USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=34 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 35 GLN : amide:sc= -0.286 K(o=-3.4,f=-5.2) USER MOD Set 1.2: C 83 ASN :FLIP amide:sc= -3.1! C(o=-4.3!,f=-3.4!) USER MOD Set 2.1: C 77 ASN :FLIP amide:sc= -0.329 F(o=-18!,f=-9.8) USER MOD Set 2.2: C 80 ASN : amide:sc= -9.52! C(o=-9.8!,f=-11!) USER MOD Set 3.1: C 30 SER OG : rot -7:sc= 0.297 USER MOD Set 3.2: C 37 LYS NZ :NH3+ -143:sc= -0.221 (180deg=-0.862) USER MOD Set 4.1: C 26 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.04) USER MOD Set 4.2: C 42 ASN : amide:sc= -3.77! C(o=-2.5!,f=-6.4!) USER MOD Set 5.1: C 21 ASN : amide:sc= -0.625 K(o=-0.63,f=-2.6!) USER MOD Set 5.2: C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 1 ASP N :NH3+ -130:sc= 0.153 (180deg=0) USER MOD Single : C 2 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : C 3 GLN :FLIP amide:sc= -1.94! C(o=-3.4!,f=-1.9!) USER MOD Single : C 4 LYS NZ :NH3+ 172:sc= 0.505 (180deg=0.455) USER MOD Single : C 9 GLN : amide:sc= 0.537 K(o=0.54,f=-1.9) USER MOD Single : C 10 MET CE :methyl 157:sc= -0.197 (180deg=-0.886) USER MOD Single : C 11 ASN : amide:sc= 0.104 K(o=0.1,f=-3.9!) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : C 15 SER OG : rot -85:sc= 0.826 USER MOD Single : C 17 ASN : amide:sc= -3.84! C(o=-3.8!,f=-6.8!) USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ 138:sc= 0.18 (180deg=-3.08!) USER MOD Single : C 24 LYS NZ :NH3+ 156:sc= -0.125 (180deg=-0.466) USER MOD Single : C 31 MET CE :methyl 160:sc= -0.179 (180deg=-0.732) USER MOD Single : C 32 ASN : amide:sc= -0.457 K(o=-0.46,f=-3.8!) USER MOD Single : C 34 ASN : amide:sc= 0.0817 X(o=0.082,f=-0.38) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.945 USER MOD Single : C 40 SER OG : rot 29:sc= -2.37! USER MOD Single : C 41 SER OG : rot 180:sc=-0.00964 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot -134:sc= 1.19 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -124:sc= 1.23 (180deg=-0.399) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.378 F(o=-3.2!,f=-0.38) USER MOD Single : C 59 ASN : amide:sc= -1.2 K(o=-1.2,f=-10!) USER MOD Single : C 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 180:sc= -0.959 USER MOD Single : C 67 ASN : amide:sc= -0.0066 K(o=-0.0066,f=-1.1) USER MOD Single : C 69 LYS NZ :NH3+ 169:sc= -0.0104 (180deg=-0.16) USER MOD Single : C 70 SER OG : rot 92:sc= 0.39 USER MOD Single : C 71 THR OG1 : rot 180:sc= -1.16 USER MOD Single : C 74 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : C 76 SER OG : rot 60:sc= -2.02! USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 88 TYR OH : rot 180:sc= -0.236 USER MOD Single : C 92 LYS NZ :NH3+ -128:sc= 0.178 (180deg=-0.293) USER MOD Single : C 93 GLN :FLIP amide:sc= -0.199 F(o=-2!,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -19.141 2.982 -6.102 1.00 0.00 N ATOM 2 CA ASP C 1 -19.117 3.298 -4.654 1.00 0.00 C ATOM 3 C ASP C 1 -19.735 2.140 -3.872 1.00 0.00 C ATOM 4 O ASP C 1 -20.008 1.087 -4.448 1.00 0.00 O ATOM 5 CB ASP C 1 -19.885 4.603 -4.394 1.00 0.00 C ATOM 6 CG ASP C 1 -19.646 5.174 -3.008 1.00 0.00 C ATOM 7 OD1 ASP C 1 -20.535 5.037 -2.141 1.00 0.00 O ATOM 8 OD2 ASP C 1 -18.571 5.763 -2.777 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -18.197 3.140 -6.508 1.00 0.00 H new ATOM 0 H2 ASP C 1 -19.413 1.987 -6.236 1.00 0.00 H new ATOM 0 H3 ASP C 1 -19.830 3.597 -6.580 1.00 0.00 H new ATOM 0 HA ASP C 1 -18.087 3.434 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -19.593 5.343 -5.139 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -20.952 4.421 -4.526 1.00 0.00 H new ATOM 13 N ASN C 2 -19.912 2.326 -2.562 1.00 0.00 N ATOM 14 CA ASN C 2 -20.587 1.359 -1.686 1.00 0.00 C ATOM 15 C ASN C 2 -19.707 0.162 -1.344 1.00 0.00 C ATOM 16 O ASN C 2 -20.011 -0.574 -0.408 1.00 0.00 O ATOM 17 CB ASN C 2 -21.920 0.877 -2.278 1.00 0.00 C ATOM 18 CG ASN C 2 -23.049 1.885 -2.129 1.00 0.00 C ATOM 19 OD1 ASN C 2 -22.728 3.168 -2.157 1.00 0.00 O flip ATOM 20 ND2 ASN C 2 -24.213 1.508 -1.992 1.00 0.00 N flip ATOM 0 H ASN C 2 -19.588 3.160 -2.072 1.00 0.00 H new ATOM 0 HA ASN C 2 -20.793 1.897 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -21.779 0.654 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -22.209 -0.055 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -24.427 0.511 -1.974 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -24.963 2.193 -1.896 1.00 0.00 H new ATOM 27 N GLN C 3 -18.601 -0.021 -2.064 1.00 0.00 N ATOM 28 CA GLN C 3 -17.710 -1.149 -1.793 1.00 0.00 C ATOM 29 C GLN C 3 -16.925 -0.951 -0.506 1.00 0.00 C ATOM 30 O GLN C 3 -16.098 -1.785 -0.149 1.00 0.00 O ATOM 31 CB GLN C 3 -16.746 -1.412 -2.951 1.00 0.00 C ATOM 32 CG GLN C 3 -17.237 -2.489 -3.904 1.00 0.00 C ATOM 33 CD GLN C 3 -16.585 -2.425 -5.276 1.00 0.00 C ATOM 34 OE1 GLN C 3 -15.368 -1.911 -5.341 1.00 0.00 O flip ATOM 35 NE2 GLN C 3 -17.177 -2.835 -6.271 1.00 0.00 N flip ATOM 0 H GLN C 3 -18.303 0.586 -2.828 1.00 0.00 H new ATOM 0 HA GLN C 3 -18.353 -2.022 -1.678 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -16.594 -0.486 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -15.776 -1.706 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -17.045 -3.468 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -18.317 -2.397 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -18.115 -3.225 -6.182 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -16.730 -2.785 -7.187 1.00 0.00 H new ATOM 44 N LYS C 4 -17.195 0.145 0.192 1.00 0.00 N ATOM 45 CA LYS C 4 -16.571 0.406 1.480 1.00 0.00 C ATOM 46 C LYS C 4 -16.977 -0.679 2.475 1.00 0.00 C ATOM 47 O LYS C 4 -16.173 -1.123 3.297 1.00 0.00 O ATOM 48 CB LYS C 4 -16.999 1.779 1.997 1.00 0.00 C ATOM 49 CG LYS C 4 -16.115 2.328 3.106 1.00 0.00 C ATOM 50 CD LYS C 4 -16.740 3.547 3.772 1.00 0.00 C ATOM 51 CE LYS C 4 -17.140 4.615 2.762 1.00 0.00 C ATOM 52 NZ LYS C 4 -15.969 5.205 2.061 1.00 0.00 N1+ ATOM 0 H LYS C 4 -17.845 0.869 -0.115 1.00 0.00 H new ATOM 0 HA LYS C 4 -15.487 0.397 1.364 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -17.001 2.484 1.166 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -18.024 1.715 2.362 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -15.944 1.553 3.853 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -15.141 2.596 2.696 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -17.619 3.238 4.339 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -16.033 3.971 4.485 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -17.817 4.180 2.027 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -17.689 5.406 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -16.300 5.824 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -15.404 5.760 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -15.383 4.444 1.663 1.00 0.00 H new ATOM 66 N ALA C 5 -18.233 -1.106 2.386 1.00 0.00 N ATOM 67 CA ALA C 5 -18.747 -2.177 3.232 1.00 0.00 C ATOM 68 C ALA C 5 -18.563 -3.535 2.565 1.00 0.00 C ATOM 69 O ALA C 5 -18.911 -4.569 3.132 1.00 0.00 O ATOM 70 CB ALA C 5 -20.217 -1.946 3.547 1.00 0.00 C ATOM 0 H ALA C 5 -18.917 -0.724 1.733 1.00 0.00 H new ATOM 0 HA ALA C 5 -18.180 -2.172 4.163 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -20.585 -2.754 4.179 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -20.332 -0.996 4.069 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -20.789 -1.922 2.619 1.00 0.00 H new ATOM 76 N LEU C 6 -18.021 -3.527 1.355 1.00 0.00 N ATOM 77 CA LEU C 6 -17.803 -4.757 0.603 1.00 0.00 C ATOM 78 C LEU C 6 -16.431 -5.329 0.914 1.00 0.00 C ATOM 79 O LEU C 6 -15.658 -4.748 1.676 1.00 0.00 O ATOM 80 CB LEU C 6 -17.932 -4.509 -0.903 1.00 0.00 C ATOM 81 CG LEU C 6 -19.352 -4.594 -1.485 1.00 0.00 C ATOM 82 CD1 LEU C 6 -19.857 -6.025 -1.446 1.00 0.00 C ATOM 83 CD2 LEU C 6 -20.316 -3.681 -0.743 1.00 0.00 C ATOM 0 H LEU C 6 -17.723 -2.680 0.871 1.00 0.00 H new ATOM 0 HA LEU C 6 -18.567 -5.474 0.903 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -17.530 -3.520 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -17.304 -5.232 -1.424 1.00 0.00 H new ATOM 0 HG LEU C 6 -19.303 -4.260 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -20.864 -6.067 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -19.195 -6.661 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -19.876 -6.376 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -21.310 -3.767 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -20.357 -3.971 0.307 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -19.973 -2.649 -0.821 1.00 0.00 H new ATOM 95 N GLU C 7 -16.123 -6.460 0.302 1.00 0.00 N ATOM 96 CA GLU C 7 -14.924 -7.200 0.640 1.00 0.00 C ATOM 97 C GLU C 7 -13.748 -6.829 -0.257 1.00 0.00 C ATOM 98 O GLU C 7 -12.772 -7.574 -0.331 1.00 0.00 O ATOM 99 CB GLU C 7 -15.195 -8.704 0.556 1.00 0.00 C ATOM 100 CG GLU C 7 -16.311 -9.173 1.478 1.00 0.00 C ATOM 101 CD GLU C 7 -16.493 -10.676 1.457 1.00 0.00 C ATOM 102 OE1 GLU C 7 -15.915 -11.363 2.325 1.00 0.00 O ATOM 103 OE2 GLU C 7 -17.213 -11.179 0.570 1.00 0.00 O1- ATOM 0 H GLU C 7 -16.689 -6.885 -0.433 1.00 0.00 H new ATOM 0 HA GLU C 7 -14.652 -6.934 1.661 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -15.451 -8.962 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -14.281 -9.244 0.802 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -16.094 -8.852 2.497 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -17.245 -8.694 1.184 1.00 0.00 H new ATOM 110 N GLU C 8 -13.818 -5.681 -0.936 1.00 0.00 N ATOM 111 CA GLU C 8 -12.693 -5.230 -1.751 1.00 0.00 C ATOM 112 C GLU C 8 -11.491 -4.892 -0.869 1.00 0.00 C ATOM 113 O GLU C 8 -10.343 -4.934 -1.311 1.00 0.00 O ATOM 114 CB GLU C 8 -13.101 -4.022 -2.584 1.00 0.00 C ATOM 115 CG GLU C 8 -14.359 -4.258 -3.397 1.00 0.00 C ATOM 116 CD GLU C 8 -14.256 -5.462 -4.309 1.00 0.00 C ATOM 117 OE1 GLU C 8 -13.664 -5.339 -5.400 1.00 0.00 O ATOM 118 OE2 GLU C 8 -14.779 -6.538 -3.946 1.00 0.00 O1- ATOM 0 H GLU C 8 -14.626 -5.059 -0.937 1.00 0.00 H new ATOM 0 HA GLU C 8 -12.405 -6.037 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -13.257 -3.169 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -12.285 -3.760 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -15.203 -4.393 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -14.569 -3.372 -3.996 1.00 0.00 H new ATOM 125 N GLN C 9 -11.774 -4.567 0.388 1.00 0.00 N ATOM 126 CA GLN C 9 -10.739 -4.266 1.378 1.00 0.00 C ATOM 127 C GLN C 9 -10.127 -5.543 1.958 1.00 0.00 C ATOM 128 O GLN C 9 -9.415 -5.501 2.960 1.00 0.00 O ATOM 129 CB GLN C 9 -11.320 -3.427 2.524 1.00 0.00 C ATOM 130 CG GLN C 9 -11.572 -1.965 2.180 1.00 0.00 C ATOM 131 CD GLN C 9 -12.570 -1.773 1.057 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.200 -1.703 -0.115 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.841 -1.696 1.406 1.00 0.00 N ATOM 0 H GLN C 9 -12.725 -4.504 0.752 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.958 -3.704 0.866 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.259 -3.877 2.845 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.637 -3.474 3.372 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.933 -1.448 3.069 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.628 -1.498 1.900 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -14.105 -1.759 2.389 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -14.559 -1.574 0.692 1.00 0.00 H new ATOM 142 N MET C 10 -10.409 -6.672 1.332 1.00 0.00 N ATOM 143 CA MET C 10 -9.930 -7.960 1.816 1.00 0.00 C ATOM 144 C MET C 10 -8.877 -8.541 0.877 1.00 0.00 C ATOM 145 O MET C 10 -8.031 -7.804 0.375 1.00 0.00 O ATOM 146 CB MET C 10 -11.098 -8.929 2.003 1.00 0.00 C ATOM 147 CG MET C 10 -12.053 -8.511 3.105 1.00 0.00 C ATOM 148 SD MET C 10 -13.335 -9.737 3.423 1.00 0.00 S ATOM 149 CE MET C 10 -12.351 -11.135 3.962 1.00 0.00 C ATOM 0 H MET C 10 -10.971 -6.725 0.482 1.00 0.00 H new ATOM 0 HA MET C 10 -9.457 -7.807 2.786 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.648 -9.009 1.066 1.00 0.00 H new ATOM 0 HB3 MET C 10 -10.706 -9.921 2.228 1.00 0.00 H new ATOM 0 HG2 MET C 10 -11.489 -8.336 4.021 1.00 0.00 H new ATOM 0 HG3 MET C 10 -12.521 -7.565 2.834 1.00 0.00 H new ATOM 0 HE1 MET C 10 -12.967 -11.802 4.565 1.00 0.00 H new ATOM 0 HE2 MET C 10 -11.977 -11.674 3.091 1.00 0.00 H new ATOM 0 HE3 MET C 10 -11.510 -10.780 4.557 1.00 0.00 H new ATOM 159 N ASN C 11 -8.921 -9.863 0.676 1.00 0.00 N ATOM 160 CA ASN C 11 -7.914 -10.608 -0.099 1.00 0.00 C ATOM 161 C ASN C 11 -7.443 -9.867 -1.352 1.00 0.00 C ATOM 162 O ASN C 11 -6.269 -9.939 -1.704 1.00 0.00 O ATOM 163 CB ASN C 11 -8.456 -11.983 -0.513 1.00 0.00 C ATOM 164 CG ASN C 11 -8.766 -12.894 0.664 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.218 -12.448 1.721 1.00 0.00 O ATOM 166 ND2 ASN C 11 -8.515 -14.181 0.491 1.00 0.00 N ATOM 0 H ASN C 11 -9.663 -10.455 1.049 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.056 -10.719 0.563 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.362 -11.845 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.727 -12.473 -1.159 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -8.695 -14.842 1.247 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -8.141 -14.513 -0.398 1.00 0.00 H new ATOM 173 N SER C 12 -8.350 -9.158 -2.014 1.00 0.00 N ATOM 174 CA SER C 12 -8.017 -8.408 -3.221 1.00 0.00 C ATOM 175 C SER C 12 -6.819 -7.477 -2.993 1.00 0.00 C ATOM 176 O SER C 12 -5.899 -7.429 -3.807 1.00 0.00 O ATOM 177 CB SER C 12 -9.231 -7.600 -3.676 1.00 0.00 C ATOM 178 OG SER C 12 -10.370 -8.436 -3.811 1.00 0.00 O ATOM 0 H SER C 12 -9.328 -9.086 -1.733 1.00 0.00 H new ATOM 0 HA SER C 12 -7.740 -9.121 -3.998 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.438 -6.809 -2.955 1.00 0.00 H new ATOM 0 HB3 SER C 12 -9.015 -7.115 -4.628 1.00 0.00 H new ATOM 0 HG SER C 12 -11.137 -7.900 -4.101 1.00 0.00 H new ATOM 184 N ILE C 13 -6.830 -6.746 -1.887 1.00 0.00 N ATOM 185 CA ILE C 13 -5.732 -5.843 -1.562 1.00 0.00 C ATOM 186 C ILE C 13 -4.678 -6.547 -0.705 1.00 0.00 C ATOM 187 O ILE C 13 -3.488 -6.241 -0.787 1.00 0.00 O ATOM 188 CB ILE C 13 -6.240 -4.565 -0.845 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.087 -3.591 -0.582 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.950 -4.913 0.458 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.522 -2.311 0.099 1.00 0.00 C ATOM 0 H ILE C 13 -7.584 -6.759 -1.201 1.00 0.00 H new ATOM 0 HA ILE C 13 -5.271 -5.543 -2.503 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.958 -4.078 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.338 -4.086 0.036 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -4.607 -3.344 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.296 -3.998 0.940 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -7.804 -5.557 0.246 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.259 -5.433 1.121 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -4.655 -1.669 0.254 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -6.249 -1.794 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.976 -2.547 1.062 1.00 0.00 H new ATOM 203 N ASN C 14 -5.110 -7.517 0.094 1.00 0.00 N ATOM 204 CA ASN C 14 -4.208 -8.191 1.027 1.00 0.00 C ATOM 205 C ASN C 14 -3.290 -9.175 0.316 1.00 0.00 C ATOM 206 O ASN C 14 -2.248 -9.549 0.849 1.00 0.00 O ATOM 207 CB ASN C 14 -4.983 -8.915 2.120 1.00 0.00 C ATOM 208 CG ASN C 14 -5.740 -7.970 3.035 1.00 0.00 C ATOM 209 OD1 ASN C 14 -5.341 -6.821 3.231 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.833 -8.448 3.610 1.00 0.00 N ATOM 0 H ASN C 14 -6.072 -7.854 0.116 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.594 -7.414 1.482 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.687 -9.608 1.660 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.291 -9.511 2.715 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.377 -7.859 4.241 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -7.131 -9.405 3.422 1.00 0.00 H new ATOM 217 N SER C 15 -3.671 -9.600 -0.883 1.00 0.00 N ATOM 218 CA SER C 15 -2.790 -10.413 -1.712 1.00 0.00 C ATOM 219 C SER C 15 -1.520 -9.629 -2.003 1.00 0.00 C ATOM 220 O SER C 15 -0.419 -10.181 -2.059 1.00 0.00 O ATOM 221 CB SER C 15 -3.497 -10.798 -3.016 1.00 0.00 C ATOM 222 OG SER C 15 -4.193 -9.688 -3.554 1.00 0.00 O ATOM 0 H SER C 15 -4.579 -9.396 -1.301 1.00 0.00 H new ATOM 0 HA SER C 15 -2.533 -11.331 -1.183 1.00 0.00 H new ATOM 0 HB2 SER C 15 -2.766 -11.160 -3.739 1.00 0.00 H new ATOM 0 HB3 SER C 15 -4.194 -11.615 -2.830 1.00 0.00 H new ATOM 0 HG SER C 15 -5.078 -9.624 -3.138 1.00 0.00 H new ATOM 228 N VAL C 16 -1.692 -8.324 -2.154 1.00 0.00 N ATOM 229 CA VAL C 16 -0.574 -7.417 -2.292 1.00 0.00 C ATOM 230 C VAL C 16 0.214 -7.384 -0.990 1.00 0.00 C ATOM 231 O VAL C 16 1.439 -7.361 -0.999 1.00 0.00 O ATOM 232 CB VAL C 16 -1.039 -5.988 -2.646 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.151 -5.066 -2.858 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.927 -6.001 -3.877 1.00 0.00 C ATOM 0 H VAL C 16 -2.606 -7.871 -2.184 1.00 0.00 H new ATOM 0 HA VAL C 16 0.054 -7.778 -3.106 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.620 -5.606 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.204 -4.066 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.746 -5.024 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.765 -5.446 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.243 -4.984 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.372 -6.410 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.804 -6.619 -3.686 1.00 0.00 H new ATOM 244 N ASN C 17 -0.501 -7.442 0.134 1.00 0.00 N ATOM 245 CA ASN C 17 0.134 -7.341 1.448 1.00 0.00 C ATOM 246 C ASN C 17 1.047 -8.534 1.692 1.00 0.00 C ATOM 247 O ASN C 17 2.147 -8.390 2.234 1.00 0.00 O ATOM 248 CB ASN C 17 -0.908 -7.261 2.569 1.00 0.00 C ATOM 249 CG ASN C 17 -1.657 -5.939 2.617 1.00 0.00 C ATOM 250 OD1 ASN C 17 -2.025 -5.472 3.691 1.00 0.00 O ATOM 251 ND2 ASN C 17 -1.901 -5.331 1.466 1.00 0.00 N ATOM 0 H ASN C 17 -1.514 -7.558 0.161 1.00 0.00 H new ATOM 0 HA ASN C 17 0.723 -6.424 1.455 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.627 -8.071 2.443 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.412 -7.422 3.526 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.409 -4.447 1.454 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -1.581 -5.747 0.592 1.00 0.00 H new ATOM 258 N ASP C 18 0.588 -9.706 1.273 1.00 0.00 N ATOM 259 CA ASP C 18 1.353 -10.938 1.437 1.00 0.00 C ATOM 260 C ASP C 18 2.591 -10.937 0.552 1.00 0.00 C ATOM 261 O ASP C 18 3.593 -11.578 0.869 1.00 0.00 O ATOM 262 CB ASP C 18 0.495 -12.161 1.104 1.00 0.00 C ATOM 263 CG ASP C 18 -0.678 -12.340 2.046 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.492 -12.188 3.267 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.788 -12.662 1.567 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.315 -9.831 0.815 1.00 0.00 H new ATOM 0 HA ASP C 18 1.664 -10.990 2.481 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.123 -12.069 0.084 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.119 -13.054 1.136 1.00 0.00 H new ATOM 270 N LYS C 19 2.521 -10.210 -0.556 1.00 0.00 N ATOM 271 CA LYS C 19 3.629 -10.148 -1.499 1.00 0.00 C ATOM 272 C LYS C 19 4.595 -9.043 -1.111 1.00 0.00 C ATOM 273 O LYS C 19 5.790 -9.118 -1.393 1.00 0.00 O ATOM 274 CB LYS C 19 3.119 -9.929 -2.925 1.00 0.00 C ATOM 275 CG LYS C 19 2.389 -11.133 -3.494 1.00 0.00 C ATOM 276 CD LYS C 19 2.136 -10.987 -4.987 1.00 0.00 C ATOM 277 CE LYS C 19 1.207 -9.825 -5.302 1.00 0.00 C ATOM 278 NZ LYS C 19 0.872 -9.769 -6.750 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.708 -9.655 -0.823 1.00 0.00 H new ATOM 0 HA LYS C 19 4.156 -11.102 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.450 -9.069 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.962 -9.685 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS C 19 2.975 -12.033 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS C 19 1.439 -11.261 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS C 19 3.085 -10.841 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS C 19 1.704 -11.910 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS C 19 0.291 -9.923 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS C 19 1.678 -8.890 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 0.237 -8.965 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 1.744 -9.651 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 0.400 -10.652 -7.032 1.00 0.00 H new ATOM 292 N LEU C 20 4.065 -8.011 -0.475 1.00 0.00 N ATOM 293 CA LEU C 20 4.883 -6.928 0.044 1.00 0.00 C ATOM 294 C LEU C 20 5.692 -7.407 1.241 1.00 0.00 C ATOM 295 O LEU C 20 6.836 -6.996 1.440 1.00 0.00 O ATOM 296 CB LEU C 20 3.998 -5.739 0.419 1.00 0.00 C ATOM 297 CG LEU C 20 3.254 -5.091 -0.754 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.503 -3.853 -0.292 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.220 -4.742 -1.876 1.00 0.00 C ATOM 0 H LEU C 20 3.065 -7.901 -0.305 1.00 0.00 H new ATOM 0 HA LEU C 20 5.581 -6.605 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.266 -6.068 1.157 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.617 -4.982 0.900 1.00 0.00 H new ATOM 0 HG LEU C 20 2.530 -5.809 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.981 -3.407 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.780 -4.131 0.474 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.209 -3.132 0.120 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.672 -4.283 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.970 -4.043 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.711 -5.649 -2.228 1.00 0.00 H new ATOM 311 N ASN C 21 5.097 -8.293 2.023 1.00 0.00 N ATOM 312 CA ASN C 21 5.796 -8.936 3.125 1.00 0.00 C ATOM 313 C ASN C 21 6.562 -10.157 2.608 1.00 0.00 C ATOM 314 O ASN C 21 6.245 -11.300 2.942 1.00 0.00 O ATOM 315 CB ASN C 21 4.803 -9.337 4.228 1.00 0.00 C ATOM 316 CG ASN C 21 4.380 -8.165 5.105 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.013 -7.887 6.120 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.307 -7.472 4.732 1.00 0.00 N ATOM 0 H ASN C 21 4.126 -8.585 1.914 1.00 0.00 H new ATOM 0 HA ASN C 21 6.510 -8.234 3.555 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.918 -9.778 3.769 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.255 -10.107 4.853 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.988 -6.684 5.295 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.804 -7.729 3.883 1.00 0.00 H new ATOM 325 N LYS C 22 7.569 -9.897 1.774 1.00 0.00 N ATOM 326 CA LYS C 22 8.307 -10.959 1.083 1.00 0.00 C ATOM 327 C LYS C 22 9.587 -11.378 1.809 1.00 0.00 C ATOM 328 O LYS C 22 10.053 -12.506 1.647 1.00 0.00 O ATOM 329 CB LYS C 22 8.645 -10.544 -0.362 1.00 0.00 C ATOM 330 CG LYS C 22 8.854 -9.043 -0.589 1.00 0.00 C ATOM 331 CD LYS C 22 9.957 -8.451 0.280 1.00 0.00 C ATOM 332 CE LYS C 22 10.184 -6.976 -0.029 1.00 0.00 C ATOM 333 NZ LYS C 22 8.900 -6.245 -0.216 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.895 -8.955 1.559 1.00 0.00 H new ATOM 0 HA LYS C 22 