOM 703 CB SER C 48 13.703 -5.638 -2.148 1.00 0.00 C ATOM 704 OG SER C 48 12.536 -5.527 -1.359 1.00 0.00 O ATOM 0 H SER C 48 15.116 -3.542 -0.103 1.00 0.00 H new ATOM 0 HA SER C 48 14.987 -5.731 -0.444 1.00 0.00 H new ATOM 0 HB2 SER C 48 13.590 -5.037 -3.051 1.00 0.00 H new ATOM 0 HB3 SER C 48 13.829 -6.673 -2.467 1.00 0.00 H new ATOM 0 HG SER C 48 12.776 -5.581 -0.410 1.00 0.00 H new ATOM 710 N TYR C 49 16.338 -4.901 -3.367 1.00 0.00 N ATOM 711 CA TYR C 49 17.478 -5.177 -4.235 1.00 0.00 C ATOM 712 C TYR C 49 17.641 -4.087 -5.294 1.00 0.00 C ATOM 713 O TYR C 49 18.744 -3.587 -5.515 1.00 0.00 O ATOM 714 CB TYR C 49 17.301 -6.544 -4.913 1.00 0.00 C ATOM 715 CG TYR C 49 18.548 -7.066 -5.629 1.00 0.00 C ATOM 716 CD1 TYR C 49 18.947 -6.558 -6.869 1.00 0.00 C ATOM 717 CD2 TYR C 49 19.327 -8.081 -5.067 1.00 0.00 C ATOM 718 CE1 TYR C 49 20.069 -7.043 -7.514 1.00 0.00 C ATOM 719 CE2 TYR C 49 20.450 -8.562 -5.711 1.00 0.00 C ATOM 720 CZ TYR C 49 20.816 -8.043 -6.932 1.00 0.00 C ATOM 721 OH TYR C 49 21.933 -8.529 -7.577 1.00 0.00 O ATOM 0 H TYR C 49 15.676 -4.220 -3.740 1.00 0.00 H new ATOM 0 HA TYR C 49 18.378 -5.191 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR C 49 16.999 -7.272 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR C 49 16.486 -6.475 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR C 49 18.368 -5.772 -7.331 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.045 -8.497 -4.111 1.00 0.00 H new ATOM 0 HE1 TYR C 49 20.359 -6.639 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.040 -9.344 -5.257 1.00 0.00 H new ATOM 0 HH TYR C 49 22.347 -9.230 -7.031 1.00 0.00 H new ATOM 731 N GLU C 50 16.541 -3.719 -5.939 1.00 0.00 N ATOM 732 CA GLU C 50 16.593 -2.813 -7.085 1.00 0.00 C ATOM 733 C GLU C 50 15.457 -1.808 -7.071 1.00 0.00 C ATOM 734 O GLU C 50 14.709 -1.700 -6.099 1.00 0.00 O ATOM 735 CB GLU C 50 16.559 -3.623 -8.384 1.00 0.00 C ATOM 736 CG GLU C 50 15.403 -4.610 -8.461 1.00 0.00 C ATOM 737 CD GLU C 50 15.340 -5.331 -9.792 1.00 0.00 C ATOM 738 OE1 GLU C 50 14.435 -5.019 -10.598 1.00 0.00 O ATOM 739 OE2 GLU C 50 16.191 -6.207 -10.043 1.00 0.00 O1- ATOM 0 H GLU C 50 15.603 -4.032 -5.691 1.00 0.00 H new ATOM 0 HA GLU C 50 17.525 -2.251 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU C 50 16.495 -2.936 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU C 50 17.497 -4.168 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.501 -5.342 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU C 50 14.465 -4.079 -8.295 1.00 0.00 H new ATOM 746 N ASP C 51 15.360 -1.060 -8.157 1.00 0.00 N ATOM 747 CA ASP C 51 14.361 -0.019 -8.294 1.00 0.00 C ATOM 748 C ASP C 51 13.032 -0.610 -8.727 1.00 0.00 C ATOM 749 O ASP C 51 12.842 -0.957 -9.895 1.00 0.00 O ATOM 750 CB ASP C 51 14.827 1.025 -9.309 1.00 0.00 C ATOM 751 CG ASP C 51 14.186 2.380 -9.093 1.00 0.00 C ATOM 752 OD1 ASP C 51 14.633 3.110 -8.182 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.250 2.730 -9.837 1.00 0.00 O1- ATOM 0 H ASP C 51 15.972 -1.159 -8.967 1.00 0.00 H new ATOM 0 HA ASP C 51 14.227 0.462 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.910 1.127 -9.247 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.596 0.675 -10.315 1.00 0.00 H new ATOM 758 N LYS C 52 12.124 -0.748 -7.777 1.00 0.00 N ATOM 759 CA LYS C 52 10.788 -1.234 -8.073 1.00 0.00 C ATOM 760 C LYS C 52 9.860 -0.062 -8.338 1.00 0.00 C ATOM 761 O LYS C 52 9.954 0.970 -7.672 1.00 0.00 O ATOM 762 CB LYS C 52 10.222 -2.062 -6.919 1.00 0.00 C ATOM 763 CG LYS C 52 10.844 -3.437 -6.732 1.00 0.00 C ATOM 764 CD LYS C 52 12.184 -3.382 -6.031 1.00 0.00 C ATOM 765 CE LYS C 52 12.733 -4.778 -5.797 1.00 0.00 C ATOM 766 NZ LYS C 52 11.792 -5.621 -5.011 1.00 0.00 N1+ ATOM 0 H LYS C 52 12.287 -0.530 -6.794 1.00 0.00 H new ATOM 0 HA LYS C 52 10.857 -1.870 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.346 -1.498 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS C 52 9.150 -2.186 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.163 -4.064 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS C 52 10.967 -3.911 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.889 -2.806 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.079 -2.864 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.932 -5.255 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS C 52 13.685 -4.710 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.307 -6.426 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 11.372 -5.053 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.039 -5.974 -5.635 1.00 0.00 H new ATOM 780 N ASN C 53 8.971 -0.226 -9.304 1.00 0.00 N ATOM 781 CA ASN C 53 8.017 0.816 -9.654 1.00 0.00 C ATOM 782 C ASN C 53 6.689 0.588 -8.948 1.00 0.00 C ATOM 783 O ASN C 53 5.921 -0.307 -9.300 1.00 0.00 O ATOM 784 CB ASN C 53 7.817 0.886 -11.174 1.00 0.00 C ATOM 785 CG ASN C 53 7.757 -0.483 -11.830 1.00 0.00 C ATOM 786 OD1 ASN C 53 6.572 -1.049 -11.915 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 8.775 -1.026 -12.254 1.00 0.00 N flip ATOM 0 H ASN C 53 8.889 -1.075 -9.863 1.00 0.00 H new ATOM 0 HA ASN C 53 8.422 1.772 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.895 1.426 -11.389 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.632 1.459 -11.616 1.00 0.00 H new ATOM 0 HD21 ASN C 53 9.676 -0.556 -12.170 1.00 0.00 H new ATOM 0 HD22 ASN C 53 8.718 -1.947 -12.690 1.00 0.00 H new ATOM 794 N TRP C 54 6.425 1.407 -7.948 1.00 0.00 N ATOM 795 CA TRP C 54 5.258 1.246 -7.115 1.00 0.00 C ATOM 796 C TRP C 54 4.103 2.121 -7.577 1.00 0.00 C ATOM 797 O TRP C 54 4.326 3.115 -8.260 1.00 0.00 O ATOM 798 CB TRP C 54 5.624 1.610 -5.697 1.00 0.00 C ATOM 799 CG TRP C 54 5.411 0.488 -4.769 1.00 0.00 C ATOM 800 CD1 TRP C 54 6.329 -0.379 -4.266 1.00 0.00 C ATOM 801 CD2 TRP C 54 4.163 0.101 -4.267 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.701 -1.298 -3.461 