USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=32 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 152:sc= 0.228 USER MOD Set 1.2: B 76 SER OG : rot 81:sc= 1.55 USER MOD Set 2.1: B 62 LYS NZ :NH3+ 153:sc= 1.11 (180deg=-0.29) USER MOD Set 2.2: B 65 THR OG1 : rot 131:sc= 0.634 USER MOD Set 3.1: B 42 ASN : amide:sc= 0.537 K(o=2.7,f=2.1) USER MOD Set 3.2: B 71 THR OG1 : rot -14:sc= 1.56 USER MOD Set 3.3: B 74 ASN : amide:sc= 0.655 K(o=2.7,f=2.1) USER MOD Set 4.1: B 37 LYS NZ :NH3+ 180:sc= 0.722 (180deg=0) USER MOD Set 4.2: B 80 ASN : amide:sc= -0.0604 K(o=0.66,f=-4.9!) USER MOD Set 5.1: B 32 ASN : amide:sc= 0.338 X(o=-0.24,f=-0.013) USER MOD Set 5.2: B 35 GLN : amide:sc= -0.576 X(o=-0.24,f=-0.013) USER MOD Single : B 1 ASP N :NH3+ -128:sc= 0.134 (180deg=-0.00143) USER MOD Single : B 2 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 10 MET CE :methyl -143:sc= -0.225 (180deg=-2.14) USER MOD Single : B 11 ASN : amide:sc= -0.0793 K(o=-0.079,f=-0.73) USER MOD Single : B 12 SER OG : rot 180:sc= -0.245 USER MOD Single : B 14 ASN :FLIP amide:sc= -0.122 F(o=-0.65,f=-0.12) USER MOD Single : B 15 SER OG : rot 93:sc= 0.0108 USER MOD Single : B 17 ASN : amide:sc= -0.891! X(o=-0.89!,f=-0.39) USER MOD Single : B 19 LYS NZ :NH3+ -179:sc= 0.695 (180deg=0.695) USER MOD Single : B 21 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.74) USER MOD Single : B 22 LYS NZ :NH3+ 167:sc=-0.00168 (180deg=-0.121) USER MOD Single : B 24 LYS NZ :NH3+ 173:sc= 1.43 (180deg=1.09) USER MOD Single : B 26 LYS NZ :NH3+ -168:sc=-0.00641 (180deg=-0.122) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 159:sc= -0.186 (180deg=-0.776) USER MOD Single : B 34 ASN : amide:sc= -0.372! C(o=-0.37!,f=-2.8!) USER MOD Single : B 39 THR OG1 : rot 180:sc= -1.54! USER MOD Single : B 40 SER OG : rot 180:sc= -0.524 USER MOD Single : B 41 SER OG : rot 180:sc= -0.103 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.0182 USER MOD Single : B 49 TYR OH : rot 165:sc= -0.962 USER MOD Single : B 52 LYS NZ :NH3+ -170:sc= -0.0194 (180deg=-0.166) USER MOD Single : B 53 ASN : amide:sc= 0.085 K(o=0.085,f=-0.62) USER MOD Single : B 59 ASN : amide:sc= -3.75! C(o=-3.7!,f=-4.3!) USER MOD Single : B 67 ASN :FLIP amide:sc= -0.0237 F(o=-2,f=-0.024) USER MOD Single : B 69 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.1) USER MOD Single : B 70 SER OG : rot 180:sc= -0.0595 USER MOD Single : B 77 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.7!) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 ASN :FLIP amide:sc= -0.278 F(o=-1.3,f=-0.28) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl -150:sc= -0.166 (180deg=-0.719) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 172:sc= 0.898 (180deg=0.363) USER MOD Single : B 93 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 22.545 6.097 14.616 1.00 0.00 N ATOM 2 CA ASP B 1 22.612 5.583 13.226 1.00 0.00 C ATOM 3 C ASP B 1 21.834 4.282 13.113 1.00 0.00 C ATOM 4 O ASP B 1 21.147 3.892 14.058 1.00 0.00 O ATOM 5 CB ASP B 1 24.067 5.363 12.802 1.00 0.00 C ATOM 6 CG ASP B 1 24.840 6.661 12.697 1.00 0.00 C ATOM 7 OD1 ASP B 1 25.292 7.172 13.740 1.00 0.00 O1- ATOM 8 OD2 ASP B 1 24.986 7.183 11.571 1.00 0.00 O ATOM 0 H1 ASP B 1 22.230 7.088 14.605 1.00 0.00 H new ATOM 0 H2 ASP B 1 21.872 5.526 15.165 1.00 0.00 H new ATOM 0 H3 ASP B 1 23.487 6.038 15.054 1.00 0.00 H new ATOM 0 HA ASP B 1 22.166 6.323 12.562 1.00 0.00 H new ATOM 0 HB2 ASP B 1 24.558 4.708 13.522 1.00 0.00 H new ATOM 0 HB3 ASP B 1 24.089 4.851 11.840 1.00 0.00 H new ATOM 15 N ASN B 2 21.941 3.625 11.952 1.00 0.00 N ATOM 16 CA ASN B 2 21.250 2.359 11.669 1.00 0.00 C ATOM 17 C ASN B 2 19.740 2.559 11.514 1.00 0.00 C ATOM 18 O ASN B 2 19.171 2.258 10.463 1.00 0.00 O ATOM 19 CB ASN B 2 21.548 1.324 12.758 1.00 0.00 C ATOM 20 CG ASN B 2 20.888 -0.019 12.496 1.00 0.00 C ATOM 21 OD1 ASN B 2 20.676 -0.414 11.348 1.00 0.00 O ATOM 22 ND2 ASN B 2 20.552 -0.727 13.562 1.00 0.00 N ATOM 0 H ASN B 2 22.513 3.958 11.176 1.00 0.00 H new ATOM 0 HA ASN B 2 21.631 1.984 10.719 1.00 0.00 H new ATOM 0 HB2 ASN B 2 22.626 1.184 12.834 1.00 0.00 H new ATOM 0 HB3 ASN B 2 21.208 1.708 13.720 1.00 0.00 H new ATOM 0 HD21 ASN B 2 20.100 -1.635 13.450 1.00 0.00 H new ATOM 0 HD22 ASN B 2 20.745 -0.365 14.496 1.00 0.00 H new ATOM 29 N GLN B 3 19.102 3.080 12.554 1.00 0.00 N ATOM 30 CA GLN B 3 17.666 3.332 12.547 1.00 0.00 C ATOM 31 C GLN B 3 17.306 4.527 11.665 1.00 0.00 C ATOM 32 O GLN B 3 16.133 4.867 11.512 1.00 0.00 O ATOM 33 CB GLN B 3 17.190 3.576 13.976 1.00 0.00 C ATOM 34 CG GLN B 3 17.888 4.738 14.660 1.00 0.00 C ATOM 35 CD GLN B 3 17.400 4.960 16.074 1.00 0.00 C ATOM 36 OE1 GLN B 3 16.476 5.736 16.310 1.00 0.00 O ATOM 37 NE2 GLN B 3 18.009 4.274 17.024 1.00 0.00 N ATOM 0 H GLN B 3 19.564 3.340 13.425 1.00 0.00 H new ATOM 0 HA GLN B 3 17.168 2.456 12.132 1.00 0.00 H new ATOM 0 HB2 GLN B 3 16.116 3.764 13.965 1.00 0.00 H new ATOM 0 HB3 GLN B 3 17.350 2.671 14.563 1.00 0.00 H new ATOM 0 HG2 GLN B 3 18.962 4.553 14.675 1.00 0.00 H new ATOM 0 HG3 GLN B 3 17.729 5.646 14.078 1.00 0.00 H new ATOM 0 HE21 GLN B 3 18.772 3.640 16.786 1.00 0.00 H new ATOM 0 HE22 GLN B 3 17.716 4.378 17.996 1.00 0.00 H new ATOM 46 N LYS B 4 18.316 5.175 11.105 1.00 0.00 N ATOM 47 CA LYS B 4 18.099 6.291 10.210 1.00 0.00 C ATOM 48 C LYS B 4 17.857 5.777 8.792 1.00 0.00 C ATOM 49 O LYS B 4 17.031 6.315 8.053 1.00 0.00 O ATOM 50 CB LYS B 4 19.319 7.211 10.247 1.00 0.00 C ATOM 51 CG LYS B 4 18.987 8.683 10.104 1.00 0.00 C ATOM 52 CD LYS B 4 18.453 9.020 8.722 1.00 0.00 C ATOM 53 CE LYS B 4 18.057 10.481 8.621 1.00 0.00 C ATOM 54 NZ LYS B 4 17.543 10.828 7.271 1.00 0.00 N1+ ATOM 0 H LYS B 4 19.297 4.942 11.258 1.00 0.00 H new ATOM 0 HA LYS B 4 17.221 6.853 10.527 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.848 7.058 11.188 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.002 6.924 9.447 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.248 8.961 10.855 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.880 9.276 10.301 1.00 0.00 H new ATOM 0 HD2 LYS B 4 19.212 8.795 7.973 1.00 0.00 H new ATOM 0 HD3 LYS B 4 17.590 8.392 8.501 1.00 0.00 H new ATOM 0 HE2 LYS B 4 17.294 10.702 9.367 1.00 0.00 H new ATOM 0 HE3 LYS B 4 18.919 11.107 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 17.284 11.835 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.280 10.642 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 16.705 10.250 7.060 1.00 0.00 H new ATOM 68 N ALA B 5 18.563 4.712 8.434 1.00 0.00 N ATOM 69 CA ALA B 5 18.477 4.142 7.097 1.00 0.00 C ATOM 70 C ALA B 5 17.249 3.245 6.951 1.00 0.00 C ATOM 71 O ALA B 5 17.365 2.054 6.664 1.00 0.00 O ATOM 72 CB ALA B 5 19.746 3.367 6.777 1.00 0.00 C ATOM 0 H ALA B 5 19.206 4.223 9.057 1.00 0.00 H new ATOM 0 HA ALA B 5 18.373 4.961 6.386 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.671 2.945 5.775 1.00 0.00 H new ATOM 0 HB2 ALA B 5 20.604 4.038 6.825 1.00 0.00 H new ATOM 0 HB3 ALA B 5 19.873 2.562 7.501 1.00 0.00 H new ATOM 78 N LEU B 6 16.073 3.826 7.142 1.00 0.00 N ATOM 79 CA LEU B 6 14.823 3.094 6.987 1.00 0.00 C ATOM 80 C LEU B 6 14.240 3.328 5.600 1.00 0.00 C ATOM 81 O LEU B 6 13.046 3.142 5.376 1.00 0.00 O ATOM 82 CB LEU B 6 13.812 3.515 8.059 1.00 0.00 C ATOM 83 CG LEU B 6 14.238 3.248 9.504 1.00 0.00 C ATOM 84 CD1 LEU B 6 13.168 3.735 10.468 1.00 0.00 C ATOM 85 CD2 LEU B 6 14.518 1.767 9.721 1.00 0.00 C ATOM 0 H LEU B 6 15.958 4.805 7.405 1.00 0.00 H new ATOM 0 HA LEU B 6 15.034 2.031 7.107 1.00 0.00 H new ATOM 0 HB2 LEU B 6 13.613 4.581 7.948 1.00 0.00 H new ATOM 0 HB3 LEU B 6 12.873 2.994 7.873 1.00 0.00 H new ATOM 0 HG LEU B 6 15.158 3.799 9.698 1.00 0.00 H new ATOM 0 HD11 LEU B 6 13.485 3.539 11.492 1.00 0.00 H new ATOM 0 HD12 LEU B 6 13.018 4.806 10.334 1.00 0.00 H new ATOM 0 HD13 LEU B 6 12.234 3.210 10.270 1.00 0.00 H new ATOM 0 HD21 LEU B 6 14.819 1.601 10.755 1.00 0.00 H new ATOM 0 HD22 LEU B 6 13.617 1.191 9.509 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.319 1.447 9.054 1.00 0.00 H new ATOM 97 N GLU B 7 15.096 3.739 4.672 1.00 0.00 N ATOM 98 CA GLU B 7 14.678 4.028 3.308 1.00 0.00 C ATOM 99 C GLU B 7 14.191 2.764 2.607 1.00 0.00 C ATOM 100 O GLU B 7 13.061 2.706 2.128 1.00 0.00 O ATOM 101 CB GLU B 7 15.840 4.640 2.527 1.00 0.00 C ATOM 102 CG GLU B 7 16.494 5.810 3.243 1.00 0.00 C ATOM 103 CD GLU B 7 17.605 6.440 2.431 1.00 0.00 C ATOM 104 OE1 GLU B 7 18.755 5.964 2.525 1.00 0.00 O ATOM 105 OE2 GLU B 7 17.337 7.413 1.696 1.00 0.00 O1- ATOM 0 H GLU B 7 16.092 3.880 4.843 1.00 0.00 H new ATOM 0 HA GLU B 7 13.852 4.739 3.346 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.590 3.871 2.342 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.479 4.974 1.554 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.739 6.564 3.465 1.00 0.00 H new ATOM 0 HG3 GLU B 7 16.895 5.469 4.198 1.00 0.00 H new ATOM 112 N GLU B 8 15.042 1.753 2.555 1.00 0.00 N ATOM 113 CA GLU B 8 14.708 0.510 1.891 1.00 0.00 C ATOM 114 C GLU B 8 13.845 -0.378 2.783 1.00 0.00 C ATOM 115 O GLU B 8 13.410 -1.456 2.380 1.00 0.00 O ATOM 116 CB GLU B 8 15.983 -0.214 1.465 1.00 0.00 C ATOM 117 CG GLU B 8 16.869 0.628 0.560 1.00 0.00 C ATOM 118 CD GLU B 8 18.139 -0.084 0.145 1.00 0.00 C ATOM 119 OE1 GLU B 8 18.112 -0.831 -0.855 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 19.175 0.102 0.813 1.00 0.00 O ATOM 0 H GLU B 8 15.974 1.772 2.968 1.00 0.00 H new ATOM 0 HA GLU B 8 14.124 0.741 1.000 1.00 0.00 H new ATOM 0 HB2 GLU B 8 16.547 -0.499 2.353 1.00 0.00 H new ATOM 0 HB3 GLU B 8 15.716 -1.135 0.948 1.00 0.00 H new ATOM 0 HG2 GLU B 8 16.307 0.906 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU B 8 17.129 1.553 1.074 1.00 0.00 H new ATOM 127 N GLN B 9 13.587 0.103 3.985 1.00 0.00 N ATOM 128 CA GLN B 9 12.735 -0.595 4.941 1.00 0.00 C ATOM 129 C GLN B 9 11.668 0.356 5.468 1.00 0.00 C ATOM 130 O GLN B 9 11.564 0.596 6.674 1.00 0.00 O ATOM 131 CB GLN B 9 13.559 -1.155 6.099 1.00 0.00 C ATOM 132 CG GLN B 9 14.528 -2.251 5.689 1.00 0.00 C ATOM 133 CD GLN B 9 15.341 -2.784 6.854 1.00 0.00 C ATOM 134 OE1 GLN B 9 14.765 -2.769 8.046 1.00 0.00 O flip ATOM 135 NE2 GLN B 9 16.483 -3.212 6.683 1.00 0.00 N flip ATOM 0 H GLN B 9 13.960 0.988 4.330 1.00 0.00 H new ATOM 0 HA GLN B 9 12.255 -1.431 4.432 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.119 -0.342 6.561 1.00 0.00 H new ATOM 0 HB3 GLN B 9 12.882 -1.547 6.858 1.00 0.00 H new ATOM 0 HG2 GLN B 9 13.971 -3.071 5.235 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.204 -1.865 4.926 1.00 0.00 H new ATOM 0 HE21 GLN B 9 16.895 -3.208 5.750 1.00 0.00 H new ATOM 0 HE22 GLN B 9 17.017 -3.571 7.475 1.00 0.00 H new ATOM 144 N MET B 10 10.888 0.899 4.542 1.00 0.00 N ATOM 145 CA MET B 10 9.882 1.907 4.859 1.00 0.00 C ATOM 146 C MET B 10 8.852 1.397 5.857 1.00 0.00 C ATOM 147 O MET B 10 8.401 0.259 5.769 1.00 0.00 O ATOM 148 CB MET B 10 9.186 2.381 3.581 1.00 0.00 C ATOM 149 CG MET B 10 10.063 3.272 2.716 1.00 0.00 C ATOM 150 SD MET B 10 10.580 4.777 3.575 1.00 0.00 S ATOM 151 CE MET B 10 8.997 5.493 4.018 1.00 0.00 C ATOM 0 H MET B 10 10.934 0.655 3.553 1.00 0.00 H new ATOM 0 HA MET B 10 10.400 2.746 5.324 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.877 1.512 3.000 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.280 2.924 3.849 1.00 0.00 H new ATOM 0 HG2 MET B 10 10.946 2.714 2.403 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.520 3.543 1.811 1.00 0.00 