USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 732 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: B 64 TYR OH : rot 168:sc= -0.336 USER MOD Set 1.2: B 76 SER OG : rot 85:sc= 2.27 USER MOD Set 2.1: B 62 LYS NZ :NH3+ 160:sc= 1.24 (180deg=-0.174) USER MOD Set 2.2: B 65 THR OG1 : rot 121:sc= 0.0699 USER MOD Set 3.1: B 53 ASN : amide:sc= -0.551 K(o=-5.9,f=-6.7) USER MOD Set 3.2: B 67 ASN :FLIP amide:sc= -5.32! C(o=-6.4!,f=-5.9!) USER MOD Set 4.1: B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: B 74 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Set 5.1: B 32 ASN : amide:sc= -0.409 K(o=-1.1,f=-6.5!) USER MOD Set 5.2: B 35 GLN : amide:sc= -0.667 K(o=-1.1,f=-4.5!) USER MOD Set 6.1: B 3 GLN : amide:sc= -0.408 K(o=-7,f=-7.9) USER MOD Set 6.2: B 9 GLN : amide:sc= -3.28! C(o=-7!,f=-8!) USER MOD Set 6.3: B 14 ASN : amide:sc= -3.13! C(o=-7!,f=-7.9!) USER MOD Set 6.4: B 31 MET CE :methyl -151:sc= -0.149 (180deg=-0.723) USER MOD Single : B 1 ASP N :NH3+ 156:sc= 0.879 (180deg=0.479) USER MOD Single : B 2 ASN : amide:sc= -0.293 K(o=-0.29,f=-4.8!) USER MOD Single : B 4 LYS NZ :NH3+ -169:sc= -0.0383 (180deg=-0.18) USER MOD Single : B 10 MET CE :methyl -170:sc= -0.475 (180deg=-0.743) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN :FLIP amide:sc= -1.16 F(o=-4.3!,f=-1.2) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -1.86! C(o=-1.9!,f=-9.3!) USER MOD Single : B 22 LYS NZ :NH3+ 171:sc= -0.0076 (180deg=-0.0847) USER MOD Single : B 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00502) USER MOD Single : B 26 LYS NZ :NH3+ -166:sc= -0.0314 (180deg=-0.234) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= -2.56! USER MOD Single : B 34 ASN : amide:sc= -0.0761 X(o=-0.076,f=-0.31) USER MOD Single : B 37 LYS NZ :NH3+ -173:sc=-0.00776 (180deg=-0.0826) USER MOD Single : B 39 THR OG1 : rot 180:sc=-0.00438 USER MOD Single : B 40 SER OG : rot 120:sc= -0.392 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 30:sc= -2.92! USER MOD Single : B 52 LYS NZ :NH3+ -121:sc= 0.574 (180deg=-0.047) USER MOD Single : B 59 ASN :FLIP amide:sc= -1.84 F(o=-3.2!,f=-1.8) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= -0.708 USER MOD Single : B 71 THR OG1 : rot -7:sc= 1.48 USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 80 ASN : amide:sc= 0.951 K(o=0.95,f=0) USER MOD Single : B 81 LYS NZ :NH3+ -156:sc= -0.615 (180deg=-1.78!) USER MOD Single : B 83 ASN :FLIP amide:sc= -0.193 F(o=-2.2!,f=-0.19) USER MOD Single : B 85 LYS NZ :NH3+ -163:sc= -0.0798 (180deg=-0.34) USER MOD Single : B 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN :FLIP amide:sc= -1.15! C(o=-3.9!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 13.264 -14.287 -2.231 1.00 0.00 N ATOM 2 CA ASP B 1 12.245 -13.623 -1.388 1.00 0.00 C ATOM 3 C ASP B 1 12.825 -13.316 -0.020 1.00 0.00 C ATOM 4 O ASP B 1 13.058 -14.224 0.778 1.00 0.00 O ATOM 5 CB ASP B 1 11.011 -14.515 -1.246 1.00 0.00 C ATOM 6 CG ASP B 1 10.346 -14.788 -2.576 1.00 0.00 C ATOM 7 OD1 ASP B 1 11.037 -15.254 -3.505 1.00 0.00 O1- ATOM 8 OD2 ASP B 1 9.133 -14.529 -2.706 1.00 0.00 O ATOM 0 H1 ASP B 1 12.792 -14.845 -2.971 1.00 0.00 H new ATOM 0 H2 ASP B 1 13.870 -13.568 -2.674 1.00 0.00 H new ATOM 0 H3 ASP B 1 13.846 -14.915 -1.641 1.00 0.00 H new ATOM 0 HA ASP B 1 11.948 -12.689 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP B 1 11.299 -15.460 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP B 1 10.296 -14.039 -0.575 1.00 0.00 H new ATOM 15 N ASN B 2 13.058 -12.041 0.248 1.00 0.00 N ATOM 16 CA ASN B 2 13.699 -11.629 1.486 1.00 0.00 C ATOM 17 C ASN B 2 13.220 -10.250 1.920 1.00 0.00 C ATOM 18 O ASN B 2 13.583 -9.238 1.323 1.00 0.00 O ATOM 19 CB ASN B 2 15.219 -11.616 1.311 1.00 0.00 C ATOM 20 CG ASN B 2 15.954 -11.229 2.580 1.00 0.00 C ATOM 21 OD1 ASN B 2 15.479 -11.471 3.686 1.00 0.00 O ATOM 22 ND2 ASN B 2 17.122 -10.629 2.425 1.00 0.00 N ATOM 0 H ASN B 2 12.812 -11.273 -0.376 1.00 0.00 H new ATOM 0 HA ASN B 2 13.428 -12.346 2.261 1.00 0.00 H new ATOM 0 HB2 ASN B 2 15.552 -12.603 0.991 1.00 0.00 H new ATOM 0 HB3 ASN B 2 15.483 -10.918 0.517 1.00 0.00 H new ATOM 0 HD21 ASN B 2 17.664 -10.349 3.242 1.00 0.00 H new ATOM 0 HD22 ASN B 2 17.481 -10.446 1.488 1.00 0.00 H new ATOM 29 N GLN B 3 12.386 -10.218 2.949 1.00 0.00 N ATOM 30 CA GLN B 3 11.925 -8.964 3.520 1.00 0.00 C ATOM 31 C GLN B 3 12.785 -8.573 4.718 1.00 0.00 C ATOM 32 O GLN B 3 12.566 -7.532 5.337 1.00 0.00 O ATOM 33 CB GLN B 3 10.467 -9.086 3.957 1.00 0.00 C ATOM 34 CG GLN B 3 10.274 -9.895 5.230 1.00 0.00 C ATOM 35 CD GLN B 3 8.864 -9.803 5.776 1.00 0.00 C ATOM 36 OE1 GLN B 3 7.898 -9.662 5.029 1.00 0.00 O ATOM 37 NE2 GLN B 3 8.740 -9.869 7.091 1.00 0.00 N ATOM 0 H GLN B 3 12.014 -11.051 3.406 1.00 0.00 H new ATOM 0 HA GLN B 3 12.008 -8.191 2.756 1.00 0.00 H new ATOM 0 HB2 GLN B 3 10.057 -8.087 4.107 1.00 0.00 H new ATOM 0 HB3 GLN B 3 9.894 -9.548 3.153 1.00 0.00 H new ATOM 0 HG2 GLN B 3 10.514 -10.939 5.031 1.00 0.00 H new ATOM 0 HG3 GLN B 3 10.976 -9.545 5.987 1.00 0.00 H new ATOM 0 HE21 GLN B 3 9.567 -9.987 7.676 1.00 0.00 H new ATOM 0 HE22 GLN B 3 7.817 -9.802 7.520 1.00 0.00 H new ATOM 46 N LYS B 4 13.749 -9.422 5.048 1.00 0.00 N ATOM 47 CA LYS B 4 14.607 -9.201 6.197 1.00 0.00 C ATOM 48 C LYS B 4 15.639 -8.121 5.873 1.00 0.00 C ATOM 49 O LYS B 4 16.084 -7.392 6.757 1.00 0.00 O ATOM 50 CB LYS B 4 15.292 -10.517 6.574 1.00 0.00 C ATOM 51 CG LYS B 4 15.506 -10.724 8.070 1.00 0.00 C ATOM 52 CD LYS B 4 16.511 -9.748 8.666 1.00 0.00 C ATOM 53 CE LYS B 4 17.895 -9.907 8.054 1.00 0.00 C ATOM 54 NZ LYS B 4 18.442 -11.277 8.238 1.00 0.00 N1+ ATOM 0 H LYS B 4 13.955 -10.276 4.529 1.00 0.00 H new ATOM 0 HA LYS B 4 14.013 -8.859 7.044 1.00 0.00 H new ATOM 0 HB2 LYS B 4 14.695 -11.344 6.189 1.00 0.00 H new ATOM 0 HB3 LYS B 4 16.259 -10.563 6.074 1.00 0.00 H new ATOM 0 HG2 LYS B 4 14.552 -10.616 8.587 1.00 0.00 H new ATOM 0 HG3 LYS B 4 15.850 -11.743 8.245 1.00 0.00 H new ATOM 0 HD2 LYS B 4 16.161 -8.728 8.510 1.00 0.00 H new ATOM 0 HD3 LYS B 4 16.571 -9.903 9.743 1.00 0.00 H new ATOM 0 HE2 LYS B 4 17.847 -9.678 6.989 1.00 0.00 H new ATOM 0 HE3 LYS B 4 18.574 -9.184 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 19.448 -11.287 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.341 -11.560 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 17.920 -11.943 7.634 1.00 0.00 H new ATOM 68 N ALA B 5 16.003 -8.022 4.599 1.00 0.00 N ATOM 69 CA ALA B 5 16.952 -7.011 4.147 1.00 0.00 C ATOM 70 C ALA B 5 16.332 -5.622 4.243 1.00 0.00 C ATOM 71 O ALA B 5 15.593 -5.207 3.354 1.00 0.00 O ATOM 72 CB ALA B 5 17.391 -7.296 2.717 1.00 0.00 C ATOM 0 H ALA B 5 15.654 -8.631 3.859 1.00 0.00 H new ATOM 0 HA ALA B 5 17.829 -7.046 4.793 1.00 0.00 H new ATOM 0 HB1 ALA B 5 18.099 -6.532 2.395 1.00 0.00 H new ATOM 0 HB2 ALA B 5 17.867 -8.275 2.671 1.00 0.00 H new ATOM 0 HB3 ALA B 5 16.521 -7.285 2.060 1.00 0.00 H new ATOM 78 N LEU B 6 16.655 -4.907 5.315 1.00 0.00 N ATOM 79 CA LEU B 6 16.019 -3.623 5.610 1.00 0.00 C ATOM 80 C LEU B 6 16.412 -2.545 4.605 1.00 0.00 C ATOM 81 O LEU B 6 15.786 -1.488 4.542 1.00 0.00 O ATOM 82 CB LEU B 6 16.368 -3.162 7.027 1.00 0.00 C ATOM 83 CG LEU B 6 15.885 -4.078 8.154 1.00 0.00 C ATOM 84 CD1 LEU B 6 16.294 -3.514 9.504 1.00 0.00 C ATOM 85 CD2 LEU B 6 14.375 -4.266 8.090 1.00 0.00 C ATOM 0 H LEU B 6 17.356 -5.194 5.998 1.00 0.00 H new ATOM 0 HA LEU B 6 14.942 -3.775 5.534 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.451 -3.062 7.102 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.945 -2.169 7.182 1.00 0.00 H new ATOM 0 HG LEU B 6 16.354 -5.054 8.027 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.944 -4.176 10.296 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.380 -3.435 9.551 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.852 -2.526 9.635 1.00 0.00 H new ATOM 0 HD21 LEU B 6 14.055 -4.921 8.901 1.00 0.00 H new ATOM 0 HD22 LEU B 6 13.883 -3.298 8.190 1.00 0.00 H new ATOM 0 HD23 LEU B 6 14.104 -4.714 7.134 1.00 0.00 H new ATOM 97 N GLU B 7 17.462 -2.800 3.836 1.00 0.00 N ATOM 98 CA GLU B 7 17.851 -1.887 2.775 1.00 0.00 C ATOM 99 C GLU B 7 16.854 -1.958 1.623 1.00 0.00 C ATOM 100 O GLU B 7 16.428 -0.932 1.098 1.00 0.00 O ATOM 101 CB GLU B 7 19.258 -2.207 2.285 1.00 0.00 C ATOM 102 CG GLU B 7 20.277 -2.223 3.406 1.00 0.00 C ATOM 103 CD GLU B 7 21.705 -2.249 2.907 1.00 0.00 C ATOM 104 OE1 GLU B 7 22.213 -3.347 2.604 1.00 0.00 O ATOM 105 OE2 GLU B 7 22.334 -1.175 2.833 1.00 0.00 O1- ATOM 0 H GLU B 7 18.054 -3.625 3.927 1.00 0.00 H new ATOM 0 HA GLU B 7 17.849 -0.872 3.172 1.00 0.00 H new ATOM 0 HB2 GLU B 7 19.254 -3.178 1.789 1.00 0.00 H new ATOM 0 HB3 GLU B 7 19.555 -1.470 1.539 1.00 0.00 H new ATOM 0 HG2 GLU B 7 20.133 -1.343 4.033 1.00 0.00 H new ATOM 0 HG3 GLU B 7 20.102 -3.095 4.036 1.00 0.00 H new ATOM 112 N GLU B 8 16.479 -3.173 1.240 1.00 0.00 N ATOM 113 CA GLU B 8 15.513 -3.366 0.177 1.00 0.00 C ATOM 114 C GLU B 8 14.098 -3.206 0.697 1.00 0.00 C ATOM 115 O GLU B 8 13.200 -2.746 -0.008 1.00 0.00 O ATOM 116 CB GLU B 8 15.672 -4.743 -0.466 1.00 0.00 C ATOM 117 CG GLU B 8 17.025 -4.966 -1.113 1.00 0.00 C ATOM 118 CD GLU B 8 17.039 -6.200 -1.988 1.00 0.00 C ATOM 119 OE1 GLU B 8 16.594 -6.108 -3.152 1.00 0.00 O ATOM 120 OE2 GLU B 8 17.494 -7.265 -1.524 1.00 0.00 O1- ATOM 0 H GLU B 8 16.832 -4.036 1.653 1.00 0.00 H new ATOM 0 HA GLU B 8 15.701 -2.603 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.513 -5.508 0.293 1.00 0.00 H new ATOM 0 HB3 GLU B 8 14.894 -4.874 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU B 8 17.288 -4.094 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU B 8 17.786 -5.062 -0.338 1.00 0.00 H new ATOM 127 N GLN B 9 13.931 -3.586 1.937 1.00 0.00 N ATOM 128 CA GLN B 9 12.644 -3.557 2.605 1.00 0.00 C ATOM 129 C GLN B 9 12.736 -2.622 3.806 1.00 0.00 C ATOM 130 O GLN B 9 13.001 -3.051 4.930 1.00 0.00 O ATOM 131 CB GLN B 9 12.263 -4.986 3.022 1.00 0.00 C ATOM 132 CG GLN B 9 10.784 -5.198 3.322 1.00 0.00 C ATOM 133 CD GLN B 9 10.362 -4.672 4.677 1.00 0.00 C ATOM 134 OE1 GLN B 9 9.946 -3.531 4.810 1.00 0.00 O ATOM 135 NE2 GLN B 9 10.480 -5.497 5.700 1.00 0.00 N ATOM 0 H GLN B 9 14.691 -3.930 2.524 1.00 0.00 H new ATOM 0 HA GLN B 9 11.866 -3.183 1.940 1.00 0.00 H new ATOM 0 HB2 GLN B 9 12.559 -5.671 2.227 1.00 0.00 H new ATOM 0 HB3 GLN B 9 12.840 -5.256 3.907 1.00 0.00 H new ATOM 0 HG2 GLN B 9 10.191 -4.708 2.550 1.00 0.00 H new ATOM 0 HG3 GLN B 9 10.559 -6.263 3.268 1.00 0.00 H new ATOM 0 HE21 GLN B 9 10.831 -6.444 5.554 1.00 0.00 H new ATOM 0 HE22 GLN B 9 10.220 -5.188 6.637 1.00 0.00 H new ATOM 144 N MET B 10 12.541 -1.337 3.549 1.00 0.00 N ATOM 145 CA MET B 10 12.723 -0.313 4.567 1.00 0.00 C ATOM 146 C MET B 10 11.482 -0.165 5.441 1.00 0.00 C ATOM 147 O MET B 10 10.418 -0.671 5.092 1.00 0.00 O ATOM 148 CB MET B 10 13.088 1.037 3.927 1.00 0.00 C ATOM 149 CG MET B 10 12.032 1.609 2.984 1.00 0.00 C ATOM 150 SD MET B 10 11.800 0.635 1.481 1.00 0.00 S ATOM 151 CE MET B 10 13.438 0.696 0.759 1.00 0.00 C ATOM 0 H MET B 10 12.255 -0.977 2.638 1.00 0.00 H new ATOM 0 HA MET B 10 13.548 -0.632 5.205 1.00 0.00 H new ATOM 0 HB2 MET B 10 13.275 1.760 4.721 1.00 0.00 H new ATOM 0 HB3 MET B 10 14.021 0.921 3.376 1.00 0.00 H new ATOM 0 HG2 MET B 10 11.082 1.676 3.514 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.315 2.625 2.708 1.00 0.00 H new ATOM 0 HE1 MET B 10 13.405 0.293 -0.253 1.00 0.00 H new ATOM 0 HE2 MET B 10 13.783 1.729 0.727 1.00 0.00 H new ATOM 0 HE3 MET B 10 14.124 0.103 1.364 1.00 0.00 H