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 53 ASN :FLIP amide:sc= 0.386 F(o=-5!,f=-2) USER MOD Set 1.2: B 67 ASN :FLIP amide:sc= -2.38! F(o=-5,f=-2!) USER MOD Set 2.1: B 62 LYS NZ :NH3+ -158:sc= 1.88 (180deg=0.906) USER MOD Set 2.2: B 65 THR OG1 : rot 180:sc= 0.695 USER MOD Set 3.1: B 24 LYS NZ :NH3+ 163:sc= -0.809 (180deg=-1.66) USER MOD Set 3.2: B 48 SER OG : rot 98:sc= -1.44! USER MOD Set 4.1: B 45 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: B 69 LYS NZ :NH3+ 167:sc= -0.0111 (180deg=-0.188) USER MOD Set 5.1: B 42 ASN : amide:sc= 0.891 K(o=2.4,f=1.8) USER MOD Set 5.2: B 71 THR OG1 : rot 21:sc= 0.478 USER MOD Set 5.3: B 74 ASN : amide:sc= 1.05 K(o=2.4,f=1.8) USER MOD Set 6.1: B 32 ASN : amide:sc= -0.743 X(o=-0.52,f=-0.21) USER MOD Set 6.2: B 35 GLN : amide:sc= 0.221 X(o=-0.52,f=-0.21) USER MOD Set 7.1: B 28 SER OG : rot 160:sc= 0.936 USER MOD Set 7.2: B 39 THR OG1 : rot 20:sc= 1.13 USER MOD Set 8.1: B 9 GLN : amide:sc= -0.288 K(o=-1,f=-7.3!) USER MOD Set 8.2: B 14 ASN : amide:sc= -0.721 X(o=-1,f=-0.6) USER MOD Set 9.1: B 1 ASP N :NH3+ -104:sc= 0.041 (180deg=-0.111) USER MOD Set 9.2: B 2 ASN : amide:sc= -0.309 K(o=-0.27,f=-3!) USER MOD Single : B 3 GLN : amide:sc= -1.46! C(o=-1.5!,f=-4.6!) USER MOD Single : B 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0826) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 ASN : amide:sc= -0.0303 X(o=-0.03,f=-0.19) USER MOD Single : B 12 SER OG : rot 150:sc= 0.844 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN :FLIP amide:sc= -0.743 F(o=-2.8!,f=-0.74) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.0228 K(o=-0.023,f=-0.56) USER MOD Single : B 22 LYS NZ :NH3+ 164:sc= -0.0169 (180deg=-0.216) USER MOD Single : B 26 LYS NZ :NH3+ 160:sc= -0.799 (180deg=-1.44) USER MOD Single : B 30 SER OG : rot 6:sc= 0.335 USER MOD Single : B 31 MET CE :methyl -159:sc= -0.201 (180deg=-0.845) USER MOD Single : B 34 ASN : amide:sc= 0.286 K(o=0.29,f=-1.1) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 29:sc= 0.963 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0129 USER MOD Single : B 49 TYR OH : rot 51:sc= -2.16! USER MOD Single : B 52 LYS NZ :NH3+ 177:sc= 0.774 (180deg=0.74) USER MOD Single : B 59 ASN :FLIP amide:sc= -1.7! C(o=-3.3!,f=-1.7!) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 4:sc= 0.776 USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 77 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.012) USER MOD Single : B 80 ASN : amide:sc= 0.293 X(o=0.29,f=0.018) USER MOD Single : B 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0718) USER MOD Single : B 83 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 163:sc= -0.0141 (180deg=-0.206) USER MOD Single : B 93 GLN :FLIP amide:sc= -1.27! C(o=-2.9!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 9.473 -8.114 10.143 1.00 0.00 N ATOM 2 CA ASP B 1 10.335 -6.952 10.464 1.00 0.00 C ATOM 3 C ASP B 1 11.796 -7.311 10.242 1.00 0.00 C ATOM 4 O ASP B 1 12.569 -7.465 11.191 1.00 0.00 O ATOM 5 CB ASP B 1 10.114 -6.502 11.910 1.00 0.00 C ATOM 6 CG ASP B 1 8.676 -6.115 12.177 1.00 0.00 C ATOM 7 OD1 ASP B 1 7.861 -7.015 12.453 1.00 0.00 O ATOM 8 OD2 ASP B 1 8.352 -4.910 12.096 1.00 0.00 O1- ATOM 0 H1 ASP B 1 9.015 -7.962 9.222 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.053 -8.976 10.103 1.00 0.00 H new ATOM 0 H3 ASP B 1 8.745 -8.220 10.878 1.00 0.00 H new ATOM 0 HA ASP B 1 10.069 -6.127 9.803 1.00 0.00 H new ATOM 0 HB2 ASP B 1 10.403 -7.306 12.587 1.00 0.00 H new ATOM 0 HB3 ASP B 1 10.763 -5.653 12.127 1.00 0.00 H new ATOM 15 N ASN B 2 12.166 -7.454 8.979 1.00 0.00 N ATOM 16 CA ASN B 2 13.513 -7.863 8.614 1.00 0.00 C ATOM 17 C ASN B 2 14.429 -6.653 8.558 1.00 0.00 C ATOM 18 O ASN B 2 14.458 -5.930 7.563 1.00 0.00 O ATOM 19 CB ASN B 2 13.514 -8.588 7.261 1.00 0.00 C ATOM 20 CG ASN B 2 12.684 -9.863 7.263 1.00 0.00 C ATOM 21 OD1 ASN B 2 11.679 -9.974 7.969 1.00 0.00 O ATOM 22 ND2 ASN B 2 13.097 -10.838 6.470 1.00 0.00 N ATOM 0 H ASN B 2 11.547 -7.291 8.185 1.00 0.00 H new ATOM 0 HA ASN B 2 13.880 -8.553 9.374 1.00 0.00 H new ATOM 0 HB2 ASN B 2 13.131 -7.914 6.495 1.00 0.00 H new ATOM 0 HB3 ASN B 2 14.541 -8.831 6.987 1.00 0.00 H new ATOM 0 HD21 ASN B 2 12.579 -11.716 6.429 1.00 0.00 H new ATOM 0 HD22 ASN B 2 13.933 -10.712 5.899 1.00 0.00 H new ATOM 29 N GLN B 3 15.180 -6.444 9.629 1.00 0.00 N ATOM 30 CA GLN B 3 16.041 -5.274 9.753 1.00 0.00 C ATOM 31 C GLN B 3 17.182 -5.313 8.737 1.00 0.00 C ATOM 32 O GLN B 3 17.701 -4.273 8.334 1.00 0.00 O ATOM 33 CB GLN B 3 16.603 -5.150 11.178 1.00 0.00 C ATOM 34 CG GLN B 3 17.605 -6.231 11.566 1.00 0.00 C ATOM 35 CD GLN B 3 16.972 -7.594 11.753 1.00 0.00 C ATOM 36 OE1 GLN B 3 16.861 -8.375 10.811 1.00 0.00 O ATOM 37 NE2 GLN B 3 16.550 -7.887 12.970 1.00 0.00 N ATOM 0 H GLN B 3 15.211 -7.074 10.431 1.00 0.00 H new ATOM 0 HA GLN B 3 15.429 -4.397 9.545 1.00 0.00 H new ATOM 0 HB2 GLN B 3 17.082 -4.176 11.281 1.00 0.00 H new ATOM 0 HB3 GLN B 3 15.773 -5.173 11.884 1.00 0.00 H new ATOM 0 HG2 GLN B 3 18.374 -6.297 10.796 1.00 0.00 H new ATOM 0 HG3 GLN B 3 18.104 -5.940 12.490 1.00 0.00 H new ATOM 0 HE21 GLN B 3 16.661 -7.210 13.725 1.00 0.00 H new ATOM 0 HE22 GLN B 3 16.113 -8.790 13.155 1.00 0.00 H new ATOM 46 N LYS B 4 17.565 -6.511 8.316 1.00 0.00 N ATOM 47 CA LYS B 4 18.616 -6.683 7.348 1.00 0.00 C ATOM 48 C LYS B 4 18.114 -6.347 5.943 1.00 0.00 C ATOM 49 O LYS B 4 18.899 -6.064 5.041 1.00 0.00 O ATOM 50 CB LYS B 4 19.097 -8.128 7.421 1.00 0.00 C ATOM 51 CG LYS B 4 20.197 -8.452 6.444 1.00 0.00 C ATOM 52 CD LYS B 4 21.501 -7.755 6.804 1.00 0.00 C ATOM 53 CE LYS B 4 22.588 -8.025 5.773 1.00 0.00 C ATOM 54 NZ LYS B 4 22.929 -9.469 5.674 1.00 0.00 N1+ ATOM 0 H LYS B 4 17.150 -7.384 8.641 1.00 0.00 H new ATOM 0 HA LYS B 4 19.442 -6.007 7.568 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.449 -8.333 8.432 1.00 0.00 H new ATOM 0 HB3 LYS B 4 18.253 -8.792 7.237 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.356 -9.530 6.421 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.891 -8.154 5.441 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.330 -6.681 6.880 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.837 -8.095 7.784 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.258 -7.665 4.799 1.00 0.00 H new ATOM 0 HE3 LYS B 4 23.483 -7.460 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.762 -9.588 5.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 23.139 -9.842 6.