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.357 -1.018 -3.451 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.893 0.612 -4.439 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.296 -1.636 -2.809 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.857 0.008 -3.812 1.00 0.00 C ATOM 807 CH2 TRP C 54 2.056 -1.112 -3.005 1.00 0.00 C ATOM 0 H TRP C 54 7.015 2.200 -7.694 1.00 0.00 H new ATOM 0 HA TRP C 54 4.932 0.208 -7.180 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.669 1.918 -5.660 1.00 0.00 H new ATOM 0 HB3 TRP C 54 5.028 2.464 -5.376 1.00 0.00 H new ATOM 0 HD1 TRP C 54 7.390 -0.350 -4.468 1.00 0.00 H new ATOM 0 HE1 TRP C 54 6.156 -2.059 -2.957 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.729 1.478 -5.063 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 3.447 -2.499 -2.178 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.859 0.400 -3.939 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.206 -1.574 -2.525 1.00 0.00 H new ATOM 818 N GLY C 55 2.869 1.771 -7.197 1.00 0.00 N ATOM 819 CA GLY C 55 1.750 2.587 -7.591 1.00 0.00 C ATOM 820 C GLY C 55 0.562 2.528 -6.652 1.00 0.00 C ATOM 821 O GLY C 55 0.270 1.491 -6.060 1.00 0.00 O ATOM 0 H GLY C 55 2.638 0.952 -6.635 1.00 0.00 H new ATOM 0 HA2 GLY C 55 2.082 3.622 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.426 2.280 -8.585 1.00 0.00 H new ATOM 825 N ILE C 56 -0.118 3.659 -6.518 1.00 0.00 N ATOM 826 CA ILE C 56 -1.357 3.731 -5.760 1.00 0.00 C ATOM 827 C ILE C 56 -2.438 4.432 -6.565 1.00 0.00 C ATOM 828 O ILE C 56 -2.211 5.500 -7.145 1.00 0.00 O ATOM 829 CB ILE C 56 -1.179 4.475 -4.420 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.128 3.773 -3.574 1.00 0.00 C ATOM 831 CG2 ILE C 56 -2.502 4.561 -3.667 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.055 4.377 -2.201 1.00 0.00 C ATOM 0 H ILE C 56 0.172 4.546 -6.929 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.651 2.703 -5.550 1.00 0.00 H new ATOM 0 HB ILE C 56 -0.845 5.491 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.404 2.724 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.825 3.798 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -2.351 5.090 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.231 5.099 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -2.871 3.556 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.820 3.822 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.363 5.418 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -0.886 4.327 -1.653 1.00 0.00 H new ATOM 844 N PHE C 57 -3.610 3.825 -6.599 1.00 0.00 N ATOM 845 CA PHE C 57 -4.764 4.413 -7.249 1.00 0.00 C ATOM 846 C PHE C 57 -5.917 4.446 -6.257 1.00 0.00 C ATOM 847 O PHE C 57 -5.896 3.733 -5.259 1.00 0.00 O ATOM 848 CB PHE C 57 -5.172 3.608 -8.495 1.00 0.00 C ATOM 849 CG PHE C 57 -4.017 3.023 -9.263 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.523 3.657 -10.391 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.426 1.836 -8.854 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.463 3.117 -11.093 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.368 1.296 -9.552 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.885 1.937 -10.671 1.00 0.00 C ATOM 0 H PHE C 57 -3.787 2.913 -6.178 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.512 5.423 -7.573 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.836 2.799 -8.189 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.744 4.255 -9.160 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.970 4.582 -10.725 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.800 1.329 -7.977 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.086 3.618 -11.972 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.918 0.371 -9.222 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.054 1.516 -11.218 1.00 0.00 H new ATOM 864 N VAL C 58 -6.902 5.276 -6.512 1.00 0.00 N ATOM 865 CA VAL C 58 -8.078 5.337 -5.665 1.00 0.00 C ATOM 866 C VAL C 58 -9.305 5.613 -6.519 1.00 0.00 C ATOM 867 O VAL C 58 -9.312 6.541 -7.323 1.00 0.00 O ATOM 868 CB VAL C 58 -7.935 6.404 -4.547 1.00 0.00 C ATOM 869 CG1 VAL C 58 -7.697 7.792 -5.125 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.158 6.401 -3.640 1.00 0.00 C ATOM 0 H VAL C 58 -6.915 5.922 -7.301 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.190 4.373 -5.169 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.061 6.141 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -7.602 8.513 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -6.781 7.788 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.538 8.070 -5.761 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.037 7.156 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.048 6.625 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.266 5.420 -3.178 1.00 0.00 H new ATOM 880 N ASN C 59 -10.318 4.766 -6.381 1.00 0.00 N ATOM 881 CA ASN C 59 -11.551 4.901 -7.156 1.00 0.00 C ATOM 882 C ASN C 59 -11.264 4.871 -8.658 1.00 0.00 C ATOM 883 O ASN C 59 -11.986 5.470 -9.455 1.00 0.00 O ATOM 884 CB ASN C 59 -12.288 6.191 -6.779 1.00 0.00 C ATOM 885 CG ASN C 59 -12.754 6.195 -5.336 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.075 5.148 -4.770 1.00 0.00 O ATOM 887 ND2 ASN C 59 -12.791 7.370 -4.732 1.00 0.00 N ATOM 0 H ASN C 59 -10.312 3.975 -5.738 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.191 4.052 -6.916 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.630 7.044 -6.947 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.149 6.319 -7.435 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.094 7.435 -3.760 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -12.517 8.212 -5.238 1.00 0.00 H new ATOM 894 N GLY C 60 -10.198 4.176 -9.036 1.00 0.00 N ATOM 895 CA GLY C 60 -9.863 4.029 -10.439 1.00 0.00 C ATOM 896 C GLY C 60 -8.968 5.135 -10.970 1.00 0.00 C ATOM 897 O GLY C 60 -8.555 5.093 -12.130 1.00 0.00 O ATOM 