new ATOM 161 N ASN B 11 11.614 0.532 6.563 1.00 0.00 N ATOM 162 CA ASN B 11 10.529 0.683 7.529 1.00 0.00 C ATOM 163 C ASN B 11 9.201 1.069 6.870 1.00 0.00 C ATOM 164 O ASN B 11 8.130 0.638 7.304 1.00 0.00 O ATOM 165 CB ASN B 11 10.901 1.728 8.587 1.00 0.00 C ATOM 166 CG ASN B 11 9.833 1.877 9.658 1.00 0.00 C ATOM 167 OD1 ASN B 11 8.941 2.721 9.553 1.00 0.00 O ATOM 168 ND2 ASN B 11 9.909 1.047 10.687 1.00 0.00 N ATOM 0 H ASN B 11 12.475 1.009 6.830 1.00 0.00 H new ATOM 0 HA ASN B 11 10.390 -0.290 8.000 1.00 0.00 H new ATOM 0 HB2 ASN B 11 11.844 1.446 9.055 1.00 0.00 H new ATOM 0 HB3 ASN B 11 11.061 2.691 8.102 1.00 0.00 H new ATOM 0 HD21 ASN B 11 9.213 1.092 11.431 1.00 0.00 H new ATOM 0 HD22 ASN B 11 10.664 0.363 10.736 1.00 0.00 H new ATOM 175 N SER B 12 9.285 1.827 5.787 1.00 0.00 N ATOM 176 CA SER B 12 8.116 2.389 5.143 1.00 0.00 C ATOM 177 C SER B 12 7.232 1.290 4.559 1.00 0.00 C ATOM 178 O SER B 12 6.020 1.454 4.455 1.00 0.00 O ATOM 179 CB SER B 12 8.566 3.351 4.049 1.00 0.00 C ATOM 180 OG SER B 12 9.540 4.258 4.544 1.00 0.00 O ATOM 0 H SER B 12 10.166 2.067 5.333 1.00 0.00 H new ATOM 0 HA SER B 12 7.525 2.928 5.883 1.00 0.00 H new ATOM 0 HB2 SER B 12 8.979 2.789 3.211 1.00 0.00 H new ATOM 0 HB3 SER B 12 7.707 3.904 3.669 1.00 0.00 H new ATOM 0 HG SER B 12 9.816 4.865 3.826 1.00 0.00 H new ATOM 186 N ILE B 13 7.843 0.161 4.211 1.00 0.00 N ATOM 187 CA ILE B 13 7.103 -0.961 3.653 1.00 0.00 C ATOM 188 C ILE B 13 6.187 -1.541 4.718 1.00 0.00 C ATOM 189 O ILE B 13 5.001 -1.793 4.495 1.00 0.00 O ATOM 190 CB ILE B 13 8.037 -2.091 3.180 1.00 0.00 C ATOM 191 CG1 ILE B 13 9.234 -1.537 2.406 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.267 -3.093 2.329 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.952 -1.253 0.944 1.00 0.00 C ATOM 0 H ILE B 13 8.846 0.001 4.306 1.00 0.00 H new ATOM 0 HA ILE B 13 6.540 -0.583 2.799 1.00 0.00 H new ATOM 0 HB ILE B 13 8.421 -2.602 4.063 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.568 -0.617 2.885 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.057 -2.248 2.474 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.940 -3.886 2.002 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.457 -3.524 2.918 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.852 -2.587 1.457 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.852 -0.863 0.469 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.649 -2.174 0.446 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.152 -0.517 0.864 1.00 0.00 H new ATOM 205 N ASN B 14 6.776 -1.735 5.887 1.00 0.00 N ATOM 206 CA ASN B 14 6.088 -2.277 7.051 1.00 0.00 C ATOM 207 C ASN B 14 4.913 -1.390 7.429 1.00 0.00 C ATOM 208 O ASN B 14 3.883 -1.866 7.910 1.00 0.00 O ATOM 209 CB ASN B 14 7.072 -2.380 8.219 1.00 0.00 C ATOM 210 CG ASN B 14 8.343 -3.108 7.822 1.00 0.00 C ATOM 211 OD1 ASN B 14 8.467 -4.317 8.010 1.00 0.00 O ATOM 212 ND2 ASN B 14 9.295 -2.373 7.263 1.00 0.00 N ATOM 0 H ASN B 14 7.758 -1.518 6.058 1.00 0.00 H new ATOM 0 HA ASN B 14 5.706 -3.270 6.813 1.00 0.00 H new ATOM 0 HB2 ASN B 14 7.321 -1.380 8.573 1.00 0.00 H new ATOM 0 HB3 ASN B 14 6.597 -2.903 9.049 1.00 0.00 H new ATOM 0 HD21 ASN B 14 10.170 -2.808 6.971 1.00 0.00 H new ATOM 0 HD22 ASN B 14 9.152 -1.373 7.125 1.00 0.00 H new ATOM 219 N SER B 15 5.075 -0.094 7.192 1.00 0.00 N ATOM 220 CA SER B 15 4.031 0.868 7.448 1.00 0.00 C ATOM 221 C SER B 15 2.882 0.657 6.467 1.00 0.00 C ATOM 222 O SER B 15 1.721 0.680 6.857 1.00 0.00 O ATOM 223 CB SER B 15 4.590 2.291 7.340 1.00 0.00 C ATOM 224 OG SER B 15 3.677 3.245 7.855 1.00 0.00 O ATOM 0 H SER B 15 5.934 0.310 6.818 1.00 0.00 H new ATOM 0 HA SER B 15 3.650 0.728 8.460 1.00 0.00 H new ATOM 0 HB2 SER B 15 5.532 2.356 7.884 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.808 2.520 6.297 1.00 0.00 H new ATOM 0 HG SER B 15 4.062 4.143 7.774 1.00 0.00 H new ATOM 230 N VAL B 16 3.221 0.416 5.199 1.00 0.00 N ATOM 231 CA VAL B 16 2.221 0.140 4.166 1.00 0.00 C ATOM 232 C VAL B 16 1.337 -1.031 4.582 1.00 0.00 C ATOM 233 O VAL B 16 0.117 -0.993 4.428 1.00 0.00 O ATOM 234 CB VAL B 16 2.885 -0.177 2.806 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.845 -0.544 1.757 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.724 0.997 2.328 1.00 0.00 C ATOM 0 H VAL B 16 4.184 0.406 4.862 1.00 0.00 H new ATOM 0 HA VAL B 16 1.612 1.037 4.053 1.00 0.00 H new ATOM 0 HB VAL B 16 3.540 -1.036 2.951 1.00 0.00 H new ATOM 0 HG11 VAL B 16 2.343 -0.761 0.812 1.00 0.00 H new ATOM 0 HG12 VAL B 16 1.291 -1.423 2.086 1.00 0.00 H new ATOM 0 HG13 VAL B 16 1.156 0.289 1.621 1.00 0.00 H new ATOM 0 HG21 VAL B 16 4.181 0.751 1.370 1.00 0.00 H new ATOM 0 HG22 VAL B 16 3.089 1.875 2.212 1.00 0.00 H new ATOM 0 HG23 VAL B 16 4.505 1.208 3.059 1.00 0.00 H new ATOM 246 N ASN B 17 1.973 -2.060 5.129 1.00 0.00 N ATOM 247 CA ASN B 17 1.268 -3.229 5.646 1.00 0.00 C ATOM 248 C ASN B 17 0.244 -2.820 6.703 1.00 0.00 C ATOM 249 O ASN B 17 -0.905 -3.260 6.672 1.00 0.00 O ATOM 250 CB ASN B 17 2.283 -4.219 6.239 1.00 0.00 C ATOM 251 CG ASN B 17 1.646 -5.421 6.925 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.476 -5.833 6.464 1.00 0.00 O flip ATOM 253 ND2 ASN B 17 2.212 -5.978 7.866 1.00 0.00 N flip ATOM 0 H ASN B 17 2.987 -2.109 5.227 1.00 0.00 H new ATOM 0 HA ASN B 17 0.733 -3.709 4.827 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.938 -4.573 5.443 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.911 -3.693 6.958 1.00 0.00 H new ATOM 0 HD21 ASN B 17 3.114 -5.633 8.195 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.779 -6.784 8.316 1.00 0.00 H new ATOM 260 N ASP B 18 0.662 -1.956 7.615 1.00 0.00 N ATOM 261 CA ASP B 18 -0.172 -1.546 8.730 1.00 0.00 C ATOM 262 C ASP B 18 -1.236 -0.536 8.314 1.00 0.00 C ATOM 263 O ASP B 18 -2.366 -0.599 8.784 1.00 0.00 O ATOM 264 CB ASP B 18 0.704 -0.942 9.823 1.00 0.00 C ATOM 265 CG ASP B 18 0.860 -1.854 11.022 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.107 -1.986 11.805 1.00 0.00 O ATOM 267 OD2 ASP B 18 1.951 -2.431 11.198 1.00 0.00 O1- ATOM 0 H ASP B 18 1.585 -1.522 7.602 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.687 -2.432 9.101 1.00 0.00 H new ATOM 0 HB2 ASP B 18 1.688 -0.719 9.411 1.00 0.00 H new ATOM 0 HB3 ASP B 18 0.272 0.005 10.146 1.00 0.00 H new ATOM 272 N LYS B 19 -0.874 0.386 7.430 1.00 0.00 N ATOM 273 CA LYS B 19 -1.757 1.504 7.084 1.00 0.00 C ATOM 274 C LYS B 19 -2.860 1.108 6.113 1.00 0.00 C ATOM 275 O LYS B 19 -3.766 1.888 5.845 1.00 0.00 O ATOM 276 CB LYS B 19 -0.957 2.665 6.502 1.00 0.00 C ATOM 277 CG LYS B 19 0.117 3.187 7.439 1.00 0.00 C ATOM 278 CD LYS B 19 -0.338 3.154 8.889 1.00 0.00 C ATOM 279 CE LYS B 19 -1.513 4.087 9.131 1.00 0.00 C ATOM 280 NZ LYS B 19 -1.872 4.178 10.571 1.00 0.00 N1+ ATOM 0 H LYS B 19 0.020 0.386 6.939 1.00 0.00 H new ATOM 0 HA LYS B 19 -2.234 1.814 8.014 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.491 2.344 5.570 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.639 3.478 6.254 1.00 0.00 H new ATOM 0 HG2 LYS B 19 1.020 2.587 7.327 1.00 0.00 H new ATOM 0 HG3 LYS B 19 0.376 4.209 7.162 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -0.620 2.136 9.159 1.00 0.00 H new ATOM 0 HD3 LYS B 19 0.491 3.437 9.537 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.269 5.081 8.756 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.376 3.736 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -2.678 4.825 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -2.131 3.235 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -1.058 4.538 11.110 1.00 0.00 H new ATOM 294 N LEU B 20 -2.782 -0.094 5.593 1.00 0.00 N ATOM 295 CA LEU B 20 -3.756 -0.561 4.605 1.00 0.00 C ATOM 296 C LEU B 20 -4.943 -1.286 5.233 1.00 0.00 C ATOM 297 O LEU B 20 -5.602 -2.097 4.579 1.00 0.00 O ATOM 298 CB LEU B 20 -3.080 -1.446 3.566 1.00 0.00 C ATOM 299 CG LEU B 20 -2.469 -0.685 2.395 1.00 0.00 C ATOM 300 CD1 LEU B 20 -1.636 -1.602 1.518 1.00 0.00 C ATOM 301 CD2 LEU B 20 -3.563 -0.034 1.569 1.00 0.00 C ATOM 0 H LEU B 20 -2.059 -0.774 5.830 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.156 0.328 4.117 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.298 -2.027 4.054 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.811 -2.157 3.180 1.00 0.00 H new ATOM 0 HG LEU B 20 -1.814 0.086 2.800 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.214 -1.030 0.692 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.829 -2.036 2.109 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.266 -2.399 1.123 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.116 0.507 0.735 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.235 -0.802 1.185 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.125 0.661 2.193 1.00 0.00 H new ATOM 313 N ASN B 21 -5.210 -1.004 6.495 1.00 0.00 N ATOM 314 CA ASN B 21 -6.398 -1.480 7.144 1.00 0.00 C ATOM 315 C ASN B 21 -7.547 -0.480 6.941 1.00 0.00 C ATOM 316 O ASN B 21 -8.401 -0.700 6.082 1.00 0.00 O ATOM 317 CB ASN B 21 -6.094 -1.739 8.626 1.00 0.00 C ATOM 318 CG ASN B 21 -5.510 -0.550 9.377 1.00 0.00 C ATOM 319 OD1 ASN B 21 -4.941 0.368 8.788 1.00 0.00 O ATOM 320 ND2 ASN B 21 -5.632 -0.570 10.693 1.00 0.00 N ATOM 0 H ASN B 21 -4.605 -0.439 7.090 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.720 -2.423 6.702 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -7.014 -2.047 9.122 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.397 -2.574 8.699 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.248 0.192 11.252 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -6.110 -1.347 11.149 1.00 0.00 H new ATOM 327 N LYS B 22 -7.560 0.604 7.721 1.00 0.00 N ATOM 328 CA LYS B 22 -8.455 1.750 7.506 1.00 0.00 C ATOM 329 C LYS B 22 -9.916 1.354 7.291 1.00 0.00 C ATOM 330 O LYS B 22 -10.645 1.997 6.533 1.00 0.00 O ATOM 331 CB LYS B 22 -7.949 2.579 6.333 1.00 0.00 C ATOM 332 CG LYS B 22 -6.561 3.147 6.575 1.00 0.00 C ATOM 333 CD LYS B 22 -6.057 3.946 5.386 1.00 0.00 C ATOM 334 CE LYS B 22 -6.968 5.118 5.069 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.021 6.109 6.175 1.00 0.00 N1+ ATOM 0 H LYS B 22 -6.945 0.714 8.527 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.438 2.342 8.421 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.933 1.960 5.436 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.644 3.397 6.144 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.580 3.785 7.459 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.868 2.332 6.784 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.052 4.313 5.594 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -5.985 3.295 4.515 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -6.620 5.610 4.160 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -7.973 4.749 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -7.529 6.958 5.