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 22.125 -9.989 5.268 1.00 0.00 H new ATOM 68 N ALA B 5 16.799 -6.353 5.770 1.00 0.00 N ATOM 69 CA ALA B 5 16.206 -6.130 4.459 1.00 0.00 C ATOM 70 C ALA B 5 15.578 -4.743 4.357 1.00 0.00 C ATOM 71 O ALA B 5 14.796 -4.478 3.444 1.00 0.00 O ATOM 72 CB ALA B 5 15.169 -7.203 4.163 1.00 0.00 C ATOM 0 H ALA B 5 16.125 -6.509 6.519 1.00 0.00 H new ATOM 0 HA ALA B 5 17.002 -6.189 3.717 1.00 0.00 H new ATOM 0 HB1 ALA B 5 14.732 -7.026 3.180 1.00 0.00 H new ATOM 0 HB2 ALA B 5 15.645 -8.183 4.177 1.00 0.00 H new ATOM 0 HB3 ALA B 5 14.385 -7.170 4.920 1.00 0.00 H new ATOM 78 N LEU B 6 15.950 -3.848 5.273 1.00 0.00 N ATOM 79 CA LEU B 6 15.385 -2.493 5.311 1.00 0.00 C ATOM 80 C LEU B 6 15.741 -1.693 4.062 1.00 0.00 C ATOM 81 O LEU B 6 15.238 -0.587 3.862 1.00 0.00 O ATOM 82 CB LEU B 6 15.858 -1.737 6.553 1.00 0.00 C ATOM 83 CG LEU B 6 15.364 -2.296 7.887 1.00 0.00 C ATOM 84 CD1 LEU B 6 15.882 -1.453 9.039 1.00 0.00 C ATOM 85 CD2 LEU B 6 13.844 -2.359 7.917 1.00 0.00 C ATOM 0 H LEU B 6 16.640 -4.034 6.000 1.00 0.00 H new ATOM 0 HA LEU B 6 14.301 -2.605 5.349 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.948 -1.732 6.562 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.535 -0.699 6.471 1.00 0.00 H new ATOM 0 HG LEU B 6 15.750 -3.310 7.996 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.521 -1.864 9.982 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.972 -1.460 9.034 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.525 -0.429 8.930 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.515 -2.760 8.876 1.00 0.00 H new ATOM 0 HD22 LEU B 6 13.436 -1.357 7.783 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.491 -3.005 7.113 1.00 0.00 H new ATOM 97 N GLU B 7 16.620 -2.251 3.238 1.00 0.00 N ATOM 98 CA GLU B 7 16.968 -1.651 1.960 1.00 0.00 C ATOM 99 C GLU B 7 15.712 -1.451 1.119 1.00 0.00 C ATOM 100 O GLU B 7 15.417 -0.340 0.676 1.00 0.00 O ATOM 101 CB GLU B 7 17.963 -2.543 1.216 1.00 0.00 C ATOM 102 CG GLU B 7 19.176 -2.916 2.053 1.00 0.00 C ATOM 103 CD GLU B 7 20.189 -3.735 1.285 1.00 0.00 C ATOM 104 OE1 GLU B 7 21.075 -3.137 0.639 1.00 0.00 O ATOM 105 OE2 GLU B 7 20.119 -4.980 1.339 1.00 0.00 O1- ATOM 0 H GLU B 7 17.107 -3.125 3.436 1.00 0.00 H new ATOM 0 HA GLU B 7 17.431 -0.681 2.139 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.456 -3.454 0.897 1.00 0.00 H new ATOM 0 HB3 GLU B 7 18.296 -2.030 0.314 1.00 0.00 H new ATOM 0 HG2 GLU B 7 19.653 -2.007 2.419 1.00 0.00 H new ATOM 0 HG3 GLU B 7 18.849 -3.478 2.928 1.00 0.00 H new ATOM 112 N GLU B 8 14.970 -2.533 0.911 1.00 0.00 N ATOM 113 CA GLU B 8 13.718 -2.466 0.195 1.00 0.00 C ATOM 114 C GLU B 8 12.551 -2.328 1.157 1.00 0.00 C ATOM 115 O GLU B 8 11.509 -1.766 0.824 1.00 0.00 O ATOM 116 CB GLU B 8 13.529 -3.699 -0.678 1.00 0.00 C ATOM 117 CG GLU B 8 14.678 -3.957 -1.630 1.00 0.00 C ATOM 118 CD GLU B 8 14.381 -5.090 -2.584 1.00 0.00 C ATOM 119 OE1 GLU B 8 14.534 -6.260 -2.185 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 13.983 -4.815 -3.734 1.00 0.00 O ATOM 0 H GLU B 8 15.222 -3.467 1.233 1.00 0.00 H new ATOM 0 HA GLU B 8 13.747 -1.584 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU B 8 13.399 -4.570 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU B 8 12.610 -3.587 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU B 8 14.888 -3.051 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU B 8 15.576 -4.191 -1.059 1.00 0.00 H new ATOM 127 N GLN B 9 12.747 -2.844 2.351 1.00 0.00 N ATOM 128 CA GLN B 9 11.741 -2.762 3.404 1.00 0.00 C ATOM 129 C GLN B 9 11.796 -1.392 4.065 1.00 0.00 C ATOM 130 O GLN B 9 12.176 -1.252 5.228 1.00 0.00 O ATOM 131 CB GLN B 9 11.938 -3.874 4.436 1.00 0.00 C ATOM 132 CG GLN B 9 11.546 -5.253 3.926 1.00 0.00 C ATOM 133 CD GLN B 9 10.047 -5.407 3.733 1.00 0.00 C ATOM 134 OE1 GLN B 9 9.594 -6.111 2.830 1.00 0.00 O ATOM 135 NE2 GLN B 9 9.266 -4.785 4.604 1.00 0.00 N ATOM 0 H GLN B 9 13.601 -3.331 2.625 1.00 0.00 H new ATOM 0 HA GLN B 9 10.756 -2.897 2.958 1.00 0.00 H new ATOM 0 HB2 GLN B 9 12.984 -3.893 4.743 1.00 0.00 H new ATOM 0 HB3 GLN B 9 11.349 -3.643 5.324 1.00 0.00 H new ATOM 0 HG2 GLN B 9 12.051 -5.442 2.978 1.00 0.00 H new ATOM 0 HG3 GLN B 9 11.896 -6.008 4.629 1.00 0.00 H new ATOM 0 HE21 GLN B 9 9.678 -4.210 5.339 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.253 -4.881 4.540 1.00 0.00 H new ATOM 144 N MET B 10 11.424 -0.386 3.292 1.00 0.00 N ATOM 145 CA MET B 10 11.428 0.989 3.745 1.00 0.00 C ATOM 146 C MET B 10 10.345 1.180 4.801 1.00 0.00 C ATOM 147 O MET B 10 9.287 0.563 4.702 1.00 0.00 O ATOM 148 CB MET B 10 11.202 1.907 2.534 1.00 0.00 C ATOM 149 CG MET B 10 11.511 3.379 2.765 1.00 0.00 C ATOM 150 SD MET B 10 10.243 4.238 3.715 1.00 0.00 S ATOM 151 CE MET B 10 10.907 5.901 3.725 1.00 0.00 C ATOM 0 H MET B 10 11.110 -0.504 2.329 1.00 0.00 H new ATOM 0 HA MET B 10 12.386 1.242 4.200 1.00 0.00 H new ATOM 0 HB2 MET B 10 11.817 1.549 1.708 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.162 1.816 2.220 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.465 3.465 3.286 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.629 3.873 1.801 1.00 0.00 H new ATOM 0 HE1 MET B 10 10.235 6.558 4.277 1.00 0.00 H new ATOM 0 HE2 MET B 10 11.886 5.899 4.204 1.00 0.00 H new ATOM 0 HE3 MET B 10 11.005 6.260 2.700 1.00 0.00 H new ATOM 161 N ASN B 11 10.622 1.991 5.819 1.00 0.00 N ATOM 162 CA ASN B 11 9.725 2.169 6.963 1.00 0.00 C ATOM 163 C ASN B 11 8.251 2.263 6.564 1.00 0.00 C ATOM 164 O ASN B 11 7.384 1.668 7.210 1.00 0.00 O ATOM 165 CB ASN B 11 10.112 3.420 7.756 1.00 0.00 C ATOM 166 CG ASN B 11 11.502 3.331 8.347 1.00 0.00 C ATOM 167 OD1 ASN B 11 12.480 3.726 7.713 1.00 0.00 O ATOM 168 ND2 ASN B 11 11.602 2.817 9.563 1.00 0.00 N ATOM 0 H ASN B 11 11.476 2.546 5.876 1.00 0.00 H new ATOM 0 HA ASN B 11 9.841 1.278 7.580 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.054 4.291 7.103 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.390 3.574 8.558 1.00 0.00 H new ATOM 0 HD21 ASN B 11 12.516 2.737 10.009 1.00 0.00 H new ATOM 0 HD22 ASN B 11 10.765 2.501 10.054 1.00 0.00 H new ATOM 175 N SER B 12 7.972 2.968 5.475 1.00 0.00 N ATOM 176 CA SER B 12 6.601 3.258 5.096 1.00 0.00 C ATOM 177 C SER B 12 5.912 2.022 4.531 1.00 0.00 C ATOM 178 O SER B 12 4.689 1.941 4.532 1.00 0.00 O ATOM 179 CB SER B 12 6.559 4.405 4.092 1.00 0.00 C ATOM 180 OG SER B 12 7.206 5.555 4.609 1.00 0.00 O ATOM 0 H SER B 12 8.677 3.347 4.842 1.00 0.00 H new ATOM 0 HA SER B 12 6.059 3.560 5.992 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.041 