7.643 -11.824 1.073 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.549 -11.069 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.842 -10.884 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS C 22 9.095 -8.871 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.920 -8.518 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.694 -8.567 1.331 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.883 -9.003 0.120 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.748 -6.517 0.783 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.790 -6.883 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.954 -5.322 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.727 -6.102 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.122 -6.800 0.193 1.00 0.00 H new ATOM 347 N GLY C 23 10.152 -10.484 2.603 1.00 0.00 N ATOM 348 CA GLY C 23 11.424 -10.760 3.244 1.00 0.00 C ATOM 349 C GLY C 23 11.996 -9.520 3.880 1.00 0.00 C ATOM 350 O GLY C 23 12.009 -9.394 5.097 1.00 0.00 O ATOM 0 H GLY C 23 9.754 -9.570 2.817 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.292 -11.532 4.002 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.127 -11.152 2.509 1.00 0.00 H new ATOM 354 N LYS C 24 12.482 -8.604 3.059 1.00 0.00 N ATOM 355 CA LYS C 24 12.821 -7.276 3.533 1.00 0.00 C ATOM 356 C LYS C 24 11.606 -6.379 3.386 1.00 0.00 C ATOM 357 O LYS C 24 10.538 -6.860 3.009 1.00 0.00 O ATOM 358 CB LYS C 24 13.967 -6.677 2.721 1.00 0.00 C ATOM 359 CG LYS C 24 15.168 -7.588 2.535 1.00 0.00 C ATOM 360 CD LYS C 24 16.173 -7.422 3.656 1.00 0.00 C ATOM 361 CE LYS C 24 15.842 -8.289 4.862 1.00 0.00 C ATOM 362 NZ LYS C 24 15.921 -9.739 4.542 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.650 -8.756 2.064 1.00 0.00 H new ATOM 0 HA LYS C 24 13.131 -7.350 4.575 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.588 -6.396 1.739 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.298 -5.760 3.209 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.836 -8.625 2.494 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.647 -7.369 1.581 1.00 0.00 H new ATOM 0 HD2 LYS C 24 17.168 -7.677 3.290 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.204 -6.376 3.961 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.531 -8.059 5.675 1.00 0.00 H new ATOM 0 HE3 LYS C 24 14.839 -8.050 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 16.095 -10.278 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 15.025 -10.050 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 16.699 -9.905 3.872 1.00 0.00 H new ATOM 376 N GLY C 25 11.794 -5.105 3.734 1.00 0.00 N ATOM 377 CA GLY C 25 10.867 -4.025 3.407 1.00 0.00 C ATOM 378 C GLY C 25 9.448 -4.431 3.140 1.00 0.00 C ATOM 379 O GLY C 25 9.103 -4.840 2.032 1.00 0.00 O ATOM 0 H GLY C 25 12.610 -4.791 4.260 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.870 -3.310 4.229 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.245 -3.502 2.528 1.00 0.00 H new ATOM 383 N LYS C 26 8.612 -4.260 4.121 1.00 0.00 N ATOM 384 CA LYS C 26 7.280 -4.808 4.047 1.00 0.00 C ATOM 385 C LYS C 26 6.221 -3.789 4.413 1.00 0.00 C ATOM 386 O LYS C 26 6.484 -2.830 5.138 1.00 0.00 O ATOM 387 CB LYS C 26 7.233 -6.017 4.949 1.00 0.00 C ATOM 388 CG LYS C 26 7.895 -5.755 6.280 1.00 0.00 C ATOM 389 CD LYS C 26 8.375 -7.040 6.920 1.00 0.00 C ATOM 390 CE LYS C 26 9.444 -7.704 6.076 1.00 0.00 C ATOM 391 NZ LYS C 26 10.160 -8.755 6.844 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.822 -3.750 4.979 1.00 0.00 H new ATOM 0 HA LYS C 26 7.057 -5.098 3.020 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.195 -6.308 5.111 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.726 -6.856 4.457 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.738 -5.078 6.142 1.00 0.00 H new ATOM 0 HG3 LYS C 26 7.191 -5.256 6.946 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.771 -6.829 7.914 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.534 -7.721 7.050 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.989 -8.145 5.189 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.156 -6.954 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.751 -9.316 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.763 -8.309 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.468 -9.378 7.308 1.00 0.00 H new ATOM 405 N LEU C 27 5.022 -4.018 3.902 1.00 0.00 N ATOM 406 CA LEU C 27 3.935 -3.072 4.027 1.00 0.00 C ATOM 407 C LEU C 27 2.660 -3.809 4.426 1.00 0.00 C ATOM 408 O LEU C 27 2.223 -4.728 3.731 1.00 0.00 O ATOM 409 CB LEU C 27 3.731 -2.366 2.681 1.00 0.00 C ATOM 410 CG LEU C 27 3.427 -0.869 2.741 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.235 -0.310 1.341 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.203 -0.594 3.595 1.00 0.00 C ATOM 0 H LEU C 27 4.779 -4.866 3.390 1.00 0.00 H new ATOM 0 HA LEU C 27 4.172 -2.334 4.793 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.629 -2.509 2.080 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.914 -2.860 2.156 1.00 0.00 H new ATOM 0 HG LEU C 27 4.279 -0.370 3.203 1.00 0.00 H new ATOM 0 HD11 LEU C 27 3.019 0.757 1.402 1.00 0.00 H new ATOM 0 HD12 LEU C 27 4.144 -0.464 0.760 1.00 0.00 H new ATOM 0 HD13 LEU C 27 2.403 -0.821 0.856 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.010 0.479 3.620 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.340 -1.108 3.171 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.378 -0.955 4.609 1.00 0.00 H new ATOM 424 N SER C 28 2.082 -3.423 5.548 1.00 0.00 N ATOM 425 CA SER C 28 0.835 -4.015 6.003 1.00 0.00 C ATOM 426 C SER C 28 -0.287 -2.975 5.963 1.00 0.00 C ATOM 427 O SER C 28 -0.278 -2.012 6.730 1.00 0.00 O ATOM 428 CB SER C 28 1.010 -4.564 7.416 1.00 0.00 C ATOM 429 OG SER C 28 2.039 -5.542 7.450 1.00 0.00 O ATOM 0 H SER C 28 2.456 -2.701 6.163 1.00 0.00 H new ATOM 0 HA SER C 28 0.564 -4.837 5.340 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.252 -3.751 8.100 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.073 -5.002 7.760 1.00 0.00 H new ATOM 0 HG SER C 28 2.138 -5.881 8.364 1.00 0.00 H new ATOM 435 N LEU C 29 -1.250 -3.176 5.072 1.00 0.00 N ATOM 436 CA LEU C 29 -2.291 -2.183 4.814 1.00 0.00 C ATOM 437 C LEU C 29 -3.572 -2.511 5.544 1.00 0.00 C ATOM 438 O LEU C 29 -3.928 -3.681 5.707 1.00 0.00 O ATOM 439 CB LEU C 29 -2.590 -2.085 3.312 1.00 0.00 C ATOM 440 CG LEU C 29 -1.459 -1.557 2.421 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.343 -2.580 2.263 1.00 0.00 C ATOM 442 CD2 LEU C 29 -2.012 -1.177 1.063 1.00 0.00 C ATOM 0 H LEU C 29 -1.333 -4.024 4.511 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.912 -1.229 5.180 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.871 -3.076 2.955 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.458 -1.440 3.179 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.034 -0.677 2.903 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.440 -2.169 1.625 1.00 0.00 H new ATOM 0 HD12 LEU C 29 0.074 -2.818 3.242 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.742 -3.487 1.809 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -1.205 -0.802 0.433 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -2.461 -2.053 0.595 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -2.769 -0.402 1.182 1.00 0.00 H new ATOM 454 N SER C 30 -4.253 -1.473 6.005 1.00 0.00 N ATOM 455 CA SER C 30 -5.577 -1.633 6.555 1.00 0.00 C ATOM 456 C SER C 30 -6.419 -0.376 6.340 1.00 0.00 C ATOM 457 O SER C 30 -5.973 0.739 6.626 1.00 0.00 O ATOM 458 CB SER C 30 -5.510 -1.964 8.045 1.00 0.00 C ATOM 459 OG SER C 30 -4.720 -3.117 8.283 1.00 0.00 O ATOM 0 H SER C 30 -3.905 -0.514 6.006 1.00 0.00 H new ATOM 0 HA SER C 30 -6.052 -2.462 6.031 1.00 0.00 H new ATOM 0 HB2 SER C 30 -5.093 -1.117 8.589 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.517 -2.125 8.429 1.00 0.00 H new ATOM 0 HG SER C 30 -4.477 -3.529 7.428 1.00 0.00 H new ATOM 465 N MET C 31 -7.631 -0.561 5.835 1.00 0.00 N ATOM 466 CA MET C 31 -8.564 0.542 5.646 1.00 0.00 C ATOM 467 C MET C 31 -9.541 0.611 6.808 1.00 0.00 C ATOM 468 O MET C 31 -10.266 -0.345 7.080 1.00 0.00 O ATOM 469 CB MET C 31 -9.339 0.391 4.335 1.00 0.00 C ATOM 470 CG MET C 31 -8.508 0.661 3.093 1.00 0.00 C ATOM 471 SD MET C 31 -9.444 0.478 1.561 1.00 0.00 S ATOM 472 CE MET C 31 -10.774 1.653 1.820 1.00 0.00 C ATOM 0 H MET C 31 -7.993 -1.470 5.547 1.00 0.00 H new ATOM 0 HA MET C 31 -7.985 1.464 5.603 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.742 -0.620 4.277 1.00 0.00 H new ATOM 0 HB3 MET C 31 -10.189 1.073 4.347 1.00 0.00 H new ATOM 0 HG2 MET C 31 -8.104 1.672 3.146 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.658 -0.021 3.076 1.00 0.00 H new ATOM 0 HE1 MET C 31 -11.218 1.918 0.860 1.00 0.00 H new ATOM 0 HE2 MET C 31 -11.535 1.206 2.460 1.00 0.00 H new ATOM 0 HE3 MET C 31 -10.379 2.550 2.297 1.00 0.00 H new ATOM 482 N ASN C 32 -9.550 1.737 7.495 1.00 0.00 N ATOM 483 CA ASN C 32 -10.449 1.940 8.621 1.00 0.00 C ATOM 484 C ASN C 32 -11.313 3.166 8.364 1.00 0.00 C ATOM 485 O ASN C 32 -10.924 4.288 8.692 1.00 0.00 O ATOM 486 CB ASN C 32 -9.652 2.108 9.924 1.00 0.00 C ATOM 487 CG ASN C 32 -10.532 2.160 11.167 1.00 0.00 C ATOM 488 OD1 ASN C 32 -11.673 2.620 11.130 1.00 0.00 O ATOM 489 ND2 ASN C 32 -10.004 1.686 12.283 1.00 0.00 N ATOM 0 H ASN C 32 -8.942 2.531 7.294 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.090 1.065 8.728 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -8.948 1.281 10.020 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.063 3.023 9.866 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -10.546 1.695 13.147 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -9.055 1.312 12.279 1.00 0.00 H new ATOM 496 N GLY C 33 -12.475 2.943 7.762 1.00 0.00 N ATOM 497 CA GLY C 33 -13.390 4.027 7.459 1.00 0.00 C ATOM 498 C GLY C 33 -12.811 5.024 6.469 1.00 0.00 C ATOM 499 O GLY C 33 -12.905 4.832 5.258 1.00 0.00 O ATOM 0 H GLY C 33 -12.802 2.020 7.476 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.314 3.614 7.054 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.650 4.546 8.381 1.00 0.00 H new ATOM 503 N ASN C 34 -12.200 6.083 6.985 1.00 0.00 N ATOM 504 CA ASN C 34 -11.632 7.142 6.157 1.00 0.00 C ATOM 505 C ASN C 34 -10.115 7.166 6.285 1.00 0.00 C ATOM 506 O ASN C 34 -9.487 8.220 6.187 1.00 0.00 O ATOM 507 CB ASN C 34 -12.188 8.505 6.574 1.00 0.00 C ATOM 508 CG ASN C 34 -11.978 8.792 8.052 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.918 8.746 8.846 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.733 9.032 8.441 1.00 0.00 N ATOM 0 H ASN C 34 -12.084 6.233 7.987 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.905 6.939 5.121 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.708 9.286 5.984 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.253 8.544 6.347 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.528 9.186 9.428 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.981 9.062 7.753 1.00 0.00 H new ATOM 517 N GLN C 35 -9.527 6.013 6.512 1.00 0.00 N ATOM 518 CA GLN C 35 -8.122 5.947 6.837 1.00 0.00 C ATOM 519 C GLN C 35 -7.453 4.737 6.219 1.00 0.00 C ATOM 520 O GLN C 35 -7.996 3.633 6.230 1.00 0.00 O ATOM 521 CB GLN C 35 -7.931 5.903 8.349 1.00 0.00 C ATOM 522 CG GLN C 35 -6.486 5.688 8.755 1.00 0.00 C ATOM 523 CD GLN C 35 -6.303 5.618 10.256 1.00 0.00 C ATOM 524 OE1 GLN C 35 -6.074 6.634 10.908 1.00 0.00 O ATOM 525 NE2 GLN C 35 -6.408 4.423 10.813 1.00 0.00 N ATOM 0 H GLN C 35 -10.000 5.110 6.477 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.657 6.843 6.426 