0 H GLY C 60 -9.558 3.710 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -9.367 3.070 -10.587 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -10.783 4.006 -11.023 1.00 0.00 H new ATOM 901 N GLU C 61 -8.655 6.122 -10.140 1.00 0.00 N ATOM 902 CA GLU C 61 -7.784 7.210 -10.567 1.00 0.00 C ATOM 903 C GLU C 61 -6.421 7.074 -9.899 1.00 0.00 C ATOM 904 O GLU C 61 -6.313 6.556 -8.790 1.00 0.00 O ATOM 905 CB GLU C 61 -8.401 8.572 -10.229 1.00 0.00 C ATOM 906 CG GLU C 61 -8.228 8.974 -8.776 1.00 0.00 C ATOM 907 CD GLU C 61 -8.936 10.264 -8.432 1.00 0.00 C ATOM 908 OE1 GLU C 61 -10.072 10.208 -7.918 1.00 0.00 O ATOM 909 OE2 GLU C 61 -8.351 11.342 -8.662 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.987 6.192 -9.178 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.664 7.150 -11.649 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -7.949 9.334 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -9.465 8.549 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.607 8.177 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.165 9.080 -8.558 1.00 0.00 H new ATOM 916 N LYS C 62 -5.387 7.535 -10.574 1.00 0.00 N ATOM 917 CA LYS C 62 -4.033 7.427 -10.059 1.00 0.00 C ATOM 918 C LYS C 62 -3.756 8.544 -9.059 1.00 0.00 C ATOM 919 O LYS C 62 -3.929 9.725 -9.367 1.00 0.00 O ATOM 920 CB LYS C 62 -3.043 7.473 -11.220 1.00 0.00 C ATOM 921 CG LYS C 62 -1.591 7.267 -10.819 1.00 0.00 C ATOM 922 CD LYS C 62 -0.730 6.943 -12.031 1.00 0.00 C ATOM 923 CE LYS C 62 0.736 6.788 -11.661 1.00 0.00 C ATOM 924 NZ LYS C 62 1.357 8.083 -11.276 1.00 0.00 N1+ ATOM 0 H LYS C 62 -5.457 7.990 -11.484 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.917 6.477 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.318 6.708 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -3.135 8.436 -11.721 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.214 8.166 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.522 6.457 -10.093 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -1.087 6.023 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.835 7.735 -12.773 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.828 6.083 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS C 62 1.279 6.363 -12.505 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 2.031 8.377 -12.011 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.617 8.807 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.858 7.972 -10.371 1.00 0.00 H new ATOM 938 N VAL C 63 -3.341 8.170 -7.857 1.00 0.00 N ATOM 939 CA VAL C 63 -3.117 9.144 -6.797 1.00 0.00 C ATOM 940 C VAL C 63 -1.634 9.294 -6.454 1.00 0.00 C ATOM 941 O VAL C 63 -1.107 10.408 -6.464 1.00 0.00 O ATOM 942 CB VAL C 63 -3.939 8.808 -5.523 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.957 7.317 -5.258 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.394 9.538 -4.307 1.00 0.00 C ATOM 0 H VAL C 63 -3.153 7.203 -7.592 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.466 10.102 -7.183 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.960 9.143 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.540 7.114 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.407 6.802 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -2.937 6.960 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -3.991 9.282 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.358 9.243 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -3.442 10.614 -4.477 1.00 0.00 H new ATOM 954 N TYR C 64 -0.953 8.189 -6.177 1.00 0.00 N ATOM 955 CA TYR C 64 0.424 8.262 -5.703 1.00 0.00 C ATOM 956 C TYR C 64 1.292 7.194 -6.365 1.00 0.00 C ATOM 957 O TYR C 64 0.789 6.178 -6.841 1.00 0.00 O ATOM 958 CB TYR C 64 0.451 8.111 -4.177 1.00 0.00 C ATOM 959 CG TYR C 64 1.763 8.504 -3.537 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.632 7.543 -3.041 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.128 9.839 -3.425 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.830 7.900 -2.454 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.324 10.204 -2.840 1.00 0.00 C ATOM 964 CZ TYR C 64 4.172 9.232 -2.356 1.00 0.00 C ATOM 965 OH TYR C 64 5.363 9.592 -1.772 1.00 0.00 O ATOM 0 H TYR C 64 -1.325 7.244 -6.270 1.00 0.00 H new ATOM 0 HA TYR C 64 0.835 9.234 -5.974 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.346 8.720 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.232 7.074 -3.922 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.367 6.499 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.465 10.604 -3.802 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.496 7.139 -2.074 1.00 0.00 H new ATOM 0 HE2 TYR C 64 3.594 11.247 -2.762 1.00 0.00 H new ATOM 0 HH TYR C 64 5.451 10.568 -1.784 1.00 0.00 H new ATOM 975 N THR C 65 2.589 7.451 -6.422 1.00 0.00 N ATOM 976 CA THR C 65 3.547 6.521 -7.003 1.00 0.00 C ATOM 977 C THR C 65 4.910 6.693 -6.324 1.00 0.00 C ATOM 978 O THR C 65 5.323 7.820 -6.048 1.00 0.00 O ATOM 979 CB THR C 65 3.668 6.765 -8.525 1.00 0.00 C ATOM 980 OG1 THR C 65 2.409 6.490 -9.150 1.00 0.00 O ATOM 981 CG2 THR C 65 4.750 5.906 -9.159 1.00 0.00 C ATOM 0 H THR C 65 3.008 8.310 -6.067 1.00 0.00 H new ATOM 0 HA THR C 65 3.199 5.500 -6.843 1.00 0.00 H new ATOM 0 HB THR C 65 3.948 7.808 -8.674 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.374 5.547 -9.415 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.798 6.112 -10.228 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.712 6.136 -8.702 1.00 0.00 H new ATOM 0 HG23 THR C 65 4.517 4.853 -9.002 1.00 0.00 H new ATOM 989 N PHE C 66 5.604 5.590 -6.046 1.00 0.00 N ATOM 990 CA PHE C 66 6.886 5.661 -5.353 1.00 0.00 C ATOM 991 C PHE C 66 7.760 4.473 -5.727 1.00 0.00 C ATOM 992 O PHE C 66 7.434 3.738 -6.658 1.00 0.00 O ATOM 993 CB PHE C 66 6.686 5.750 -3.829 1.00 0.00 C ATOM 994 CG PHE C 66 5.988 4.576 -3.182 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.723 