H new ATOM 0 HE1 MET B 10 9.051 6.578 3.929 1.00 0.00 H new ATOM 0 HE2 MET B 10 8.225 5.112 3.349 1.00 0.00 H new ATOM 0 HE3 MET B 10 8.751 5.225 5.046 1.00 0.00 H new ATOM 161 N ASN B 11 8.497 2.289 6.789 1.00 0.00 N ATOM 162 CA ASN B 11 7.551 2.058 7.894 1.00 0.00 C ATOM 163 C ASN B 11 6.252 1.363 7.495 1.00 0.00 C ATOM 164 O ASN B 11 5.464 0.965 8.354 1.00 0.00 O ATOM 165 CB ASN B 11 7.176 3.388 8.514 1.00 0.00 C ATOM 166 CG ASN B 11 8.358 4.114 9.127 1.00 0.00 C ATOM 167 OD1 ASN B 11 9.356 3.498 9.506 1.00 0.00 O ATOM 168 ND2 ASN B 11 8.250 5.427 9.246 1.00 0.00 N ATOM 0 H ASN B 11 8.877 3.236 6.796 1.00 0.00 H new ATOM 0 HA ASN B 11 8.073 1.395 8.583 1.00 0.00 H new ATOM 0 HB2 ASN B 11 6.723 4.022 7.752 1.00 0.00 H new ATOM 0 HB3 ASN B 11 6.420 3.224 9.282 1.00 0.00 H new ATOM 0 HD21 ASN B 11 9.009 5.965 9.664 1.00 0.00 H new ATOM 0 HD22 ASN B 11 7.408 5.901 8.920 1.00 0.00 H new ATOM 175 N SER B 12 6.024 1.249 6.209 1.00 0.00 N ATOM 176 CA SER B 12 4.857 0.575 5.674 1.00 0.00 C ATOM 177 C SER B 12 4.758 -0.866 6.179 1.00 0.00 C ATOM 178 O SER B 12 3.697 -1.482 6.070 1.00 0.00 O ATOM 179 CB SER B 12 4.912 0.591 4.143 1.00 0.00 C ATOM 180 OG SER B 12 3.744 0.023 3.576 1.00 0.00 O ATOM 0 H SER B 12 6.647 1.624 5.494 1.00 0.00 H new ATOM 0 HA SER B 12 3.970 1.108 6.017 1.00 0.00 H new ATOM 0 HB2 SER B 12 5.026 1.617 3.793 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.788 0.039 3.803 1.00 0.00 H new ATOM 0 HG SER B 12 3.809 0.049 2.599 1.00 0.00 H new ATOM 186 N ILE B 13 5.860 -1.389 6.737 1.00 0.00 N ATOM 187 CA ILE B 13 5.917 -2.776 7.183 1.00 0.00 C ATOM 188 C ILE B 13 4.730 -3.119 8.076 1.00 0.00 C ATOM 189 O ILE B 13 3.947 -4.021 7.783 1.00 0.00 O ATOM 190 CB ILE B 13 7.200 -3.132 7.972 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.354 -2.227 7.583 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.577 -4.587 7.753 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.412 -1.019 8.457 1.00 0.00 C ATOM 0 H ILE B 13 6.722 -0.865 6.887 1.00 0.00 H new ATOM 0 HA ILE B 13 5.904 -3.356 6.260 1.00 0.00 H new ATOM 0 HB ILE B 13 6.991 -2.979 9.031 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.292 -2.778 7.657 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.245 -1.921 6.543 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.481 -4.817 8.316 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.764 -5.229 8.094 1.00 0.00 H new ATOM 0 HG23 ILE B 13 7.756 -4.761 6.692 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.249 -0.390 8.154 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.483 -0.457 8.363 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.546 -1.326 9.494 1.00 0.00 H new ATOM 205 N ASN B 14 4.611 -2.386 9.176 1.00 0.00 N ATOM 206 CA ASN B 14 3.578 -2.646 10.162 1.00 0.00 C ATOM 207 C ASN B 14 2.485 -1.589 10.099 1.00 0.00 C ATOM 208 O ASN B 14 1.301 -1.914 10.044 1.00 0.00 O ATOM 209 CB ASN B 14 4.187 -2.665 11.564 1.00 0.00 C ATOM 210 CG ASN B 14 5.364 -3.616 11.684 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.564 -3.107 11.450 1.00 0.00 O flip ATOM 212 ND2 ASN B 14 5.197 -4.796 11.996 1.00 0.00 N flip ATOM 0 H ASN B 14 5.223 -1.603 9.406 1.00 0.00 H new ATOM 0 HA ASN B 14 3.136 -3.617 9.940 1.00 0.00 H new ATOM 0 HB2 ASN B 14 4.512 -1.658 11.827 1.00 0.00 H new ATOM 0 HB3 ASN B 14 3.420 -2.951 12.284 1.00 0.00 H new ATOM 0 HD21 ASN B 14 4.256 -5.150 12.168 1.00 0.00 H new ATOM 0 HD22 ASN B 14 6.000 -5.419 12.082 1.00 0.00 H new ATOM 219 N SER B 15 2.897 -0.325 10.096 1.00 0.00 N ATOM 220 CA SER B 15 1.973 0.798 10.172 1.00 0.00 C ATOM 221 C SER B 15 0.932 0.751 9.061 1.00 0.00 C ATOM 222 O SER B 15 -0.267 0.786 9.328 1.00 0.00 O ATOM 223 CB SER B 15 2.747 2.112 10.092 1.00 0.00 C ATOM 224 OG SER B 15 3.875 2.088 10.950 1.00 0.00 O ATOM 0 H SER B 15 3.878 -0.052 10.041 1.00 0.00 H new ATOM 0 HA SER B 15 1.449 0.731 11.126 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.070 2.287 9.066 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.094 2.941 10.366 1.00 0.00 H new ATOM 0 HG SER B 15 4.662 1.789 10.448 1.00 0.00 H new ATOM 230 N VAL B 16 1.393 0.649 7.824 1.00 0.00 N ATOM 231 CA VAL B 16 0.495 0.660 6.678 1.00 0.00 C ATOM 232 C VAL B 16 -0.277 -0.648 6.580 1.00 0.00 C ATOM 233 O VAL B 16 -1.439 -0.665 6.170 1.00 0.00 O ATOM 234 CB VAL B 16 1.258 0.933 5.370 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.344 0.812 4.158 1.00 0.00 C ATOM 236 CG2 VAL B 16 1.888 2.315 5.420 1.00 0.00 C ATOM 0 H VAL B 16 2.381 0.558 7.588 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.217 1.471 6.828 1.00 0.00 H new ATOM 0 HB VAL B 16 2.042 0.182 5.270 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.914 1.011 3.251 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.069 -0.196 4.113 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.468 1.534 4.241 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.427 2.503 4.491 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.108 3.066 5.545 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.582 2.369 6.259 1.00 0.00 H new ATOM 246 N ASN B 17 0.361 -1.739 6.986 1.00 0.00 N ATOM 247 CA ASN B 17 -0.303 -3.034 7.022 1.00 0.00 C ATOM 248 C ASN B 17 -1.505 -2.955 7.953 1.00 0.00 C ATOM 249 O ASN B 17 -2.584 -3.445 7.631 1.00 0.00 O ATOM 250 CB ASN B 17 0.662 -4.127 7.498 1.00 0.00 C ATOM 251 CG ASN B 17 0.212 -5.549 7.159 1.00 0.00 C ATOM 252 OD1 ASN B 17 1.043 -6.445 7.022 1.00 0.00 O ATOM 253 ND2 ASN B 17 -1.087 -5.776 7.004 1.00 0.00 N ATOM 0 H ASN B 17 1.333 -1.752 7.294 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.635 -3.291 6.016 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.641 -3.951 7.052 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.784 -4.044 8.578 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.416 -6.711 6.766 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -1.756 -5.015 7.123 1.00 0.00 H new ATOM 260 N ASP B 18 -1.315 -2.308 9.095 1.00 0.00 N ATOM 261 CA ASP B 18 -2.384 -2.128 10.059 1.00 0.00 C ATOM 262 C ASP B 18 -3.368 -1.060 9.593 1.00 0.00 C ATOM 263 O ASP B 18 -4.573 -1.190 9.798 1.00 0.00 O ATOM 264 CB ASP B 18 -1.803 -1.744 11.417 1.00 0.00 C ATOM 265 CG ASP B 18 -2.056 -2.795 12.474 1.00 0.00 C ATOM 266 OD1 ASP B 18 -3.220 -2.938 12.908 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 -1.093 -3.480 12.885 1.00 0.00 O ATOM 0 H ASP B 18 -0.424 -1.898 9.374 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.922 -3.071 10.150 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.729 -1.585 11.317 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -2.237 -0.797 11.739 1.00 0.00 H new ATOM 272 N LYS B 19 -2.846 -0.005 8.974 1.00 0.00 N ATOM 273 CA LYS B 19 -3.648 1.092 8.480 1.00 0.00 C ATOM 274 C LYS B 19 -4.643 0.628 7.421 1.00 0.00 C ATOM 275 O LYS B 19 -5.786 1.077 7.384 1.00 0.00 O ATOM 276 CB LYS B 19 -2.699 2.117 7.892 1.00 0.00 C ATOM 277 CG LYS B 19 -3.081 3.548 8.159 1.00 0.00 C ATOM 278 CD LYS B 19 -4.293 3.998 7.350 1.00 0.00 C ATOM 279 CE LYS B 19 -4.010 4.029 5.854 1.00 0.00 C ATOM 280 NZ LYS B 19 -5.152 4.593 5.085 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.847 0.106 8.804 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.231 1.518 9.297 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.701 1.940 8.292 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.642 1.965 6.814 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.293 3.670 9.221 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.235 4.194 7.927 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -5.128 3.325 7.546 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.599 4.991 7.680 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.116 4.624 5.666 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.800 3.019 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.927 4.581 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -6.003 4.021 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.326 5.572 5.389 1.00 0.00 H new ATOM 294 N LEU B 20 -4.203 -0.253 6.543 1.00 0.00 N ATOM 295 CA LEU B 20 -5.077 -0.776 5.512 1.00 0.00 C ATOM 296 C LEU B 20 -5.972 -1.876 6.067 1.00 0.00 C ATOM 297 O LEU B 20 -7.117 -2.025 5.638 1.00 0.00 O ATOM 298 CB LEU B 20 -4.266 -1.283 4.323 1.00 0.00 C ATOM 299 CG LEU B 20 -3.579 -0.190 3.506 1.00 0.00 C ATOM 300 CD1 LEU B 20 -2.785 -0.795 2.359 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.610 0.807 2.990 1.00 0.00 C ATOM 0 H LEU B 20 -3.251 -0.619 6.523 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.717 0.035 5.165 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.508 -1.976 4.687 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.926 -1.849 3.665 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.880 0.341 4.152 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.304 0.001 1.790 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.025 -1.467 2.757 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.456 -1.353 1.706 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.109 1.581 2.409 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.332 0.290 2.358 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.128 1.264 3.833 1.00 0.00 H new ATOM 313 N ASN B 21 -5.457 -2.613 7.042 1.00 0.00 N ATOM 314 CA ASN B 21 -6.197 -3.711 7.657 1.00 0.00 C ATOM 315 C ASN B 21 -6.879 -3.241 8.945 1.00 0.00 C ATOM 316 O ASN B 21 -6.697 -3.822 10.015 1.00 0.00 O ATOM 317 CB ASN B 21 -5.249 -4.882 7.956 1.00 0.00 C ATOM 318 CG ASN B 21 -5.978 -6.152 8.363 1.00 0.00 C ATOM 319 OD1 ASN B 21 -7.067 -6.446 7.871 1.00 0.00 O ATOM 320 ND2 ASN B 21 -5.385 -6.907 9.274 1.00 0.00 N ATOM 0 H ASN B 21 -4.523 -2.470 7.427 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.966 -4.047 6.961 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.643 -5.085 7.073 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.564 -4.592 8.753 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.831 -7.767 9.592 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.482 -6.629 9.658 1.00 0.00 H new ATOM 327 N LYS B 22 -7.647 -2.165 8.842 1.00 0.00 N ATOM 328 CA LYS B 22 -8.399 -1.654 9.985 1.00 0.00 C ATOM 329 C LYS B 22 -9.782 -2.297 10.041 1.00 0.00 C ATOM 330 O LYS B 22 -10.191 -2.839 11.068 1.00 0.00 O ATOM 331 CB LYS B 22 -8.541 -0.133 9.910 1.00 0.00 C ATOM 332 CG LYS B 22 -7.226 0.624 10.000 1.00 0.00 C ATOM 333 CD LYS B 22 -7.437 2.130 9.893 1.00 0.00 C ATOM 334 CE LYS B 22 -8.073 2.707 11.149 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.135 2.689 12.302 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.767 -1.629 7.983 1.00 0.00 H new ATOM 0 HA LYS B 22 -7.848 -1.908 10.890 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -9.034 0.128 8.973 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -9.194 0.199 10.717 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.735 0.391 10.945 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.559 0.292 9.204 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -6.479 2.619 9.714 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -8.071 2.347 9.033 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.393 3.731 10.957 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.967 2.136 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -7.515 3.280 13.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -7.022 1.713 12.