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.290 6.836 8.783 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.543 5.102 8.764 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.121 4.765 8.306 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -5.877 6.499 8.357 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -6.599 3.605 10.234 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -6.298 4.319 11.822 1.00 0.00 H new ATOM 534 N LEU C 36 -6.269 4.964 5.691 1.00 0.00 N ATOM 535 CA LEU C 36 -5.398 3.894 5.271 1.00 0.00 C ATOM 536 C LEU C 36 -4.208 3.878 6.218 1.00 0.00 C ATOM 537 O LEU C 36 -3.296 4.692 6.092 1.00 0.00 O ATOM 538 CB LEU C 36 -4.949 4.126 3.818 1.00 0.00 C ATOM 539 CG LEU C 36 -4.324 2.927 3.071 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.039 2.444 3.731 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.318 1.785 2.961 1.00 0.00 C ATOM 0 H LEU C 36 -5.886 5.897 5.542 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.911 2.933 5.304 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.814 4.466 3.248 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.225 4.941 3.814 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.068 3.275 2.070 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.637 1.600 3.170 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.309 3.253 3.742 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.250 2.132 4.754 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.857 0.951 2.432 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.613 1.462 3.959 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.198 2.121 2.413 1.00 0.00 H new ATOM 553 N LYS C 37 -4.241 2.981 7.188 1.00 0.00 N ATOM 554 CA LYS C 37 -3.138 2.847 8.120 1.00 0.00 C ATOM 555 C LYS C 37 -2.251 1.723 7.621 1.00 0.00 C ATOM 556 O LYS C 37 -2.746 0.732 7.077 1.00 0.00 O ATOM 557 CB LYS C 37 -3.632 2.558 9.546 1.00 0.00 C ATOM 558 CG LYS C 37 -4.348 1.225 9.715 1.00 0.00 C ATOM 559 CD LYS C 37 -4.762 1.006 11.163 1.00 0.00 C ATOM 560 CE LYS C 37 -5.517 -0.302 11.352 1.00 0.00 C ATOM 561 NZ LYS C 37 -4.649 -1.497 11.159 1.00 0.00 N1+ ATOM 0 H LYS C 37 -5.016 2.338 7.350 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.582 3.783 8.169 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.779 2.585 10.224 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.306 3.358 9.851 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.229 1.198 9.073 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.694 0.414 9.394 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.875 1.007 11.797 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.388 1.836 11.490 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.947 -0.328 12.353 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -6.348 -0.343 10.647 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.192 -2.248 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -3.830 -1.240 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -4.318 -1.838 12.084 1.00 0.00 H new ATOM 575 N ALA C 38 -0.959 1.876 7.776 1.00 0.00 N ATOM 576 CA ALA C 38 -0.025 0.940 7.191 1.00 0.00 C ATOM 577 C ALA C 38 1.242 0.863 8.009 1.00 0.00 C ATOM 578 O ALA C 38 1.914 1.869 8.224 1.00 0.00 O ATOM 579 CB ALA C 38 0.287 1.340 5.759 1.00 0.00 C ATOM 0 H ALA C 38 -0.529 2.637 8.301 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.483 -0.049 7.187 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.991 0.629 5.328 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.632 1.341 5.173 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.726 2.338 5.747 1.00 0.00 H new ATOM 585 N THR C 39 1.564 -0.328 8.468 1.00 0.00 N ATOM 586 CA THR C 39 2.775 -0.534 9.221 1.00 0.00 C ATOM 587 C THR C 39 3.856 -1.085 8.307 1.00 0.00 C ATOM 588 O THR C 39 3.577 -1.871 7.398 1.00 0.00 O ATOM 589 CB THR C 39 2.551 -1.493 10.403 1.00 0.00 C ATOM 590 OG1 THR C 39 2.108 -2.763 9.917 1.00 0.00 O ATOM 591 CG2 THR C 39 1.529 -0.926 11.377 1.00 0.00 C ATOM 0 H THR C 39 1.001 -1.167 8.331 1.00 0.00 H new ATOM 0 HA THR C 39 3.088 0.428 9.627 1.00 0.00 H new ATOM 0 HB THR C 39 3.496 -1.615 10.932 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.968 -3.372 10.672 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.388 -1.623 12.203 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.886 0.029 11.764 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.580 -0.777 10.863 1.00 0.00 H new ATOM 599 N SER C 40 5.072 -0.653 8.546 1.00 0.00 N ATOM 600 CA SER C 40 6.209 -1.065 7.755 1.00 0.00 C ATOM 601 C SER C 40 7.273 -1.629 8.673 1.00 0.00 C ATOM 602 O SER C 40 7.768 -0.931 9.560 1.00 0.00 O ATOM 603 CB SER C 40 6.750 0.138 6.996 1.00 0.00 C ATOM 604 OG SER C 40 6.929 1.234 7.878 1.00 0.00 O ATOM 0 H SER C 40 5.302 -0.003 9.298 1.00 0.00 H new ATOM 0 HA SER C 40 5.913 -1.833 7.040 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.699 -0.117 6.524 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.061 0.413 6.198 1.00 0.00 H new ATOM 0 HG SER C 40 7.126 0.901 8.778 1.00 0.00 H new ATOM 610 N SER C 41 7.617 -2.882 8.478 1.00 0.00 N ATOM 611 CA SER C 41 8.585 -3.520 9.339 1.00 0.00 C ATOM 612 C SER C 41 9.958 -3.559 8.666 1.00 0.00 C ATOM 613 O SER C 41 10.084 -3.214 7.480 1.00 0.00 O ATOM 614 CB SER C 41 8.102 -4.923 9.732 1.00 0.00 C ATOM 615 OG SER C 41 9.009 -5.569 10.611 1.00 0.00 O ATOM 0 H SER C 41 7.244 -3.475 7.737 1.00 0.00 H new ATOM 0 HA SER C 41 8.687 -2.936 10.254 1.00 0.00 H new ATOM 0 HB2 SER C 41 7.125 -4.850 10.209 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.974 -5.527 8.834 1.00 0.00 H new ATOM 0 HG SER C 41 8.666 -6.458 10.839 1.00 0.00 H new ATOM 621 N ASN C 42 10.956 -4.007 9.441 1.00 0.00 N ATOM 622 CA ASN C 42 12.376 -3.989 9.069 1.00 0.00 C ATOM 623 C ASN C 42 12.997 -2.620 9.313 1.00 0.00 C ATOM 624 O ASN C 42 13.929 -2.227 8.624 1.00 0.00 O ATOM 625 CB ASN C 42 12.618 -4.440 7.623 1.00 0.00 C ATOM 626 CG ASN C 42 12.573 -5.946 7.459 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.146 -6.451 6.428 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.040 -6.678 8.459 1.00 0.00 N ATOM 0 H ASN C 42 10.793 -4.402 10.367 1.00 0.00 H new ATOM 0 HA ASN C 42 12.868 -4.715 9.717 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.867 -3.987 6.976 1.00 0.00 H new ATOM 0 HB3 ASN C 42 13.589 -4.072 7.291 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.052 -7.695 8.384 1.00 0.00 H new ATOM 0 HD22 ASN C 42 13.388 -6.225 9.304 1.00 0.00 H new ATOM 635 N ALA C 43 12.450 -1.902 10.295 1.00 0.00 N ATOM 636 CA ALA C 43 13.063 -0.688 10.858 1.00 0.00 C ATOM 637 C ALA C 43 13.548 0.319 9.808 1.00 0.00 C ATOM 638 O ALA C 43 14.575 0.974 10.001 1.00 0.00 O ATOM 639 CB ALA C 43 14.217 -1.070 11.774 1.00 0.00 C ATOM 0 H ALA C 43 11.560 -2.146 10.729 1.00 0.00 H new ATOM 0 HA ALA C 43 12.273 -0.185 11.416 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.667 -0.168 12.188 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.846 -1.695 12.586 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.966 -1.621 11.205 1.00 0.00 H new ATOM 645 N GLY C 44 12.828 0.449 8.708 1.00 0.00 N ATOM 646 CA GLY C 44 13.174 1.455 7.722 1.00 0.00 C ATOM 647 C GLY C 44 13.888 0.885 6.512 1.00 0.00 C ATOM 648 O GLY C 44 14.084 1.583 5.517 1.00 0.00 O ATOM 0 H GLY C 44 12.013 -0.120 8.478 1.00 0.00 H new ATOM 0 HA2 GLY C 44 12.266 1.961 7.395 1.00 0.00 H new ATOM 0 HA3 GLY C 44 13.808 2.209 8.189 1.00 0.00 H new ATOM 652 N TYR C 45 14.286 -0.377 6.590 1.00 0.00 N ATOM 653 CA TYR C 45 14.930 -1.030 5.461 1.00 0.00 C ATOM 654 C TYR C 45 13.927 -1.260 4.349 1.00 0.00 C ATOM 655 O TYR C 45 12.760 -1.579 4.601 1.00 0.00 O ATOM 656 CB TYR C 45 15.560 -2.358 5.874 1.00 0.00 C ATOM 657 CG TYR C 45 16.789 -2.200 6.753 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.733 -2.393 8.132 1.00 0.00 C ATOM 659 CD2 TYR C 45 18.013 -1.846 6.196 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.854 -2.236 8.922 1.00 0.00 C ATOM 661 CE2 TYR C 45 19.139 -1.691 6.983 1.00 0.00 C ATOM 662 CZ TYR C 45 19.052 -1.887 8.344 1.00 0.00 C ATOM 663 OH TYR C 45 20.169 -1.726 9.133 1.00 0.00 O ATOM 0 H TYR C 45 14.175 -0.965 7.416 1.00 0.00 H new ATOM 0 HA TYR C 45 15.723 -0.374 5.103 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.817 -2.953 6.405 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.833 -2.915 4.978 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.796 -2.670 8.591 1.00 0.00 H new ATOM 0 HD2 TYR C 45 18.085 -1.689 5.130 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.790 -2.387 9.990 1.00 0.00 H new ATOM 0 HE2 TYR C 45 20.082 -1.418 6.533 1.00 0.00 H new ATOM 0 HH TYR C 45 20.934 -1.481 8.571 1.00 0.00 H new ATOM 673 N GLY C 46 14.383 -1.079 3.122 1.00 0.00 N ATOM 674 CA GLY C 46 13.526 -1.267 1.980 1.00 0.00 C ATOM 675 C GLY C 46 13.585 -2.682 1.448 1.00 0.00 C ATOM 676 O GLY C 46 13.849 -3.625 2.192 1.00 0.00 O ATOM 0 H GLY C 46 15.339 -0.803 2.898 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.499 -1.027 2.255 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.816 -0.572 1.192 1.00 0.00 H new ATOM 680 N ILE C 47 13.367 -2.817 0.154 1.00 0.00 N ATOM 681 CA ILE C 47 13.324 -4.117 -0.506 1.00 0.00 C ATOM 682 C ILE C 47 14.671 -4.788 -0.494 1.00 0.00 C ATOM 683 O ILE C 47 14.834 -5.875 0.050 1.00 0.00 O ATOM 684 CB ILE C 47 12.922 -3.959 -1.969 1.00 0.00 C ATOM 685 CG1 ILE C 47 11.625 -3.166 -2.069 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.790 -5.311 -2.653 1.00 0.00 C ATOM 687 CD1 ILE C 47 10.526 -3.681 -1.161 1.00 0.00 C ATOM 0 H ILE C 47 13.214 -2.029 -0.475 1.00 0.00 H new ATOM 0 HA ILE C 47 12.599 -4.719 0.041 1.00 0.00 H new ATOM 0 HB ILE C 47 13.708 -3.409 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.827 -2.123 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE C 47 11.273 -3.190 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.503 -5.165 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.745 -5.835 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE C 47 12.028 -5.903 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.633 -3.068 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE C 47 10.295 -4.715 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.858 -3.631 -0.124 1.00 0.00 H new ATOM 699 N SER C 48 15.621 -4.143 -1.136 1.00 0.00 N ATOM 700 CA SER C 48 16.946 -4.682 -1.246 1.00 0.00 C ATOM 701 C SER C 48 17.868 -3.673 -1.932 1.00 0.00 C ATOM 702 O SER C 48 18.625 -2.953 -1.275 1.00 0.00 O ATOM 703 CB SER C 48 16.909 -6.015 -2.010 1.00 0.00 C ATOM 704 OG SER C 48 16.381 -5.842 -3.320 1.00 0.00 O ATOM 0 H SER C 48 15.492 -3.239 -1.590 1.00 0.00 H new ATOM 0 HA SER C 48 17.342 -4.875 -0.249 1.00 0.00 H new ATOM 0 HB2 SER C 48 17.915 -6.430 -2.072 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.301 -6.735 -1.462 1.00 0.00 H new ATOM 0 HG SER C 48 15.724 -6.546 -3.503 1.00 0.00 H new ATOM 710 N TYR C 49 17.768 -3.620 -3.252 1.00 0.00 N ATOM 711 CA TYR C 49 18.506 -2.671 -4.070 1.00 0.00 C ATOM 712 C TYR C 49 17.934 -2.705 -5.486 1.00 0.00 C ATOM 713 O TYR C 49 18.626 -2.444 -6.469 1.00 0.00 O ATOM 714 CB TYR C 49 20.000 -3.028 -4.075 1.00 0.00 C ATOM 715 CG TYR C 49 20.911 -1.939 -4.630 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.746 -2.171 -5.727 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.937 -0.673 -4.051 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.572 -1.177 -6.216 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.762 0.322 -4.541 1.00 0.00 C ATOM 720 CZ TYR C 49 22.576 0.066 -5.621 1.00 