3.541 -2.623 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.602 4.530 -3.091 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.094 2.485 -1.991 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.967 3.470 -2.465 1.00 0.00 C ATOM 999 CZ PHE C 66 4.715 2.450 -1.912 1.00 0.00 C ATOM 0 H PHE C 66 5.302 4.646 -6.288 1.00 0.00 H new ATOM 0 HA PHE C 66 7.397 6.570 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.663 5.869 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE C 66 6.115 6.652 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.801 3.561 -2.682 1.00 0.00 H new ATOM 0 HD2 PHE C 66 4.013 5.330 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.680 1.687 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.889 3.442 -2.410 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.223 1.625 -1.418 1.00 0.00 H new ATOM 1009 N ASN C 67 8.874 4.302 -5.024 1.00 0.00 N ATOM 1010 CA ASN C 67 9.811 3.223 -5.320 1.00 0.00 C ATOM 1011 C ASN C 67 10.241 2.515 -4.038 1.00 0.00 C ATOM 1012 O ASN C 67 10.157 3.092 -2.956 1.00 0.00 O ATOM 1013 CB ASN C 67 11.045 3.763 -6.056 1.00 0.00 C ATOM 1014 CG ASN C 67 10.728 4.284 -7.452 1.00 0.00 C ATOM 1015 OD1 ASN C 67 9.848 3.773 -8.144 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.438 5.316 -7.873 1.00 0.00 N ATOM 0 H ASN C 67 9.151 4.898 -4.244 1.00 0.00 H new ATOM 0 HA ASN C 67 9.303 2.505 -5.964 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.489 4.566 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.791 2.972 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN C 67 11.264 5.712 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.160 5.716 -7.274 1.00 0.00 H new ATOM 1023 N GLU C 68 10.702 1.278 -4.159 1.00 0.00 N ATOM 1024 CA GLU C 68 11.109 0.481 -2.995 1.00 0.00 C ATOM 1025 C GLU C 68 12.234 1.144 -2.193 1.00 0.00 C ATOM 1026 O GLU C 68 12.168 1.204 -0.968 1.00 0.00 O ATOM 1027 CB GLU C 68 11.556 -0.908 -3.451 1.00 0.00 C ATOM 1028 CG GLU C 68 10.717 -2.057 -2.897 1.00 0.00 C ATOM 1029 CD GLU C 68 9.237 -1.928 -3.162 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.861 -1.807 -4.339 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.446 -2.030 -2.201 1.00 0.00 O1- ATOM 0 H GLU C 68 10.806 0.797 -5.052 1.00 0.00 H new ATOM 0 HA GLU C 68 10.242 0.404 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU C 68 11.527 -0.946 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU C 68 12.594 -1.057 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU C 68 11.072 -2.992 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU C 68 10.877 -2.123 -1.821 1.00 0.00 H new ATOM 1038 N LYS C 69 13.262 1.647 -2.888 1.00 0.00 N ATOM 1039 CA LYS C 69 14.458 2.189 -2.219 1.00 0.00 C ATOM 1040 C LYS C 69 14.105 3.240 -1.188 1.00 0.00 C ATOM 1041 O LYS C 69 14.733 3.304 -0.126 1.00 0.00 O ATOM 1042 CB LYS C 69 15.458 2.791 -3.210 1.00 0.00 C ATOM 1043 CG LYS C 69 14.886 3.031 -4.582 1.00 0.00 C ATOM 1044 CD LYS C 69 15.027 1.785 -5.449 1.00 0.00 C ATOM 1045 CE LYS C 69 16.469 1.556 -5.877 1.00 0.00 C ATOM 1046 NZ LYS C 69 16.950 2.620 -6.799 1.00 0.00 N1+ ATOM 0 H LYS C 69 13.293 1.691 -3.907 1.00 0.00 H new ATOM 0 HA LYS C 69 14.922 1.337 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.827 3.736 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS C 69 16.316 2.124 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.835 3.306 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.399 3.869 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS C 69 14.669 0.916 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS C 69 14.397 1.884 -6.333 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.109 1.524 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS C 69 16.552 0.586 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 17.663 2.224 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.150 2.988 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.373 3.393 -6.247 1.00 0.00 H new ATOM 1060 N SER C 70 13.124 4.072 -1.495 1.00 0.00 N ATOM 1061 CA SER C 70 12.680 5.048 -0.538 1.00 0.00 C ATOM 1062 C SER C 70 11.985 4.318 0.608 1.00 0.00 C ATOM 1063 O SER C 70 11.025 3.586 0.376 1.00 0.00 O ATOM 1064 CB SER C 70 11.760 6.076 -1.199 1.00 0.00 C ATOM 1065 OG SER C 70 10.780 5.455 -2.015 1.00 0.00 O ATOM 0 H SER C 70 12.631 4.086 -2.388 1.00 0.00 H new ATOM 0 HA SER C 70 13.532 5.601 -0.143 1.00 0.00 H new ATOM 0 HB2 SER C 70 11.269 6.672 -0.430 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.355 6.762 -1.803 1.00 0.00 H new ATOM 0 HG SER C 70 10.825 4.483 -1.898 1.00 0.00 H new ATOM 1071 N THR C 71 12.477 4.513 1.832 1.00 0.00 N ATOM 1072 CA THR C 71 12.104 3.678 2.954 1.00 0.00 C ATOM 1073 C THR C 71 10.603 3.640 3.127 1.00 0.00 C ATOM 1074 O THR C 71 9.938 4.676 3.225 1.00 0.00 O ATOM 1075 CB THR C 71 12.761 4.171 4.256 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.451 5.553 4.469 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.271 3.987 4.202 1.00 0.00 C ATOM 0 H THR C 71 13.141 5.252 2.064 1.00 0.00 H new ATOM 0 HA THR C 71 12.461 2.670 2.740 1.00 0.00 H new ATOM 0 HB THR C 71 12.367 3.580 5.083 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.275 6.048 4.659 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.714 4.342 5.132 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.504 2.931 4.069 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.677 4.556 3.366 1.00 0.00 H new ATOM 1085 N VAL C 72 10.090 2.425 3.163 1.00 0.00 N ATOM 1086 CA VAL C 72 8.665 2.176 3.230 1.00 0.00 C ATOM 1087 C VAL C 72 8.049 2.858 4.437 1.00 0.00 C ATOM 1088 O VAL C 72 6.854 3.120 4.474 1.00 0.00 O ATOM 1089 CB VAL C 72 8.352 0.666 3.317 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.309 0.294 2.299 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.596 -0.186 3.128 1.00 0.00 C ATOM 0 H VAL C 72 10.656 1.577 3.146 