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.211 3.061 12.004 1.00 0.00 H new ATOM 349 N GLY B 23 -10.491 -2.237 8.922 1.00 0.00 N ATOM 350 CA GLY B 23 -11.829 -2.788 8.850 1.00 0.00 C ATOM 351 C GLY B 23 -12.275 -2.969 7.416 1.00 0.00 C ATOM 352 O GLY B 23 -13.152 -2.256 6.929 1.00 0.00 O ATOM 0 H GLY B 23 -10.159 -1.813 8.056 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.857 -3.748 9.365 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.524 -2.128 9.368 1.00 0.00 H new ATOM 356 N LYS B 24 -11.634 -3.900 6.729 1.00 0.00 N ATOM 357 CA LYS B 24 -11.935 -4.175 5.338 1.00 0.00 C ATOM 358 C LYS B 24 -12.280 -5.649 5.177 1.00 0.00 C ATOM 359 O LYS B 24 -12.672 -6.312 6.142 1.00 0.00 O ATOM 360 CB LYS B 24 -10.728 -3.843 4.453 1.00 0.00 C ATOM 361 CG LYS B 24 -9.980 -2.578 4.845 1.00 0.00 C ATOM 362 CD LYS B 24 -10.854 -1.337 4.778 1.00 0.00 C ATOM 363 CE LYS B 24 -10.093 -0.099 5.221 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.843 0.106 4.441 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.894 -4.483 7.120 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.780 -3.557 5.034 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -10.033 -4.682 4.480 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.067 -3.743 3.422 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -9.591 -2.689 5.857 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.122 -2.449 4.186 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.215 -1.199 3.759 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.731 -1.473 5.411 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -10.734 0.776 5.113 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.848 -0.186 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -8.421 1.022 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.170 -0.657 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -9.063 0.097 3.425 1.00 0.00 H new ATOM 378 N GLY B 25 -12.114 -6.160 3.961 1.00 0.00 N ATOM 379 CA GLY B 25 -12.326 -7.571 3.709 1.00 0.00 C ATOM 380 C GLY B 25 -11.205 -8.404 4.304 1.00 0.00 C ATOM 381 O GLY B 25 -10.377 -7.878 5.049 1.00 0.00 O ATOM 0 H GLY B 25 -11.835 -5.618 3.143 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -13.280 -7.881 4.135 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -12.385 -7.748 2.635 1.00 0.00 H new ATOM 385 N LYS B 26 -11.167 -9.695 3.999 1.00 0.00 N ATOM 386 CA LYS B 26 -10.082 -10.536 4.463 1.00 0.00 C ATOM 387 C LYS B 26 -8.819 -10.208 3.679 1.00 0.00 C ATOM 388 O LYS B 26 -8.542 -10.804 2.639 1.00 0.00 O ATOM 389 CB LYS B 26 -10.431 -12.010 4.303 1.00 0.00 C ATOM 390 CG LYS B 26 -11.857 -12.355 4.694 1.00 0.00 C ATOM 391 CD LYS B 26 -12.757 -12.378 3.477 1.00 0.00 C ATOM 392 CE LYS B 26 -14.152 -12.888 3.787 1.00 0.00 C ATOM 393 NZ LYS B 26 -14.150 -14.330 4.148 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.870 -10.175 3.437 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.915 -10.342 5.523 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.270 -12.300 3.265 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.746 -12.603 4.909 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.879 -13.327 5.187 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.229 -11.625 5.413 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.827 -11.372 3.063 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.307 -13.008 2.710 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -14.576 -12.309 4.608 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -14.796 -12.732 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -15.126 -14.688 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -13.590 -14.862 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.732 -14.451 5.093 1.00 0.00 H new ATOM 407 N LEU B 27 -8.079 -9.248 4.189 1.00 0.00 N ATOM 408 CA LEU B 27 -6.944 -8.686 3.513 1.00 0.00 C ATOM 409 C LEU B 27 -5.640 -9.166 4.141 1.00 0.00 C ATOM 410 O LEU B 27 -5.438 -9.064 5.351 1.00 0.00 O ATOM 411 CB LEU B 27 -7.048 -7.162 3.580 1.00 0.00 C ATOM 412 CG LEU B 27 -5.755 -6.417 3.300 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.328 -6.606 1.854 1.00 0.00 C ATOM 414 CD2 LEU B 27 -5.902 -4.940 3.637 1.00 0.00 C ATOM 0 H LEU B 27 -8.258 -8.832 5.103 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.940 -9.012 2.473 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.802 -6.833 2.865 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -7.405 -6.881 4.571 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.975 -6.832 3.938 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.399 -6.064 1.675 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.173 -7.667 1.656 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.105 -6.223 1.192 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.964 -4.424 3.429 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.697 -4.506 3.031 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -6.150 -4.831 4.693 1.00 0.00 H new ATOM 426 N SER B 28 -4.768 -9.691 3.305 1.00 0.00 N ATOM 427 CA SER B 28 -3.467 -10.161 3.742 1.00 0.00 C ATOM 428 C SER B 28 -2.369 -9.502 2.916 1.00 0.00 C ATOM 429 O SER B 28 -2.295 -9.718 1.708 1.00 0.00 O ATOM 430 CB SER B 28 -3.396 -11.679 3.589 1.00 0.00 C ATOM 431 OG SER B 28 -4.377 -12.325 4.390 1.00 0.00 O ATOM 0 H SER B 28 -4.939 -9.804 2.306 1.00 0.00 H new ATOM 0 HA SER B 28 -3.323 -9.897 4.790 1.00 0.00 H new ATOM 0 HB2 SER B 28 -3.542 -11.949 2.543 1.00 0.00 H new ATOM 0 HB3 SER B 28 -2.404 -12.029 3.873 1.00 0.00 H new ATOM 0 HG SER B 28 -4.309 -13.295 4.271 1.00 0.00 H new ATOM 437 N LEU B 29 -1.536 -8.682 3.551 1.00 0.00 N ATOM 438 CA LEU B 29 -0.436 -8.046 2.839 1.00 0.00 C ATOM 439 C LEU B 29 0.807 -8.919 2.877 1.00 0.00 C ATOM 440 O LEU B 29 0.966 -9.772 3.750 1.00 0.00 O ATOM 441 CB LEU B 29 -0.089 -6.676 3.426 1.00 0.00 C ATOM 442 CG LEU B 29 -1.232 -5.663 3.504 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.688 -4.287 3.837 1.00 0.00 C ATOM 444 CD2 LEU B 29 -2.007 -5.617 2.202 1.00 0.00 C ATOM 0 H LEU B 29 -1.601 -8.446 4.541 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.768 -7.913 1.809 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.306 -6.824 4.431 1.00 0.00 H new ATOM 0 HB3 LEU B 29 0.713 -6.241 2.830 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.913 -5.978 4.294 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.510 -3.574 3.890 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -0.175 -4.321 4.798 1.00 0.00 H new ATOM 0 HD13 LEU B 29 0.013 -3.976 3.063 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.814 -4.889 2.284 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.339 -5.328 1.391 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.426 -6.601 1.993 1.00 0.00 H new ATOM 456 N SER B 30 1.667 -8.709 1.904 1.00 0.00 N ATOM 457 CA SER B 30 2.962 -9.330 1.856 1.00 0.00 C ATOM 458 C SER B 30 3.952 -8.349 1.235 1.00 0.00 C ATOM 459 O SER B 30 3.554 -7.464 0.476 1.00 0.00 O ATOM 460 CB SER B 30 2.885 -10.609 1.049 1.00 0.00 C ATOM 461 OG SER B 30 1.990 -11.541 1.637 1.00 0.00 O ATOM 0 H SER B 30 1.478 -8.092 1.114 1.00 0.00 H new ATOM 0 HA SER B 30 3.298 -9.585 2.861 1.00 0.00 H new ATOM 0 HB2 SER B 30 2.560 -10.381 0.034 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.877 -11.053 0.974 1.00 0.00 H new ATOM 0 HG SER B 30 1.961 -12.355 1.092 1.00 0.00 H new ATOM 467 N MET B 31 5.226 -8.477 1.566 1.00 0.00 N ATOM 468 CA MET B 31 6.218 -7.533 1.078 1.00 0.00 C ATOM 469 C MET B 31 7.306 -8.223 0.266 1.00 0.00 C ATOM 470 O MET B 31 7.734 -9.332 0.586 1.00 0.00 O ATOM 471 CB MET B 31 6.837 -6.763 2.246 1.00 0.00 C ATOM 472 CG MET B 31 5.820 -5.949 3.030 1.00 0.00 C ATOM 473 SD MET B 31 6.566 -4.944 4.330 1.00 0.00 S ATOM 474 CE MET B 31 7.640 -3.878 3.372 1.00 0.00 C ATOM 0 H MET B 31 5.595 -9.216 2.164 1.00 0.00 H new ATOM 0 HA MET B 31 5.708 -6.833 0.417 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.326 -7.467 2.919 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.611 -6.097 1.865 1.00 0.00 H new ATOM 0 HG2 MET B 31 5.277 -5.299 2.344 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.089 -6.624 3.475 1.00 0.00 H new ATOM 0 HE1 MET B 31 7.876 -2.985 3.950 1.00 0.00 H new ATOM 0 HE2 MET B 31 8.561 -4.409 3.133 1.00 0.00 H new ATOM 0 HE3 MET B 31 7.137 -3.590 2.449 1.00 0.00 H new ATOM 484 N ASN B 32 7.728 -7.556 -0.798 1.00 0.00 N ATOM 485 CA ASN B 32 8.815 -8.026 -1.651 1.00 0.00 C ATOM 486 C ASN B 32 9.590 -6.814 -2.143 1.00 0.00 C ATOM 487 O ASN B 32 9.048 -6.011 -2.892 1.00 0.00 O ATOM 488 CB ASN B 32 8.257 -8.817 -2.843 1.00 0.00 C ATOM 489 CG ASN B 32 9.350 -9.357 -3.749 1.00 0.00 C ATOM 490 OD1 ASN B 32 9.875 -10.446 -3.519 1.00 0.00 O ATOM 491 ND2 ASN B 32 9.688 -8.615 -4.793 1.00 0.00 N ATOM 0 H ASN B 32 7.325 -6.668 -1.097 1.00 0.00 H new ATOM 0 HA ASN B 32 9.471 -8.688 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN B 32 7.654 -9.646 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN B 32 7.594 -8.174 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN B 32 10.406 -8.941 -5.440 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.230 -7.717 -4.950 1.00 0.00 H new ATOM 498 N GLY B 33 10.839 -6.662 -1.717 1.00 0.00 N ATOM 499 CA GLY B 33 11.536 -5.415 -1.978 1.00 0.00 C ATOM 500 C GLY B 33 10.882 -4.295 -1.210 1.00 0.00 C ATOM 501 O GLY B 33 11.025 -4.201 0.008 1.00 0.00 O ATOM 0 H GLY B 33 11.373 -7.364 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.583 -5.505 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.519 -5.195 -3.045 1.00 0.00 H new ATOM 505 N ASN B 34 10.133 -3.470 -1.917 1.00 0.00 N ATOM 506 CA ASN B 34 9.307 -2.455 -1.287 1.00 0.00 C ATOM 507 C ASN B 34 7.913 -2.490 -1.896 1.00 0.00 C ATOM 508 O ASN B 34 7.193 -1.494 -1.893 1.00 0.00 O ATOM 509 CB ASN B 34 9.919 -1.059 -1.442 1.00 0.00 C ATOM 510 CG ASN B 34 11.175 -0.856 -0.626 1.00 0.00 C ATOM 511 OD1 ASN B 34 12.103 -0.168 -1.047 1.00 0.00 O ATOM 512 ND2 ASN B 34 11.202 -1.418 0.564 1.00 0.00 N ATOM 0 H ASN B 34 10.079 -3.483 -2.935 1.00 0.00 H new ATOM 0 HA ASN B 34 9.248 -2.671 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.147 -0.886 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN B 34 9.180 -0.313 -1.149 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.012 -1.289 1.171 1.00 0.00 H new ATOM 0 HD22 ASN B 34 10.413 -1.982 0.880 1.00 0.00 H new ATOM 519 N GLN B 35 7.546 -3.653 -2.428 1.00 0.00 N ATOM 520 CA GLN B 35 6.245 -3.831 -3.058 1.00 0.00 C ATOM 521 C GLN B 35 5.164 -4.053 -2.027 1.00 0.00 C ATOM 522 O GLN B 35 5.425 -4.517 -0.915 1.00 0.00 O ATOM 523 CB GLN B 35 6.246 -5.032 -3.999 1.00 0.00 C ATOM 524 CG GLN B 35 7.311 -4.964 -5.066 1.00 0.00 C ATOM 525 CD GLN B 35 7.339 -6.194 -5.952 1.00 0.00 C ATOM 526 OE1 GLN B 35 8.391 -6.585 -6.454 1.00 0.00 O ATOM 527 NE2 GLN B 35 6.187 -6.812 -6.157 1.00 0.00 N ATOM 0 H GLN B 35 8.134 -4.486 -2.434 1.00 0.00 H new ATOM 0 HA GLN B 35 6.045 -2.918 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.387 -5.941 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.269 -5.109 -4.477 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.143 -4.082 -5.684 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.285 -4.841 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN B 35 5.334 -6.458 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN B 35 6.152 -7.642 -6.749 1.00 0.00 H new ATOM 536 N LEU B 36 3.948 -3.751 -2.424 