0.00 C ATOM 721 OH TYR C 49 23.401 1.056 -6.108 1.00 0.00 O ATOM 0 H TYR C 49 17.165 -4.242 -3.791 1.00 0.00 H new ATOM 0 HA TYR C 49 18.406 -1.665 -3.662 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.309 -3.257 -3.055 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.141 -3.936 -4.662 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.745 -3.142 -6.200 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.301 -0.465 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR C 49 23.213 -1.374 -7.063 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.768 1.298 -4.078 1.00 0.00 H new ATOM 0 HH TYR C 49 23.282 1.871 -5.577 1.00 0.00 H new ATOM 731 N GLU C 50 16.653 -3.044 -5.574 1.00 0.00 N ATOM 732 CA GLU C 50 15.987 -3.221 -6.857 1.00 0.00 C ATOM 733 C GLU C 50 14.884 -2.184 -7.039 1.00 0.00 C ATOM 734 O GLU C 50 14.107 -1.921 -6.120 1.00 0.00 O ATOM 735 CB GLU C 50 15.425 -4.645 -6.955 1.00 0.00 C ATOM 736 CG GLU C 50 14.468 -5.002 -5.825 1.00 0.00 C ATOM 737 CD GLU C 50 14.139 -6.481 -5.775 1.00 0.00 C ATOM 738 OE1 GLU C 50 14.531 -7.150 -4.796 1.00 0.00 O ATOM 739 OE2 GLU C 50 13.488 -6.980 -6.712 1.00 0.00 O1- ATOM 0 H GLU C 50 16.052 -3.203 -4.765 1.00 0.00 H new ATOM 0 HA GLU C 50 16.712 -3.076 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.907 -4.758 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.253 -5.354 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU C 50 14.908 -4.701 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.546 -4.434 -5.944 1.00 0.00 H new ATOM 746 N ASP C 51 14.822 -1.595 -8.222 1.00 0.00 N ATOM 747 CA ASP C 51 13.898 -0.501 -8.487 1.00 0.00 C ATOM 748 C ASP C 51 12.565 -1.003 -9.008 1.00 0.00 C ATOM 749 O ASP C 51 12.462 -1.500 -10.132 1.00 0.00 O ATOM 750 CB ASP C 51 14.507 0.481 -9.485 1.00 0.00 C ATOM 751 CG ASP C 51 13.590 1.653 -9.785 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.465 2.549 -8.929 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.002 1.692 -10.890 1.00 0.00 O1- ATOM 0 H ASP C 51 15.403 -1.857 -9.018 1.00 0.00 H new ATOM 0 HA ASP C 51 13.719 0.009 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.452 0.855 -9.090 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.735 -0.044 -10.413 1.00 0.00 H new ATOM 758 N LYS C 52 11.557 -0.885 -8.172 1.00 0.00 N ATOM 759 CA LYS C 52 10.200 -1.227 -8.545 1.00 0.00 C ATOM 760 C LYS C 52 9.355 0.028 -8.633 1.00 0.00 C ATOM 761 O LYS C 52 9.471 0.924 -7.792 1.00 0.00 O ATOM 762 CB LYS C 52 9.603 -2.168 -7.514 1.00 0.00 C ATOM 763 CG LYS C 52 9.666 -3.637 -7.865 1.00 0.00 C ATOM 764 CD LYS C 52 11.051 -4.077 -8.319 1.00 0.00 C ATOM 765 CE LYS C 52 11.118 -5.590 -8.462 1.00 0.00 C ATOM 766 NZ LYS C 52 12.445 -6.058 -8.940 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.654 -0.549 -7.214 1.00 0.00 H new ATOM 0 HA LYS C 52 10.215 -1.719 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.119 -2.016 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.560 -1.894 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.369 -4.226 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS C 52 8.946 -3.848 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.293 -3.606 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.798 -3.742 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS C 52 10.898 -6.053 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.347 -5.920 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.323 -6.625 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 13.049 -5.237 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 12.893 -6.641 -8.204 1.00 0.00 H new ATOM 780 N ASN C 53 8.504 0.077 -9.636 1.00 0.00 N ATOM 781 CA ASN C 53 7.638 1.229 -9.848 1.00 0.00 C ATOM 782 C ASN C 53 6.278 0.985 -9.221 1.00 0.00 C ATOM 783 O ASN C 53 5.575 0.043 -9.582 1.00 0.00 O ATOM 784 CB ASN C 53 7.513 1.557 -11.342 1.00 0.00 C ATOM 785 CG ASN C 53 7.563 0.325 -12.220 1.00 0.00 C ATOM 786 OD1 ASN C 53 6.415 -0.267 -12.482 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 8.636 -0.094 -12.658 1.00 0.00 N flip ATOM 0 H ASN C 53 8.389 -0.668 -10.323 1.00 0.00 H new ATOM 0 HA ASN C 53 8.088 2.095 -9.361 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.575 2.084 -11.516 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.317 2.235 -11.629 1.00 0.00 H new ATOM 0 HD21 ASN C 53 9.504 0.392 -12.433 1.00 0.00 H new ATOM 0 HD22 ASN C 53 8.656 -0.927 -13.246 1.00 0.00 H new ATOM 794 N TRP C 54 5.926 1.838 -8.273 1.00 0.00 N ATOM 795 CA TRP C 54 4.776 1.622 -7.415 1.00 0.00 C ATOM 796 C TRP C 54 3.668 2.640 -7.637 1.00 0.00 C ATOM 797 O TRP C 54 3.902 3.669 -8.257 1.00 0.00 O ATOM 798 CB TRP C 54 5.244 1.741 -5.989 1.00 0.00 C ATOM 799 CG TRP C 54 5.045 0.501 -5.234 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.942 -0.479 -4.996 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.839 0.114 -4.638 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.350 -1.476 -4.257 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.045 -1.123 -4.025 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.604 0.719 -4.570 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.030 -1.773 -3.340 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.606 0.091 -3.908 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.814 -1.150 -3.293 1.00 0.00 C ATOM 0 H TRP C 54 6.432 2.702 -8.077 1.00 0.00 H new ATOM 0 HA TRP C 54 4.365 0.639 -7.645 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.301 2.006 -5.977 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.706 2.553 -5.499 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.968 -0.480 -5.334 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.804 -2.331 -3.936 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.435 1.678 -5.037 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 3.193 -2.729 -2.865 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.632 0.554 -3.853 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.997 -1.625 -2.771 1.00 0.00 H new ATOM 818 N GLY C 55 2.457 2.372 -7.115 1.00 0.00 N ATOM 819 CA GLY C 55 1.435 3.394 -7.150 1.00 0.00 C ATOM 820 C GLY C 55 0.154 3.073 -6.401 1.00 0.00 C ATOM 821 O GLY C 55 -0.163 1.914 -6.130 1.00 0.00 O ATOM 0 H GLY C 55 2.184 1.489 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.853 4.313 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.184 3.595 -8.192 1.00 0.00 H new ATOM 825 N ILE C 56 -0.568 4.135 -6.050 1.00 0.00 N ATOM 826 CA ILE C 56 -1.887 4.027 -5.421 1.00 0.00 C ATOM 827 C ILE C 56 -2.974 4.590 -6.330 1.00 0.00 C ATOM 828 O ILE C 56 -2.835 5.692 -6.858 1.00 0.00 O ATOM 829 CB ILE C 56 -1.964 4.796 -4.079 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.135 4.127 -2.997 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.408 4.905 -3.602 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.362 4.253 -3.168 1.00 0.00 C ATOM 0 H ILE C 56 -0.257 5.096 -6.193 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.043 2.963 -5.241 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.560 5.792 -4.262 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.412 4.553 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.394 3.069 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.439 5.449 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.998 5.438 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.820 3.906 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.866 3.744 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.660 3.800 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.641 5.307 -3.167 1.00 0.00 H new ATOM 844 N PHE C 57 -4.061 3.842 -6.482 1.00 0.00 N ATOM 845 CA PHE C 57 -5.209 4.299 -7.253 1.00 0.00 C ATOM 846 C PHE C 57 -6.493 4.107 -6.449 1.00 0.00 C ATOM 847 O PHE C 57 -6.873 2.982 -6.145 1.00 0.00 O ATOM 848 CB PHE C 57 -5.340 3.517 -8.568 1.00 0.00 C ATOM 849 CG PHE C 57 -4.035 3.065 -9.152 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.344 3.861 -10.046 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.502 1.832 -8.806 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.147 3.439 -10.584 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.306 1.406 -9.340 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.628 2.211 -10.229 1.00 0.00 C ATOM 0 H PHE C 57 -4.170 2.912 -6.079 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.055 5.355 -7.475 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.969 2.644 -8.396 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.854 4.142 -9.298 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.746 4.824 -10.326 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.031 1.198 -8.110 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.616 4.069 -11.282 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.901 0.444 -9.063 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.689 1.880 -10.648 1.00 0.00 H new ATOM 864 N VAL C 58 -7.161 5.190 -6.096 1.00 0.00 N ATOM 865 CA VAL C 58 -8.476 5.075 -5.484 1.00 0.00 C ATOM 866 C VAL C 58 -9.532 5.448 -6.514 1.00 0.00 C ATOM 867 O VAL C 58 -9.440 6.497 -7.152 1.00 0.00 O ATOM 868 CB VAL C 58 -8.631 5.937 -4.203 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.524 7.419 -4.504 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.952 5.642 -3.517 1.00 0.00 C ATOM 0 H VAL C 58 -6.824 6.145 -6.219 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.605 4.041 -5.164 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.812 5.671 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.638 7.987 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.549 7.632 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.308 7.705 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -10.042 6.256 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.774 5.869 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.991 4.588 -3.240 1.00 0.00 H new ATOM 880 N ASN C 59 -10.500 4.559 -6.714 1.00 0.00 N ATOM 881 CA ASN C 59 -11.524 4.745 -7.750 1.00 0.00 C ATOM 882 C ASN C 59 -10.885 4.833 -9.135 1.00 0.00 C ATOM 883 O ASN C 59 -11.449 5.426 -10.053 1.00 0.00 O ATOM 884 CB ASN C 59 -12.356 6.009 -7.489 1.00 0.00 C ATOM 885 CG ASN C 59 -13.195 5.917 -6.233 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.857 5.199 -5.296 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.292 6.658 -6.202 1.00 0.00 N ATOM 0 H ASN C 59 -10.601 3.700 -6.174 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.184 3.878 -7.714 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.688 6.867 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.009 6.190 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.892 6.646 -5.378 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.536 7.241 -7.003 1.00 0.00 H new ATOM 894 N GLY C 60 -9.701 4.246 -9.273 1.00 0.00 N ATOM 895 CA GLY C 60 -8.989 4.291 -10.536 1.00 0.00 C ATOM 896 C GLY C 60 -8.184 5.568 -10.706 1.00 0.00 C ATOM 897 O GLY C 60 -7.655 5.840 -11.785 1.00 0.00 O ATOM 0 H GLY C 60 -9.221 3.738 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.321 3.433 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.703 4.204 -11.355 1.00 0.00 H new ATOM 901 N GLU C 61 -8.088 6.354 -9.642 1.00 0.00 N ATOM 902 CA GLU C 61 -7.342 7.603 -9.678 1.00 0.00 C ATOM 903 C GLU C 61 -6.047 7.472 -8.887 1.00 0.00 C ATOM 904 O GLU C 61 -6.062 7.177 -7.691 1.00 0.00 O ATOM 905 CB GLU C 61 -8.189 8.740 -9.103 1.00 0.00 C ATOM 906 CG GLU C 61 -7.504 10.095 -9.139 1.00 0.00 C ATOM 907 CD GLU C 61 -7.206 10.562 -10.551 1.00 0.00 C ATOM 908 OE1 