1.00 0.00 H new ATOM 0 HA VAL C 72 8.238 2.581 2.313 1.00 0.00 H new ATOM 0 HB VAL C 72 7.969 0.468 4.318 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.096 -0.773 2.369 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.397 0.859 2.489 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.677 0.525 1.300 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.329 -1.240 3.197 1.00 0.00 H new ATOM 0 HG22 VAL C 72 10.029 0.015 2.148 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.323 0.055 3.903 1.00 0.00 H new ATOM 1101 N GLY C 73 8.878 3.169 5.410 1.00 0.00 N ATOM 1102 CA GLY C 73 8.371 3.753 6.631 1.00 0.00 C ATOM 1103 C GLY C 73 8.049 5.216 6.462 1.00 0.00 C ATOM 1104 O GLY C 73 7.054 5.703 7.004 1.00 0.00 O ATOM 0 H GLY C 73 9.888 3.030 5.381 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.475 3.218 6.945 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.108 3.633 7.425 1.00 0.00 H new ATOM 1108 N ASN C 74 8.871 5.920 5.696 1.00 0.00 N ATOM 1109 CA ASN C 74 8.594 7.312 5.392 1.00 0.00 C ATOM 1110 C ASN C 74 7.479 7.391 4.365 1.00 0.00 C ATOM 1111 O ASN C 74 6.640 8.285 4.411 1.00 0.00 O ATOM 1112 CB ASN C 74 9.846 8.032 4.877 1.00 0.00 C ATOM 1113 CG ASN C 74 10.828 8.364 5.987 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.736 9.417 6.616 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.788 7.485 6.224 1.00 0.00 N ATOM 0 H ASN C 74 9.726 5.553 5.279 1.00 0.00 H new ATOM 0 HA ASN C 74 8.282 7.812 6.309 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.341 7.406 4.135 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.550 8.952 4.372 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.482 7.671 6.948 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.834 6.622 5.683 1.00 0.00 H new ATOM 1122 N ILE C 75 7.462 6.424 3.458 1.00 0.00 N ATOM 1123 CA ILE C 75 6.461 6.380 2.407 1.00 0.00 C ATOM 1124 C ILE C 75 5.086 6.025 2.962 1.00 0.00 C ATOM 1125 O ILE C 75 4.167 6.844 2.946 1.00 0.00 O ATOM 1126 CB ILE C 75 6.824 5.349 1.319 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.212 5.633 0.738 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.774 5.357 0.220 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.328 6.985 0.075 1.00 0.00 C ATOM 0 H ILE C 75 8.134 5.657 3.431 1.00 0.00 H new ATOM 0 HA ILE C 75 6.435 7.378 1.969 1.00 0.00 H new ATOM 0 HB ILE C 75 6.847 4.360 1.776 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.951 5.565 1.536 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.457 4.859 0.010 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.040 4.625 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.802 5.103 0.643 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.725 6.349 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.339 7.115 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.614 7.050 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.116 7.767 0.804 1.00 0.00 H new ATOM 1141 N SER C 76 4.965 4.800 3.468 1.00 0.00 N ATOM 1142 CA SER C 76 3.676 4.246 3.843 1.00 0.00 C ATOM 1143 C SER C 76 2.969 5.083 4.884 1.00 0.00 C ATOM 1144 O SER C 76 1.825 5.474 4.698 1.00 0.00 O ATOM 1145 CB SER C 76 3.834 2.812 4.346 1.00 0.00 C ATOM 1146 OG SER C 76 4.490 2.008 3.382 1.00 0.00 O ATOM 0 H SER C 76 5.753 4.172 3.627 1.00 0.00 H new ATOM 0 HA SER C 76 3.058 4.250 2.945 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.403 2.809 5.276 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.854 2.391 4.571 1.00 0.00 H new ATOM 0 HG SER C 76 5.454 2.184 3.411 1.00 0.00 H new ATOM 1152 N ASN C 77 3.647 5.377 5.968 1.00 0.00 N ATOM 1153 CA ASN C 77 2.981 6.041 7.080 1.00 0.00 C ATOM 1154 C ASN C 77 2.704 7.517 6.813 1.00 0.00 C ATOM 1155 O ASN C 77 1.855 8.104 7.478 1.00 0.00 O ATOM 1156 CB ASN C 77 3.717 5.827 8.399 1.00 0.00 C ATOM 1157 CG ASN C 77 2.983 4.827 9.282 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.649 4.885 9.272 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.601 4.029 9.981 1.00 0.00 N flip ATOM 0 H ASN C 77 4.637 5.176 6.110 1.00 0.00 H new ATOM 0 HA ASN C 77 2.006 5.563 7.175 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.727 5.469 8.201 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.813 6.778 8.924 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.621 4.016 9.960 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.095 3.379 10.582 1.00 0.00 H new ATOM 1166 N ASP C 78 3.378 8.118 5.834 1.00 0.00 N ATOM 1167 CA ASP C 78 2.960 9.440 5.362 1.00 0.00 C ATOM 1168 C ASP C 78 1.609 9.313 4.696 1.00 0.00 C ATOM 1169 O ASP C 78 0.686 10.070 4.988 1.00 0.00 O ATOM 1170 CB ASP C 78 3.944 10.047 4.370 1.00 0.00 C ATOM 1171 CG ASP C 78 5.061 10.826 5.040 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.740 11.613 4.343 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.255 10.673 6.265 1.00 0.00 O1- ATOM 0 H ASP C 78 4.193 7.726 5.362 1.00 0.00 H new ATOM 0 HA ASP C 78 2.918 10.101 6.227 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.377 9.251 3.764 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.405 10.708 3.691 1.00 0.00 H new ATOM 1178 N ILE C 79 1.513 8.320 3.817 1.00 0.00 N ATOM 1179 CA ILE C 79 0.265 7.963 3.155 1.00 0.00 C ATOM 1180 C ILE C 79 -0.834 7.739 4.180 1.00 0.00 C ATOM 1181 O ILE C 79 -2.006 8.036 3.945 1.00 0.00 O ATOM 1182 CB ILE C 79 0.444 6.671 2.328 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.383 6.918 1.148 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.900 6.126 1.855 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.772 5.652 0.423 1.00 0.00 C ATOM 0 H ILE C 79 2.304 7.738 3.543 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.012 8.785 2.495 1.00 0.00 H new ATOM 0 HB ILE C 79 0.895 5.916 2.972 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.902 7.598 0.445 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.284 7.415 1.507 