4.098 3.164 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.523 4.644 3.850 1.00 0.00 H new ATOM 0 HG SER B 12 7.597 6.069 3.872 1.00 0.00 H new ATOM 186 N ILE B 13 6.697 1.051 4.068 1.00 0.00 N ATOM 187 CA ILE B 13 6.146 -0.215 3.603 1.00 0.00 C ATOM 188 C ILE B 13 5.372 -0.871 4.734 1.00 0.00 C ATOM 189 O ILE B 13 4.256 -1.364 4.560 1.00 0.00 O ATOM 190 CB ILE B 13 7.257 -1.191 3.159 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.123 -0.577 2.064 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.662 -2.513 2.687 1.00 0.00 C ATOM 193 CD1 ILE B 13 7.487 -0.599 0.687 1.00 0.00 C ATOM 0 H ILE B 13 7.713 1.119 4.006 1.00 0.00 H new ATOM 0 HA ILE B 13 5.500 -0.001 2.751 1.00 0.00 H new ATOM 0 HB ILE B 13 7.891 -1.387 4.024 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.350 0.455 2.331 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.072 -1.112 2.023 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.464 -3.184 2.379 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.099 -2.970 3.501 1.00 0.00 H new ATOM 0 HG23 ILE B 13 5.997 -2.332 1.843 1.00 0.00 H new ATOM 0 HD11 ILE B 13 8.166 -0.145 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.285 -1.630 0.396 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.552 -0.038 0.709 1.00 0.00 H new ATOM 205 N ASN B 14 5.987 -0.838 5.904 1.00 0.00 N ATOM 206 CA ASN B 14 5.444 -1.471 7.093 1.00 0.00 C ATOM 207 C ASN B 14 4.233 -0.686 7.563 1.00 0.00 C ATOM 208 O ASN B 14 3.249 -1.250 8.043 1.00 0.00 O ATOM 209 CB ASN B 14 6.503 -1.514 8.204 1.00 0.00 C ATOM 210 CG ASN B 14 7.910 -1.779 7.691 1.00 0.00 C ATOM 211 OD1 ASN B 14 8.890 -1.332 8.285 1.00 0.00 O ATOM 212 ND2 ASN B 14 8.026 -2.503 6.587 1.00 0.00 N ATOM 0 H ASN B 14 6.880 -0.370 6.056 1.00 0.00 H new ATOM 0 HA ASN B 14 5.150 -2.494 6.856 1.00 0.00 H new ATOM 0 HB2 ASN B 14 6.493 -0.566 8.741 1.00 0.00 H new ATOM 0 HB3 ASN B 14 6.234 -2.289 8.921 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.950 -2.705 6.204 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.192 -2.858 6.120 1.00 0.00 H new ATOM 219 N SER B 15 4.323 0.627 7.403 1.00 0.00 N ATOM 220 CA SER B 15 3.239 1.520 7.742 1.00 0.00 C ATOM 221 C SER B 15 2.027 1.236 6.854 1.00 0.00 C ATOM 222 O SER B 15 0.907 1.148 7.346 1.00 0.00 O ATOM 223 CB SER B 15 3.700 2.975 7.599 1.00 0.00 C ATOM 224 OG SER B 15 2.740 3.882 8.111 1.00 0.00 O ATOM 0 H SER B 15 5.150 1.096 7.035 1.00 0.00 H new ATOM 0 HA SER B 15 2.944 1.354 8.778 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.645 3.110 8.125 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.885 3.196 6.548 1.00 0.00 H new ATOM 0 HG SER B 15 3.068 4.800 8.005 1.00 0.00 H new ATOM 230 N VAL B 16 2.265 1.068 5.547 1.00 0.00 N ATOM 231 CA VAL B 16 1.201 0.717 4.602 1.00 0.00 C ATOM 232 C VAL B 16 0.519 -0.578 5.025 1.00 0.00 C ATOM 233 O VAL B 16 -0.712 -0.659 5.069 1.00 0.00 O ATOM 234 CB VAL B 16 1.735 0.542 3.160 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.643 0.027 2.232 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.306 1.843 2.623 1.00 0.00 C ATOM 0 H VAL B 16 3.186 1.170 5.121 1.00 0.00 H new ATOM 0 HA VAL B 16 0.490 1.543 4.613 1.00 0.00 H new ATOM 0 HB VAL B 16 2.537 -0.196 3.196 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.045 -0.087 1.225 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.285 -0.938 2.591 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.184 0.737 2.214 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.673 1.688 1.608 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.528 2.606 2.615 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.128 2.170 3.260 1.00 0.00 H new ATOM 246 N ASN B 17 1.336 -1.578 5.342 1.00 0.00 N ATOM 247 CA ASN B 17 0.843 -2.880 5.777 1.00 0.00 C ATOM 248 C ASN B 17 -0.109 -2.733 6.959 1.00 0.00 C ATOM 249 O ASN B 17 -1.223 -3.254 6.936 1.00 0.00 O ATOM 250 CB ASN B 17 2.020 -3.792 6.150 1.00 0.00 C ATOM 251 CG ASN B 17 1.595 -5.134 6.733 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.442 -5.638 6.321 1.00 0.00 O flip ATOM 253 ND2 ASN B 17 2.307 -5.715 7.552 1.00 0.00 N flip ATOM 0 H ASN B 17 2.353 -1.509 5.305 1.00 0.00 H new ATOM 0 HA ASN B 17 0.293 -3.332 4.952 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.627 -3.968 5.262 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.653 -3.276 6.872 1.00 0.00 H new ATOM 0 HD21 ASN B 17 3.190 -5.298 7.847 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.014 -6.614 7.935 1.00 0.00 H new ATOM 260 N ASP B 18 0.323 -2.004 7.974 1.00 0.00 N ATOM 261 CA ASP B 18 -0.470 -1.834 9.176 1.00 0.00 C ATOM 262 C ASP B 18 -1.680 -0.946 8.917 1.00 0.00 C ATOM 263 O ASP B 18 -2.766 -1.212 9.417 1.00 0.00 O ATOM 264 CB ASP B 18 0.384 -1.243 10.290 1.00 0.00 C ATOM 265 CG ASP B 18 0.579 -2.208 11.438 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.425 -2.601 12.071 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 1.741 -2.589 11.708 1.00 0.00 O ATOM 0 H ASP B 18 1.221 -1.520 7.988 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.830 -2.816 9.484 1.00 0.00 H new ATOM 0 HB2 ASP B 18 1.357 -0.959 9.888 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.086 -0.332 10.660 1.00 0.00 H new ATOM 272 N LYS B 19 -1.489 0.091 8.111 1.00 0.00 N ATOM 273 CA LYS B 19 -2.525 1.045 7.794 1.00 0.00 C ATOM 274 C LYS B 19 -3.714 0.374 7.119 1.00 0.00 C ATOM 275 O LYS B 19 -4.866 0.539 7.529 1.00 0.00 O ATOM 276 CB LYS B 19 -1.894 2.070 6.868 1.00 0.00 C ATOM 277 CG LYS B 19 -2.847 2.754 5.937 1.00 0.00 C ATOM 278 CD LYS B 19 -3.711 3.768 6.652 1.00 0.00 C ATOM 279 CE LYS B 19 -4.732 4.381 5.712 1.00 0.00 C ATOM 280 NZ LYS B 19 -5.368 5.588 6.301 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.597 0.289 7.658 1.00 0.00 H new ATOM 0 HA LYS B 19 -2.909 1.510 8.702 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.396 2.827 7.474 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.123 1.577 6.276 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.286 3.250 5.145 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -3.483 2.009 5.459 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.223 3.289 7.487 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.082 4.553 7.072 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -4.248 4.647 4.772 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -5.499 3.643 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -6.059 5.979 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.851 5.329 7.