GLU C 61 -8.126 11.079 -11.215 1.00 0.00 O ATOM 909 OE2 GLU C 61 -6.051 10.415 -11.006 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.519 6.147 -8.741 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.098 7.830 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.124 8.801 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.448 8.502 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.137 10.831 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -6.573 10.042 -8.574 1.00 0.00 H new ATOM 916 N LYS C 62 -4.930 7.685 -9.565 1.00 0.00 N ATOM 917 CA LYS C 62 -3.620 7.593 -8.939 1.00 0.00 C ATOM 918 C LYS C 62 -3.386 8.788 -8.018 1.00 0.00 C ATOM 919 O LYS C 62 -3.280 9.925 -8.481 1.00 0.00 O ATOM 920 CB LYS C 62 -2.539 7.533 -10.020 1.00 0.00 C ATOM 921 CG LYS C 62 -1.136 7.306 -9.481 1.00 0.00 C ATOM 922 CD LYS C 62 -0.117 7.201 -10.607 1.00 0.00 C ATOM 923 CE LYS C 62 0.043 8.517 -11.352 1.00 0.00 C ATOM 924 NZ LYS C 62 1.001 8.401 -12.479 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.905 7.925 -10.556 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.574 6.685 -8.338 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.782 6.732 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.553 8.465 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -0.863 8.126 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.117 6.393 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.846 6.896 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.427 6.424 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -0.927 8.840 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.387 9.286 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.082 9.319 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.933 8.118 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.660 7.685 -13.152 1.00 0.00 H new ATOM 938 N VAL C 63 -3.320 8.536 -6.715 1.00 0.00 N ATOM 939 CA VAL C 63 -3.164 9.618 -5.746 1.00 0.00 C ATOM 940 C VAL C 63 -1.716 9.748 -5.277 1.00 0.00 C ATOM 941 O VAL C 63 -1.274 10.835 -4.911 1.00 0.00 O ATOM 942 CB VAL C 63 -4.084 9.441 -4.514 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.510 9.164 -4.945 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.582 8.340 -3.597 1.00 0.00 C ATOM 0 H VAL C 63 -3.371 7.602 -6.307 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.456 10.530 -6.267 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.065 10.375 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -6.140 9.043 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -5.878 9.998 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.539 8.251 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.252 8.244 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.552 7.397 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.580 8.587 -3.246 1.00 0.00 H new ATOM 954 N TYR C 64 -0.983 8.642 -5.277 1.00 0.00 N ATOM 955 CA TYR C 64 0.399 8.662 -4.831 1.00 0.00 C ATOM 956 C TYR C 64 1.210 7.616 -5.583 1.00 0.00 C ATOM 957 O TYR C 64 0.766 6.482 -5.751 1.00 0.00 O ATOM 958 CB TYR C 64 0.458 8.409 -3.321 1.00 0.00 C ATOM 959 CG TYR C 64 1.816 8.647 -2.699 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.694 7.597 -2.476 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.214 9.924 -2.325 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.928 7.810 -1.896 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.450 10.146 -1.747 1.00 0.00 C ATOM 964 CZ TYR C 64 4.303 9.085 -1.534 1.00 0.00 C ATOM 965 OH TYR C 64 5.537 9.299 -0.956 1.00 0.00 O ATOM 0 H TYR C 64 -1.321 7.728 -5.579 1.00 0.00 H new ATOM 0 HA TYR C 64 0.829 9.642 -5.040 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.271 9.052 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.158 7.379 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.407 6.596 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR C 64 1.547 10.757 -2.488 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.598 6.980 -1.726 1.00 0.00 H new ATOM 0 HE2 TYR C 64 3.745 11.146 -1.464 1.00 0.00 H new ATOM 0 HH TYR C 64 5.646 10.253 -0.762 1.00 0.00 H new ATOM 975 N THR C 65 2.383 8.008 -6.052 1.00 0.00 N ATOM 976 CA THR C 65 3.277 7.099 -6.754 1.00 0.00 C ATOM 977 C THR C 65 4.633 7.080 -6.043 1.00 0.00 C ATOM 978 O THR C 65 5.043 8.103 -5.486 1.00 0.00 O ATOM 979 CB THR C 65 3.472 7.560 -8.214 1.00 0.00 C ATOM 980 OG1 THR C 65 2.213 7.950 -8.769 1.00 0.00 O ATOM 981 CG2 THR C 65 4.086 6.466 -9.069 1.00 0.00 C ATOM 0 H THR C 65 2.742 8.958 -5.958 1.00 0.00 H new ATOM 0 HA THR C 65 2.841 6.100 -6.755 1.00 0.00 H new ATOM 0 HB THR C 65 4.156 8.408 -8.208 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.341 8.244 -9.695 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.208 6.828 -10.090 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.059 6.190 -8.663 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.432 5.594 -9.069 1.00 0.00 H new ATOM 989 N PHE C 66 5.329 5.945 -6.045 1.00 0.00 N ATOM 990 CA PHE C 66 6.627 5.872 -5.370 1.00 0.00 C ATOM 991 C PHE C 66 7.450 4.684 -5.852 1.00 0.00 C ATOM 992 O PHE C 66 7.063 3.982 -6.783 1.00 0.00 O ATOM 993 CB PHE C 66 6.447 5.813 -3.844 1.00 0.00 C ATOM 994 CG PHE C 66 5.768 4.573 -3.313 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.388 4.508 -3.197 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.522 3.487 -2.892 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.772 3.383 -2.673 1.00 0.00 C ATOM 998 CE2 PHE C 66 5.913 2.359 -2.376 1.00 0.00 C ATOM 999 CZ PHE C 66 4.538 2.309 -2.264 1.00 0.00 C ATOM 0 H PHE C 66 5.027 5.081 -6.495 1.00 0.00 H new ATOM 0 HA PHE C 66 7.174 6.780 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.429 5.896 -3.377 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.870 6.683 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.786 5.345 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.599 3.524 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.696 3.346 -2.585 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.512 1.518 -2.061 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.061 1.430 -1.856 1.00 0.00 H new ATOM 1009 N ASN C 67 8.602 4.487 -5.219 1.00 0.00 N ATOM 1010 CA ASN C 67 9.487 3.379 -5.550 1.00 0.00 C ATOM 1011 C ASN C 67 9.642 2.448 -4.355 1.00 0.00 C ATOM 1012 O ASN C 67 9.836 2.890 -3.222 1.00 0.00 O ATOM 1013 CB ASN C 67 10.854 3.899 -5.998 1.00 0.00 C ATOM 1014 CG ASN C 67 10.810 4.534 -7.374 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.009 4.151 -8.225 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.672 5.509 -7.601 1.00 0.00 N ATOM 0 H ASN C 67 8.945 5.086 -4.468 1.00 0.00 H new ATOM 0 HA ASN C 67 9.043 2.819 -6.373 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.216 4.630 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.568 3.076 -6.004 1.00 0.00 H new ATOM 0 HD21 ASN C 67 11.689 5.973 -8.509 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.320 5.797 -6.868 1.00 0.00 H new ATOM 1023 N GLU C 68 9.562 1.156 -4.642 1.00 0.00 N ATOM 1024 CA GLU C 68 9.497 0.104 -3.641 1.00 0.00 C ATOM 1025 C GLU C 68 10.749 0.041 -2.770 1.00 0.00 C ATOM 1026 O GLU C 68 10.669 -0.257 -1.581 1.00 0.00 O ATOM 1027 CB GLU C 68 9.324 -1.214 -4.383 1.00 0.00 C ATOM 1028 CG GLU C 68 8.663 -2.307 -3.588 1.00 0.00 C ATOM 1029 CD GLU C 68 8.232 -3.492 -4.427 1.00 0.00 C ATOM 1030 OE1 GLU C 68 9.073 -4.380 -4.684 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.048 -3.554 -4.810 1.00 0.00 O1- ATOM 0 H GLU C 68 9.540 0.804 -5.599 1.00 0.00 H new ATOM 0 HA GLU C 68 8.663 0.307 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU C 68 8.736 -1.033 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.304 -1.563 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU C 68 9.352 -2.650 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.791 -1.897 -3.078 1.00 0.00 H new ATOM 1038 N LYS C 69 11.900 0.329 -3.362 1.00 0.00 N ATOM 1039 CA LYS C 69 13.180 0.145 -2.681 1.00 0.00 C ATOM 1040 C LYS C 69 13.483 1.285 -1.715 1.00 0.00 C ATOM 1041 O LYS C 69 14.540 1.302 -1.079 1.00 0.00 O ATOM 1042 CB LYS C 69 14.303 0.025 -3.704 1.00 0.00 C ATOM 1043 CG LYS C 69 14.470 1.266 -4.552 1.00 0.00 C ATOM 1044 CD LYS C 69 15.475 1.039 -5.667 1.00 0.00 C ATOM 1045 CE LYS C 69 15.656 2.277 -6.525 1.00 0.00 C ATOM 1046 NZ LYS C 69 16.211 3.416 -5.750 1.00 0.00 N1+ ATOM 0 H LYS C 69 11.977 0.691 -4.312 1.00 0.00 H new ATOM 0 HA LYS C 69 13.111 -0.774 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.239 -0.181 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.105 -0.827 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.508 1.550 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.799 2.096 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS C 69 16.435 0.751 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.143 0.210 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS C 69 16.321 2.047 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS C 69 14.696 2.564 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 16.492 4.175 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 15.488 3.774 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.041 3.097 -5.211 1.00 0.00 H new ATOM 1060 N SER C 70 12.565 2.230 -1.606 1.00 0.00 N ATOM 1061 CA SER C 70 12.727 3.332 -0.678 1.00 0.00 C ATOM 1062 C SER C 70 12.485 2.844 0.751 1.00 0.00 C ATOM 1063 O SER C 70 12.366 1.639 0.988 1.00 0.00 O ATOM 1064 CB SER C 70 11.752 4.457 -1.032 1.00 0.00 C ATOM 1065 OG SER C 70 11.898 4.847 -2.387 1.00 0.00 O ATOM 0 H SER C 70 11.702 2.255 -2.148 1.00 0.00 H new ATOM 0 HA SER C 70 13.744 3.718 -0.749 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.729 4.126 -0.853 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.928 5.314 -0.382 1.00 0.00 H new ATOM 0 HG SER C 70 11.277 4.333 -2.944 1.00 0.00 H new ATOM 1071 N THR C 71 12.406 3.755 1.707 1.00 0.00 N ATOM 1072 CA THR C 71 12.098 3.369 3.055 1.00 0.00 C ATOM 1073 C THR C 71 10.599 3.199 3.166 1.00 0.00 C ATOM 1074 O THR C 71 9.842 4.173 3.119 1.00 0.00 O ATOM 1075 CB THR C 71 12.603 4.405 4.081 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.150 5.716 3.726 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.121 4.400 4.156 1.00 0.00 C ATOM 0 H THR C 71 12.551 4.755 1.567 1.00 0.00 H new ATOM 0 HA THR C 71 12.606 2.432 3.282 1.00 0.00 H new ATOM 0 HB THR C 71 12.202 4.133 5.057 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.475 6.364 4.385 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.452 5.139 4.886 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.467 3.411 4.458 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.534 4.646 3.178 1.00 0.00 H new ATOM 1085 N VAL C 72 10.170 1.956 3.282 1.00 0.00 N ATOM 1086 CA VAL C 72 8.759 1.631 3.288 1.00 0.00 C ATOM 1087 C VAL C 72 8.067 2.321 4.458 1.00 0.00 C ATOM 1088 O VAL C 72 6.857 2.490 4.463 1.00 0.00 O ATOM 1089 CB VAL C 72 8.529 0.095 3.354 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.124 -0.274 2.918 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.551 -0.642 2.496 1.00 0.00 C ATOM 0 H VAL C 72 10.787 1.149 3.374 1.00 0.00 H new ATOM 0 HA VAL C 72 8.327 1.991 2.354 1.00 0.00 H new ATOM 0 HB VAL C 72 8.655 -0.209 4.393 1.00 0.00 H new ATOM 0 HG11 VAL C 72 6.997 -1.355 2.976 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.400 0.212 3.573 1.00 0.00 H new ATOM 0 HG13 VAL C 72 6.963 0.055 1.891 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.371 -1.715 2.557 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.458 -0.317 1.460 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.556 -0.421 2.857 1.00 0.00 H new ATOM 1101 N GLY C 73 8.853 2.776 5.421 1.00 0.00 N ATOM 1102 CA GLY C 73 8.286 3.444 6.577 1.00 0.00 C ATOM 1103 C GLY C 73 7.946 4.881 6.287 1.00 0.00 C ATOM 1104 O GLY C 73 6.890 5.369 6.698 1.00 0.00 O ATOM 0 H GLY C 73 9.870 2.696 5.425 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.387 2.916 6.896 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.993 3.399 7.405 1.00 0.00 H new ATOM 1108 N ASN C 74 8.819 5.561 5.555 1.00 0.00 N ATOM 1109 CA ASN C 74 8.539 6.925 5.149 1.00 0.00 C ATOM 1110 C ASN C 74 7.369 6.932 4.184 1.00 0.00 C ATOM 1111 O ASN C 74 6.556 7.850 4.183 1.00 0.00 O ATOM 1112 CB ASN C 74 9.760 7.580 4.498 1.00 0.00 C ATOM 1113 CG ASN C 74 10.756 8.130 5.506 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.904 7.466 6.641 1.00 0.00 O flip ATOM 1115 ND2 ASN C 74 11.405 9.144 5.254 1.00 0.00 N flip ATOM 0 H ASN C 74 9.715 5.193 5.235 1.00 0.00 H new ATOM 0 HA ASN C 74 8.290 7.503 6.039 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.261 6.849 3.864 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.426 8.389 3.848 1.00 0.00 H new ATOM 0 HD21 ASN C 74 11.266 9.632 4.369 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.082 9.497 5.930 1.00 0.00 H new ATOM 1122 N ILE C 75 7.273 5.881 3.382 1.00 0.00 N ATOM 1123 CA ILE C 75 6.210 5.778 2.399 1.00 0.00 C ATOM 1124 C ILE C 75 4.883 5.406 3.051 1.00 0.00 C ATOM 1125 O ILE C 75 3.921 6.169 2.984 1.00 0.00 O ATOM 1126 CB ILE C 75 6.523 4.726 1.320 1.00 0.00 C ATOM 1127 CG1 ILE C 75 7.923 4.940 0.731 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.468 4.786 0.231 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.103 6.271 0.034 1.00 0.00 C ATOM 0 H ILE C 75 7.918 5.091 3.394 1.00 0.00 H new ATOM 0 HA ILE C 75 6.135 6.762 1.935 1.00 0.00 H new ATOM 0 HB ILE C 75 6.507 3.738 1.779 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.659 4.859 1.531 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.134 4.139 0.022 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.691 4.041 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.488 4.582 0.662 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.467 5.778 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.119 6.344 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.393 6.349 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.927 7.080 0.743 1.00 0.00 H new ATOM 1141 N SER C 76 4.845 4.235 3.686 1.00 0.00 N ATOM 1142 CA SER C 76 3.596 3.670 4.191 1.00 0.00 C ATOM 1143 C SER C 76 2.858 4.621 5.098 1.00 0.00 C ATOM 1144 O SER C 76 1.682 4.894 4.896 1.00 0.00 O ATOM 1145 CB SER C 76 3.848 2.364 4.932 1.00 0.00 C ATOM 1146 OG SER C 76 4.570 1.459 4.124 1.00 0.00 O ATOM 0 H SER C 76 5.668 3.659 3.863 1.00 0.00 H new ATOM 0 HA SER C 76 2.972 3.482 3.317 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.403 2.562 5.849 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.898 1.918 5.225 1.00 0.00 H new ATOM 0 HG SER C 76 5.431 1.856 3.877 1.00 0.00 H new ATOM 1152 N ASN C 77 3.533 5.137 6.091 1.00 0.00 N ATOM 1153 CA ASN C 77 2.856 5.997 7.049 1.00 0.00 C ATOM 1154 C ASN C 77 2.585 7.395 6.496 1.00 0.00 C ATOM 1155 O ASN C 77 1.762 8.124 7.051 1.00 0.00 O ATOM 1156 CB ASN C 77 3.568 6.045 8.395 1.00 0.00 C ATOM 1157 CG ASN C 77 3.144 4.894 9.299 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.864 4.530 9.238 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.949 4.358 10.062 1.00 0.00 N flip ATOM 0 H ASN C 77 4.527 4.987 6.263 1.00 0.00 H new ATOM 0 HA ASN C 77 1.883 5.539 7.226 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.646 6.006 8.238 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.352 6.993 8.887 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.921 4.667 10.077 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.644 3.605 10.679 1.00 0.00 H new ATOM 1166 N ASP C 78 3.246 7.777 5.404 1.00 0.00 N ATOM 1167 CA ASP C 78 2.824 8.971 4.668 1.00 0.00 C ATOM 1168 C ASP C 78 1.463 8.717 4.065 1.00 0.00 C ATOM 1169 O ASP C 78 0.615 9.604 4.023 1.00 0.00 O ATOM 1170 CB ASP C 78 3.791 9.340 3.552 1.00 0.00 C ATOM 1171 CG ASP C 78 4.671 10.519 3.910 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.404 10.447 4.916 1.00 0.00 O ATOM 1173 OD2 ASP C 78 4.632 11.528 3.177 1.00 0.00 O1- ATOM 0 H ASP C 78 4.055 7.293 5.016 1.00 0.00 H new ATOM 0 HA ASP C 78 2.799 9.801 5.374 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.419 8.480 3.321 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.226 9.574 2.649 1.00 0.00 H new ATOM 1178 N ILE C 79 1.267 7.479 3.614 1.00 0.00 N ATOM 1179 CA ILE C 79 -0.026 7.022 3.123 1.00 0.00 C ATOM 1180 C ILE C 79 -1.083 7.223 4.204 1.00 0.00 C ATOM 1181 O ILE C 79 -2.270 7.387 3.918 1.00 0.00 O ATOM 1182 CB ILE C 79 0.011 5.523 2.731 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.177 5.223 1.782 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.303 5.092 2.102 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.118 5.966 0.467 1.00 0.00 C ATOM 0 H ILE C 79 1.999 6.769 3.580 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.271 7.606 2.236 1.00 0.00 H new ATOM 0 HB ILE C 79 0.161 4.951 3.646 1.00 0.00 H new ATOM 0 HG12 ILE C 79 2.112 5.472 2.284 1.00 0.00 H new ATOM 0 HG13 ILE C 79 1.199 4.152 1.580 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.250 4.036 1.836 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -2.115 5.247 2.813 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.488 5.683 1.205 1.00 0.00 H new ATOM 0 HD11 ILE C 79 1.980 5.695 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE C 79 0.202 5.700 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE C 79 1.129 7.040 0.655 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.637 7.240 5.456 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.555 7.401 6.568 1.00 0.00 C ATOM 1199 C ASN C 80 -1.878 8.859 6.778 1.00 0.00 C ATOM 1200 O ASN C 80 -3.010 9.192 7.093 1.00 0.00 O ATOM 1201 CB ASN C 80 -1.021 6.830 7.891 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.706 5.348 7.868 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.908 4.648 8.855 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.159 4.865 6.771 1.00 0.00 N ATOM 0 H ASN C 80 0.344 7.145 5.720 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.447 6.837 6.296 1.00 0.00 H new ATOM 0 HB2 ASN C 80 -0.117 7.374 8.166 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.756 7.018 8.673 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.110 3.882 6.725 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.005 5.474 5.967 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.885 9.725 6.610 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.113 11.160 6.700 1.00 0.00 C ATOM 1213 C LYS C 81 -2.294 11.533 5.819 1.00 0.00 C ATOM 1214 O LYS C 81 -3.199 12.254 6.233 1.00 0.00 O ATOM 1215 CB LYS C 81 0.137 11.929 6.261 1.00 0.00 C ATOM 1216 CG LYS C 81 1.347 11.691 7.151 1.00 0.00 C ATOM 1217 CD LYS C 81 2.593 12.375 6.604 1.00 0.00 C ATOM 1218 CE LYS C 81 2.396 13.875 6.461 1.00 0.00 C ATOM 1219 NZ LYS C 81 3.625 14.551 5.969 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.080 9.459 6.412 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.331 11.426 7.734 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.387 11.644 5.239 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.089 12.995 6.248 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.139 12.062 8.154 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.529 10.620 7.239 1.00 0.00 H new ATOM 0 HD2 LYS C 81 3.435 12.181 7.268 1.00 0.00 H new ATOM 0 HD3 LYS C 81 2.846 11.947 5.634 1.00 0.00 H new ATOM 0 HE2 LYS C 81 1.574 14.069 5.772 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.110 14.297 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.449 15.573 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.403 14.387 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 3.884 14.167 5.038 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.297 10.965 4.624 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.359 11.173 3.651 1.00 0.00 C ATOM 1235 C LEU C 82 -4.725 10.859 4.264 1.00 0.00 C ATOM 1236 O LEU C 82 -5.704 11.554 3.991 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.139 10.251 2.446 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.677 9.952 2.086 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.619 9.052 0.860 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.909 11.242 1.826 1.00 0.00 C ATOM 0 H LEU C 82 -1.558 10.342 4.299 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.337 12.217 3.339 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.645 9.305 2.640 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.622 10.699 1.578 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.211 9.441 2.928 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.579 8.844 0.610 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.136 8.116 1.071 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.101 9.551 0.019 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.124 11.005 1.573 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.371 11.780 0.999 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.930 11.865 2.720 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.749 9.842 5.130 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.993 9.250 5.642 1.00 0.00 C ATOM 1254 C ASN C 83 -7.045 9.184 4.544 1.00 0.00 C ATOM 1255 O ASN C 83 -7.963 10.009 4.476 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.505 9.990 6.881 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.308 9.177 8.158 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.228 8.394 8.230 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -7.113 9.260 9.086 1.00 0.00 N flip ATOM 0 H ASN C 83 -3.905 9.403 5.498 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.776 8.229 5.958 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.984 10.943 6.975 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.564 10.216 6.756 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -7.928 9.867 9.001 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -6.964 8.722 9.940 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.885 8.192 3.679 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.659 8.099 2.451 1.00 0.00 C ATOM 1268 C ILE C 84 -9.124 7.819 2.704 1.00 0.00 C ATOM 1269 O ILE C 84 -9.486 6.912 3.447 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.135 6.990 1.534 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.615 7.018 1.487 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.716 7.150 0.131 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.029 5.973 0.563 1.00 0.00 C ATOM 0 H ILE C 84 -6.217 7.432 3.809 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.550 9.074 1.975 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.450 6.026 1.933 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.286 8.006 1.164 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.224 6.865 2.493 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.337 6.356 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.803 7.090 0.178 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.423 8.118 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.941 6.046 0.575 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.330 4.981 0.899 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.393 