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -7.517 5.694 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.054 6.369 6.455 1.00 0.00 H new ATOM 349 N GLY B 23 -10.336 0.299 7.956 1.00 0.00 N ATOM 350 CA GLY B 23 -11.715 -0.107 7.903 1.00 0.00 C ATOM 351 C GLY B 23 -11.852 -1.596 7.992 1.00 0.00 C ATOM 352 O GLY B 23 -11.887 -2.168 9.080 1.00 0.00 O ATOM 0 H GLY B 23 -9.739 -0.289 8.538 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -12.265 0.360 8.721 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.164 0.246 6.975 1.00 0.00 H new ATOM 356 N LYS B 24 -11.884 -2.224 6.836 1.00 0.00 N ATOM 357 CA LYS B 24 -12.199 -3.642 6.723 1.00 0.00 C ATOM 358 C LYS B 24 -11.531 -4.207 5.476 1.00 0.00 C ATOM 359 O LYS B 24 -10.420 -3.800 5.133 1.00 0.00 O ATOM 360 CB LYS B 24 -13.723 -3.846 6.671 1.00 0.00 C ATOM 361 CG LYS B 24 -14.447 -3.196 7.839 1.00 0.00 C ATOM 362 CD LYS B 24 -15.950 -3.321 7.737 1.00 0.00 C ATOM 363 CE LYS B 24 -16.664 -2.363 8.689 1.00 0.00 C ATOM 364 NZ LYS B 24 -16.360 -2.649 10.116 1.00 0.00 N1+ ATOM 0 H LYS B 24 -11.693 -1.769 5.943 1.00 0.00 H new ATOM 0 HA LYS B 24 -11.820 -4.172 7.597 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.108 -3.435 5.738 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -13.942 -4.914 6.663 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.111 -3.654 8.769 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.177 -2.141 7.887 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -16.263 -3.117 6.713 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -16.246 -4.346 7.963 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -16.371 -1.339 8.456 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -17.740 -2.431 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -16.894 -1.995 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -16.632 -3.628 10.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -15.341 -2.525 10.286 1.00 0.00 H new ATOM 378 N GLY B 25 -12.221 -5.103 4.783 1.00 0.00 N ATOM 379 CA GLY B 25 -11.619 -5.808 3.668 1.00 0.00 C ATOM 380 C GLY B 25 -10.529 -6.765 4.099 1.00 0.00 C ATOM 381 O GLY B 25 -9.472 -6.345 4.575 1.00 0.00 O ATOM 0 H GLY B 25 -13.191 -5.355 4.974 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.392 -6.361 3.134 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.204 -5.083 2.967 1.00 0.00 H new ATOM 385 N LYS B 26 -10.787 -8.055 3.952 1.00 0.00 N ATOM 386 CA LYS B 26 -9.773 -9.057 4.206 1.00 0.00 C ATOM 387 C LYS B 26 -8.626 -8.870 3.226 1.00 0.00 C ATOM 388 O LYS B 26 -8.815 -8.999 2.021 1.00 0.00 O ATOM 389 CB LYS B 26 -10.357 -10.459 4.056 1.00 0.00 C ATOM 390 CG LYS B 26 -10.137 -11.335 5.271 1.00 0.00 C ATOM 391 CD LYS B 26 -10.434 -12.800 4.974 1.00 0.00 C ATOM 392 CE LYS B 26 -11.924 -13.072 4.818 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.659 -12.865 6.093 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.689 -8.429 3.658 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.408 -8.942 5.227 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.427 -10.380 3.863 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.911 -10.939 3.185 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.106 -11.235 5.609 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.775 -10.993 6.086 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.916 -13.095 4.061 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.037 -13.418 5.779 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.335 -12.416 4.051 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.073 -14.096 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.610 -13.280 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.142 -13.324 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.741 -11.846 6.285 1.00 0.00 H new ATOM 407 N LEU B 27 -7.460 -8.532 3.740 1.00 0.00 N ATOM 408 CA LEU B 27 -6.307 -8.288 2.921 1.00 0.00 C ATOM 409 C LEU B 27 -5.045 -8.584 3.720 1.00 0.00 C ATOM 410 O LEU B 27 -4.662 -7.823 4.610 1.00 0.00 O ATOM 411 CB LEU B 27 -6.315 -6.838 2.442 1.00 0.00 C ATOM 412 CG LEU B 27 -4.948 -6.292 2.072 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.549 -6.731 0.673 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.914 -4.780 2.205 1.00 0.00 C ATOM 0 H LEU B 27 -7.293 -8.421 4.740 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.329 -8.941 2.049 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.971 -6.758 1.575 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.743 -6.212 3.225 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.219 -6.703 2.770 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.566 -6.327 0.431 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.515 -7.820 0.629 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.280 -6.362 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.924 -4.413 1.934 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.658 -4.340 1.541 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.136 -4.500 3.235 1.00 0.00 H new ATOM 426 N SER B 28 -4.422 -9.703 3.419 1.00 0.00 N ATOM 427 CA SER B 28 -3.197 -10.090 4.084 1.00 0.00 C ATOM 428 C SER B 28 -1.993 -9.710 3.237 1.00 0.00 C ATOM 429 O SER B 28 -1.802 -10.239 2.140 1.00 0.00 O ATOM 430 CB SER B 28 -3.211 -11.590 4.365 1.00 0.00 C ATOM 431 OG SER B 28 -4.217 -11.912 5.313 1.00 0.00 O ATOM 0 H SER B 28 -4.746 -10.364 2.713 1.00 0.00 H new ATOM 0 HA SER B 28 -3.124 -9.559 5.033 1.00 0.00 H new ATOM 0 HB2 SER B 28 -3.388 -12.137 3.439 1.00 0.00 H new ATOM 0 HB3 SER B 28 -2.237 -11.904 4.740 1.00 0.00 H new ATOM 0 HG SER B 28 -4.212 -12.878 5.480 1.00 0.00 H new ATOM 437 N LEU B 29 -1.199 -8.776 3.743 1.00 0.00 N ATOM 438 CA LEU B 29 -0.027 -8.305 3.029 1.00 0.00 C ATOM 439 C LEU B 29 1.172 -9.187 3.330 1.00 0.00 C ATOM 440 O LEU B 29 1.203 -9.913 4.325 1.00 0.00 O ATOM 441 CB LEU B 29 0.329 -6.857 3.406 1.00 0.00 C ATOM 442 CG LEU B 29 -0.684 -5.767 3.045 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.120 -5.882 1.596 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.870 -5.815 3.980 1.00 0.00 C ATOM 0 H LEU B 29 -1.349 -8.330 4.648 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.269 -8.346 1.967 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.495 -6.820 4.483 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.277 -6.608 2.929 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.199 -4.798 3.164 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.839 -5.095 1.369 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -0.252 -5.779 0.945 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.583 -6.855 1.431 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.579 -5.033 3.708 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.355 -6.788 3.903 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.532 -5.658 5.004 1.00 0.00 H new ATOM 456 N SER B 30 2.142 -9.113 2.447 1.00 0.00 N ATOM 457 CA SER B 30 3.418 -9.761 2.612 1.00 0.00 C ATOM 458 C SER B 30 4.467 -8.946 1.872 1.00 0.00 C ATOM 459 O SER B 30 4.169 -8.327 0.847 1.00 0.00 O ATOM 460 CB SER B 30 3.358 -11.191 2.088 1.00 0.00 C ATOM 461 OG SER B 30 2.316 -11.337 1.136 1.00 0.00 O ATOM 0 H SER B 30 2.061 -8.588 1.576 1.00 0.00 H new ATOM 0 HA SER B 30 3.681 -9.814 3.668 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.312 -11.456 1.633 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.198 -11.880 2.917 1.00 0.00 H new ATOM 0 HG SER B 30 2.296 -12.262 0.812 1.00 0.00 H new ATOM 467 N MET B 31 5.681 -8.934 2.379 1.00 0.00 N ATOM 468 CA MET B 31 6.683 -8.004 1.886 1.00 0.00 C ATOM 469 C MET B 31 7.881 -8.725 1.297 1.00 0.00 C ATOM 470 O MET B 31 8.316 -9.758 1.806 1.00 0.00 O ATOM 471 CB MET B 31 7.129 -7.082 3.022 1.00 0.00 C ATOM 472 CG MET B 31 5.979 -6.319 3.659 1.00 0.00 C ATOM 473 SD MET B 31 6.499 -5.303 5.054 1.00 0.00 S ATOM 474 CE MET B 31 7.067 -6.561 6.194 1.00 0.00 C ATOM 0 H MET B 31 6.000 -9.551 3.126 1.00 0.00 H new ATOM 0 HA MET B 31 6.232 -7.414 1.088 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.631 -7.675 3.787 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.860 -6.371 2.638 1.00 0.00 H new ATOM 0 HG2 MET B 31 5.511 -5.683 2.907 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.221 -7.027 3.994 1.00 0.00 H new ATOM 0 HE1 MET B 31 6.934 -6.211 7.218 1.00 0.00 H new ATOM 0 HE2 MET B 31 6.491 -7.474 6.045 1.00 0.00 H new ATOM 0 HE3 MET B 31 8.123 -6.765 6.015 1.00 0.00 H new ATOM 484 N ASN B 32 8.399 -8.181 0.207 1.00 0.00 N ATOM 485 CA ASN B 32 9.625 -8.680 -0.395 1.00 0.00 C ATOM 486 C ASN B 32 10.349 -7.533 -1.097 1.00 0.00 C ATOM 487 O ASN B 32 10.565 -7.567 -2.308 1.00 0.00 O ATOM 488 CB ASN B 32 9.322 -9.825 -1.380 1.00 0.00 C ATOM 489 CG ASN B 32 10.579 -10.425 -1.990 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.657 -10.386 -1.397 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.447 -11.001 -3.174 1.00 0.00 N ATOM 0 H ASN B 32 7.985 -7.387 -0.282 1.00 0.00 H new ATOM 0 HA ASN B 32 10.271 -9.080 0.387 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.766 -10.607 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.679 -9.452 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.254 -11.432 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.538 -11.014 -3.636 1.00 0.00 H new ATOM 498 N GLY B 33 10.709 -6.518 -0.309 1.00 0.00 N ATOM 499 CA GLY B 33 11.392 -5.336 -0.826 1.00 0.00 C ATOM 500 C GLY B 33 10.660 -4.680 -1.976 1.00 0.00 C ATOM 501 O GLY B 33 9.777 -3.851 -1.770 1.00 0.00 O ATOM 0 H GLY B 33 10.536 -6.494 0.696 1.00 0.00 H new ATOM 0 HA2 GLY B 33 11.512 -4.612 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.393 -5.617 -1.154 1.00 0.00 H new ATOM 505 N ASN B 34 11.022 -5.072 -3.187 1.00 0.00 N ATOM 506 CA ASN B 34 10.446 -4.496 -4.390 1.00 0.00 C ATOM 507 C ASN B 34 9.054 -5.054 -4.660 1.00 0.00 C ATOM 508 O ASN B 34 8.288 -4.474 -5.419 1.00 0.00 O ATOM 509 CB ASN B 34 11.353 -4.757 -5.600 1.00 0.00 C ATOM 510 CG ASN B 34 11.395 -6.220 -6.011 1.00 0.00 C ATOM 511 OD1 ASN B 34 10.606 -6.665 -6.845 1.00 0.00 O ATOM 512 ND2 ASN B 34 12.318 -6.975 -5.435 1.00 0.00 N ATOM 0 H ASN B 34 11.720 -5.795 -3.363 1.00 0.00 H new ATOM 0 HA ASN B 34 10.361 -3.421 -4.231 1.00 0.00 H new ATOM 0 HB2 ASN B 34 11.005 -4.159 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN B 34 12.364 -4.422 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.393 -7.963 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.953 -6.569 -4.748 1.00 0.00 H new ATOM 519 N GLN B 35 8.718 -6.183 -4.053 1.00 0.00 N ATOM 520 CA GLN B 35 7.403 -6.759 -4.273 1.00 0.00 C ATOM 521 C GLN B 35 6.474 -6.470 -3.118 1.00 0.00 C ATOM 522 O GLN B 35 6.883 -6.420 -1.954 1.00 0.00 O ATOM 523 CB GLN B 35 7.449 -8.269 -4.484 1.00 0.00 C ATOM 524 CG GLN B 35 8.385 -8.712 -5.585 1.00 0.00 C ATOM 525 CD GLN B 35 8.415 -10.219 -5.748 1.00 0.00 C ATOM 526 OE1 GLN B 35 7.427 -10.906 -5.490 1.00 0.00 O ATOM 527 NE2 GLN B 35 9.550 -10.751 -6.167 1.00 0.00 N ATOM 0 H GLN B 35 9.322 -6.707 -3.420 1.00 0.00 H new ATOM 0 HA GLN B 35 7.028 -6.289 -5.182 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.751 -8.746 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.444 -8.624 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN B 35 8.078 -8.254 -6.525 1.00 0.00 H new ATOM 0 HG3 GLN B 35 9.391 -8.353 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN B 35 10.349 -10.151 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN B 35 9.627 -11.761 -6.286 1.00 0.00 H new ATOM 536 N LEU B 36 5.218 -6.320 -3.462 1.00 0.00 N ATOM 537 CA LEU B 36 4.161 -6.160 -2.485 1.00 0.00 C ATOM 538 C LEU B 36 3.145 -7.257 -2.729 1.00 0.00 C ATOM 539 O LEU B 36 2.378 -7.214 -3.692 1.00 0.00 O ATOM 540 CB LEU B 36 3.496 -4.785 -2.592 1.00 0.00 C ATOM 541 CG LEU B 36 2.929 -4.208 -1.281 1.00 0.00 C ATOM 542 CD1 LEU B 36 1.849 -5.109 -0.692 1.00 0.00 C ATOM 543 CD2 LEU B 36 4.044 -3.987 -0.268 1.00 0.00 C ATOM 0 H LEU B 36 4.896 -6.305 -4.430 1.00 0.00 H new ATOM 0 HA LEU B 36 4.577 -6.230 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU B 36 4.225 -4.080 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.686 -4.850 -3.318 1.00 0.00 H new ATOM 0 HG LEU B 36 2.470 -3.248 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.473 -4.670 0.232 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.031 -5.210 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.270 -6.092 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU B 36 3.624 -3.579 0.652 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.534 -4.937 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.773 -3.287 -0.676 1.00 0.00 H new ATOM 555 N LYS B 37 3.165 -8.243 -1.868 1.00 0.00 N ATOM 556 CA LYS B 37 2.360 -9.429 -2.059 1.00 0.00 C ATOM 557 C LYS B 37 1.153 -9.349 -1.149 1.00 0.00 C ATOM 558 O LYS B 37 1.261 -8.862 -0.025 1.00 0.00 O ATOM 559 CB LYS B 37 3.183 -10.680 -1.739 1.00 0.00 C ATOM 560 CG LYS B 37 4.675 -10.542 -2.056 1.00 0.00 C ATOM 561 CD LYS B 37 4.943 -10.359 -3.539 1.00 0.00 C ATOM 562 CE LYS B 37 4.390 -11.508 -4.372 1.00 0.00 C ATOM 563 NZ LYS B 37 4.969 -12.819 -3.977 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.733 -8.250 -1.021 1.00 0.00 H new ATOM 0 HA LYS B 37 2.033 -9.491 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.067 -10.918 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.779 -11.522 -2.301 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.081 -9.691 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.201 -11.429 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS B 37 4.497 -9.423 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.017 -10.277 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS B 37 3.306 -11.544 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS B 37 4.599 -11.324 -5.