1.00 0.00 N ATOM 537 CA LEU B 36 2.792 -4.043 -1.607 1.00 0.00 C ATOM 538 C LEU B 36 2.000 -5.155 -2.272 1.00 0.00 C ATOM 539 O LEU B 36 1.416 -4.974 -3.342 1.00 0.00 O ATOM 540 CB LEU B 36 1.919 -2.801 -1.420 1.00 0.00 C ATOM 541 CG LEU B 36 0.992 -2.818 -0.192 1.00 0.00 C ATOM 542 CD1 LEU B 36 0.471 -1.421 0.097 1.00 0.00 C ATOM 543 CD2 LEU B 36 -0.177 -3.770 -0.395 1.00 0.00 C ATOM 0 H LEU B 36 3.734 -3.300 -3.314 1.00 0.00 H new ATOM 0 HA LEU B 36 3.121 -4.360 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.569 -1.929 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU B 36 1.307 -2.671 -2.313 1.00 0.00 H new ATOM 0 HG LEU B 36 1.576 -3.168 0.659 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.183 -1.450 0.968 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.310 -0.754 0.295 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.088 -1.056 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.813 -3.759 0.490 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.757 -3.454 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.200 -4.780 -0.558 1.00 0.00 H new ATOM 555 N LYS B 37 2.022 -6.306 -1.649 1.00 0.00 N ATOM 556 CA LYS B 37 1.292 -7.462 -2.129 1.00 0.00 C ATOM 557 C LYS B 37 0.096 -7.658 -1.218 1.00 0.00 C ATOM 558 O LYS B 37 0.181 -7.353 -0.030 1.00 0.00 O ATOM 559 CB LYS B 37 2.182 -8.702 -2.092 1.00 0.00 C ATOM 560 CG LYS B 37 3.583 -8.487 -2.653 1.00 0.00 C ATOM 561 CD LYS B 37 3.618 -8.532 -4.171 1.00 0.00 C ATOM 562 CE LYS B 37 3.270 -9.917 -4.701 1.00 0.00 C ATOM 563 NZ LYS B 37 3.235 -9.950 -6.187 1.00 0.00 N1+ ATOM 0 H LYS B 37 2.547 -6.473 -0.791 1.00 0.00 H new ATOM 0 HA LYS B 37 0.971 -7.307 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.265 -9.044 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS B 37 1.697 -9.500 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.963 -7.523 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.251 -9.251 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS B 37 2.916 -7.801 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS B 37 4.610 -8.247 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.002 -10.639 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS B 37 2.300 -10.223 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 2.995 -10.910 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 2.518 -9.280 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 4.168 -9.683 -6.562 1.00 0.00 H new ATOM 577 N ALA B 38 -1.001 -8.166 -1.745 1.00 0.00 N ATOM 578 CA ALA B 38 -2.225 -8.244 -0.963 1.00 0.00 C ATOM 579 C ALA B 38 -3.225 -9.230 -1.544 1.00 0.00 C ATOM 580 O ALA B 38 -3.314 -9.402 -2.760 1.00 0.00 O ATOM 581 CB ALA B 38 -2.863 -6.870 -0.863 1.00 0.00 C ATOM 0 H ALA B 38 -1.073 -8.527 -2.696 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.950 -8.604 0.029 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -3.779 -6.936 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -2.170 -6.182 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.098 -6.504 -1.863 1.00 0.00 H new ATOM 587 N THR B 39 -3.967 -9.880 -0.658 1.00 0.00 N ATOM 588 CA THR B 39 -5.065 -10.735 -1.050 1.00 0.00 C ATOM 589 C THR B 39 -6.304 -10.350 -0.258 1.00 0.00 C ATOM 590 O THR B 39 -6.188 -9.962 0.905 1.00 0.00 O ATOM 591 CB THR B 39 -4.724 -12.205 -0.782 1.00 0.00 C ATOM 592 OG1 THR B 39 -4.118 -12.336 0.513 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.791 -12.752 -1.850 1.00 0.00 C ATOM 0 H THR B 39 -3.820 -9.826 0.350 1.00 0.00 H new ATOM 0 HA THR B 39 -5.249 -10.609 -2.117 1.00 0.00 H new ATOM 0 HB THR B 39 -5.648 -12.782 -0.810 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.904 -13.278 0.680 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.565 -13.797 -1.636 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.271 -12.677 -2.826 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.866 -12.175 -1.856 1.00 0.00 H new ATOM 601 N SER B 40 -7.478 -10.426 -0.869 1.00 0.00 N ATOM 602 CA SER B 40 -8.701 -10.030 -0.181 1.00 0.00 C ATOM 603 C SER B 40 -9.932 -10.723 -0.747 1.00 0.00 C ATOM 604 O SER B 40 -9.966 -11.120 -1.912 1.00 0.00 O ATOM 605 CB SER B 40 -8.908 -8.516 -0.272 1.00 0.00 C ATOM 606 OG SER B 40 -7.809 -7.810 0.273 1.00 0.00 O ATOM 0 H SER B 40 -7.611 -10.753 -1.826 1.00 0.00 H new ATOM 0 HA SER B 40 -8.580 -10.332 0.859 1.00 0.00 H new ATOM 0 HB2 SER B 40 -9.046 -8.228 -1.314 1.00 0.00 H new ATOM 0 HB3 SER B 40 -9.819 -8.239 0.259 1.00 0.00 H new ATOM 0 HG SER B 40 -7.970 -6.846 0.199 1.00 0.00 H new ATOM 612 N SER B 41 -10.933 -10.877 0.106 1.00 0.00 N ATOM 613 CA SER B 41 -12.262 -11.266 -0.336 1.00 0.00 C ATOM 614 C SER B 41 -13.233 -10.160 0.034 1.00 0.00 C ATOM 615 O SER B 41 -13.021 -9.443 1.018 1.00 0.00 O ATOM 616 CB SER B 41 -12.691 -12.586 0.285 1.00 0.00 C ATOM 617 OG SER B 41 -11.594 -13.475 0.422 1.00 0.00 O ATOM 0 H SER B 41 -10.849 -10.738 1.113 1.00 0.00 H new ATOM 0 HA SER B 41 -12.253 -11.411 -1.416 1.00 0.00 H new ATOM 0 HB2 SER B 41 -13.136 -12.402 1.263 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.460 -13.048 -0.334 1.00 0.00 H new ATOM 0 HG SER B 41 -11.901 -14.314 0.825 1.00 0.00 H new ATOM 623 N ASN B 42 -14.301 -10.040 -0.730 1.00 0.00 N ATOM 624 CA ASN B 42 -15.129 -8.852 -0.681 1.00 0.00 C ATOM 625 C ASN B 42 -16.501 -9.145 -0.109 1.00 0.00 C ATOM 626 O ASN B 42 -17.501 -8.565 -0.527 1.00 0.00 O ATOM 627 CB ASN B 42 -15.244 -8.220 -2.069 1.00 0.00 C ATOM 628 CG ASN B 42 -13.968 -7.510 -2.482 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.074 -8.100 -3.089 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.876 -6.231 -2.157 1.00 0.00 N ATOM 0 H ASN B 42 -14.615 -10.750 -1.391 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.644 -8.141 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.481 -8.993 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.071 -7.510 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.043 -5.699 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.638 -5.777 -1.654 1.00 0.00 H new ATOM 637 N ALA B 43 -16.537 -10.051 0.845 1.00 0.00 N ATOM 638 CA ALA B 43 -17.769 -10.334 1.575 1.00 0.00 C ATOM 639 C ALA B 43 -18.107 -9.186 2.508 1.00 0.00 C ATOM 640 O ALA B 43 -19.139 -8.529 2.380 1.00 0.00 O ATOM 641 CB ALA B 43 -17.623 -11.619 2.368 1.00 0.00 C ATOM 0 H ALA B 43 -15.733 -10.606 1.138 1.00 0.00 H new ATOM 0 HA ALA B 43 -18.579 -10.451 0.855 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -18.548 -11.820 2.909 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -17.413 -12.445 1.688 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -16.803 -11.517 3.078 1.00 0.00 H new ATOM 647 N GLY B 44 -17.203 -8.953 3.429 1.00 0.00 N ATOM 648 CA GLY B 44 -17.302 -7.829 4.332 1.00 0.00 C ATOM 649 C GLY B 44 -16.127 -6.909 4.133 1.00 0.00 C ATOM 650 O GLY B 44 -15.303 -6.731 5.024 1.00 0.00 O ATOM 0 H GLY B 44 -16.379 -9.536 3.574 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -18.232 -7.289 4.155 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -17.329 -8.181 5.363 1.00 0.00 H new ATOM 654 N TYR B 45 -16.042 -6.368 2.929 1.00 0.00 N ATOM 655 CA TYR B 45 -14.899 -5.568 2.497 1.00 0.00 C ATOM 656 C TYR B 45 -14.837 -4.189 3.173 1.00 0.00 C ATOM 657 O TYR B 45 -15.236 -4.035 4.320 1.00 0.00 O ATOM 658 CB TYR B 45 -14.918 -5.442 0.970 1.00 0.00 C ATOM 659 CG TYR B 45 -16.176 -4.805 0.395 1.00 0.00 C ATOM 660 CD1 TYR B 45 -17.319 -5.564 0.178 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.217 -3.456 0.059 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.463 -4.999 -0.352 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.359 -2.884 -0.472 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.479 -3.662 -0.675 1.00 0.00 C ATOM 665 OH TYR B 45 -19.620 -3.102 -1.204 1.00 0.00 O ATOM 0 H TYR B 45 -16.766 -6.470 2.217 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.993 -6.086 2.810 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.055 -4.854 0.658 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.800 -6.435 0.537 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -17.313 -6.615 0.428 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -15.341 -2.844 0.216 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -19.342 -5.605 -0.512 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -17.373 -1.834 -0.726 1.00 0.00 H new ATOM 0 HH TYR B 45 -19.467 -2.149 -1.376 1.00 0.00 H new ATOM 675 N GLY B 46 -14.289 -3.198 2.475 1.00 0.00 N ATOM 676 CA GLY B 46 -14.139 -1.881 3.045 1.00 0.00 C ATOM 677 C GLY B 46 -15.425 -1.075 2.996 1.00 0.00 C ATOM 678 O GLY B 46 -15.707 -0.407 2.005 1.00 0.00 O ATOM 0 H GLY B 46 -13.946 -3.290 1.519 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.811 -1.972 4.080 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.357 -1.344 2.509 1.00 0.00 H new ATOM 682 N ILE B 47 -16.214 -1.152 4.062 1.00 0.00 N ATOM 683 CA ILE B 47 -17.472 -0.412 4.135 1.00 0.00 C ATOM 684 C ILE B 47 -17.330 0.775 5.067 1.00 0.00 C ATOM 685 O ILE B 47 -17.587 1.915 4.685 1.00 0.00 O ATOM 686 CB ILE B 47 -18.648 -1.256 4.673 1.00 0.00 C ATOM 687 CG1 ILE B 47 -18.405 -2.754 4.516 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.928 -0.856 3.970 1.00 0.00 C ATOM 689 CD1 ILE B 47 -17.703 -3.375 5.704 1.00 0.00 C ATOM 0 H ILE B 47 -16.007 -1.717 4.886 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.689 -0.109 3.111 1.00 0.00 H new ATOM 0 HB ILE B 47 -18.736 -1.056 5.741 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -19.361 -3.256 4.364 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.809 -2.926 3.620 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.755 -1.454 4.352 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -20.129 0.200 4.152 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.823 -1.026 2.898 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -17.562 -4.441 5.527 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.733 -2.898 5.843 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -18.308 -3.233 6.599 1.00 0.00 H new ATOM 701 N SER B 48 -16.949 0.462 6.303 1.00 0.00 N ATOM 702 CA SER B 48 -16.761 1.443 7.367 1.00 0.00 C ATOM 703 C SER B 48 -16.112 2.726 6.863 1.00 0.00 C ATOM 704 O SER B 48 -16.672 3.817 6.979 1.00 0.00 O ATOM 705 CB SER B 48 -15.887 0.820 8.444 1.00 0.00 C ATOM 706 OG SER B 48 -16.412 -0.432 8.855 1.00 0.00 O ATOM 0 H SER B 48 -16.759 -0.496 6.597 1.00 0.00 H new ATOM 0 HA SER B 48 -17.741 1.712 7.762 1.00 0.00 H new ATOM 0 HB2 SER B 48 -14.873 0.688 8.065 1.00 0.00 H new ATOM 0 HB3 SER B 48 -15.822 1.491 9.300 1.00 0.00 H new ATOM 0 HG SER B 48 -15.835 -0.818 9.547 1.00 0.00 H new ATOM 712 N TYR B 49 -14.933 2.573 6.303 1.00 0.00 N ATOM 713 CA TYR B 49 -14.185 3.694 5.757 1.00 0.00 C ATOM 714 C TYR B 49 -14.536 3.857 4.290 1.00 0.00 C ATOM 715 O TYR B 49 -14.049 3.107 3.442 1.00 0.00 O ATOM 716 CB TYR B 49 -12.682 3.452 5.904 1.00 0.00 C ATOM 717 CG TYR B 49 -12.298 2.822 7.219 1.00 0.00 C ATOM 718 CD1 TYR B 49 -12.037 3.595 8.341 1.00 0.00 C ATOM 719 CD2 TYR B 49 -12.202 1.444 7.333 1.00 0.00 C ATOM 720 CE1 TYR B 49 -11.690 3.007 9.542 1.00 0.00 C ATOM 721 CE2 TYR B 49 -11.860 0.849 8.524 1.00 0.00 C ATOM 722 CZ TYR B 49 -11.606 1.634 9.628 1.00 0.00 C ATOM 723 OH TYR B 49 -11.264 1.043 10.821 1.00 0.00 O ATOM 0 H TYR B 49 -14.463 1.673 6.211 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.446 4.600 6.303 