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.639 6.302 6.501 1.00 0.00 H new ATOM 294 N LEU B 20 -3.424 -0.373 6.073 1.00 0.00 N ATOM 295 CA LEU B 20 -4.458 -1.015 5.289 1.00 0.00 C ATOM 296 C LEU B 20 -5.043 -2.236 6.001 1.00 0.00 C ATOM 297 O LEU B 20 -6.093 -2.738 5.605 1.00 0.00 O ATOM 298 CB LEU B 20 -3.921 -1.403 3.915 1.00 0.00 C ATOM 299 CG LEU B 20 -3.497 -0.230 3.024 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.036 -0.730 1.665 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.636 0.769 2.871 1.00 0.00 C ATOM 0 H LEU B 20 -2.475 -0.551 5.745 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.267 -0.295 5.163 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.064 -2.063 4.051 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.686 -1.977 3.393 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.660 0.278 3.504 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.739 0.117 1.047 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.186 -1.401 1.793 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.851 -1.266 1.179 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.314 1.594 2.235 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.495 0.275 2.417 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.916 1.155 3.851 1.00 0.00 H new ATOM 313 N ASN B 21 -4.387 -2.693 7.060 1.00 0.00 N ATOM 314 CA ASN B 21 -4.861 -3.857 7.806 1.00 0.00 C ATOM 315 C ASN B 21 -5.191 -3.491 9.253 1.00 0.00 C ATOM 316 O ASN B 21 -4.404 -3.738 10.170 1.00 0.00 O ATOM 317 CB ASN B 21 -3.813 -4.971 7.782 1.00 0.00 C ATOM 318 CG ASN B 21 -4.281 -6.224 8.502 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.467 -6.545 8.505 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.354 -6.937 9.119 1.00 0.00 N ATOM 0 H ASN B 21 -3.528 -2.279 7.423 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.772 -4.210 7.323 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.573 -5.218 6.748 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -2.894 -4.611 8.245 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -3.614 -7.787 9.620 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.379 -6.638 9.094 1.00 0.00 H new ATOM 327 N LYS B 22 -6.360 -2.898 9.454 1.00 0.00 N ATOM 328 CA LYS B 22 -6.814 -2.532 10.796 1.00 0.00 C ATOM 329 C LYS B 22 -8.270 -2.930 10.998 1.00 0.00 C ATOM 330 O LYS B 22 -9.009 -2.284 11.739 1.00 0.00 O ATOM 331 CB LYS B 22 -6.640 -1.033 11.048 1.00 0.00 C ATOM 332 CG LYS B 22 -5.196 -0.571 10.955 1.00 0.00 C ATOM 333 CD LYS B 22 -5.042 0.901 11.297 1.00 0.00 C ATOM 334 CE LYS B 22 -5.174 1.150 12.791 1.00 0.00 C ATOM 335 NZ LYS B 22 -4.022 0.596 13.551 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.013 -2.659 8.708 1.00 0.00 H new ATOM 0 HA LYS B 22 -6.198 -3.074 11.514 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.239 -0.478 10.325 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -7.029 -0.791 12.037 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -4.582 -1.166 11.631 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -4.824 -0.749 9.946 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -4.069 1.254 10.954 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -5.797 1.479 10.764 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -5.248 2.222 12.975 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -6.098 0.700 13.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -4.005 1.009 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -4.118 -0.437 13.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.137 0.828 13.057 1.00 0.00 H new ATOM 349 N GLY B 23 -8.675 -3.996 10.326 1.00 0.00 N ATOM 350 CA GLY B 23 -10.022 -4.505 10.485 1.00 0.00 C ATOM 351 C GLY B 23 -10.943 -4.107 9.356 1.00 0.00 C ATOM 352 O GLY B 23 -12.075 -3.685 9.592 1.00 0.00 O ATOM 0 H GLY B 23 -8.094 -4.520 9.671 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.988 -5.592 10.552 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.433 -4.141 11.427 1.00 0.00 H new ATOM 356 N LYS B 24 -10.467 -4.233 8.129 1.00 0.00 N ATOM 357 CA LYS B 24 -11.292 -3.938 6.968 1.00 0.00 C ATOM 358 C LYS B 24 -12.010 -5.215 6.537 1.00 0.00 C ATOM 359 O LYS B 24 -12.396 -6.032 7.378 1.00 0.00 O ATOM 360 CB LYS B 24 -10.446 -3.404 5.801 1.00 0.00 C ATOM 361 CG LYS B 24 -9.138 -2.720 6.199 1.00 0.00 C ATOM 362 CD LYS B 24 -9.365 -1.452 7.007 1.00 0.00 C ATOM 363 CE LYS B 24 -8.108 -0.600 7.080 1.00 0.00 C ATOM 364 NZ LYS B 24 -7.677 -0.122 5.733 1.00 0.00 N1+ ATOM 0 H LYS B 24 -9.518 -4.536 7.910 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.013 -3.167 7.239 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -10.214 -4.234 5.133 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.048 -2.696 5.232 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -8.532 -3.414 6.781 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -8.571 -2.477 5.300 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -10.172 -0.873 6.557 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -9.685 -1.715 8.015 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -8.288 0.257 7.728 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -7.304 -1.179 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -7.011 0.669 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -7.211 -0.899 5.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.508 0.197 5.195 1.00 0.00 H new ATOM 378 N GLY B 25 -12.206 -5.378 5.235 1.00 0.00 N ATOM 379 CA GLY B 25 -12.758 -6.612 4.719 1.00 0.00 C ATOM 380 C GLY B 25 -11.754 -7.751 4.723 1.00 0.00 C ATOM 381 O GLY B 25 -10.899 -7.828 5.603 1.00 0.00 O ATOM 0 H GLY B 25 -11.992 -4.675 4.527 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -13.625 -6.895 5.316 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -13.112 -6.449 3.701 1.00 0.00 H new ATOM 385 N LYS B 26 -11.840 -8.637 3.739 1.00 0.00 N ATOM 386 CA LYS B 26 -10.955 -9.788 3.695 1.00 0.00 C ATOM 387 C LYS B 26 -9.705 -9.436 2.909 1.00 0.00 C ATOM 388 O LYS B 26 -9.775 -9.224 1.702 1.00 0.00 O ATOM 389 CB LYS B 26 -11.666 -10.989 3.061 1.00 0.00 C ATOM 390 CG LYS B 26 -13.071 -11.213 3.599 1.00 0.00 C ATOM 391 CD LYS B 26 -13.461 -12.690 3.670 1.00 0.00 C ATOM 392 CE LYS B 26 -13.467 -13.376 2.307 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.123 -13.895 1.926 1.00 0.00 N1+ ATOM 0 H LYS B 26 -12.507 -8.580 2.969 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.673 -10.060 4.712 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.717 -10.843 1.982 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -11.072 -11.886 3.234 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -13.146 -10.776 4.595 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -13.784 -10.686 2.965 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.767 -13.211 4.329 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -14.451 -12.777 4.118 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -14.181 -14.200 2.321 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -13.809 -12.671 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.228 -14.624 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.541 -13.115 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.661 -14.308 2.761 1.00 0.00 H new ATOM 407 N LEU B 27 -8.573 -9.342 3.596 1.00 0.00 N ATOM 408 CA LEU B 27 -7.339 -8.918 2.991 1.00 0.00 C ATOM 409 C LEU B 27 -6.156 -9.396 3.830 1.00 0.00 C ATOM 410 O LEU B 27 -6.171 -9.280 5.055 1.00 0.00 O ATOM 411 CB LEU B 27 -7.335 -7.396 2.896 1.00 0.00 C ATOM 412 CG LEU B 27 -5.964 -6.793 2.695 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.481 -7.022 1.270 1.00 0.00 C ATOM 414 CD2 LEU B 27 -5.968 -5.314 3.046 1.00 0.00 C ATOM 0 H LEU B 27 -8.496 -9.560 4.589 1.00 0.00 H new ATOM 0 HA LEU B 27 -7.250 -9.347 1.993 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.978 -7.093 2.070 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -7.771 -6.985 3.807 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.267 -7.291 3.369 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.492 -6.580 1.146 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.428 -8.092 1.071 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.176 -6.557 0.571 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.971 -4.901 2.894 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.679 -4.790 2.407 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -6.257 -5.188 4.089 1.00 0.00 H new ATOM 426 N SER B 28 -5.145 -9.947 3.176 1.00 0.00 N ATOM 427 CA SER B 28 -3.952 -10.402 3.873 1.00 0.00 C ATOM 428 C SER B 28 -2.687 -9.888 3.194 1.00 0.00 C ATOM 429 O SER B 28 -2.223 -10.454 2.207 1.00 0.00 O ATOM 430 CB SER B 28 -3.940 -11.926 3.932 1.00 0.00 C ATOM 431 OG SER B 28 -3.986 -12.492 2.636 1.00 0.00 O ATOM 0 H SER B 28 -5.127 -10.090 2.166 1.00 0.00 H new ATOM 0 HA SER B 28 -3.972 -10.002 4.887 1.00 0.00 H new ATOM 0 HB2 SER B 28 -3.041 -12.265 4.447 1.00 0.00 H new ATOM 0 HB3 SER B 28 -4.792 -12.276 4.514 1.00 0.00 H new ATOM 0 HG SER B 28 -3.662 -13.416 2.671 1.00 0.00 H new ATOM 437 N LEU B 29 -2.128 -8.818 3.729 1.00 0.00 N ATOM 438 CA LEU B 29 -0.951 -8.199 3.139 1.00 0.00 C ATOM 439 C LEU B 29 0.319 -8.904 3.587 1.00 0.00 C ATOM 440 O LEU B 29 0.381 -9.488 4.668 1.00 0.00 O ATOM 441 CB LEU B 29 -0.858 -6.727 3.530 1.00 0.00 C ATOM 442 CG LEU B 29 -2.095 -5.879 3.228 1.00 0.00 C ATOM 443 CD1 LEU B 29 -2.001 -4.533 3.922 1.00 0.00 C ATOM 444 CD2 LEU B 29 -2.252 -5.681 1.732 1.00 0.00 C ATOM 0 H LEU B 29 -2.469 -8.357 4.573 1.00 0.00 H new ATOM 0 HA LEU B 29 -1.050 -8.284 2.057 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -0.651 -6.667 4.599 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -0.004 -6.287 3.015 1.00 0.00 H new ATOM 0 HG LEU B 29 -2.970 -6.408 3.606 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.890 -3.944 3.695 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.930 -4.683 4.999 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.115 -4.003 3.571 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.137 -5.076 1.536 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.371 -5.174 1.338 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.361 -6.651 1.246 1.00 0.00 H new ATOM 456 N SER B 30 1.319 -8.854 2.734 1.00 0.00 N ATOM 457 CA SER B 30 2.634 -9.355 3.033 1.00 0.00 C ATOM 458 C SER B 30 3.676 -8.527 2.296 1.00 0.00 C ATOM 459 O SER B 30 3.443 -8.081 1.168 1.00 0.00 O ATOM 460 CB SER B 30 2.737 -10.808 2.637 1.00 0.00 C ATOM 461 OG SER B 30 1.956 -11.626 3.492 1.00 0.00 O ATOM 0 H SER B 30 1.235 -8.456 1.798 1.00 0.00 H new ATOM 0 HA SER B 30 2.815 -9.276 4.105 1.00 0.00 H new ATOM 0 HB2 SER B 30 2.404 -10.932 1.606 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.779 -11.126 2.676 1.00 0.00 H new ATOM 0 HG SER B 30 1.437 -11.061 4.102 1.00 0.00 H new ATOM 467 N MET B 31 4.820 -8.326 2.924 1.00 0.00 N ATOM 468 CA MET B 31 5.835 -7.438 2.383 1.00 0.00 C ATOM 469 C MET B 31 7.034 -8.222 1.877 1.00 0.00 C ATOM 470 O MET B 31 7.570 -9.081 2.578 1.00 0.00 O ATOM 471 CB MET B 31 6.293 -6.446 3.449 1.00 0.00 C ATOM 472 CG MET B 31 5.172 -5.604 4.033 1.00 0.00 C ATOM 473 SD MET B 31 5.733 -4.553 5.387 1.00 0.00 S ATOM 474 CE MET B 31 6.208 -5.787 6.596 1.00 0.00 C ATOM 0 H MET B 31 5.071 -8.765 3.810 1.00 0.00 H new ATOM 0 HA MET B 31 5.392 -6.897 1.547 1.00 0.00 H new ATOM 0 HB2 MET B 31 6.779 -6.994 4.256 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.043 -5.784 3.016 1.00 0.00 H new ATOM 0 HG2 MET B 31 4.742 -4.982 3.248 1.00 0.00 H new ATOM 0 HG3 MET B 31 4.378 -6.259 4.391 1.00 0.00 H new ATOM 0 HE1 MET B 31 6.218 -5.338 7.589 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.493 -6.609 6.577 1.00 0.00 H new ATOM 0 HE3 MET B 31 7.202 -6.165 6.358 1.00 0.00 H new ATOM 484 N ASN B 32 7.447 -7.919 0.659 1.00 0.00 N ATOM 485 CA ASN B 32 8.628 -8.532 0.071 1.00 0.00 C ATOM 486 C ASN B 32 9.438 -7.467 -0.665 1.00 0.00 C ATOM 487 O ASN B 32 9.659 -7.556 -1.872 1.00 0.00 O ATOM 488 CB ASN B 32 8.215 -9.674 -0.875 1.00 0.00 C ATOM 489 CG ASN B 32 9.392 -10.389 -1.529 1.00 0.00 C ATOM 490 OD1 ASN B 32 9.288 -10.856 -2.665 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.506 -10.499 -0.819 1.00 0.00 N ATOM 0 H ASN B 32 6.978 -7.246 0.052 1.00 0.00 H new ATOM 0 HA ASN B 32 9.251 -8.960 0.856 1.00 0.00 H new ATOM 0 HB2 ASN B 32 7.626 -10.401 -0.316 1.00 0.00 H new ATOM 0 HB3 ASN B 32 7.568 -9.271 -1.654 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.314 -10.983 -1.210 1.00 0.00 H new ATOM 0 HD22 ASN B 32 10.555 -10.100 0.118 1.00 0.00 H new ATOM 498 N GLY B 33 9.872 -6.459 0.092 1.00 0.00 N ATOM 499 CA GLY B 33 10.660 -5.361 -0.449 1.00 0.00 C ATOM 500 C GLY B 33 10.031 -4.709 -1.662 1.00 0.00 C ATOM 501 O GLY B 33 9.157 -3.856 -1.536 1.00 0.00 O ATOM 0 H GLY B 33 9.686 -6.384 1.092 1.00 0.00 H new ATOM 0 HA2 GLY B 33 10.801 -4.608 0.327 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.649 -5.731 -0.717 1.00 0.00 H new ATOM 505 N ASN B 34 10.477 -5.129 -2.838 1.00 0.00 N ATOM 506 CA ASN B 34 9.993 -4.574 -4.092 1.00 0.00 C ATOM 507 C ASN B 34 8.636 -5.157 -4.472 1.00 0.00 C ATOM 508 O ASN B 34 8.075 -4.814 -5.504 1.00 0.00 O ATOM 509 CB ASN B 34 11.001 -4.824 -5.223 1.00 0.00 C ATOM 510 CG ASN B 34 11.314 -6.296 -5.424 1.00 0.00 C ATOM 511 OD1 ASN B 34 10.615 -7.001 -6.153 1.00 0.00 O ATOM 512 ND2 ASN B 34 12.386 -6.762 -4.801 1.00 0.00 N ATOM 0 H ASN B 34 11.180 -5.860 -2.948 1.00 0.00 H new ATOM 0 HA ASN B 34 9.878 -3.500 -3.949 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.606 -4.412 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN B 34 11.925 -4.288 -5.004 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.659 -7.738 -4.917 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.938 -6.145 -4.206 1.00 0.00 H new ATOM 519 N GLN B 35 8.113 -6.055 -3.655 1.00 0.00 N ATOM 520 CA GLN B 35 6.791 -6.596 -3.909 1.00 0.00 C ATOM 521 C GLN B 35 5.883 -6.423 -2.711 1.00 0.00 C ATOM 522 O GLN B 35 6.317 -6.454 -1.556 1.00 0.00 O ATOM 523 CB GLN B 35 6.847 -8.072 -4.286 1.00 0.00 C ATOM 524 CG GLN B 35 7.730 -8.355 -5.481 1.00 0.00 C ATOM 525 CD GLN B 35 7.567 -9.763 -6.015 1.00 0.00 C ATOM 526 OE1 GLN B 35 6.747 -10.010 -6.897 1.00 0.00 O ATOM 527 NE2 GLN B 35 8.341 -10.696 -5.486 1.00 0.00 N ATOM 0 H GLN B 35 8.576 -6.420 -2.823 1.00 0.00 H new ATOM 0 HA GLN B 35 6.384 -6.034 -4.750 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.210 -8.644 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.837 -8.423 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.500 -7.643 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.772 -8.196 -5.202 1.00 0.00 H new ATOM 0 HE21 GLN B 35 9.009 -10.450 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN B 35 8.270 -11.661 -5.808 1.00 0.00 H new ATOM 536 N LEU B 36 4.616 -6.269 -3.010 1.00 0.00 N ATOM 537 CA LEU B 36 3.584 -6.159 -1.998 1.00 0.00 C ATOM 538 C LEU B 36 2.500 -7.161 -2.338 1.00 0.00 C ATOM 539 O LEU B 36 1.736 -6.975 -3.283 1.00 0.00 O ATOM 540 CB LEU B 36 3.012 -4.738 -1.951 1.00 0.00 C ATOM 541 CG LEU B 36 2.334 -4.320 -0.632 1.00 0.00 C ATOM 542 CD1 LEU B 36 1.031 -5.077 -0.409 1.00 0.00 C ATOM 543 CD2 LEU B 36 3.274 -4.528 0.548 1.00 0.00 C ATOM 0 H LEU B 36 4.266 -6.216 -3.967 1.00 0.00 H new ATOM 0 HA LEU B 36 4.000 -6.369 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.820 -4.037 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.286 -4.634 -2.757 1.00 0.00 H new ATOM 0 HG LEU B 36 2.097 -3.259 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.580 -4.757 0.530 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.345 -4.870 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.234 -6.147 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.775 -4.226 1.469 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.549 -5.581 0.613 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.172 -3.926 0.408 1.00 0.00 H new ATOM 555 N LYS B 37 2.447 -8.218 -1.565 1.00 0.00 N ATOM 556 CA LYS B 37 1.610 -9.359 -1.886 1.00 0.00 C ATOM 557 C LYS B 37 0.420 -9.394 -0.948 1.00 0.00 C ATOM 558 O LYS B 37 0.523 -8.954 0.195 1.00 0.00 O ATOM 559 CB LYS B 37 2.426 -10.648 -1.763 1.00 0.00 C ATOM 560 CG LYS B 37 3.863 -10.490 -2.245 1.00 0.00 C ATOM 561 CD LYS B 37 4.636 -11.797 -2.214 1.00 0.00 C ATOM 562 CE LYS B 37 4.735 -12.368 -0.808 1.00 0.00 C ATOM 563 NZ LYS B 37 5.509 -13.635 -0.779 1.00 0.00 N1+ ATOM 0 H LYS B 37 2.978 -8.316 -0.699 1.00 0.00 H new ATOM 0 HA LYS B 37 1.248 -9.271 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.431 -10.971 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS B 37 1.940 -11.436 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.860 -10.098 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.373 -9.756 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS B 37 4.149 -12.522 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.638 -11.635 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS B 37 5.209 -11.638 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS B 37 3.733 -12.545 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 5.554 -13.992 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 5.043 -14.340 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 6.473 -13.461 -1.128 1.00 0.00 H new ATOM 577 N ALA B 38 -0.702 -9.905 -1.426 1.00 0.00 N ATOM 578 CA ALA B 38 -1.917 -9.935 -0.628 1.00 0.00 C ATOM 579 C ALA B 38 -2.996 -10.774 -1.290 1.00 0.00 C ATOM 580 O ALA B 38 -3.019 -10.908 -2.513 1.00 0.00 O ATOM 581 CB ALA B 38 -2.430 -8.520 -0.414 1.00 0.00 C ATOM 0 H ALA B 38 -0.797 -10.304 -2.360 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.675 -10.389 0.333 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -3.340 -8.550 0.185 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -1.673 -7.933 0.106 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.645 -8.061 -1.379 1.00 0.00 H new ATOM 587 N THR B 39 -3.876 -11.357 -0.486 1.00 0.00 N ATOM 588 CA THR B 39 -5.077 -11.960 -1.014 1.00 0.00 C ATOM 589 C THR B 39 -6.277 -11.286 -0.384 1.00 0.00 C ATOM 590 O THR B 39 -6.267 -10.989 0.812 1.00 0.00 O ATOM 591 CB THR B 39 -5.126 -13.480 -0.784 1.00 0.00 C ATOM 592 OG1 THR B 39 -4.638 -13.815 0.520 1.00 0.00 O ATOM 593 CG2 THR B 39 -4.313 -14.213 -1.836 1.00 0.00 C ATOM 0 H THR B 39 -3.775 -11.421 0.527 1.00 0.00 H new ATOM 0 HA THR B 39 -5.085 -11.815 -2.094 1.00 0.00 H new ATOM 0 HB THR B 39 -6.168 -13.791 -0.862 1.00 0.00 H new ATOM 0 HG1 THR B 39 -4.678 -13.024 1.097 1.00 0.00 H new ATOM 0 HG21 THR B 39 -4.363 -15.286 -1.652 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.717 -13.995 -2.825 1.00 0.00 H new ATOM 0 HG23 THR B 39 -3.275 -13.885 -1.787 1.00 0.00 H new ATOM 601 N SER B 40 -7.290 -11.014 -1.179 1.00 0.00 N ATOM 602 CA SER B 40 -8.394 -10.200 -0.719 1.00 0.00 C ATOM 603 C SER B 40 -9.699 -10.612 -1.377 1.00 0.00 C ATOM 604 O SER B 40 -9.713 -11.174 -2.474 1.00 0.00 O ATOM 605 CB SER B 40 -8.098 -8.731 -1.014 1.00 0.00 C ATOM 606 OG SER B 40 -9.093 -7.870 -0.484 1.00 0.00 O ATOM 0 H SER B 40 -7.372 -11.342 -2.141 1.00 0.00 H new ATOM 0 HA SER B 40 -8.505 -10.345 0.356 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.128 -8.465 -0.594 1.00 0.00 H new ATOM 0 HB3 SER B 40 -8.029 -8.585 -2.092 1.00 0.00 H new ATOM 0 HG SER B 40 -9.492 -8.281 0.311 1.00 0.00 H new ATOM 612 N SER B 41 -10.789 -10.331 -0.688 1.00 0.00 N ATOM 613 CA SER B 41 -12.109 -10.608 -1.201 1.00 0.00 C ATOM 614 C SER B 41 -13.075 -9.519 -0.770 1.00 0.00 