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 4.656 -13.552 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.007 -12.758 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 4.650 -13.065 -3.018 1.00 0.00 H new ATOM 577 N ALA B 38 0.009 -9.811 -1.615 1.00 0.00 N ATOM 578 CA ALA B 38 -1.214 -9.668 -0.843 1.00 0.00 C ATOM 579 C ALA B 38 -2.314 -10.597 -1.324 1.00 0.00 C ATOM 580 O ALA B 38 -2.438 -10.874 -2.518 1.00 0.00 O ATOM 581 CB ALA B 38 -1.693 -8.229 -0.902 1.00 0.00 C ATOM 0 H ALA B 38 -0.101 -10.283 -2.512 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.983 -9.944 0.186 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.610 -8.127 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.927 -7.573 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -1.887 -7.952 -1.938 1.00 0.00 H new ATOM 587 N THR B 39 -3.107 -11.075 -0.383 1.00 0.00 N ATOM 588 CA THR B 39 -4.292 -11.841 -0.693 1.00 0.00 C ATOM 589 C THR B 39 -5.496 -11.146 -0.082 1.00 0.00 C ATOM 590 O THR B 39 -5.391 -10.567 0.998 1.00 0.00 O ATOM 591 CB THR B 39 -4.179 -13.278 -0.164 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.635 -13.274 1.166 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.307 -14.127 -1.076 1.00 0.00 C ATOM 0 H THR B 39 -2.945 -10.942 0.615 1.00 0.00 H new ATOM 0 HA THR B 39 -4.406 -11.900 -1.775 1.00 0.00 H new ATOM 0 HB THR B 39 -5.179 -13.711 -0.143 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.569 -14.195 1.495 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.243 -15.140 -0.679 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.744 -14.155 -2.074 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.308 -13.695 -1.130 1.00 0.00 H new ATOM 601 N SER B 40 -6.624 -11.167 -0.767 1.00 0.00 N ATOM 602 CA SER B 40 -7.771 -10.407 -0.311 1.00 0.00 C ATOM 603 C SER B 40 -9.066 -11.193 -0.429 1.00 0.00 C ATOM 604 O SER B 40 -9.184 -12.121 -1.231 1.00 0.00 O ATOM 605 CB SER B 40 -7.875 -9.100 -1.096 1.00 0.00 C ATOM 606 OG SER B 40 -6.662 -8.370 -1.022 1.00 0.00 O ATOM 0 H SER B 40 -6.770 -11.694 -1.628 1.00 0.00 H new ATOM 0 HA SER B 40 -7.620 -10.190 0.746 1.00 0.00 H new ATOM 0 HB2 SER B 40 -8.113 -9.314 -2.138 1.00 0.00 H new ATOM 0 HB3 SER B 40 -8.692 -8.497 -0.700 1.00 0.00 H new ATOM 0 HG SER B 40 -6.301 -8.244 -1.924 1.00 0.00 H new ATOM 612 N SER B 41 -10.029 -10.813 0.392 1.00 0.00 N ATOM 613 CA SER B 41 -11.348 -11.399 0.364 1.00 0.00 C ATOM 614 C SER B 41 -12.393 -10.309 0.513 1.00 0.00 C ATOM 615 O SER B 41 -12.143 -9.259 1.115 1.00 0.00 O ATOM 616 CB SER B 41 -11.498 -12.441 1.465 1.00 0.00 C ATOM 617 OG SER B 41 -12.752 -13.094 1.395 1.00 0.00 O ATOM 0 H SER B 41 -9.913 -10.086 1.098 1.00 0.00 H new ATOM 0 HA SER B 41 -11.492 -11.900 -0.593 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.698 -13.177 1.382 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.390 -11.962 2.438 1.00 0.00 H new ATOM 0 HG SER B 41 -12.816 -13.757 2.114 1.00 0.00 H new ATOM 623 N ASN B 42 -13.570 -10.587 0.001 1.00 0.00 N ATOM 624 CA ASN B 42 -14.613 -9.591 -0.133 1.00 0.00 C ATOM 625 C ASN B 42 -15.690 -9.826 0.911 1.00 0.00 C ATOM 626 O ASN B 42 -16.880 -9.632 0.668 1.00 0.00 O ATOM 627 CB ASN B 42 -15.206 -9.631 -1.545 1.00 0.00 C ATOM 628 CG ASN B 42 -14.152 -9.446 -2.621 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.582 -10.415 -3.131 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.875 -8.203 -2.969 1.00 0.00 N ATOM 0 H ASN B 42 -13.834 -11.513 -0.336 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.184 -8.602 0.028 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.712 -10.584 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.961 -8.850 -1.641 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.169 -8.018 -3.682 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.367 -7.427 -2.525 1.00 0.00 H new ATOM 637 N ALA B 43 -15.238 -10.235 2.085 1.00 0.00 N ATOM 638 CA ALA B 43 -16.119 -10.567 3.203 1.00 0.00 C ATOM 639 C ALA B 43 -16.646 -9.324 3.926 1.00 0.00 C ATOM 640 O ALA B 43 -17.008 -9.390 5.099 1.00 0.00 O ATOM 641 CB ALA B 43 -15.385 -11.469 4.180 1.00 0.00 C ATOM 0 H ALA B 43 -14.246 -10.348 2.295 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.985 -11.087 2.794 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.044 -11.715 5.013 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.083 -12.385 3.673 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -14.501 -10.954 4.556 1.00 0.00 H new ATOM 647 N GLY B 44 -16.665 -8.192 3.239 1.00 0.00 N ATOM 648 CA GLY B 44 -17.137 -6.960 3.847 1.00 0.00 C ATOM 649 C GLY B 44 -16.532 -5.743 3.187 1.00 0.00 C ATOM 650 O GLY B 44 -17.254 -4.878 2.695 1.00 0.00 O ATOM 0 H GLY B 44 -16.362 -8.102 2.269 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -18.223 -6.911 3.774 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.889 -6.960 4.908 1.00 0.00 H new ATOM 654 N TYR B 45 -15.199 -5.707 3.179 1.00 0.00 N ATOM 655 CA TYR B 45 -14.399 -4.667 2.518 1.00 0.00 C ATOM 656 C TYR B 45 -14.866 -3.239 2.825 1.00 0.00 C ATOM 657 O TYR B 45 -15.527 -2.999 3.828 1.00 0.00 O ATOM 658 CB TYR B 45 -14.303 -4.934 1.006 1.00 0.00 C ATOM 659 CG TYR B 45 -15.616 -4.890 0.236 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.245 -3.682 -0.030 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.212 -6.054 -0.238 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.426 -3.625 -0.739 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.399 -6.007 -0.949 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.000 -4.789 -1.197 1.00 0.00 C ATOM 665 OH TYR B 45 -19.178 -4.735 -1.907 1.00 0.00 O ATOM 0 H TYR B 45 -14.629 -6.415 3.642 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.397 -4.730 2.942 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.624 -4.201 0.570 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -13.851 -5.915 0.858 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.799 -2.765 0.327 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -15.742 -7.008 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.898 -2.673 -0.934 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -17.853 -6.919 -1.308 1.00 0.00 H new ATOM 0 HH TYR B 45 -19.450 -5.642 -2.159 1.00 0.00 H new ATOM 675 N GLY B 46 -14.447 -2.290 1.994 1.00 0.00 N ATOM 676 CA GLY B 46 -14.836 -0.906 2.164 1.00 0.00 C ATOM 677 C GLY B 46 -16.307 -0.655 1.882 1.00 0.00 C ATOM 678 O GLY B 46 -16.732 -0.630 0.726 1.00 0.00 O ATOM 0 H GLY B 46 -13.836 -2.461 1.195 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -14.611 -0.596 3.184 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.235 -0.283 1.501 1.00 0.00 H new ATOM 682 N ILE B 47 -17.086 -0.470 2.940 1.00 0.00 N ATOM 683 CA ILE B 47 -18.513 -0.201 2.796 1.00 0.00 C ATOM 684 C ILE B 47 -18.795 1.271 2.948 1.00 0.00 C ATOM 685 O ILE B 47 -19.120 1.978 1.992 1.00 0.00 O ATOM 686 CB ILE B 47 -19.356 -0.891 3.884 1.00 0.00 C ATOM 687 CG1 ILE B 47 -18.865 -2.297 4.154 1.00 0.00 C ATOM 688 CG2 ILE B 47 -20.825 -0.885 3.502 1.00 0.00 C ATOM 689 CD1 ILE B 47 -17.949 -2.381 5.352 1.00 0.00 C ATOM 0 H ILE B 47 -16.756 -0.501 3.905 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.778 -0.577 1.808 1.00 0.00 H new ATOM 0 HB ILE B 47 -19.242 -0.326 4.809 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -19.722 -2.951 4.312 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -18.339 -2.668 3.274 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -21.406 -1.377 4.282 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -21.167 0.144 3.389 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -20.958 -1.418 2.560 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -17.630 -3.414 5.495 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -17.075 -1.751 5.187 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -18.480 -2.039 6.241 1.00 0.00 H new ATOM 701 N SER B 48 -18.659 1.712 4.178 1.00 0.00 N ATOM 702 CA SER B 48 -19.031 3.053 4.558 1.00 0.00 C ATOM 703 C SER B 48 -17.808 3.962 4.626 1.00 0.00 C ATOM 704 O SER B 48 -17.111 4.128 3.624 1.00 0.00 O ATOM 705 CB SER B 48 -19.769 3.015 5.897 1.00 0.00 C ATOM 706 OG SER B 48 -20.853 2.101 5.846 1.00 0.00 O ATOM 0 H SER B 48 -18.287 1.149 4.943 1.00 0.00 H new ATOM 0 HA SER B 48 -19.697 3.467 3.800 1.00 0.00 H new ATOM 0 HB2 SER B 48 -19.079 2.725 6.690 1.00 0.00 H new ATOM 0 HB3 SER B 48 -20.138 4.011 6.143 1.00 0.00 H new ATOM 0 HG SER B 48 -21.312 2.089 6.712 1.00 0.00 H new ATOM 712 N TYR B 49 -17.536 4.507 5.819 1.00 0.00 N ATOM 713 CA TYR B 49 -16.511 5.545 6.012 1.00 0.00 C ATOM 714 C TYR B 49 -16.498 6.531 4.849 1.00 0.00 C ATOM 715 O TYR B 49 -15.443 6.902 4.340 1.00 0.00 O ATOM 716 CB TYR B 49 -15.108 4.968 6.262 1.00 0.00 C ATOM 717 CG TYR B 49 -14.924 3.497 5.951 1.00 0.00 C ATOM 718 CD1 TYR B 49 -15.288 2.514 6.867 1.00 0.00 C ATOM 719 CD2 TYR B 49 -14.356 3.096 4.752 1.00 0.00 C ATOM 720 CE1 TYR B 49 -15.091 1.176 6.589 1.00 0.00 C ATOM 721 CE2 TYR B 49 -14.161 1.761 4.467 1.00 0.00 C ATOM 722 CZ TYR B 49 -14.529 0.806 5.390 1.00 0.00 C ATOM 723 OH TYR B 49 -14.326 -0.523 5.114 1.00 0.00 O ATOM 0 H TYR B 49 -18.019 4.242 6.678 1.00 0.00 H new ATOM 0 HA TYR B 49 -16.789 6.083 6.918 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -14.393 5.536 5.667 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -14.852 5.131 7.309 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -15.731 2.802 7.809 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -14.061 3.842 4.029 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -15.377 0.424 7.310 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -13.722 1.465 3.525 1.00 0.00 H new ATOM 0 HH TYR B 49 -15.007 -1.060 5.571 1.00 0.00 H new ATOM 733 N GLU B 50 -17.702 6.957 4.475 1.00 0.00 N ATOM 734 CA GLU B 50 -17.938 7.889 3.384 1.00 0.00 C ATOM 735 