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -12.345 2.810 5.091 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.157 4.402 5.799 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -12.106 4.671 8.275 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -12.400 0.826 6.470 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -11.486 3.619 10.408 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -11.791 -0.226 8.594 1.00 0.00 H new ATOM 0 HH TYR B 49 -11.477 0.087 10.785 1.00 0.00 H new ATOM 733 N GLU B 50 -15.394 4.819 3.993 1.00 0.00 N ATOM 734 CA GLU B 50 -15.859 5.013 2.633 1.00 0.00 C ATOM 735 C GLU B 50 -14.803 5.700 1.779 1.00 0.00 C ATOM 736 O GLU B 50 -14.059 5.044 1.046 1.00 0.00 O ATOM 737 CB GLU B 50 -17.164 5.808 2.609 1.00 0.00 C ATOM 738 CG GLU B 50 -18.283 5.151 3.394 1.00 0.00 C ATOM 739 CD GLU B 50 -19.645 5.701 3.031 1.00 0.00 C ATOM 740 OE1 GLU B 50 -20.169 5.327 1.960 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -20.197 6.507 3.806 1.00 0.00 O ATOM 0 H GLU B 50 -15.780 5.474 4.673 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.048 4.027 2.208 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.982 6.804 3.014 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.483 5.938 1.575 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.268 4.076 3.212 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -18.108 5.296 4.460 1.00 0.00 H new ATOM 748 N ASP B 51 -14.721 7.018 1.866 1.00 0.00 N ATOM 749 CA ASP B 51 -13.784 7.746 1.029 1.00 0.00 C ATOM 750 C ASP B 51 -12.643 8.349 1.838 1.00 0.00 C ATOM 751 O ASP B 51 -12.823 9.283 2.620 1.00 0.00 O ATOM 752 CB ASP B 51 -14.497 8.832 0.207 1.00 0.00 C ATOM 753 CG ASP B 51 -15.193 9.877 1.057 1.00 0.00 C ATOM 754 OD1 ASP B 51 -16.291 9.591 1.575 1.00 0.00 O ATOM 755 OD2 ASP B 51 -14.655 10.997 1.198 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.280 7.595 2.494 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.350 7.022 0.339 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -13.769 9.325 -0.437 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.231 8.359 -0.446 1.00 0.00 H new ATOM 760 N LYS B 52 -11.471 7.762 1.659 1.00 0.00 N ATOM 761 CA LYS B 52 -10.218 8.355 2.096 1.00 0.00 C ATOM 762 C LYS B 52 -9.177 8.065 1.036 1.00 0.00 C ATOM 763 O LYS B 52 -8.935 6.906 0.711 1.00 0.00 O ATOM 764 CB LYS B 52 -9.740 7.772 3.420 1.00 0.00 C ATOM 765 CG LYS B 52 -10.805 7.723 4.501 1.00 0.00 C ATOM 766 CD LYS B 52 -10.256 7.192 5.812 1.00 0.00 C ATOM 767 CE LYS B 52 -11.356 7.051 6.853 1.00 0.00 C ATOM 768 NZ LYS B 52 -12.018 8.349 7.152 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.362 6.856 1.204 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.370 9.425 2.240 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.369 6.762 3.246 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -8.899 8.363 3.781 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.211 8.722 4.656 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.629 7.091 4.170 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -9.783 6.224 5.646 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.483 7.864 6.185 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.101 6.339 6.498 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -10.935 6.640 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -12.638 8.240 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -11.295 9.069 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -12.585 8.647 6.332 1.00 0.00 H new ATOM 782 N ASN B 53 -8.587 9.098 0.484 1.00 0.00 N ATOM 783 CA ASN B 53 -7.657 8.924 -0.618 1.00 0.00 C ATOM 784 C ASN B 53 -6.234 9.226 -0.198 1.00 0.00 C ATOM 785 O ASN B 53 -5.917 10.322 0.270 1.00 0.00 O ATOM 786 CB ASN B 53 -8.046 9.784 -1.829 1.00 0.00 C ATOM 787 CG ASN B 53 -8.495 11.192 -1.475 1.00 0.00 C ATOM 788 OD1 ASN B 53 -8.122 11.752 -0.447 1.00 0.00 O ATOM 789 ND2 ASN B 53 -9.298 11.781 -2.342 1.00 0.00 N ATOM 0 H ASN B 53 -8.730 10.065 0.774 1.00 0.00 H new ATOM 0 HA ASN B 53 -7.712 7.876 -0.913 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.193 9.846 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -8.848 9.285 -2.372 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -9.628 12.730 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -9.588 11.287 -3.186 1.00 0.00 H new ATOM 796 N TRP B 54 -5.376 8.237 -0.350 1.00 0.00 N ATOM 797 CA TRP B 54 -3.973 8.409 -0.082 1.00 0.00 C ATOM 798 C TRP B 54 -3.160 7.639 -1.115 1.00 0.00 C ATOM 799 O TRP B 54 -3.691 6.762 -1.804 1.00 0.00 O ATOM 800 CB TRP B 54 -3.640 7.978 1.347 1.00 0.00 C ATOM 801 CG TRP B 54 -3.700 6.506 1.599 1.00 0.00 C ATOM 802 CD1 TRP B 54 -4.813 5.735 1.780 1.00 0.00 C ATOM 803 CD2 TRP B 54 -2.578 5.638 1.728 1.00 0.00 C ATOM 804 NE1 TRP B 54 -4.447 4.430 2.012 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.074 4.346 1.982 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.196 5.829 1.644 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.230 3.254 2.159 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.368 4.746 1.819 1.00 0.00 C ATOM 809 CH2 TRP B 54 -0.884 3.472 2.073 1.00 0.00 C ATOM 0 H TRP B 54 -5.635 7.301 -0.661 1.00 0.00 H new ATOM 0 HA TRP B 54 -3.713 9.464 -0.164 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -2.638 8.332 1.592 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.329 8.475 2.029 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -5.830 6.097 1.746 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.087 3.653 2.179 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -0.787 6.809 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -2.625 2.269 2.357 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.702 4.882 1.759 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.205 2.643 2.204 1.00 0.00 H new ATOM 820 N GLY B 55 -1.890 7.979 -1.237 1.00 0.00 N ATOM 821 CA GLY B 55 -1.077 7.410 -2.283 1.00 0.00 C ATOM 822 C GLY B 55 0.200 6.794 -1.764 1.00 0.00 C ATOM 823 O GLY B 55 0.764 7.252 -0.769 1.00 0.00 O ATOM 0 H GLY B 55 -1.407 8.640 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.653 6.650 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -0.832 8.186 -3.009 1.00 0.00 H new ATOM 827 N ILE B 56 0.639 5.739 -2.424 1.00 0.00 N ATOM 828 CA ILE B 56 1.948 5.174 -2.176 1.00 0.00 C ATOM 829 C ILE B 56 2.859 5.511 -3.345 1.00 0.00 C ATOM 830 O ILE B 56 2.395 5.645 -4.482 1.00 0.00 O ATOM 831 CB ILE B 56 1.866 3.653 -1.988 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.813 3.334 -0.934 1.00 0.00 C ATOM 833 CG2 ILE B 56 3.217 3.080 -1.575 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.342 1.910 -0.966 1.00 0.00 C ATOM 0 H ILE B 56 0.101 5.254 -3.142 1.00 0.00 H new ATOM 0 HA ILE B 56 2.351 5.600 -1.257 1.00 0.00 H new ATOM 0 HB ILE B 56 1.585 3.195 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.222 3.550 0.053 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.043 3.994 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE B 56 3.131 2.001 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.956 3.297 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.532 3.532 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.406 1.757 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.097 1.694 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE B 56 1.187 1.243 -0.793 1.00 0.00 H new ATOM 846 N PHE B 57 4.139 5.674 -3.065 1.00 0.00 N ATOM 847 CA PHE B 57 5.080 6.181 -4.057 1.00 0.00 C ATOM 848 C PHE B 57 6.285 5.263 -4.194 1.00 0.00 C ATOM 849 O PHE B 57 6.714 4.675 -3.215 1.00 0.00 O ATOM 850 CB PHE B 57 5.482 7.601 -3.651 1.00 0.00 C ATOM 851 CG PHE B 57 4.262 8.461 -3.495 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.704 9.083 -4.596 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.629 8.586 -2.271 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.542 9.823 -4.479 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.463 9.310 -2.150 1.00 0.00 C ATOM 856 CZ PHE B 57 1.919 9.931 -3.253 1.00 0.00 C ATOM 0 H PHE B 57 4.555 5.463 -2.158 1.00 0.00 H new ATOM 0 HA PHE B 57 4.609 6.208 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE B 57 6.040 7.575 -2.715 1.00 0.00 H new ATOM 0 HB3 PHE B 57 6.143 8.029 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.182 8.990 -5.560 1.00 0.00 H new ATOM 0 HD2 PHE B 57 4.054 8.110 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE B 57 2.123 10.315 -5.345 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.975 9.391 -1.190 1.00 0.00 H new ATOM 0 HZ PHE B 57 1.007 10.501 -3.158 1.00 0.00 H new ATOM 866 N VAL B 58 6.820 5.120 -5.413 1.00 0.00 N ATOM 867 CA VAL B 58 7.962 4.260 -5.626 1.00 0.00 C ATOM 868 C VAL B 58 9.017 5.000 -6.430 1.00 0.00 C ATOM 869 O VAL B 58 8.701 5.696 -7.395 1.00 0.00 O ATOM 870 CB VAL B 58 7.568 2.942 -6.328 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.172 3.175 -7.781 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.697 1.929 -6.224 1.00 0.00 C ATOM 0 H VAL B 58 6.476 5.589 -6.251 1.00 0.00 H new ATOM 0 HA VAL B 58 8.371 3.993 -4.651 1.00 0.00 H new ATOM 0 HB VAL B 58 6.693 2.539 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.901 2.225 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.320 3.853 -7.822 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.011 3.614 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.404 1.005 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.592 2.331 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.906 1.723 -5.174 1.00 0.00 H new ATOM 882 N ASN B 59 10.270 4.878 -5.996 1.00 0.00 N ATOM 883 CA ASN B 59 11.398 5.588 -6.598 1.00 0.00 C ATOM 884 C ASN B 59 11.200 7.091 -6.462 1.00 0.00 C ATOM 885 O ASN B 59 11.932 7.882 -7.054 1.00 0.00 O ATOM 886 CB ASN B 59 11.577 5.234 -8.078 1.00 0.00 C ATOM 887 CG ASN B 59 11.324 3.774 -8.381 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.198 2.920 -8.217 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.122 3.493 -8.853 1.00 0.00 N ATOM 0 H ASN B 59 10.533 4.280 -5.212 1.00 0.00 H new ATOM 0 HA ASN B 59 12.297 5.278 -6.065 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.899 5.844 -8.675 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.591 5.491 -8.385 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.883 2.533 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.434 4.236 -8.970 1.00 0.00 H new ATOM 896 N GLY B 60 10.205 7.479 -5.673 1.00 0.00 N ATOM 897 CA GLY B 60 9.900 8.870 -5.509 1.00 0.00 C ATOM 898 C GLY B 60 8.708 9.306 -6.344 1.00 0.00 C ATOM 899 O GLY B 60 8.285 10.460 -6.287 1.00 0.00 O ATOM 0 H GLY B 60 9.606 6.844 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.697 9.073 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.771 9.465 -5.786 1.00 0.00 H new ATOM 903 N GLU B 61 8.173 8.375 -7.118 1.00 0.00 N ATOM 904 CA GLU B 61 7.037 8.627 -7.986 1.00 0.00 C ATOM 905 C GLU B 61 5.813 7.962 -7.417 1.00 0.00 C ATOM 906 O GLU B 61 5.913 7.281 -6.428 1.00 0.00 O ATOM 907 CB GLU B 61 7.292 8.052 -9.367 1.00 0.00 C ATOM 908 CG GLU B 61 7.969 9.009 -10.328 1.00 0.00 C ATOM 909 CD GLU B 61 7.690 8.665 -11.775 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.142 7.595 -12.240 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 7.002 9.459 -12.451 1.00 0.00 O ATOM 0 H GLU B 61 8.519 7.416 -7.161 1.00 0.00 H new ATOM 0 HA GLU B 61 6.888 9.704 -8.058 