C ATOM 615 O SER B 41 -12.892 -8.865 0.266 1.00 0.00 O ATOM 616 CB SER B 41 -12.593 -11.966 -0.716 1.00 0.00 C ATOM 617 OG SER B 41 -13.896 -12.260 -1.190 1.00 0.00 O ATOM 0 H SER B 41 -10.780 -9.906 0.239 1.00 0.00 H new ATOM 0 HA SER B 41 -12.064 -10.627 -2.290 1.00 0.00 H new ATOM 0 HB2 SER B 41 -11.901 -12.739 -1.051 1.00 0.00 H new ATOM 0 HB3 SER B 41 -12.590 -11.985 0.374 1.00 0.00 H new ATOM 0 HG SER B 41 -14.173 -13.140 -0.860 1.00 0.00 H new ATOM 623 N ASN B 42 -14.127 -9.377 -1.552 1.00 0.00 N ATOM 624 CA ASN B 42 -15.045 -8.258 -1.430 1.00 0.00 C ATOM 625 C ASN B 42 -16.171 -8.587 -0.474 1.00 0.00 C ATOM 626 O ASN B 42 -16.976 -7.729 -0.117 1.00 0.00 O ATOM 627 CB ASN B 42 -15.618 -7.877 -2.801 1.00 0.00 C ATOM 628 CG ASN B 42 -14.551 -7.445 -3.790 1.00 0.00 C ATOM 629 OD1 ASN B 42 -14.181 -6.276 -3.845 1.00 0.00 O ATOM 630 ND2 ASN B 42 -14.063 -8.382 -4.592 1.00 0.00 N ATOM 0 H ASN B 42 -14.371 -10.035 -2.292 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.488 -7.409 -1.033 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -16.162 -8.728 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.338 -7.069 -2.676 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.354 -8.142 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.396 -9.343 -4.515 1.00 0.00 H new ATOM 637 N ALA B 43 -16.193 -9.834 -0.040 1.00 0.00 N ATOM 638 CA ALA B 43 -17.232 -10.322 0.857 1.00 0.00 C ATOM 639 C ALA B 43 -17.134 -9.663 2.222 1.00 0.00 C ATOM 640 O ALA B 43 -18.096 -9.635 2.987 1.00 0.00 O ATOM 641 CB ALA B 43 -17.133 -11.830 0.998 1.00 0.00 C ATOM 0 H ALA B 43 -15.498 -10.535 -0.295 1.00 0.00 H new ATOM 0 HA ALA B 43 -18.199 -10.064 0.426 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -17.914 -12.185 1.671 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -17.257 -12.296 0.020 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -16.157 -12.094 1.405 1.00 0.00 H new ATOM 647 N GLY B 44 -15.965 -9.132 2.515 1.00 0.00 N ATOM 648 CA GLY B 44 -15.739 -8.505 3.795 1.00 0.00 C ATOM 649 C GLY B 44 -15.688 -7.000 3.699 1.00 0.00 C ATOM 650 O GLY B 44 -15.573 -6.326 4.725 1.00 0.00 O ATOM 0 H GLY B 44 -15.162 -9.123 1.886 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -16.532 -8.795 4.484 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -14.802 -8.871 4.215 1.00 0.00 H new ATOM 654 N TYR B 45 -15.768 -6.489 2.461 1.00 0.00 N ATOM 655 CA TYR B 45 -15.753 -5.057 2.174 1.00 0.00 C ATOM 656 C TYR B 45 -14.349 -4.465 2.231 1.00 0.00 C ATOM 657 O TYR B 45 -13.349 -5.180 2.261 1.00 0.00 O ATOM 658 CB TYR B 45 -16.596 -4.323 3.190 1.00 0.00 C ATOM 659 CG TYR B 45 -17.663 -3.421 2.608 1.00 0.00 C ATOM 660 CD1 TYR B 45 -17.518 -2.847 1.350 1.00 0.00 C ATOM 661 CD2 TYR B 45 -18.820 -3.144 3.323 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.495 -2.025 0.825 1.00 0.00 C ATOM 663 CE2 TYR B 45 -19.800 -2.321 2.803 1.00 0.00 C ATOM 664 CZ TYR B 45 -19.633 -1.764 1.554 1.00 0.00 C ATOM 665 OH TYR B 45 -20.612 -0.945 1.033 1.00 0.00 O ATOM 0 H TYR B 45 -15.846 -7.069 1.626 1.00 0.00 H new ATOM 0 HA TYR B 45 -16.146 -4.939 1.164 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -17.076 -5.056 3.838 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -15.939 -3.723 3.819 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -16.627 -3.047 0.774 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -18.956 -3.579 4.302 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.367 -1.588 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -20.694 -2.115 3.373 1.00 0.00 H new ATOM 0 HH TYR B 45 -21.348 -0.866 1.675 1.00 0.00 H new ATOM 675 N GLY B 46 -14.307 -3.138 2.209 1.00 0.00 N ATOM 676 CA GLY B 46 -13.113 -2.398 2.522 1.00 0.00 C ATOM 677 C GLY B 46 -13.481 -1.136 3.268 1.00 0.00 C ATOM 678 O GLY B 46 -13.002 -0.053 2.936 1.00 0.00 O ATOM 0 H GLY B 46 -15.108 -2.553 1.972 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -12.443 -3.008 3.127 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -12.577 -2.148 1.606 1.00 0.00 H new ATOM 682 N ILE B 47 -14.361 -1.296 4.271 1.00 0.00 N ATOM 683 CA ILE B 47 -14.922 -0.174 5.038 1.00 0.00 C ATOM 684 C ILE B 47 -13.833 0.813 5.412 1.00 0.00 C ATOM 685 O ILE B 47 -13.783 1.929 4.895 1.00 0.00 O ATOM 686 CB ILE B 47 -15.615 -0.628 6.348 1.00 0.00 C ATOM 687 CG1 ILE B 47 -16.029 -2.103 6.298 1.00 0.00 C ATOM 688 CG2 ILE B 47 -16.829 0.246 6.627 1.00 0.00 C ATOM 689 CD1 ILE B 47 -14.946 -3.060 6.762 1.00 0.00 C ATOM 0 H ILE B 47 -14.703 -2.209 4.572 1.00 0.00 H new ATOM 0 HA ILE B 47 -15.666 0.288 4.388 1.00 0.00 H new ATOM 0 HB ILE B 47 -14.892 -0.517 7.156 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -16.915 -2.243 6.918 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -16.312 -2.357 5.276 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -17.309 -0.081 7.549 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -16.514 1.284 6.730 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -17.535 0.162 5.801 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.314 -4.084 6.698 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -14.067 -2.950 6.127 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.679 -2.834 7.794 1.00 0.00 H new ATOM 701 N SER B 48 -12.965 0.368 6.308 1.00 0.00 N ATOM 702 CA SER B 48 -11.760 1.088 6.673 1.00 0.00 C ATOM 703 C SER B 48 -12.054 2.463 7.271 1.00 0.00 C ATOM 704 O SER B 48 -12.200 2.608 8.484 1.00 0.00 O ATOM 705 CB SER B 48 -10.868 1.223 5.445 1.00 0.00 C ATOM 706 OG SER B 48 -10.720 -0.019 4.779 1.00 0.00 O ATOM 0 H SER B 48 -13.081 -0.514 6.807 1.00 0.00 H new ATOM 0 HA SER B 48 -11.251 0.515 7.448 1.00 0.00 H new ATOM 0 HB2 SER B 48 -11.295 1.956 4.761 1.00 0.00 H new ATOM 0 HB3 SER B 48 -9.889 1.598 5.743 1.00 0.00 H new ATOM 0 HG SER B 48 -11.345 -0.063 4.026 1.00 0.00 H new ATOM 712 N TYR B 49 -12.152 3.458 6.404 1.00 0.00 N ATOM 713 CA TYR B 49 -12.294 4.841 6.813 1.00 0.00 C ATOM 714 C TYR B 49 -13.276 5.528 5.886 1.00 0.00 C ATOM 715 O TYR B 49 -12.894 6.386 5.093 1.00 0.00 O ATOM 716 CB TYR B 49 -10.936 5.551 6.776 1.00 0.00 C ATOM 717 CG TYR B 49 -9.868 4.851 7.586 1.00 0.00 C ATOM 718 CD1 TYR B 49 -9.096 3.843 7.021 1.00 0.00 C ATOM 719 CD2 TYR B 49 -9.646 5.182 8.915 1.00 0.00 C ATOM 720 CE1 TYR B 49 -8.134 3.185 7.757 1.00 0.00 C ATOM 721 CE2 TYR B 49 -8.685 4.527 9.658 1.00 0.00 C ATOM 722 CZ TYR B 49 -7.934 3.529 9.075 1.00 0.00 C ATOM 723 OH TYR B 49 -6.981 2.872 9.812 1.00 0.00 O ATOM 0 H TYR B 49 -12.135 3.326 5.393 1.00 