C GLU B 50 -17.195 7.507 2.108 1.00 0.00 C ATOM 736 O GLU B 50 -17.674 6.703 1.305 1.00 0.00 O ATOM 737 CB GLU B 50 -17.537 9.284 3.826 1.00 0.00 C ATOM 738 CG GLU B 50 -18.334 9.799 5.004 1.00 0.00 C ATOM 739 CD GLU B 50 -17.867 11.164 5.448 1.00 0.00 C ATOM 740 OE1 GLU B 50 -18.319 12.173 4.869 1.00 0.00 O ATOM 741 OE2 GLU B 50 -17.033 11.235 6.375 1.00 0.00 O1- ATOM 0 H GLU B 50 -18.560 6.654 4.936 1.00 0.00 H new ATOM 0 HA GLU B 50 -19.001 7.856 3.146 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.479 9.283 4.087 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.658 9.970 2.988 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -19.389 9.846 4.735 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -18.248 9.098 5.834 1.00 0.00 H new ATOM 748 N ASP B 51 -16.020 8.092 1.949 1.00 0.00 N ATOM 749 CA ASP B 51 -15.180 7.898 0.784 1.00 0.00 C ATOM 750 C ASP B 51 -13.866 8.618 1.032 1.00 0.00 C ATOM 751 O ASP B 51 -13.826 9.850 1.072 1.00 0.00 O ATOM 752 CB ASP B 51 -15.864 8.491 -0.441 1.00 0.00 C ATOM 753 CG ASP B 51 -15.190 8.150 -1.748 1.00 0.00 C ATOM 754 OD1 ASP B 51 -15.509 7.096 -2.330 1.00 0.00 O ATOM 755 OD2 ASP B 51 -14.355 8.953 -2.214 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.618 8.726 2.639 1.00 0.00 H new ATOM 0 HA ASP B 51 -15.006 6.836 0.611 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.895 8.140 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.900 9.575 -0.335 1.00 0.00 H new ATOM 760 N LYS B 52 -12.801 7.868 1.225 1.00 0.00 N ATOM 761 CA LYS B 52 -11.526 8.463 1.592 1.00 0.00 C ATOM 762 C LYS B 52 -10.458 8.065 0.576 1.00 0.00 C ATOM 763 O LYS B 52 -10.404 6.911 0.155 1.00 0.00 O ATOM 764 CB LYS B 52 -11.106 8.001 2.993 1.00 0.00 C ATOM 765 CG LYS B 52 -12.247 7.843 4.002 1.00 0.00 C ATOM 766 CD LYS B 52 -12.826 9.175 4.458 1.00 0.00 C ATOM 767 CE LYS B 52 -13.716 8.993 5.687 1.00 0.00 C ATOM 768 NZ LYS B 52 -14.323 10.274 6.142 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.789 6.852 1.136 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.634 9.548 1.597 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.589 7.046 2.902 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -10.387 8.716 3.392 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -13.039 7.243 3.555 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.883 7.295 4.871 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -12.017 9.867 4.690 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -13.404 9.621 3.649 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -14.508 8.280 5.457 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -13.128 8.564 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -14.036 10.465 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -13.998 11.049 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -15.359 10.204 6.092 1.00 0.00 H new ATOM 782 N ASN B 53 -9.627 9.020 0.171 1.00 0.00 N ATOM 783 CA ASN B 53 -8.579 8.765 -0.812 1.00 0.00 C ATOM 784 C ASN B 53 -7.200 9.055 -0.239 1.00 0.00 C ATOM 785 O ASN B 53 -7.010 10.037 0.486 1.00 0.00 O ATOM 786 CB ASN B 53 -8.772 9.642 -2.048 1.00 0.00 C ATOM 787 CG ASN B 53 -10.032 9.328 -2.827 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.032 8.473 -3.711 1.00 0.00 O ATOM 789 ND2 ASN B 53 -11.113 10.029 -2.519 1.00 0.00 N ATOM 0 H ASN B 53 -9.659 9.982 0.510 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.649 7.711 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.797 10.687 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.910 9.523 -2.705 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.986 9.868 -3.022 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -11.073 10.730 -1.779 1.00 0.00 H new ATOM 796 N TRP B 54 -6.236 8.210 -0.573 1.00 0.00 N ATOM 797 CA TRP B 54 -4.852 8.454 -0.228 1.00 0.00 C ATOM 798 C TRP B 54 -3.922 7.704 -1.182 1.00 0.00 C ATOM 799 O TRP B 54 -4.382 6.910 -2.006 1.00 0.00 O ATOM 800 CB TRP B 54 -4.582 8.093 1.228 1.00 0.00 C ATOM 801 CG TRP B 54 -4.759 6.659 1.589 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.935 5.982 1.721 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.718 5.735 1.912 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.692 4.689 2.101 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.337 4.511 2.226 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.318 5.823 1.957 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.608 3.383 2.590 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.600 4.697 2.318 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.245 3.493 2.628 1.00 0.00 C ATOM 0 H TRP B 54 -6.394 7.343 -1.087 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.649 9.519 -0.338 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.560 8.385 1.470 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.242 8.690 1.858 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.915 6.404 1.551 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.402 3.975 2.264 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.814 6.747 1.716 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -4.101 2.453 2.834 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.522 4.747 2.362 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.653 2.632 2.903 1.00 0.00 H new ATOM 820 N GLY B 55 -2.622 7.967 -1.084 1.00 0.00 N ATOM 821 CA GLY B 55 -1.683 7.413 -2.044 1.00 0.00 C ATOM 822 C GLY B 55 -0.404 6.895 -1.415 1.00 0.00 C ATOM 823 O GLY B 55 0.060 7.423 -0.401 1.00 0.00 O ATOM 0 H GLY B 55 -2.203 8.551 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.167 6.600 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.432 8.179 -2.778 1.00 0.00 H new ATOM 827 N ILE B 56 0.152 5.841 -2.010 1.00 0.00 N ATOM 828 CA ILE B 56 1.480 5.360 -1.656 1.00 0.00 C ATOM 829 C ILE B 56 2.463 5.710 -2.769 1.00 0.00 C ATOM 830 O ILE B 56 2.093 5.728 -3.949 1.00 0.00 O ATOM 831 CB ILE B 56 1.485 3.837 -1.450 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.343 3.422 -0.528 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.818 3.378 -0.872 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.057 1.943 -0.576 1.00 0.00 C ATOM 0 H ILE B 56 -0.304 5.302 -2.746 1.00 0.00 H new ATOM 0 HA ILE B 56 1.774 5.840 -0.723 1.00 0.00 H new ATOM 0 HB ILE B 56 1.345 3.360 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.588 3.706 0.495 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.558 3.970 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.802 2.297 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.623 3.644 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.985 3.864 0.089 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.765 1.709 0.101 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.217 1.658 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.946 1.390 -0.272 1.00 0.00 H new ATOM 846 N PHE B 57 3.705 5.994 -2.400 1.00 0.00 N ATOM 847 CA PHE B 57 4.701 6.459 -3.359 1.00 0.00 C ATOM 848 C PHE B 57 5.964 5.605 -3.309 1.00 0.00 C ATOM 849 O PHE B 57 6.357 5.148 -2.238 1.00 0.00 O ATOM 850 CB PHE B 57 4.993 7.930 -3.062 1.00 0.00 C ATOM 851 CG PHE B 57 3.716 8.718 -3.023 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.152 9.189 -4.193 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.039 8.912 -1.832 1.00 0.00 C ATOM 854 CE1 PHE B 57 1.942 9.853 -4.177 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.824 9.560 -1.812 1.00 0.00 C ATOM 856 CZ PHE B 57 1.274 10.034 -2.983 1.00 0.00 C ATOM 0 H PHE B 57 4.048 5.911 -1.443 1.00 0.00 H new ATOM 0 HA PHE B 57 4.315 6.363 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.512 8.019 -2.108 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.656 8.337 -3.825 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.664 9.036 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.468 8.552 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.519 10.230 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.301 9.697 -0.877 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.323 10.546 -2.967 1.00 0.00 H new ATOM 866 N VAL B 58 6.593 5.377 -4.469 1.00 0.00 N ATOM 867 CA VAL B 58 7.783 4.556 -4.531 1.00 0.00 C ATOM 868 C VAL B 58 8.875 5.291 -5.293 1.00 0.00 C ATOM 869 O VAL B 58 8.612 5.912 -6.321 1.00 0.00 O ATOM 870 CB VAL B 58 7.504 3.185 -5.186 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.217 3.319 -6.676 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.666 2.240 -4.942 1.00 0.00 C ATOM 0 H VAL B 58 6.290 5.753 -5.367 1.00 0.00 H new ATOM 0 HA VAL B 58 8.113 4.367 -3.509 1.00 0.00 H new ATOM 0 HB VAL B 58 6.610 2.769 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.026 2.333 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.342 3.953 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.077 3.767 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.456 1.278 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.574 2.662 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.803 2.101 -3.870 1.00 0.00 H new ATOM 882 N ASN B 59 10.093 5.235 -4.766 1.00 0.00 N ATOM 883 CA ASN B 59 11.235 5.977 -5.308 1.00 0.00 C ATOM 884 C ASN B 59 10.934 7.473 -5.295 1.00 0.00 C ATOM 885 O ASN B 59 11.615 8.263 -5.946 1.00 0.00 O ATOM 886 CB ASN B 59 11.575 5.546 -6.741 1.00 0.00 C ATOM 887 CG ASN B 59 11.367 4.069 -6.994 1.00 0.00 C ATOM 888 OD1 ASN B 59 10.233 3.748 -7.592 1.00 0.00 O flip ATOM 889 ND2 ASN B 59 12.217 3.233 -6.682 1.00 0.00 N flip ATOM 0 H ASN B 59 10.321 4.672 -3.947 1.00 0.00 H new ATOM 0 HA ASN B 59 12.095 5.757 -4.675 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.961 6.116 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.614 5.799 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN B 59 13.078 3.528 -6.222 1.00 0.00 H new ATOM 0 HD22 ASN B 59 12.060 2.246 -6.884 1.00 0.00 H new ATOM 896 N GLY B 60 9.902 7.852 -4.551 1.00 0.00 N ATOM 897 CA GLY B 60 9.494 9.231 -4.509 1.00 0.00 C ATOM 898 C GLY B 60 8.390 9.541 -5.505 1.00 0.00 C ATOM 899 O GLY B 60 7.901 10.670 -5.583 1.00 0.00 O ATOM 0 H GLY B 60 9.343 7.222 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.151 9.475 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.354 9.868 -4.715 1.00 0.00 H new ATOM 903 N GLU B 61 8.006 8.528 -6.260 1.00 0.00 N ATOM 904 CA GLU B 61 6.993 8.634 -7.292 1.00 0.00 C ATOM 905 C GLU B 61 5.727 7.977 -6.811 1.00 0.00 C ATOM 906 O GLU B 61 5.717 7.423 -5.741 1.00 0.00 O ATOM 907 CB GLU B 61 7.458 7.917 -8.547 1.00 0.00 C ATOM 908 CG GLU B 61 8.197 8.793 -9.535 1.00 0.00 C ATOM 909 CD GLU B 61 8.504 8.056 -10.818 1.00 0.00 C ATOM 910 OE1 GLU B 61 7.604 7.960 -11.679 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 9.640 7.555 -10.966 1.00 0.00 O ATOM 0 H GLU B 61 8.398 7.590 -6.171 1.00 0.00 H new ATOM 0 HA GLU B 61 6.817 9.687 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.107 7.090 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.591 7.483 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.598 9.676 -9.757 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.126 9.144 -9.086 1.00 0.00 H new ATOM 918 N LYS B 62 4.671 8.013 -7.590 1.00 0.00 N ATOM 919 CA LYS B 62 3.479 7.255 -7.247 1.00 0.00 C ATOM 920 C LYS B 62 3.790 5.760 -7.321 1.00 0.00 C ATOM 921 O LYS B 62 4.832 5.358 -7.842 1.00 0.00 O ATOM 922 CB LYS B 62 2.334 7.618 -8.201 1.00 0.00 C ATOM 923 CG LYS B 62 0.999 6.998 -7.827 1.00 0.00 C ATOM 924 CD LYS B 62 0.398 7.683 -6.616 1.00 0.00 C ATOM 925 CE LYS B 62 -0.042 9.098 -6.946 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.213 9.117 -7.862 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.607 8.550 -8.455 1.00 0.00 H new ATOM 0 HA LYS B 62 3.169 7.501 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.225 8.702 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.600 7.301 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.311 7.073 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.133 5.937 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.456 7.109 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.129 7.706 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.294 9.624 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.786 9.638 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.688 10.040 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.892 8.959 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.879 8.366 -7.590 1.00 0.00 H new ATOM 940 N VAL B 63 2.940 4.954 -6.716 1.00 0.00 N ATOM 941 CA VAL B 63 2.964 3.519 -6.938 1.00 0.00 C ATOM 942 C VAL B 63 1.571 2.942 -6.741 1.00 0.00 C ATOM 943 O VAL B 63 1.243 1.879 -7.267 1.00 0.00 O ATOM 944 CB VAL B 63 3.963 2.794 -6.001 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.523 2.867 -4.547 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.161 1.346 -6.431 1.00 0.00 C ATOM 0 H VAL B 63 2.221 5.268 -6.064 1.00 0.00 H new ATOM 0 HA VAL B 63 3.297 3.356 -7.963 1.00 0.00 H new ATOM 0 HB VAL B 63 4.919 3.311 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.248 2.348 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.458 3.910 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.546 2.395 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.866 0.860 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.206 0.822 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.553 1.319 -7.448 1.00 0.00 H new ATOM 956 N TYR B 64 0.732 3.671 -6.016 1.00 0.00 N ATOM 957 CA TYR B 64 -0.553 3.137 -5.620 1.00 0.00 C ATOM 958 C TYR B 64 -1.502 4.254 -5.217 1.00 0.00 C ATOM 959 O TYR B 64 -1.201 5.058 -4.337 1.00 0.00 O ATOM 960 CB TYR B 64 -0.347 2.169 -4.459 1.00 0.00 C ATOM 961 CG TYR B 64 -1.406 1.104 -4.303 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.639 1.207 -4.930 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.161 -0.016 -3.516 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.597 0.229 -4.774 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.118 -0.996 -3.355 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.333 -0.868 -3.986 1.00 0.00 C ATOM 967 OH TYR B 64 -4.295 -1.830 -3.820 1.00 0.00 O ATOM 0 H TYR B 64 0.920 4.621 -5.696 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.000 2.611 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.619 1.680 -4.584 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.296 2.744 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.851 2.066 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.206 -0.120 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.552 0.323 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.914 -1.858 -2.737 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.897 -2.621 -3.400 1.00 0.00 H new ATOM 977 N THR B 65 -2.634 4.289 -5.881 1.00 0.00 N ATOM 978 CA THR B 65 -3.682 5.253 -5.581 1.00 0.00 C ATOM 979 C THR B 65 -5.009 4.524 -5.418 1.00 0.00 C ATOM 980 O THR B 65 -5.384 3.716 -6.272 1.00 0.00 O ATOM 981 CB THR B 65 -3.819 6.306 -6.698 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.525 6.790 -7.076 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.678 7.474 -6.238 1.00 0.00 C ATOM 0 H THR B 65 -2.860 3.653 -6.645 1.00 0.00 H new ATOM 0 HA THR B 65 -3.413 5.766 -4.658 1.00 0.00 H new ATOM 0 HB THR B 65 -4.299 5.832 -7.554 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.376 6.615 -8.029 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.760 8.204 -7.043 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.672 7.113 -5.973 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.218 7.943 -5.368 1.00 0.00 H new ATOM 991 N PHE B 66 -5.711 4.790 -4.326 1.00 0.00 N ATOM 992 CA PHE B 66 -6.935 4.094 -4.034 1.00 0.00 C ATOM 993 C PHE B 66 -7.870 4.929 -3.185 1.00 0.00 C ATOM 994 O PHE B 66 -7.604 6.088 -2.858 1.00 0.00 O ATOM 995 CB PHE B 66 -6.656 2.756 -3.335 1.00 0.00 C ATOM 996 CG PHE B 66 -5.483 2.722 -2.408 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.110 3.795 -1.621 1.00 0.00 C ATOM 998 CD2 PHE B 66 -4.754 1.566 -2.340 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.017 3.695 -0.783 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -3.665 1.455 -1.511 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.292 2.520 -0.730 1.00 0.00 C ATOM 0 H PHE B 66 -5.444 5.487 -3.631 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.423 3.901 -4.989 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.545 2.473 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.508 1.995 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -5.675 4.715 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.041 0.723 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.729 4.535 -0.169 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.104 0.533 -1.474 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.436 2.440 -0.077 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.960 4.290 -2.850 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.048 4.873 -2.096 1.00 0.00 C ATOM 1013 C ASN B 67 -10.673 3.784 -1.236 1.00 0.00 C ATOM 1014 O ASN B 67 -10.685 2.614 -1.632 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.081 5.435 -3.070 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.307 5.974 -2.378 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.285 7.253 -2.070 1.00 0.00 O flip ATOM 1018 ND2 ASN B 67 -13.260 5.244 -2.127 1.00 0.00 N flip ATOM 0 H ASN B 67 -9.124 3.315 -3.102 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.688 5.680 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.623 6.230 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.378 4.652 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -13.229 4.258 -2.386 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -14.083 5.623 -1.659 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.203 4.162 -0.075 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.676 3.189 0.900 1.00 0.00 C ATOM 1027 C GLU B 68 -12.888 2.406 0.402 1.00 0.00 C ATOM 1028 O GLU B 68 -13.173 1.316 0.892 1.00 0.00 O ATOM 1029 CB GLU B 68 -12.005 3.891 2.205 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.853 3.917 3.196 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.568 4.508 2.648 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.855 3.811 1.901 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -9.254 5.666 3.001 1.00 0.00 O1- ATOM 0 H GLU B 68 -11.315 5.135 0.211 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.875 2.467 1.059 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.309 4.915 1.989 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -12.859 3.396 2.668 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -11.157 4.489 4.073 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.656 2.899 3.532 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.592 2.959 -0.572 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.754 2.305 -1.151 1.00 0.00 C ATOM 1042 C LYS B 69 -14.353 1.551 -2.414 1.00 0.00 C ATOM 1043 O LYS B 69 -15.043 0.634 -2.855 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.825 3.341 -1.476 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.159 2.742 -1.889 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.194 3.827 -2.119 1.00 0.00 C ATOM 1047 CE LYS B 69 -19.565 3.242 -2.400 1.00 0.00 C ATOM 1048 NZ LYS B 69 -20.565 4.301 -2.688 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.376 3.868 -0.981 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.158 1.594 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.978 3.976 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.463 3.984 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.032 2.156 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.509 2.058 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -18.246 4.472 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.886 4.452 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.503 2.560 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -19.893 2.655 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -21.490 3.864 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -20.642 4.937 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -20.264 4.845 -3.522 1.00 0.00 H new ATOM 1062 N SER B 70 -13.224 1.948 -2.988 1.00 0.00 N ATOM 1063 CA SER B 70 -12.654 1.253 -4.133 1.00 0.00 C ATOM 1064 C SER B 70 -12.124 -0.111 -3.695 1.00 0.00 C ATOM 1065 O SER B 70 -12.015 -1.031 -4.505 1.00 0.00 O ATOM 1066 CB SER B 70 -11.537 2.101 -4.753 1.00 0.00 C ATOM 1067 OG SER B 70 -10.693 1.332 -5.584 1.00 0.00 O ATOM 0 H SER B 70 -12.682 2.754 -2.676 1.00 0.00 H new ATOM 0 HA SER B 70 -13.425 1.098 -4.887 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.976 2.913 -5.333 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.946 2.560 -3.960 1.00 0.00 H new ATOM 0 HG SER B 70 -9.995 1.906 -5.962 1.00 0.00 H new ATOM 1073 N THR B 71 -11.817 -0.217 -2.401 1.00 0.00 N ATOM 1074 CA THR B 71 -11.408 -1.452 -1.755 1.00 0.00 C ATOM 1075 C THR B 71 -10.111 -2.001 -2.346 1.00 0.00 C ATOM 1076 O THR B 71 -10.074 -2.540 -3.456 1.00 0.00 O ATOM 1077 CB THR B 71 -12.533 -2.503 -1.775 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.712 -3.067 -3.081 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.840 -1.881 -1.319 1.00 0.00 C ATOM 0 H THR B 71 -11.849 0.578 -1.762 1.00 0.00 H new ATOM 0 HA THR B 71 -11.206 -1.215 -0.710 1.00 0.00 H new ATOM 0 HB THR B 71 -12.241 -3.301 -1.093 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.150 -2.587 -3.724 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.628 -2.634 -1.338 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.727 -1.499 -0.304 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.106 -1.062 -1.987 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.046 -1.871 -1.566 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.696 -2.132 -2.042 1.00 0.00 C ATOM 1089 C VAL B 72 -7.483 -3.592 -2.430 1.00 0.00 C ATOM 1090 O VAL B 72 -6.523 -3.908 -3.120 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.645 -1.727 -0.990 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.903 -0.313 -0.490 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.630 -2.711 0.161 1.00 0.00 C ATOM 0 H VAL B 72 -9.094 -1.583 -0.589 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.570 -1.522 -2.937 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.663 -1.746 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.150 -0.046 0.252 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.851 0.384 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.893 -0.262 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -5.881 -2.405 0.891 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.611 -2.732 0.635 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.387 -3.705 -0.214 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.372 -4.473 -1.991 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.243 -5.880 -2.319 1.00 0.00 C ATOM 1105 C GLY B 73 -8.227 -6.122 -3.816 1.00 0.00 C ATOM 1106 O GLY B 73 -7.352 -6.815 -4.335 1.00 0.00 O ATOM 0 H GLY B 73 -9.180 -4.239 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.325 -6.271 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.070 -6.432 -1.873 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.182 -5.521 -4.512 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.283 -5.673 -5.959 1.00 0.00 C ATOM 1112 C ASN B 74 -8.215 -4.844 -6.660 1.00 0.00 C ATOM 1113 O ASN B 74 -7.755 -5.184 -7.754 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.671 -5.252 -6.456 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.780 -6.124 -5.935 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.602 -7.315 -5.678 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.941 -5.525 -5.770 1.00 0.00 N ATOM 0 H ASN B 74 -9.898 -4.924 -4.099 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.129 -6.726 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.859 -4.221 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.681 -5.275 -7.546 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.740 -6.050 -5.416 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.041 -4.536 -5.997 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.816 -3.752 -6.028 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.824 -2.863 -6.617 1.00 0.00 C ATOM 1126 C ILE B 75 -5.440 -3.496 -6.566 1.00 0.00 C ATOM 1127 O ILE B 75 -4.721 -3.511 -7.562 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.760 -1.505 -5.900 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.135 -1.087 -5.388 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.211 -0.450 -6.848 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.094 0.162 -4.556 1.00 0.00 C ATOM 0 H ILE B 75 -8.160 -3.460 -5.113 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.132 -2.700 -7.650 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.097 -1.601 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.801 -0.930 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.559 -1.898 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.167 0.511 -6.336 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.210 -0.736 -7.170 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.862 -0.368 -7.718 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.101 0.409 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.452 0.001 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.698 0.984 -5.153 1.00 0.00 H new ATOM 1143 N SER B 76 -5.086 -4.016 -5.393 1.00 0.00 N ATOM 1144 CA SER B 76 -3.779 -4.653 -5.167 1.00 0.00 C ATOM 1145 C SER B 76 -3.499 -5.717 -6.222 1.00 0.00 C ATOM 1146 O SER B 76 -2.353 -5.905 -6.643 1.00 0.00 O ATOM 1147 CB SER B 76 -3.715 -5.278 -3.770 1.00 0.00 C ATOM 1148 OG SER B 76 -3.968 -4.313 -2.762 1.00 0.00 O ATOM 0 H SER B 76 -5.691 -4.011 -4.571 1.00 0.00 H new ATOM 0 HA SER B 76 -3.016 -3.878 -5.243 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.445 -6.084 -3.696 1.00 0.00 H new ATOM 0 HB3 SER B 76 -2.732 -5.722 -3.613 1.00 0.00 H new ATOM 0 HG SER B 76 -4.935 -4.225 -2.629 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.558 -6.403 -6.635 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.499 -7.351 -7.743 1.00 0.00 C ATOM 1156 C ASN B 77 -3.801 -6.725 -8.936 1.00 0.00 C ATOM 1157 O ASN B 77 -2.787 -7.221 -9.428 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.919 -7.722 -8.153 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.974 -8.798 -9.221 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.093 -9.653 -9.317 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.021 -8.770 -10.027 1.00 0.00 N ATOM 0 H ASN B 77 -5.482 -6.318 -6.212 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.946 -8.234 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.466 -8.064 -7.274 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.429 -6.831 -8.519 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.120 -9.473 -10.760 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.731 -8.046 -9.916 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.366 -5.621 -9.381 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.837 -4.887 -10.530 1.00 0.00 C ATOM 1170 C ASP B 78 -2.511 -4.194 -10.223 1.00 0.00 C ATOM 1171 O ASP B 78 -1.644 -4.120 -11.084 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.855 -3.866 -11.037 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.884 -4.493 -11.954 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.511 -4.927 -13.066 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -7.070 -4.560 -11.569 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.199 -5.204 -8.965 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.647 -5.625 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.360 -3.406 -10.188 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.335 -3.069 -11.568 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.353 -3.691 -9.005 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.126 -3.004 -8.599 1.00 0.00 C ATOM 1182 C ILE B 79 0.097 -3.905 -8.735 1.00 0.00 C ATOM 1183 O ILE B 79 1.219 -3.442 -8.936 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.256 -2.492 -7.173 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.413 -1.521 -7.155 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.027 -1.823 -6.690 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.197 -0.273 -7.991 1.00 0.00 C ATOM 0 H ILE B 79 -3.063 -3.745 -8.274 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.983 -2.156 -9.269 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.435 -3.324 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.307 -2.033 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.606 -1.224 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.109 -1.472 -5.667 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.846 -2.542 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.262 -0.977 -7.336 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.076 0.368 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.324 0.266 -7.622 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -2.036 -0.555 -9.031 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.140 -5.204 -8.663 1.00 0.00 N ATOM 1200 CA ASN B 80 0.925 -6.196 -8.823 1.00 0.00 C ATOM 1201 C ASN B 80 1.461 -6.253 -10.262 1.00 0.00 C ATOM 1202 O ASN B 80 2.298 -7.098 -10.582 1.00 0.00 O ATOM 1203 CB ASN B 80 0.439 -7.581 -8.385 1.00 0.00 C ATOM 1204 CG ASN B 80 0.801 -7.893 -6.944 1.00 0.00 C ATOM 1205 OD1 ASN B 80 1.851 -8.473 -6.670 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -0.061 -7.516 -6.012 1.00 0.00 N ATOM 0 H ASN B 80 -1.063 -5.604 -8.494 1.00 0.00 H new ATOM 0 HA ASN B 80 1.749 -5.884 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.643 -7.638 -8.505 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.873 -8.338 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN B 80 0.136 -7.705 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -0.922 -7.037 -6.277 1.00 0.00 H new ATOM 1213 N LYS B 81 0.976 -5.361 -11.126 1.00 0.00 N ATOM 1214 CA LYS B 81 1.472 -5.267 -12.497 1.00 0.00 C ATOM 1215 C LYS B 81 2.369 -4.037 -12.658 1.00 0.00 C ATOM 1216 O LYS B 81 2.913 -3.783 -13.731 1.00 0.00 O ATOM 1217 CB LYS B 81 0.303 -5.161 -13.487 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.240 -3.747 -13.636 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.317 -3.640 -14.703 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.691 -4.047 -14.187 1.00 0.00 C ATOM 1221 NZ LYS B 81 -2.810 -5.508 -13.944 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.239 -4.693 -10.899 1.00 0.00 H new ATOM 0 HA LYS B 81 2.047 -6.169 -12.707 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.630 -5.521 -14.463 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.502 -5.818 -13.158 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.647 -3.416 -12.681 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.579 -3.072 -13.884 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.359 -2.615 -15.070 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -1.049 -4.271 -15.550 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -2.898 -3.512 -13.260 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -3.449 -3.741 -14.908 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -3.810 -5.788 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -2.269 -6.025 -14.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -2.434 -5.735 -13.001 1.00 0.00 H new ATOM 1235 N LEU B 82 2.529 -3.286 -11.575 1.00 0.00 N ATOM 1236 CA LEU B 82 3.170 -1.972 -11.626 1.00 0.00 C ATOM 1237 C LEU B 82 4.684 -2.079 -11.669 1.00 0.00 C ATOM 1238 O LEU B 82 5.379 -1.074 -11.817 1.00 0.00 O ATOM 1239 CB LEU B 82 2.765 -1.140 -10.403 1.00 0.00 C ATOM 1240 CG LEU B 82 1.494 -0.291 -10.538 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.789 0.985 -11.310 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.379 -1.066 -11.223 1.00 0.00 C ATOM 0 H LEU B 82 2.222 -3.565 -10.643 1.00 0.00 H new ATOM 0 HA LEU B 82 2.834 -1.486 -12.542 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.634 -1.817 -9.559 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.593 -0.476 -10.154 1.00 0.00 H new ATOM 0 HG LEU B 82 1.160 -0.033 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.878 1.576 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.547 1.563 -10.782 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.154 0.732 -12.305 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.507 -0.436 -11.303 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.703 -1.364 -12.220 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.141 -1.954 -10.638 1.00 0.00 H new ATOM 1254 N ASN B 83 5.180 -3.308 -11.561 1.00 0.00 N ATOM 1255 CA ASN B 83 6.597 -3.558 -11.375 1.00 0.00 C ATOM 1256 C ASN B 83 7.072 -2.743 -10.180 1.00 0.00 C ATOM 1257 O ASN B 83 7.950 -1.888 -10.293 1.00 0.00 O ATOM 1258 CB ASN B 83 7.376 -3.206 -12.647 1.00 0.00 C ATOM 1259 CG ASN B 83 8.802 -3.755 -12.685 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.460 -3.859 -11.539 1.00 0.00 O flip ATOM 1261 ND2 ASN B 83 9.315 -4.069 -13.760 1.00 0.00 N flip ATOM 0 H ASN B 83 4.610 -4.153 -11.600 1.00 0.00 H new ATOM 0 HA ASN B 83 6.773 -4.616 -11.179 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.830 -3.586 -13.510 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.414 -2.121 -12.747 1.00 0.00 H new ATOM 0 HD21 ASN B 83 8.783 -3.978 -14.625 1.00 0.00 H new ATOM 0 HD22 ASN B 83 10.272 -4.421 -13.785 1.00 0.00 H new ATOM 1268 N ILE B 84 6.448 -3.010 -9.039 1.00 0.00 N ATOM 1269 CA ILE B 84 6.697 -2.268 -7.815 1.00 0.00 C ATOM 1270 C ILE B 84 8.171 -2.315 -7.435 1.00 0.00 C ATOM 1271 O ILE B 84 8.903 -3.225 -7.834 1.00 0.00 O ATOM 1272 CB ILE B 84 5.830 -2.837 -6.671 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.367 -2.764 -7.076 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.047 -2.082 -5.363 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.466 -3.630 -6.232 1.00 0.00 C ATOM 0 H ILE B 84 5.753 -3.750 -8.939 1.00 0.00 H new ATOM 0 HA ILE B 84 6.428 -1.225 -7.984 1.00 0.00 H new ATOM 0 HB ILE B 84 6.124 -3.873 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.031 -1.729 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.272 -3.063 -8.120 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.418 -2.514 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.094 -2.158 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.784 -1.033 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.437 -3.529 -6.577 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.777 -4.671 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.532 -3.317 -5.190 1.00 0.00 H new ATOM 1287 N LYS B 85 8.600 -1.325 -6.680 1.00 0.00 N ATOM 1288 CA LYS B 85 9.989 -1.226 -6.273 1.00 0.00 C ATOM 1289 C LYS B 85 10.097 -0.890 -4.805 1.00 0.00 C ATOM 1290 O LYS B 85 9.104 -0.857 -4.081 1.00 0.00 O ATOM 1291 CB LYS B 85 10.718 -0.164 -7.093 1.00 0.00 C ATOM 1292 CG LYS B 85 10.719 -0.473 -8.566 1.00 0.00 C ATOM 1293 CD LYS B 85 11.450 0.580 -9.379 1.00 0.00 C ATOM 1294 CE LYS B 85 11.558 0.175 -10.843 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.347 -1.074 -11.022 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.004 -0.573 -6.333 1.00 0.00 H new ATOM 0 HA LYS B 85 10.455 -2.195 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.246 0.805 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.747 -0.081 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.187 -1.444 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.691 -0.551 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS B 85 10.925 1.532 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.448 0.732 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS B 85 10.558 0.034 -11.254 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.024 0.982 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.641 -1.160 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.190 -1.042 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 11.763 -1.894 -10.762 1.00 0.00 H new ATOM 1309 N GLY B 86 11.310 -0.615 -4.397 1.00 0.00 N ATOM 1310 CA GLY B 86 11.573 -0.272 -3.014 1.00 0.00 C ATOM 1311 C GLY B 86 12.747 0.675 -2.892 1.00 0.00 C ATOM 1312 O GLY B 86 13.883 0.297 -3.179 1.00 0.00 O ATOM 0 H GLY B 86 12.134 -0.621 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.686 0.187 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.775 -1.179 -2.445 1.00 0.00 H new ATOM 1316 N MET B 87 12.473 1.907 -2.470 1.00 0.00 N ATOM 1317 CA MET B 87 13.488 2.910 -2.312 1.00 0.00 C ATOM 1318 C MET B 87 12.992 4.020 -1.382 1.00 0.00 C ATOM 1319 O MET B 87 13.379 4.078 -0.218 1.00 0.00 O ATOM 1320 CB MET B 87 13.861 3.484 -3.671 1.00 0.00 C ATOM 1321 CG MET B 87 14.587 4.790 -3.548 1.00 0.00 C ATOM 1322 SD MET B 87 15.189 5.420 -5.124 1.00 0.00 S ATOM 1323 CE MET B 87 15.971 6.944 -4.602 1.00 0.00 C ATOM 0 H MET B 87 11.534 2.225 -2.231 1.00 0.00 H new ATOM 0 HA MET B 87 14.373 2.455 -1.867 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.487 2.770 -4.207 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.958 3.625 -4.265 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.921 5.527 -3.100 1.00 0.00 H new ATOM 0 HG3 MET B 87 15.430 4.667 -2.868 1.00 0.00 H new ATOM 0 HE1 MET B 87 16.393 7.452 -5.469 1.00 0.00 H new ATOM 0 HE2 MET B 87 15.231 7.589 -4.129 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.765 6.720 -3.890 1.00 0.00 H new ATOM 1333 N TYR B 88 12.128 4.892 -1.899 1.00 0.00 N ATOM 1334 CA TYR B 88 11.558 5.963 -1.105 1.00 0.00 C ATOM 1335 C TYR B 88 10.046 5.812 -1.083 1.00 0.00 C ATOM 1336 O TYR B 88 9.351 6.244 -2.005 1.00 0.00 O ATOM 1337 CB TYR B 88 11.962 7.320 -1.688 1.00 0.00 C ATOM 1338 CG TYR B 88 11.591 8.507 -0.825 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.353 9.121 -0.949 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.487 9.019 0.104 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.017 10.210 -0.172 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.157 10.110 0.885 1.00 0.00 C ATOM 1343 CZ TYR B 88 10.921 10.702 0.742 1.00 0.00 C ATOM 1344 OH TYR B 88 10.587 11.791 1.516 1.00 0.00 O ATOM 0 H TYR B 88 11.811 4.872 -2.868 1.00 0.00 H new ATOM 0 HA TYR B 88 11.936 5.909 -0.084 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.040 7.326 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.493 7.436 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.641 8.740 -1.666 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.457 8.557 0.218 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.048 10.675 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR B 88 12.864 10.497 1.604 1.00 0.00 H new ATOM 0 HH TYR B 88 11.334 12.012 2.110 1.00 0.00 H new ATOM 1354 N ILE B 89 9.556 5.146 -0.053 1.00 0.00 N ATOM 1355 CA ILE B 89 8.134 4.868 0.080 1.00 0.00 C ATOM 1356 C ILE B 89 7.464 5.907 0.969 1.00 0.00 C ATOM 1357 O ILE B 89 7.941 6.195 2.068 1.00 0.00 O ATOM 1358 CB ILE B 89 7.888 3.469 0.690 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.758 2.409 0.010 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.416 3.091 0.595 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.465 2.236 -1.458 1.00 0.00 C ATOM 0 H ILE B 89 10.127 4.784 0.711 1.00 0.00 H new ATOM 0 HA ILE B 89 7.707 4.904 -0.922 1.00 0.00 H new ATOM 0 HB ILE B 89 8.167 3.511 1.743 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.807 2.679 0.133 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.613 1.454 0.515 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.265 2.103 1.030 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.817 3.822 1.138 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.111 3.077 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.120 1.469 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.426 1.935 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.638 3.179 -1.977 1.00 0.00 H new ATOM 1373 N GLU B 90 6.360 6.465 0.496 1.00 0.00 N ATOM 1374 CA GLU B 90 5.604 7.438 1.271 1.00 0.00 C ATOM 1375 C GLU B 90 4.158 7.010 1.444 1.00 0.00 C ATOM 1376 O GLU B 90 3.619 6.256 0.632 1.00 0.00 O ATOM 1377 CB GLU B 90 5.648 8.813 0.615 1.00 0.00 C ATOM 1378 CG GLU B 90 6.920 9.587 0.900 1.00 0.00 C ATOM 1379 CD GLU B 90 7.119 9.841 2.378 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.295 10.565 2.976 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 8.090 9.311 2.958 1.00 0.00 O ATOM 0 H GLU B 90 5.967 6.260 -0.423 1.00 0.00 H new ATOM 0 HA GLU B 90 6.072 7.494 2.254 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.540 8.694 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.794 9.397 0.959 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.774 9.033 0.511 1.00 0.00 H new ATOM 0 HG3 GLU B 90 6.889 10.539 0.371 1.00 0.00 H new ATOM 1388 N ILE B 91 3.544 7.507 2.507 1.00 0.00 N ATOM 1389 CA ILE B 91 2.152 7.232 2.816 1.00 0.00 C ATOM 1390 C ILE B 91 1.468 8.510 3.274 1.00 0.00 C ATOM 1391 O ILE B 91 1.945 9.175 4.197 1.00 0.00 O ATOM 1392 CB ILE B 91 2.025 6.172 3.931 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.475 4.799 3.426 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.603 6.113 4.476 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.471 3.733 4.498 1.00 0.00 C ATOM 0 H ILE B 91 4.003 8.117 3.184 1.00 0.00 H new ATOM 0 HA ILE B 91 1.677 6.849 1.913 1.00 0.00 H new ATOM 0 HB ILE B 91 2.682 6.466 4.750 1.00 0.00 H new ATOM 0 HG12 ILE B 91 1.821 4.487 2.612 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.480 4.884 3.012 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.545 5.358 5.260 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.331 7.085 4.888 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.085 5.854 3.671 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.800 2.786 4.071 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.147 4.023 5.302 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.462 3.620 4.895 1.00 0.00 H new ATOM 1407 N LYS B 92 0.360 8.855 2.632 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.374 10.068 2.971 1.00 0.00 C ATOM 1409 C LYS B 92 -1.693 10.142 2.220 1.00 0.00 C ATOM 1410 O LYS B 92 -1.920 9.405 1.262 1.00 0.00 O ATOM 1411 CB LYS B 92 0.459 11.297 2.630 1.00 0.00 C ATOM 1412 CG LYS B 92 0.744 11.422 1.148 1.00 0.00 C ATOM 1413 CD LYS B 92 1.831 12.449 0.880 1.00 0.00 C ATOM 1414 CE LYS B 92 1.958 12.766 -0.601 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.935 13.857 -0.850 1.00 0.00 N1+ ATOM 0 H LYS B 92 -0.051 8.312 1.873 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.579 10.042 4.041 1.00 0.00 H new ATOM 0 HB2 LYS B 92 -0.064 12.190 2.971 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.403 11.253 3.174 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.050 10.454 0.751 1.00 0.00 H new ATOM 0 HG3 LYS B 92 -0.167 11.708 0.623 1.00 0.00 H new ATOM 0 HD2 LYS B 92 1.609 13.364 1.429 1.00 0.00 H new ATOM 0 HD3 LYS B 92 2.784 12.075 1.254 1.00 0.00 H new ATOM 0 HE2 LYS B 92 2.268 11.870 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS B 92 0.984 13.054 -0.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 2.994 14.044 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 2.626 14.719 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 3.871 13.573 -0.496 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.536 11.063 2.657 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.841 11.287 2.064 1.00 0.00 C ATOM 1431 C GLN B 93 -3.781 12.434 1.066 1.00 0.00 C ATOM 1432 O GLN B 93 -2.951 13.338 1.185 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.887 11.581 3.151 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.649 12.868 3.944 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.430 12.811 4.852 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.285 13.259 4.351 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 -3.517 12.380 6.002 1.00 0.00 N flip ATOM 0 H GLN B 93 -2.330 11.682 3.441 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.137 10.380 1.536 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.870 11.636 2.683 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.912 10.742 3.847 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.533 13.698 3.247 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -5.531 13.080 4.548 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -4.413 12.044 6.354 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.693 12.359 6.603 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.653 12.377 0.081 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.715 13.381 -0.959 1.00 0.00 C ATOM 1448 C ILE B 94 -6.052 14.113 -0.934 1.00 0.00 C ATOM 1449 O ILE B 94 -6.082 15.264 -0.451 1.00 0.00 O ATOM 1450 CB ILE B 94 -4.470 12.734 -2.335 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.182 11.383 -2.412 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.980 12.552 -2.551 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.026 10.679 -3.742 1.00 0.00 C ATOM 1454 OXT ILE B 94 -7.072 13.525 -1.352 1.00 0.00 O ATOM 0 H ILE B 94 -5.341 11.630 -0.021 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.932 14.116 -0.775 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.868 13.383 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.798 10.736 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -6.243 11.532 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.807 12.094 -3.525 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -2.486 13.523 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.575 11.908 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.560 9.729 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.437 11.304 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.969 10.496 -3.935 1.00 0.00 H new TER 1466 ILE B 94