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.909 7.159 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.342 7.736 -9.797 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.628 10.024 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.045 8.994 -10.154 1.00 0.00 H new ATOM 918 N LYS B 62 4.666 8.135 -8.042 1.00 0.00 N ATOM 919 CA LYS B 62 3.475 7.402 -7.634 1.00 0.00 C ATOM 920 C LYS B 62 3.698 5.902 -7.841 1.00 0.00 C ATOM 921 O LYS B 62 4.639 5.492 -8.524 1.00 0.00 O ATOM 922 CB LYS B 62 2.265 7.884 -8.441 1.00 0.00 C ATOM 923 CG LYS B 62 0.938 7.308 -7.977 1.00 0.00 C ATOM 924 CD LYS B 62 0.436 8.013 -6.732 1.00 0.00 C ATOM 925 CE LYS B 62 -0.029 9.425 -7.049 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.244 9.428 -7.906 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.529 8.770 -8.828 1.00 0.00 H new ATOM 0 HA LYS B 62 3.280 7.584 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.215 8.971 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.415 7.624 -9.489 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.200 7.402 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.053 6.243 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.387 7.446 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.230 8.048 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.238 9.956 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.772 9.967 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.786 10.299 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.963 9.384 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.834 8.603 -7.675 1.00 0.00 H new ATOM 940 N VAL B 63 2.892 5.091 -7.180 1.00 0.00 N ATOM 941 CA VAL B 63 2.837 3.669 -7.475 1.00 0.00 C ATOM 942 C VAL B 63 1.470 3.104 -7.110 1.00 0.00 C ATOM 943 O VAL B 63 1.109 2.004 -7.525 1.00 0.00 O ATOM 944 CB VAL B 63 3.943 2.879 -6.736 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.659 2.770 -5.248 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.118 1.500 -7.351 1.00 0.00 C ATOM 0 H VAL B 63 2.265 5.393 -6.434 1.00 0.00 H new ATOM 0 HA VAL B 63 3.005 3.556 -8.546 1.00 0.00 H new ATOM 0 HB VAL B 63 4.874 3.433 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.459 2.208 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.604 3.768 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.711 2.255 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.900 0.960 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.181 0.947 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.398 1.602 -8.399 1.00 0.00 H new ATOM 956 N TYR B 64 0.689 3.880 -6.368 1.00 0.00 N ATOM 957 CA TYR B 64 -0.564 3.382 -5.832 1.00 0.00 C ATOM 958 C TYR B 64 -1.483 4.539 -5.458 1.00 0.00 C ATOM 959 O TYR B 64 -1.082 5.465 -4.756 1.00 0.00 O ATOM 960 CB TYR B 64 -0.260 2.532 -4.603 1.00 0.00 C ATOM 961 CG TYR B 64 -1.171 1.348 -4.375 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.455 1.304 -4.893 1.00 0.00 C ATOM 963 CD2 TYR B 64 -0.735 0.268 -3.617 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.279 0.220 -4.659 1.00 0.00 C ATOM 965 CE2 TYR B 64 -1.552 -0.817 -3.378 1.00 0.00 C ATOM 966 CZ TYR B 64 -2.823 -0.835 -3.900 1.00 0.00 C ATOM 967 OH TYR B 64 -3.642 -1.913 -3.667 1.00 0.00 O ATOM 0 H TYR B 64 0.902 4.848 -6.127 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.072 2.780 -6.585 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.764 2.167 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.303 3.173 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.817 2.129 -5.488 1.00 0.00 H new ATOM 0 HD2 TYR B 64 0.264 0.279 -3.207 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.278 0.200 -5.070 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.196 -1.646 -2.785 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.096 -2.715 -3.530 1.00 0.00 H new ATOM 977 N THR B 65 -2.703 4.470 -5.951 1.00 0.00 N ATOM 978 CA THR B 65 -3.723 5.484 -5.689 1.00 0.00 C ATOM 979 C THR B 65 -5.069 4.802 -5.463 1.00 0.00 C ATOM 980 O THR B 65 -5.524 4.038 -6.320 1.00 0.00 O ATOM 981 CB THR B 65 -3.846 6.468 -6.871 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.570 7.056 -7.159 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.858 7.563 -6.567 1.00 0.00 C ATOM 0 H THR B 65 -3.024 3.708 -6.548 1.00 0.00 H new ATOM 0 HA THR B 65 -3.429 6.044 -4.801 1.00 0.00 H new ATOM 0 HB THR B 65 -4.192 5.909 -7.740 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.389 6.991 -8.120 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.925 8.243 -7.417 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.834 7.115 -6.383 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.540 8.117 -5.684 1.00 0.00 H new ATOM 991 N PHE B 66 -5.706 5.059 -4.322 1.00 0.00 N ATOM 992 CA PHE B 66 -6.905 4.340 -3.967 1.00 0.00 C ATOM 993 C PHE B 66 -7.576 4.925 -2.745 1.00 0.00 C ATOM 994 O PHE B 66 -6.965 5.630 -1.938 1.00 0.00 O ATOM 995 CB PHE B 66 -6.580 2.873 -3.712 1.00 0.00 C ATOM 996 CG PHE B 66 -5.544 2.627 -2.662 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.202 2.833 -2.912 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.925 2.133 -1.438 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.254 2.554 -1.954 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.986 1.857 -0.466 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.645 2.065 -0.724 1.00 0.00 C ATOM 0 H PHE B 66 -5.407 5.756 -3.640 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.596 4.429 -4.806 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.497 2.358 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.242 2.424 -4.646 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -3.892 3.218 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -6.971 1.959 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.207 2.717 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.299 1.479 0.496 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.906 1.846 0.033 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.849 4.636 -2.661 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.654 4.947 -1.503 1.00 0.00 C ATOM 1013 C ASN B 67 -9.936 3.681 -0.703 1.00 0.00 C ATOM 1014 O ASN B 67 -9.795 2.574 -1.225 1.00 0.00 O ATOM 1015 CB ASN B 67 -10.967 5.601 -1.931 1.00 0.00 C ATOM 1016 CG ASN B 67 -10.786 7.046 -2.349 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -11.003 7.960 -1.415 1.00 0.00 O flip ATOM 1018 ND2 ASN B 67 -10.465 7.339 -3.499 1.00 0.00 N flip ATOM 0 H ASN B 67 -9.366 4.170 -3.407 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.103 5.646 -0.873 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.397 5.038 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.680 5.551 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -10.307 6.603 -4.188 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -10.356 8.318 -3.764 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.342 3.839 0.542 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.534 2.705 1.440 1.00 0.00 C ATOM 1027 C GLU B 68 -11.608 1.728 0.928 1.00 0.00 C ATOM 1028 O GLU B 68 -11.375 0.514 0.883 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.888 3.224 2.831 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.776 4.047 3.474 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.570 3.215 3.875 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.593 2.628 4.978 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -7.595 3.142 3.100 1.00 0.00 O ATOM 0 H GLU B 68 -10.548 4.746 0.961 1.00 0.00 H new ATOM 0 HA GLU B 68 -9.602 2.141 1.483 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.789 3.834 2.764 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.123 2.378 3.477 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.458 4.823 2.778 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.170 4.552 4.356 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.767 2.261 0.529 1.00 0.00 N ATOM 1041 CA LYS B 69 -13.883 1.447 0.027 1.00 0.00 C ATOM 1042 C LYS B 69 -13.508 0.679 -1.241 1.00 0.00 C ATOM 1043 O LYS B 69 -14.105 -0.349 -1.558 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.097 2.332 -0.267 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.322 1.549 -0.726 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.496 2.456 -1.069 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.021 3.190 0.154 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.257 3.959 -0.151 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.959 3.263 0.544 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.126 0.725 0.807 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.351 2.896 0.630 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -14.830 3.058 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.061 0.951 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -16.621 0.854 0.059 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.187 3.181 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -18.298 1.862 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.226 2.472 0.948 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -17.254 3.868 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -19.776 4.145 0.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.002 4.862 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.858 3.408 -0.797 1.00 0.00 H new ATOM 1062 N SER B 70 -12.527 1.186 -1.968 1.00 0.00 N ATOM 1063 CA SER B 70 -12.062 0.537 -3.182 1.00 0.00 C ATOM 1064 C SER B 70 -11.386 -0.803 -2.845 1.00 0.00 C ATOM 1065 O SER B 70 -11.304 -1.696 -3.690 1.00 0.00 O ATOM 1066 CB SER B 70 -11.121 1.488 -3.935 1.00 0.00 C ATOM 1067 OG SER B 70 -10.378 0.817 -4.935 1.00 0.00 O ATOM 0 H SER B 70 -12.035 2.049 -1.737 1.00 0.00 H new ATOM 0 HA SER B 70 -12.907 0.312 -3.833 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.704 2.288 -4.392 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.437 1.956 -3.228 1.00 0.00 H new ATOM 0 HG SER B 70 -9.793 1.456 -5.392 1.00 0.00 H new ATOM 1073 N THR B 71 -10.962 -0.938 -1.584 1.00 0.00 N ATOM 1074 CA THR B 71 -10.387 -2.158 -1.029 1.00 0.00 C ATOM 1075 C THR B 71 -9.110 -2.581 -1.765 1.00 0.00 C ATOM 1076 O THR B 71 -9.136 -3.018 -2.921 1.00 0.00 O ATOM 1077 CB THR B 71 -11.414 -3.309 -0.972 1.00 0.00 C ATOM 1078 OG1 THR B 71 -11.609 -3.909 -2.259 1.00 0.00 O ATOM 1079 CG2 THR B 71 -12.749 -2.808 -0.453 1.00 0.00 C ATOM 0 H THR B 71 -11.013 -0.178 -0.906 1.00 0.00 H new ATOM 0 HA THR B 71 -10.104 -1.927 -0.002 1.00 0.00 H new ATOM 0 HB THR B 71 -11.013 -4.062 -0.293 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.230 -3.328 -2.951 1.00 0.00 H new ATOM 0 HG21 THR B 71 -13.460 -3.634 -0.420 1.00 0.00 H new ATOM 0 HG22 THR B 71 -12.620 -2.400 0.550 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.128 -2.029 -1.115 1.00 0.00 H new ATOM 1087 N VAL B 72 -7.992 -2.478 -1.057 1.00 0.00 N ATOM 1088 CA VAL B 72 -6.670 -2.572 -1.664 1.00 0.00 C ATOM 1089 C VAL B 72 -6.418 -3.921 -2.339 1.00 0.00 C ATOM 1090 O VAL B 72 -5.675 -3.983 -3.305 1.00 0.00 O ATOM 1091 CB VAL B 72 -5.555 -2.284 -0.630 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -5.974 -1.156 0.293 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -5.194 -3.524 0.172 1.00 0.00 C ATOM 0 H VAL B 72 -7.976 -2.327 -0.048 1.00 0.00 H new ATOM 0 HA VAL B 72 -6.644 -1.809 -2.442 1.00 0.00 H new ATOM 0 HB VAL B 72 -4.664 -1.981 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -5.181 -0.963 1.015 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.158 -0.255 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -6.885 -1.437 0.821 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -4.408 -3.279 0.886 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -6.074 -3.879 0.708 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -4.841 -4.304 -0.503 1.00 0.00 H new ATOM 1103 N GLY B 73 -7.060 -4.983 -1.854 1.00 0.00 N ATOM 1104 CA GLY B 73 -6.816 -6.318 -2.390 1.00 0.00 C ATOM 1105 C GLY B 73 -6.976 -6.395 -3.898 1.00 0.00 C ATOM 1106 O GLY B 73 -6.104 -6.908 -4.601 1.00 0.00 O ATOM 0 H GLY B 73 -7.745 -4.945 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -5.807 -6.632 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -7.504 -7.022 -1.922 1.00 0.00 H new ATOM 1110 N ASN B 74 -8.084 -5.867 -4.399 1.00 0.00 N ATOM 1111 CA ASN B 74 -8.346 -5.859 -5.834 1.00 0.00 C ATOM 1112 C ASN B 74 -7.364 -4.937 -6.543 1.00 0.00 C ATOM 1113 O ASN B 74 -6.802 -5.272 -7.591 1.00 0.00 O ATOM 1114 CB ASN B 74 -9.781 -5.403 -6.120 1.00 0.00 C ATOM 1115 CG ASN B 74 -10.824 -6.371 -5.631 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.174 -7.334 -6.315 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -11.353 -6.099 -4.454 1.00 0.00 N ATOM 0 H ASN B 74 -8.817 -5.438 -3.834 1.00 0.00 H new ATOM 0 HA ASN B 74 -8.220 -6.875 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -9.947 -4.434 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -9.902 -5.262 -7.194 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -12.085 -6.698 -4.073 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -11.030 -5.289 -3.924 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.138 -3.783 -5.938 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.288 -2.756 -6.531 1.00 0.00 C ATOM 1126 C ILE B 75 -4.855 -3.252 -6.653 1.00 0.00 C ATOM 1127 O ILE B 75 -4.178 -3.009 -7.649 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.262 -1.471 -5.690 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -7.572 -1.263 -4.935 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.975 -0.283 -6.591 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -7.535 -0.074 -4.029 1.00 0.00 C ATOM 0 H ILE B 75 -7.532 -3.530 -5.032 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.711 -2.539 -7.512 1.00 0.00 H new ATOM 0 HB ILE B 75 -5.471 -1.566 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.384 -1.143 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -7.794 -2.155 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -5.956 0.629 -5.995 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.008 -0.419 -7.076 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.754 -0.205 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -8.493 0.024 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -6.743 -0.203 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.342 0.824 -4.615 1.00 0.00 H new ATOM 1143 N SER B 76 -4.404 -3.931 -5.609 1.00 0.00 N ATOM 1144 CA SER B 76 -3.058 -4.499 -5.551 1.00 0.00 C ATOM 1145 C SER B 76 -2.777 -5.382 -6.758 1.00 0.00 C ATOM 1146 O SER B 76 -1.665 -5.399 -7.268 1.00 0.00 O ATOM 1147 CB SER B 76 -2.865 -5.307 -4.265 1.00 0.00 C ATOM 1148 OG SER B 76 -2.931 -4.476 -3.118 1.00 0.00 O ATOM 0 H SER B 76 -4.961 -4.106 -4.773 1.00 0.00 H new ATOM 0 HA SER B 76 -2.353 -3.668 -5.559 1.00 0.00 H new ATOM 0 HB2 SER B 76 -3.631 -6.080 -4.201 1.00 0.00 H new ATOM 0 HB3 SER B 76 -1.901 -5.815 -4.294 1.00 0.00 H new ATOM 0 HG SER B 76 -3.869 -4.301 -2.894 1.00 0.00 H new ATOM 1154 N ASN B 77 -3.793 -6.098 -7.224 1.00 0.00 N ATOM 1155 CA ASN B 77 -3.660 -6.935 -8.399 1.00 0.00 C ATOM 1156 C ASN B 77 -3.214 -6.118 -9.606 1.00 0.00 C ATOM 1157 O ASN B 77 -2.422 -6.582 -10.429 1.00 0.00 O ATOM 1158 CB ASN B 77 -4.984 -7.621 -8.683 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.128 -8.935 -7.939 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.138 -9.600 -7.630 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.360 -9.323 -7.657 1.00 0.00 N ATOM 0 H ASN B 77 -4.721 -6.112 -6.800 1.00 0.00 H new ATOM 0 HA ASN B 77 -2.896 -7.688 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -5.801 -6.957 -8.402 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -5.074 -7.802 -9.754 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.518 -10.203 -7.166 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.153 -8.742 -7.931 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.732 -4.904 -9.707 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.302 -3.969 -10.751 1.00 0.00 C ATOM 1170 C ASP B 78 -1.917 -3.412 -10.440 1.00 0.00 C ATOM 1171 O ASP B 78 -1.022 -3.441 -11.277 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.286 -2.803 -10.887 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.637 -3.222 -11.419 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.792 -3.305 -12.654 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.554 -3.461 -10.611 1.00 0.00 O1- ATOM 0 H ASP B 78 -4.450 -4.537 -9.083 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.271 -4.523 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.417 -2.331 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.859 -2.051 -11.551 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.762 -2.904 -9.226 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.520 -2.296 -8.762 1.00 0.00 C ATOM 1182 C ILE B 79 0.675 -3.241 -8.886 1.00 0.00 C ATOM 1183 O ILE B 79 1.786 -2.823 -9.195 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.686 -1.851 -7.315 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.845 -0.878 -7.247 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.586 -1.223 -6.767 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.729 0.313 -8.178 1.00 0.00 C ATOM 0 H ILE B 79 -2.504 -2.902 -8.526 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.313 -1.436 -9.399 1.00 0.00 H new ATOM 0 HB ILE B 79 -0.892 -2.722 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.765 -1.414 -7.478 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.936 -0.514 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.425 -0.919 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.398 -1.949 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.848 -0.350 -7.365 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.603 0.954 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.829 0.878 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.671 -0.036 -9.209 1.00 0.00 H new ATOM 1199 N ASN B 80 0.430 -4.521 -8.662 1.00 0.00 N ATOM 1200 CA ASN B 80 1.491 -5.532 -8.689 1.00 0.00 C ATOM 1201 C ASN B 80 2.055 -5.756 -10.090 1.00 0.00 C ATOM 1202 O ASN B 80 3.086 -6.407 -10.247 1.00 0.00 O ATOM 1203 CB ASN B 80 0.980 -6.860 -8.125 1.00 0.00 C ATOM 1204 CG ASN B 80 1.035 -6.919 -6.609 1.00 0.00 C ATOM 1205 OD1 ASN B 80 1.166 -7.993 -6.029 1.00 0.00 O ATOM 1206 ND2 ASN B 80 0.941 -5.768 -5.957 1.00 0.00 N ATOM 0 H ASN B 80 -0.497 -4.893 -8.458 1.00 0.00 H new ATOM 0 HA ASN B 80 2.300 -5.151 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.048 -7.016 -8.452 1.00 0.00 H new ATOM 0 HB3 ASN B 80 1.573 -7.676 -8.537 1.00 0.00 H new ATOM 0 HD21 ASN B 80 0.977 -5.755 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN B 80 0.833 -4.896 -6.475 1.00 0.00 H new ATOM 1213 N LYS B 81 1.395 -5.217 -11.107 1.00 0.00 N ATOM 1214 CA LYS B 81 1.861 -5.393 -12.476 1.00 0.00 C ATOM 1215 C LYS B 81 2.779 -4.237 -12.872 1.00 0.00 C ATOM 1216 O LYS B 81 3.250 -4.152 -14.007 1.00 0.00 O ATOM 1217 CB LYS B 81 0.673 -5.501 -13.443 1.00 0.00 C ATOM 1218 CG LYS B 81 0.139 -4.168 -13.937 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.014 -4.353 -14.912 1.00 0.00 C ATOM 1220 CE LYS B 81 -0.600 -5.159 -16.134 1.00 0.00 C ATOM 1221 NZ LYS B 81 -1.737 -5.384 -17.064 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.545 -4.661 -11.012 1.00 0.00 H new ATOM 0 HA LYS B 81 2.428 -6.322 -12.535 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.974 -6.098 -14.303 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.134 -6.040 -12.948 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.194 -3.572 -13.088 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.941 -3.612 -14.422 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.839 -4.856 -14.408 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -1.382 -3.377 -15.228 1.00 0.00 H new ATOM 0 HE2 LYS B 81 0.200 -4.637 -16.659 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -0.197 -6.120 -15.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -1.412 -5.937 -17.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -2.490 -5.905 -16.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -2.106 -4.468 -17.390 1.00 0.00 H new ATOM 1235 N LEU B 82 3.057 -3.367 -11.911 1.00 0.00 N ATOM 1236 CA LEU B 82 3.836 -2.155 -12.154 1.00 0.00 C ATOM 1237 C LEU B 82 5.330 -2.446 -12.157 1.00 0.00 C ATOM 1238 O LEU B 82 6.143 -1.549 -12.385 1.00 0.00 O ATOM 1239 CB LEU B 82 3.537 -1.107 -11.076 1.00 0.00 C ATOM 1240 CG LEU B 82 2.318 -0.205 -11.308 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.654 0.896 -12.301 1.00 0.00 C ATOM 1242 CD2 LEU B 82 1.114 -0.997 -11.796 1.00 0.00 C ATOM 0 H LEU B 82 2.752 -3.478 -10.944 1.00 0.00 H new ATOM 0 HA LEU B 82 3.550 -1.774 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU B 82 3.400 -1.625 -10.127 1.00 0.00 H new ATOM 0 HB3 LEU B 82 4.415 -0.470 -10.968 1.00 0.00 H new ATOM 0 HG LEU B 82 2.057 0.243 -10.349 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.779 1.527 -12.455 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.473 1.500 -11.911 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.952 0.451 -13.251 1.00 0.00 H new ATOM 0 HD21 LEU B 82 0.272 -0.322 -11.948 1.00 0.00 H new ATOM 0 HD22 LEU B 82 1.359 -1.489 -12.737 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.847 -1.748 -11.053 1.00 0.00 H new ATOM 1254 N ASN B 83 5.670 -3.712 -11.913 1.00 0.00 N ATOM 1255 CA ASN B 83 7.055 -4.141 -11.734 1.00 0.00 C ATOM 1256 C ASN B 83 7.731 -3.268 -10.679 1.00 0.00 C ATOM 1257 O ASN B 83 8.850 -2.782 -10.860 1.00 0.00 O ATOM 1258 CB ASN B 83 7.805 -4.093 -13.068 1.00 0.00 C ATOM 1259 CG ASN B 83 9.201 -4.695 -13.005 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.372 -5.736 -12.204 1.00 0.00 O flip ATOM 1261 ND2 ASN B 83 10.116 -4.237 -13.691 1.00 0.00 N flip ATOM 0 H ASN B 83 4.991 -4.469 -11.834 1.00 0.00 H new ATOM 0 HA ASN B 83 7.073 -5.174 -11.385 1.00 0.00 H new ATOM 0 HB2 ASN B 83 7.223 -4.624 -13.821 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.880 -3.056 -13.396 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.947 -3.434 -14.296 1.00 0.00 H new ATOM 0 HD22 ASN B 83 11.043 -4.661 -13.654 1.00 0.00 H new ATOM 1268 N ILE B 84 7.025 -3.094 -9.568 1.00 0.00 N ATOM 1269 CA ILE B 84 7.407 -2.167 -8.515 1.00 0.00 C ATOM 1270 C ILE B 84 8.815 -2.405 -7.987 1.00 0.00 C ATOM 1271 O ILE B 84 9.180 -3.519 -7.600 1.00 0.00 O ATOM 1272 CB ILE B 84 6.410 -2.270 -7.365 1.00 0.00 C ATOM 1273 CG1 ILE B 84 5.060 -1.825 -7.869 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.844 -1.429 -6.171 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.936 -2.163 -6.931 1.00 0.00 C ATOM 0 H ILE B 84 6.161 -3.600 -9.373 1.00 0.00 H new ATOM 0 HA ILE B 84 7.397 -1.168 -8.951 1.00 0.00 H new ATOM 0 HB ILE B 84 6.361 -3.303 