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.740 5.217 1.276 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.526 5.901 2.719 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.396 6.871 1.232 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.439 5.896 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE C 79 2.281 4.979 1.113 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.877 5.165 0.035 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.441 7.236 5.329 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.401 6.853 6.332 1.00 0.00 C ATOM 1199 C ASN C 80 -1.814 8.035 7.179 1.00 0.00 C ATOM 1200 O ASN C 80 -2.951 8.106 7.629 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.848 5.736 7.215 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.422 4.517 6.421 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -1.004 4.192 5.393 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.613 3.835 6.892 1.00 0.00 N ATOM 0 H ASN C 80 0.534 7.084 5.589 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.286 6.482 5.814 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.005 6.113 7.779 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.606 5.444 7.942 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.949 3.010 6.395 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.073 4.135 7.751 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.901 8.971 7.391 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.239 10.189 8.111 1.00 0.00 C ATOM 1213 C LYS C 81 -2.334 10.939 7.366 1.00 0.00 C ATOM 1214 O LYS C 81 -3.168 11.610 7.967 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.007 11.078 8.298 1.00 0.00 C ATOM 1216 CG LYS C 81 1.027 10.478 9.237 1.00 0.00 C ATOM 1217 CD LYS C 81 2.165 11.446 9.528 1.00 0.00 C ATOM 1218 CE LYS C 81 2.973 11.759 8.283 1.00 0.00 C ATOM 1219 NZ LYS C 81 4.099 12.682 8.570 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.068 8.912 7.079 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.604 9.918 9.102 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.454 11.258 7.327 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.322 12.047 8.686 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.545 10.194 10.172 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.431 9.566 8.796 1.00 0.00 H new ATOM 0 HD2 LYS C 81 1.759 12.370 9.939 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.820 11.019 10.288 1.00 0.00 H new ATOM 0 HE2 LYS C 81 3.362 10.833 7.861 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.322 12.204 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.626 12.870 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 3.727 13.576 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 4.735 12.247 9.269 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.348 10.770 6.050 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.351 11.392 5.197 1.00 0.00 C ATOM 1235 C LEU C 82 -4.751 10.923 5.586 1.00 0.00 C ATOM 1236 O LEU C 82 -5.723 11.653 5.394 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.105 11.021 3.730 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.641 11.005 3.276 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.565 10.709 1.784 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.964 12.335 3.584 1.00 0.00 C ATOM 0 H LEU C 82 -1.668 10.201 5.546 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.276 12.472 5.326 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.531 10.034 3.549 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.652 11.724 3.102 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.117 10.222 3.823 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.522 10.699 1.468 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.015 9.737 1.583 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.104 11.479 1.232 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.074 12.300 3.253 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.485 13.138 3.062 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.996 12.520 4.658 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.825 9.719 6.165 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.100 9.044 6.440 1.00 0.00 C ATOM 1254 C ASN C 83 -7.080 9.255 5.294 1.00 0.00 C ATOM 1255 O ASN C 83 -7.990 10.085 5.369 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.693 9.500 7.775 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.908 8.984 8.974 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.329 7.787 8.865 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -5.821 9.657 10.001 1.00 0.00 N flip ATOM 0 H ASN C 83 -4.005 9.186 6.456 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.905 7.975 6.521 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.718 10.589 7.804 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.725 9.156 7.846 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -6.275 10.569 10.053 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -5.295 9.303 10.800 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.864 8.493 4.232 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.589 8.661 2.979 1.00 0.00 C ATOM 1268 C ILE C 84 -9.088 8.527 3.169 1.00 0.00 C ATOM 1269 O ILE C 84 -9.556 7.730 3.970 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.146 7.623 1.934 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.631 7.493 1.942 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.634 8.014 0.543 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.113 6.549 0.879 1.00 0.00 C ATOM 0 H ILE C 84 -6.179 7.738 4.214 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.357 9.667 2.629 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.588 6.661 2.193 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.187 8.477 1.794 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.307 7.141 2.922 