6.139 -0.451 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.949 8.593 2.042 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.375 8.364 2.034 1.00 0.00 C ATOM 1287 C LYS C 85 -11.751 7.753 0.692 1.00 0.00 C ATOM 1288 O LYS C 85 -11.385 8.278 -0.362 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.133 9.673 2.273 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.843 10.756 1.226 1.00 0.00 C ATOM 1291 CD LYS C 85 -11.244 12.008 1.852 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.849 11.752 2.405 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.228 12.985 2.952 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.652 9.400 1.493 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.649 7.681 2.838 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.203 9.466 2.281 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.875 10.057 3.260 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -11.157 10.361 0.477 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.766 11.016 0.708 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -11.199 12.801 1.106 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -11.894 12.360 2.653 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.904 10.996 3.189 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -9.216 11.348 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -8.280 12.763 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -9.151 13.698 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.818 13.358 3.723 1.00 0.00 H new ATOM 1307 N GLY C 86 -12.437 6.631 0.722 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.737 5.948 -0.509 1.00 0.00 C ATOM 1309 C GLY C 86 -13.516 4.667 -0.291 1.00 0.00 C ATOM 1310 O GLY C 86 -13.583 4.164 0.832 1.00 0.00 O ATOM 0 H GLY C 86 -12.789 6.183 1.568 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.310 6.611 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.807 5.719 -1.029 1.00 0.00 H new ATOM 1314 N PRO C 87 -14.149 4.136 -1.346 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.866 2.859 -1.290 1.00 0.00 C ATOM 1316 C PRO C 87 -13.928 1.669 -1.437 1.00 0.00 C ATOM 1317 O PRO C 87 -14.136 0.623 -0.826 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.785 2.946 -2.501 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.977 3.710 -3.485 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.255 4.758 -2.681 1.00 0.00 C ATOM 0 HA PRO C 87 -15.379 2.709 -0.340 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -16.050 1.958 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.718 3.457 -2.263 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.273 3.060 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.611 4.166 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.275 4.984 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.811 5.695 -2.647 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.898 1.838 -2.259 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.935 0.785 -2.502 1.00 0.00 C ATOM 1330 C TYR C 88 -10.622 1.409 -2.951 1.00 0.00 C ATOM 1331 O TYR C 88 -10.618 2.379 -3.723 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.458 -0.217 -3.546 1.00 0.00 C ATOM 1333 CG TYR C 88 -12.462 0.311 -4.967 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -13.522 1.070 -5.444 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -11.398 0.061 -5.826 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -13.523 1.564 -6.733 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -11.392 0.550 -7.117 1.00 0.00 C ATOM 1338 CZ TYR C 88 -12.456 1.302 -7.565 1.00 0.00 C ATOM 1339 OH TYR C 88 -12.451 1.798 -8.847 1.00 0.00 O ATOM 0 H TYR C 88 -12.713 2.702 -2.768 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.772 0.228 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.846 -1.118 -3.507 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.473 -0.509 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -14.360 1.278 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -10.561 -0.526 -5.477 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -14.356 2.153 -7.088 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -10.558 0.344 -7.772 1.00 0.00 H new ATOM 0 HH TYR C 88 -11.627 1.524 -9.301 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.513 0.876 -2.467 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.219 1.477 -2.727 1.00 0.00 C ATOM 1351 C ILE C 89 -7.250 0.476 -3.327 1.00 0.00 C ATOM 1352 O ILE C 89 -7.009 -0.597 -2.771 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.611 2.081 -1.447 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.586 3.087 -0.847 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.279 2.754 -1.756 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.098 3.718 0.438 1.00 0.00 C ATOM 0 H ILE C 89 -9.484 0.032 -1.895 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.385 2.277 -3.448 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.431 1.283 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.777 3.873 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.537 2.589 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.863 3.175 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.586 2.019 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.434 3.550 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.845 4.422 0.804 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -7.934 2.942 1.185 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.163 4.246 0.252 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.696 0.846 -4.464 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.747 0.014 -5.166 1.00 0.00 C ATOM 1370 C GLU C 90 -4.327 0.435 -4.843 1.00 0.00 C ATOM 1371 O GLU C 90 -3.813 1.399 -5.406 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.983 0.133 -6.663 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.347 -0.375 -7.094 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.473 -1.882 -6.964 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.103 -2.598 -7.921 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.930 -2.361 -5.911 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.893 1.734 -4.926 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.885 -1.020 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.881 1.177 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.210 -0.425 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.117 0.104 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.528 -0.086 -8.129 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.698 -0.277 -3.935 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.311 -0.018 -3.613 1.00 0.00 C ATOM 1385 C ILE C 91 -1.459 -1.196 -4.075 1.00 0.00 C ATOM 1386 O ILE C 91 -1.399 -2.230 -3.412 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.120 0.256 -2.098 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -3.032 1.406 -1.654 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -0.670 0.583 -1.773 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.569 2.114 -0.394 1.00 0.00 C ATOM 0 H ILE C 91 -4.123 -1.039 -3.407 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.989 0.882 -4.137 1.00 0.00 H new ATOM 0 HB ILE C 91 -2.390 -0.649 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -3.100 2.134 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -4.037 1.016 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -0.570 0.770 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -0.035 -0.257 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.364 1.471 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -3.268 2.913 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.528 1.401 0.430 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.578 2.537 -0.557 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.821 -1.032 -5.235 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.009 -2.085 -5.843 1.00 0.00 C ATOM 1404 C LYS C 92 0.927 -1.455 -6.861 1.00 0.00 C ATOM 1405 O LYS C 92 0.649 -0.375 -7.377 1.00 0.00 O ATOM 1406 CB LYS C 92 -0.872 -3.148 -6.535 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.588 -2.650 -7.785 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.850 -1.871 -7.453 1.00 0.00 C ATOM 1409 CE LYS C 92 -3.903 -2.760 -6.808 1.00 0.00 C ATOM 1410 NZ LYS C 92 -4.344 -3.850 -7.712 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.853 -0.169 -5.777 1.00 0.00 H new ATOM 0 HA LYS C 92 0.554 -2.581 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.241 -3.995 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.614 -3.516 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -0.913 -2.016 -8.360 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -1.844 -3.500 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.605 -1.049 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -3.255 -1.428 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -3.501 -3.191 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -4.764 -2.154 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -5.382 -3.848 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -3.938 -3.702 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.022 -4.765 -7.336 1.00 0.00 H new ATOM 1424 N GLN C 93 2.031 -2.116 -7.155 1.00 0.00 N ATOM 1425 CA GLN C 93 2.989 -1.556 -8.088 1.00 0.00 C ATOM 1426 C GLN C 93 2.563 -1.815 -9.527 1.00 0.00 C ATOM 1427 O GLN C 93 1.697 -2.649 -9.793 1.00 0.00 O ATOM 1428 CB GLN C 93 4.409 -2.054 -7.796 1.00 0.00 C ATOM 1429 CG GLN C 93 4.554 -3.565 -7.707 1.00 0.00 C ATOM 1430 CD GLN C 93 4.867 -4.207 -9.044 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.614 -3.505 -9.884 1.00 0.00 O flip ATOM 1432 NE2 GLN C 93 4.461 -5.339 -9.313 1.00 0.00 N flip ATOM 0 H GLN C 93 2.284 -3.026 -6.769 1.00 0.00 H new ATOM 0 HA GLN C 93 3.006 -0.475 -7.952 1.00 0.00 H new ATOM 0 HB2 GLN C 93 5.075 -1.685 -8.576 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.746 -1.616 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN C 93 5.346 -3.808 -6.999 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.632 -3.991 -7.312 1.00 0.00 H new ATOM 0 HE21 GLN C 93 3.888 -5.848 -8.640 1.00 0.00 H new ATOM 0 HE22 GLN C 93 4.698 -5.766 -10.208 1.00 0.00 H new ATOM 1441 N ILE C 94 3.180 -1.093 -10.444 1.00 0.00 N ATOM 1442 CA ILE C 94 2.691 -0.992 -11.809 1.00 0.00 C ATOM 1443 C ILE C 94 3.649 -1.627 -12.811 1.00 0.00 C ATOM 1444 O ILE C 94 4.075 -0.937 -13.755 1.00 0.00 O ATOM 1445 CB ILE C 94 2.456 0.495 -12.153 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.627 1.350 -11.627 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.136 0.957 -11.568 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.276 2.790 -11.306 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.988 -2.815 -12.638 1.00 0.00 O ATOM 0 H ILE C 94 4.032 -0.561 -10.266 1.00 0.00 H new ATOM 0 HA ILE C 94 1.753 -1.543 -11.877 1.00 0.00 H new ATOM 0 HB ILE C 94 2.410 0.613 -13.236 1.00 0.00 H new ATOM 0 HG12 ILE C 94 4.025 0.880 -10.728 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.424 1.343 -12.370 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.976 2.007 -11.814 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.325 0.359 -11.984 1.00 0.00 H new ATOM 0 HG23 ILE C 94 1.156 0.838 -10.485 1.00 0.00 H new ATOM 0 HD11 ILE C 94 4.164 3.309 -10.944 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.909 3.284 -12.205 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.503 2.814 -10.538 1.00 0.00 H new TER 1461 ILE C 94