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE B 84 5.077 -0.747 -8.031 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.869 -2.290 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.110 -1.527 -5.371 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.815 -1.774 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.918 -0.383 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.993 -1.816 -7.353 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.894 -3.243 -6.788 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.105 -1.676 -5.970 1.00 0.00 H new ATOM 1287 N LYS B 85 9.593 -1.340 -7.976 1.00 0.00 N ATOM 1288 CA LYS B 85 10.954 -1.373 -7.469 1.00 0.00 C ATOM 1289 C LYS B 85 11.011 -1.003 -5.993 1.00 0.00 C ATOM 1290 O LYS B 85 9.997 -1.015 -5.296 1.00 0.00 O ATOM 1291 CB LYS B 85 11.804 -0.407 -8.275 1.00 0.00 C ATOM 1292 CG LYS B 85 11.985 -0.835 -9.715 1.00 0.00 C ATOM 1293 CD LYS B 85 12.915 -2.035 -9.834 1.00 0.00 C ATOM 1294 CE LYS B 85 14.340 -1.688 -9.425 1.00 0.00 C ATOM 1295 NZ LYS B 85 15.216 -2.886 -9.391 1.00 0.00 N1+ ATOM 0 H LYS B 85 9.300 -0.425 -8.319 1.00 0.00 H new ATOM 0 HA LYS B 85 11.336 -2.389 -7.570 1.00 0.00 H new ATOM 0 HB2 LYS B 85 11.343 0.580 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.783 -0.314 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.015 -1.083 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS B 85 12.388 -0.004 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS B 85 12.544 -2.846 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.910 -2.398 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS B 85 14.750 -0.959 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS B 85 14.331 -1.218 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 16.177 -2.606 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 14.840 -3.572 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 15.246 -3.321 -10.335 1.00 0.00 H new ATOM 1309 N GLY B 86 12.207 -0.691 -5.518 1.00 0.00 N ATOM 1310 CA GLY B 86 12.387 -0.344 -4.123 1.00 0.00 C ATOM 1311 C GLY B 86 13.552 0.607 -3.916 1.00 0.00 C ATOM 1312 O GLY B 86 14.686 0.276 -4.260 1.00 0.00 O ATOM 0 H GLY B 86 13.060 -0.672 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.474 0.114 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.553 -1.252 -3.543 1.00 0.00 H new ATOM 1316 N MET B 87 13.266 1.797 -3.369 1.00 0.00 N ATOM 1317 CA MET B 87 14.304 2.787 -3.070 1.00 0.00 C ATOM 1318 C MET B 87 13.717 4.025 -2.377 1.00 0.00 C ATOM 1319 O MET B 87 14.145 4.373 -1.278 1.00 0.00 O ATOM 1320 CB MET B 87 15.101 3.186 -4.327 1.00 0.00 C ATOM 1321 CG MET B 87 14.305 3.912 -5.397 1.00 0.00 C ATOM 1322 SD MET B 87 15.261 4.200 -6.897 1.00 0.00 S ATOM 1323 CE MET B 87 16.668 5.096 -6.247 1.00 0.00 C ATOM 0 H MET B 87 12.322 2.095 -3.125 1.00 0.00 H new ATOM 0 HA MET B 87 15.001 2.313 -2.379 1.00 0.00 H new ATOM 0 HB2 MET B 87 15.933 3.821 -4.023 1.00 0.00 H new ATOM 0 HB3 MET B 87 15.531 2.285 -4.766 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.418 3.329 -5.643 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.959 4.867 -5.002 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.048 5.778 -7.007 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.363 5.665 -5.369 1.00 0.00 H new ATOM 0 HE3 MET B 87 17.451 4.391 -5.968 1.00 0.00 H new ATOM 1333 N TYR B 88 12.735 4.694 -2.997 1.00 0.00 N ATOM 1334 CA TYR B 88 12.108 5.842 -2.368 1.00 0.00 C ATOM 1335 C TYR B 88 10.592 5.674 -2.368 1.00 0.00 C ATOM 1336 O TYR B 88 9.894 6.188 -3.240 1.00 0.00 O ATOM 1337 CB TYR B 88 12.501 7.141 -3.079 1.00 0.00 C ATOM 1338 CG TYR B 88 12.343 8.371 -2.208 1.00 0.00 C ATOM 1339 CD1 TYR B 88 11.098 8.955 -2.009 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.441 8.941 -1.575 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.953 10.069 -1.206 1.00 0.00 C ATOM 1342 CE2 TYR B 88 13.303 10.058 -0.772 1.00 0.00 C ATOM 1343 CZ TYR B 88 12.057 10.617 -0.590 1.00 0.00 C ATOM 1344 OH TYR B 88 11.911 11.727 0.214 1.00 0.00 O ATOM 0 H TYR B 88 12.369 4.457 -3.919 1.00 0.00 H new ATOM 0 HA TYR B 88 12.459 5.903 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.538 7.068 -3.408 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.890 7.257 -3.974 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.229 8.531 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.419 8.504 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.977 10.509 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR B 88 14.167 10.490 -0.290 1.00 0.00 H new ATOM 0 HH TYR B 88 12.785 11.988 0.573 1.00 0.00 H new ATOM 1354 N ILE B 89 10.106 4.902 -1.417 1.00 0.00 N ATOM 1355 CA ILE B 89 8.682 4.712 -1.226 1.00 0.00 C ATOM 1356 C ILE B 89 8.172 5.615 -0.114 1.00 0.00 C ATOM 1357 O ILE B 89 8.747 5.654 0.968 1.00 0.00 O ATOM 1358 CB ILE B 89 8.352 3.230 -0.892 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.500 2.354 -2.139 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.948 3.092 -0.317 1.00 0.00 C ATOM 1361 CD1 ILE B 89 9.926 2.149 -2.595 1.00 0.00 C ATOM 0 H ILE B 89 10.687 4.388 -0.755 1.00 0.00 H new ATOM 0 HA ILE B 89 8.184 4.974 -2.159 1.00 0.00 H new ATOM 0 HB ILE B 89 9.062 2.893 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE B 89 8.052 1.381 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.933 2.804 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.748 2.044 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.870 3.679 0.598 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.220 3.454 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.937 1.517 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE B 89 10.375 3.114 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE B 89 10.496 1.668 -1.801 1.00 0.00 H new ATOM 1373 N GLU B 90 7.118 6.365 -0.385 1.00 0.00 N ATOM 1374 CA GLU B 90 6.504 7.178 0.650 1.00 0.00 C ATOM 1375 C GLU B 90 5.103 6.680 0.939 1.00 0.00 C ATOM 1376 O GLU B 90 4.560 5.847 0.209 1.00 0.00 O ATOM 1377 CB GLU B 90 6.415 8.649 0.263 1.00 0.00 C ATOM 1378 CG GLU B 90 7.657 9.213 -0.401 1.00 0.00 C ATOM 1379 CD GLU B 90 7.479 10.666 -0.780 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.374 11.517 0.132 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.431 10.968 -1.988 1.00 0.00 O1- ATOM 0 H GLU B 90 6.674 6.428 -1.301 1.00 0.00 H new ATOM 0 HA GLU B 90 7.140 7.091 1.531 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.569 8.781 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU B 90 6.203 9.233 1.159 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.507 9.115 0.274 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.889 8.630 -1.292 1.00 0.00 H new ATOM 1388 N ILE B 91 4.524 7.233 1.983 1.00 0.00 N ATOM 1389 CA ILE B 91 3.191 6.868 2.440 1.00 0.00 C ATOM 1390 C ILE B 91 2.479 8.127 2.915 1.00 0.00 C ATOM 1391 O ILE B 91 2.844 8.690 3.950 1.00 0.00 O ATOM 1392 CB ILE B 91 3.255 5.878 3.626 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.918 4.553 3.221 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.870 5.632 4.214 1.00 0.00 C ATOM 1395 CD1 ILE B 91 3.139 3.758 2.193 1.00 0.00 C ATOM 0 H ILE B 91 4.967 7.958 2.548 1.00 0.00 H new ATOM 0 HA ILE B 91 2.662 6.395 1.613 1.00 0.00 H new ATOM 0 HB ILE B 91 3.874 6.337 4.397 1.00 0.00 H new ATOM 0 HG12 ILE B 91 4.912 4.763 2.825 1.00 0.00 H new ATOM 0 HG13 ILE B 91 4.053 3.940 4.112 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.947 4.932 5.046 1.00 0.00 H new ATOM 0 HG22 ILE B 91 1.453 6.574 4.570 1.00 0.00 H new ATOM 0 HG23 ILE B 91 1.218 5.214 3.447 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.675 2.838 1.962 1.00 0.00 H new ATOM 0 HD12 ILE B 91 2.154 3.514 2.592 1.00 0.00 H new ATOM 0 HD13 ILE B 91 3.026 4.350 1.285 1.00 0.00 H new ATOM 1407 N LYS B 92 1.484 8.578 2.174 1.00 0.00 N ATOM 1408 CA LYS B 92 0.826 9.841 2.494 1.00 0.00 C ATOM 1409 C LYS B 92 -0.460 10.039 1.706 1.00 0.00 C ATOM 1410 O LYS B 92 -0.622 9.521 0.602 1.00 0.00 O ATOM 1411 CB LYS B 92 1.775 11.007 2.211 1.00 0.00 C ATOM 1412 CG LYS B 92 2.307 11.003 0.791 1.00 0.00 C ATOM 1413 CD LYS B 92 3.526 11.902 0.643 1.00 0.00 C ATOM 1414 CE LYS B 92 3.941 12.040 -0.815 1.00 0.00 C ATOM 1415 NZ LYS B 92 5.180 12.847 -0.972 1.00 0.00 N1+ ATOM 0 H LYS B 92 1.113 8.098 1.354 1.00 0.00 H new ATOM 0 HA LYS B 92 0.567 9.810 3.552 1.00 0.00 H new ATOM 0 HB2 LYS B 92 1.254 11.946 2.396 1.00 0.00 H new ATOM 0 HB3 LYS B 92 2.612 10.965 2.908 1.00 0.00 H new ATOM 0 HG2 LYS B 92 2.569 9.985 0.504 1.00 0.00 H new ATOM 0 HG3 LYS B 92 1.525 11.336 0.109 1.00 0.00 H new ATOM 0 HD2 LYS B 92 3.306 12.887 1.055 1.00 0.00 H new ATOM 0 HD3 LYS B 92 4.354 11.493 1.221 1.00 0.00 H new ATOM 0 HE2 LYS B 92 4.098 11.049 -1.242 1.00 0.00 H new ATOM 0 HE3 LYS B 92 3.132 12.505 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 5.500 12.802 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.985 13.836 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.922 12.468 -0.350 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.368 10.790 2.310 1.00 0.00 N ATOM 1430 CA GLN B 93 -2.590 11.229 1.668 1.00 0.00 C ATOM 1431 C GLN B 93 -2.278 12.106 0.463 1.00 0.00 C ATOM 1432 O GLN B 93 -1.272 12.817 0.434 1.00 0.00 O ATOM 1433 CB GLN B 93 -3.478 11.970 2.683 1.00 0.00 C ATOM 1434 CG GLN B 93 -2.698 12.825 3.678 1.00 0.00 C ATOM 1435 CD GLN B 93 -2.102 14.075 3.064 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.702 14.703 2.192 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -0.896 14.420 3.482 1.00 0.00 N ATOM 0 H GLN B 93 -1.272 11.114 3.272 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.135 10.357 1.308 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.178 12.607 2.142 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.071 11.240 3.233 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.360 13.111 4.496 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -1.897 12.225 4.111 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -0.432 13.873 4.207 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -0.430 15.233 3.079 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.136 12.034 -0.526 1.00 0.00 N ATOM 1447 CA ILE B 94 -2.944 12.756 -1.764 1.00 0.00 C ATOM 1448 C ILE B 94 -3.879 13.951 -1.849 1.00 0.00 C ATOM 1449 O ILE B 94 -5.106 13.753 -1.922 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.140 11.820 -2.971 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.259 10.820 -2.676 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -1.842 11.091 -3.267 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.533 9.848 -3.804 1.00 0.00 C ATOM 1454 OXT ILE B 94 -3.378 15.094 -1.824 1.00 0.00 O ATOM 0 H ILE B 94 -3.988 11.474 -0.497 1.00 0.00 H new ATOM 0 HA ILE B 94 -1.921 13.131 -1.783 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.420 12.408 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.001 10.256 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.174 11.370 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -1.983 10.429 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.061 11.816 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.548 10.503 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.339 9.174 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.824 10.400 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.633 9.269 -4.012 1.00 0.00 H new TER 1466 ILE B 94