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.309 7.266 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.722 8.071 0.542 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.219 8.985 0.272 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.026 6.499 0.936 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.531 5.555 1.040 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.409 6.912 -0.105 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.825 9.299 2.397 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.277 9.269 2.428 1.00 0.00 C ATOM 1287 C LYS C 85 -11.786 8.288 1.377 1.00 0.00 C ATOM 1288 O LYS C 85 -12.944 8.339 0.955 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.815 10.675 2.162 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.431 11.209 0.780 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.968 12.656 0.838 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.651 12.796 1.593 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.124 14.183 1.527 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.437 9.966 1.730 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.625 8.940 3.407 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.901 10.666 2.253 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.436 11.354 2.926 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.638 10.591 0.360 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.287 11.129 0.109 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -10.850 13.041 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -11.732 13.264 1.323 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.797 12.512 2.635 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.917 12.108 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.228 14.239 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -8.961 14.446 0.534 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.814 14.837 1.949 1.00 0.00 H new ATOM 1307 N GLY C 86 -10.897 7.394 0.969 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.202 6.449 -0.076 1.00 0.00 C ATOM 1309 C GLY C 86 -11.887 5.215 0.461 1.00 0.00 C ATOM 1310 O GLY C 86 -11.533 4.732 1.534 1.00 0.00 O ATOM 0 H GLY C 86 -9.956 7.309 1.353 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.842 6.924 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.282 6.161 -0.584 1.00 0.00 H new ATOM 1314 N PRO C 87 -12.875 4.676 -0.262 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.539 3.437 0.131 1.00 0.00 C ATOM 1316 C PRO C 87 -12.701 2.227 -0.253 1.00 0.00 C ATOM 1317 O PRO C 87 -12.510 1.311 0.546 1.00 0.00 O ATOM 1318 CB PRO C 87 -14.829 3.476 -0.682 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.438 4.191 -1.926 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.452 5.245 -1.495 1.00 0.00 C ATOM 0 HA PRO C 87 -13.702 3.357 1.206 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.199 2.473 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.622 4.001 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -13.990 3.507 -2.647 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.306 4.640 -2.409 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.690 5.419 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.940 6.202 -1.308 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.182 2.241 -1.472 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.267 1.218 -1.906 1.00 0.00 C ATOM 1330 C TYR C 88 -10.051 1.869 -2.537 1.00 0.00 C ATOM 1331 O TYR C 88 -10.165 2.687 -3.454 1.00 0.00 O ATOM 1332 CB TYR C 88 -11.930 0.223 -2.873 1.00 0.00 C ATOM 1333 CG TYR C 88 -12.248 0.764 -4.249 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -11.408 0.506 -5.327 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -13.389 1.517 -4.476 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -11.700 0.984 -6.588 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -13.686 1.997 -5.732 1.00 0.00 C ATOM 1338 CZ TYR C 88 -12.840 1.729 -6.784 1.00 0.00 C ATOM 1339 OH TYR C 88 -13.142 2.201 -8.040 1.00 0.00 O ATOM 0 H TYR C 88 -12.385 2.954 -2.172 1.00 0.00 H new ATOM 0 HA TYR C 88 -10.956 0.641 -1.035 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.274 -0.640 -2.984 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.855 -0.135 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -10.512 -0.078 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -14.056 1.731 -3.654 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -11.038 0.775 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -14.580 2.582 -5.891 1.00 0.00 H new ATOM 0 HH TYR C 88 -13.790 2.933 -7.967 1.00 0.00 H new ATOM 1349 N ILE C 89 -8.890 1.546 -2.007 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.653 2.105 -2.506 1.00 0.00 C ATOM 1351 C ILE C 89 -6.834 0.998 -3.152 1.00 0.00 C ATOM 1352 O ILE C 89 -6.757 -0.109 -2.630 1.00 0.00 O ATOM 1353 CB ILE C 89 -6.823 2.789 -1.385 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -7.639 3.870 -0.661 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -5.559 3.410 -1.959 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.589 3.336 0.392 1.00 0.00 C ATOM 0 H ILE C 89 -8.778 0.897 -1.228 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.901 2.874 -3.238 1.00 0.00 H new ATOM 0 HB ILE C 89 -6.554 2.017 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -6.952 4.573 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -8.212 4.431 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -4.991 3.884 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -4.951 2.634 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -5.827 4.157 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -9.125 4.166 0.853 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -9.303 2.657 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -8.023 2.801 1.155 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.251 1.284 -4.295 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.457 0.301 -5.000 1.00 0.00 C ATOM 1370 C GLU C 90 -3.981 0.536 -4.730 1.00 0.00 C ATOM 1371 O GLU C 90 -3.353 1.393 -5.349 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.744 0.376 -6.492 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.207 0.139 -6.834 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.488 0.233 -8.319 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.954 1.297 -8.777 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.254 -0.763 -9.035 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.312 2.191 -4.757 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.721 -0.695 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.445 1.356 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.132 -0.362 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.504 -0.846 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.821 0.869 -6.306 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.438 -0.228 -3.803 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.048 -0.086 -3.414 1.00 0.00 C ATOM 1385 C ILE C 91 -1.263 -1.335 -3.810 1.00 0.00 C ATOM 1386 O ILE C 91 -1.346 -2.367 -3.145 1.00 0.00 O ATOM 1387 CB ILE C 91 -1.927 0.189 -1.890 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -2.582 1.528 -1.540 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -0.480 0.173 -1.426 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.236 2.047 -0.159 1.00 0.00 C ATOM 0 H ILE C 91 -3.942 -0.959 -3.301 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.623 0.769 -3.939 1.00 0.00 H new ATOM 0 HB ILE C 91 -2.448 -0.613 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.283 2.270 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.664 1.421 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -0.439 0.369 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -0.042 -0.804 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE C 91 0.081 0.942 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.740 2.999 0.009 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.560 1.327 0.592 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.158 2.189 -0.083 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.521 -1.236 -4.914 1.00 0.00 N ATOM 1403 CA LYS C 92 0.282 -2.346 -5.419 1.00 0.00 C ATOM 1404 C LYS C 92 1.225 -1.830 -6.499 1.00 0.00 C ATOM 1405 O LYS C 92 0.896 -0.885 -7.213 1.00 0.00 O ATOM 1406 CB LYS C 92 -0.604 -3.460 -5.995 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.213 -3.146 -7.358 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.332 -2.118 -7.274 1.00 0.00 C ATOM 1409 CE LYS C 92 -3.259 -2.215 -8.473 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.943 -3.535 -8.540 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.461 -0.389 -5.479 1.00 0.00 H new ATOM 0 HA LYS C 92 0.853 -2.765 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.012 -4.371 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.410 -3.666 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -0.433 -2.776 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -1.600 -4.064 -7.800 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.902 -2.271 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -1.906 -1.116 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -4.005 -1.422 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -2.688 -2.055 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -4.969 -3.390 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.593 -4.066 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -3.746 -4.073 -7.672 1.00 0.00 H new ATOM 1424 N GLN C 93 2.397 -2.430 -6.612 1.00 0.00 N ATOM 1425 CA GLN C 93 3.354 -1.984 -7.608 1.00 0.00 C ATOM 1426 C GLN C 93 2.953 -2.431 -9.001 1.00 0.00 C ATOM 1427 O GLN C 93 2.212 -3.400 -9.175 1.00 0.00 O ATOM 1428 CB GLN C 93 4.781 -2.402 -7.265 1.00 0.00 C ATOM 1429 CG GLN C 93 4.911 -3.755 -6.585 1.00 0.00 C ATOM 1430 CD GLN C 93 6.169 -3.844 -5.743 1.00 0.00 C ATOM 1431 OE1 GLN C 93 7.194 -3.107 -6.135 1.00 0.00 O flip ATOM 1432 NE2 GLN C 93 6.218 -4.568 -4.746 1.00 0.00 N flip ATOM 0 H GLN C 93 2.705 -3.214 -6.037 1.00 0.00 H new ATOM 0 HA GLN C 93 3.340 -0.894 -7.599 1.00 0.00 H new ATOM 0 HB2 GLN C 93 5.369 -2.416 -8.182 1.00 0.00 H new ATOM 0 HB3 GLN C 93 5.219 -1.643 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN C 93 4.039 -3.930 -5.955 1.00 0.00 H new ATOM 0 HG3 GLN C 93 4.922 -4.541 -7.340 1.00 0.00 H new ATOM 0 HE21 GLN C 93 5.404 -5.121 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.072 -4.613 -4.190 1.00 0.00 H new ATOM 1441 N ILE C 94 3.464 -1.714 -9.979 1.00 0.00 N ATOM 1442 CA ILE C 94 2.937 -1.754 -11.329 1.00 0.00 C ATOM 1443 C ILE C 94 3.913 -2.404 -12.302 1.00 0.00 C ATOM 1444 O ILE C 94 4.288 -1.758 -13.302 1.00 0.00 O ATOM 1445 CB ILE C 94 2.605 -0.314 -11.778 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.726 0.639 -11.329 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.268 0.117 -11.200 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.366 2.106 -11.377 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.324 -3.554 -12.042 1.00 0.00 O ATOM 0 H ILE C 94 4.258 -1.085 -9.861 1.00 0.00 H new ATOM 0 HA ILE C 94 2.034 -2.364 -11.331 1.00 0.00 H new ATOM 0 HB ILE C 94 2.533 -0.281 -12.865 1.00 0.00 H new ATOM 0 HG12 ILE C 94 4.015 0.383 -10.310 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.600 0.473 -11.959 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.043 1.134 -11.522 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.486 -0.556 -11.551 1.00 0.00 H new ATOM 0 HG23 ILE C 94 1.314 0.083 -10.112 1.00 0.00 H new ATOM 0 HD11 ILE C 94 4.217 2.700 -11.043 1.00 0.00 H new ATOM 0 HD12 ILE C 94 3.108 2.384 -12.399 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.514 2.293 -10.724 1.00 0.00 H new TER 1461 ILE C 94