0.00 H new ATOM 0 HA TYR B 49 -12.668 4.883 7.836 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -10.603 5.629 5.741 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.056 6.568 7.149 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -9.252 3.571 5.988 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -10.233 5.963 9.374 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -7.541 2.405 7.303 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -8.522 4.795 10.691 1.00 0.00 H new ATOM 0 HH TYR B 49 -6.131 2.874 9.324 1.00 0.00 H new ATOM 733 N GLU B 50 -14.540 5.137 6.006 1.00 0.00 N ATOM 734 CA GLU B 50 -15.609 5.627 5.156 1.00 0.00 C ATOM 735 C GLU B 50 -15.255 5.482 3.677 1.00 0.00 C ATOM 736 O GLU B 50 -15.451 4.422 3.078 1.00 0.00 O ATOM 737 CB GLU B 50 -15.868 7.075 5.516 1.00 0.00 C ATOM 738 CG GLU B 50 -16.187 7.271 6.980 1.00 0.00 C ATOM 739 CD GLU B 50 -16.169 8.725 7.386 1.00 0.00 C ATOM 740 OE1 GLU B 50 -15.064 9.280 7.573 1.00 0.00 O ATOM 741 OE2 GLU B 50 -17.259 9.317 7.526 1.00 0.00 O1- ATOM 0 H GLU B 50 -14.850 4.463 6.706 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.510 5.036 5.319 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -14.992 7.670 5.258 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -16.697 7.450 4.916 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -17.169 6.849 7.194 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -15.465 6.720 7.583 1.00 0.00 H new ATOM 748 N ASP B 51 -14.723 6.552 3.111 1.00 0.00 N ATOM 749 CA ASP B 51 -14.165 6.535 1.769 1.00 0.00 C ATOM 750 C ASP B 51 -13.155 7.661 1.641 1.00 0.00 C ATOM 751 O ASP B 51 -13.520 8.835 1.638 1.00 0.00 O ATOM 752 CB ASP B 51 -15.256 6.691 0.713 1.00 0.00 C ATOM 753 CG ASP B 51 -14.685 6.772 -0.687 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.145 5.759 -1.171 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -14.760 7.856 -1.302 1.00 0.00 O ATOM 0 H ASP B 51 -14.666 7.461 3.571 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.678 5.574 1.604 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.944 5.848 0.775 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.835 7.591 0.921 1.00 0.00 H new ATOM 760 N LYS B 52 -11.885 7.299 1.556 1.00 0.00 N ATOM 761 CA LYS B 52 -10.805 8.279 1.529 1.00 0.00 C ATOM 762 C LYS B 52 -9.722 7.835 0.560 1.00 0.00 C ATOM 763 O LYS B 52 -9.446 6.643 0.449 1.00 0.00 O ATOM 764 CB LYS B 52 -10.216 8.439 2.929 1.00 0.00 C ATOM 765 CG LYS B 52 -11.257 8.771 3.989 1.00 0.00 C ATOM 766 CD LYS B 52 -10.657 8.881 5.380 1.00 0.00 C ATOM 767 CE LYS B 52 -11.743 8.942 6.451 1.00 0.00 C ATOM 768 NZ LYS B 52 -12.717 10.045 6.210 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.573 6.329 1.504 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.204 9.237 1.197 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.706 7.517 3.208 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.463 9.227 2.910 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.745 9.711 3.732 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.028 8.001 3.990 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.007 8.026 5.566 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -10.034 9.773 5.440 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.275 7.991 6.480 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.279 9.078 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -13.463 10.014 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -12.225 10.960 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -13.144 9.932 5.268 1.00 0.00 H new ATOM 782 N ASN B 53 -9.129 8.786 -0.147 1.00 0.00 N ATOM 783 CA ASN B 53 -8.123 8.475 -1.154 1.00 0.00 C ATOM 784 C ASN B 53 -6.754 9.008 -0.769 1.00 0.00 C ATOM 785 O ASN B 53 -6.580 10.201 -0.513 1.00 0.00 O ATOM 786 CB ASN B 53 -8.529 9.029 -2.527 1.00 0.00 C ATOM 787 CG ASN B 53 -9.204 10.388 -2.454 1.00 0.00 C ATOM 788 OD1 ASN B 53 -8.433 11.452 -2.591 1.00 0.00 O flip ATOM 789 ND2 ASN B 53 -10.420 10.478 -2.290 1.00 0.00 N flip ATOM 0 H ASN B 53 -9.327 9.781 -0.042 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.060 7.388 -1.213 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.642 9.105 -3.156 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.203 8.322 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -10.985 9.635 -2.188 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.864 11.396 -2.256 1.00 0.00 H new ATOM 796 N TRP B 54 -5.782 8.117 -0.731 1.00 0.00 N ATOM 797 CA TRP B 54 -4.411 8.501 -0.485 1.00 0.00 C ATOM 798 C TRP B 54 -3.489 7.807 -1.483 1.00 0.00 C ATOM 799 O TRP B 54 -3.931 6.951 -2.256 1.00 0.00 O ATOM 800 CB TRP B 54 -4.013 8.200 0.963 1.00 0.00 C ATOM 801 CG TRP B 54 -4.096 6.762 1.362 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.227 6.019 1.558 1.00 0.00 C ATOM 803 CD2 TRP B 54 -2.993 5.903 1.653 1.00 0.00 C ATOM 804 NE1 TRP B 54 -4.892 4.745 1.945 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.523 4.648 2.008 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.603 6.072 1.637 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.711 3.573 2.354 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.804 5.000 1.980 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.359 3.766 2.333 1.00 0.00 C ATOM 0 H TRP B 54 -5.921 7.116 -0.869 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.312 9.577 -0.627 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -2.991 8.546 1.121 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.653 8.782 1.627 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.236 6.381 1.428 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.551 3.994 2.152 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.166 7.020 1.362 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.135 2.619 2.630 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.270 5.116 1.976 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.704 2.948 2.595 1.00 0.00 H new ATOM 820 N GLY B 55 -2.224 8.192 -1.490 1.00 0.00 N ATOM 821 CA GLY B 55 -1.300 7.663 -2.468 1.00 0.00 C ATOM 822 C GLY B 55 -0.020 7.160 -1.844 1.00 0.00 C ATOM 823 O GLY B 55 0.472 7.737 -0.876 1.00 0.00 O ATOM 0 H GLY B 55 -1.820 8.862 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.779 6.849 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.064 8.439 -3.197 1.00 0.00 H new ATOM 827 N ILE B 56 0.505 6.073 -2.387 1.00 0.00 N ATOM 828 CA ILE B 56 1.802 5.564 -1.977 1.00 0.00 C ATOM 829 C ILE B 56 2.823 5.807 -3.079 1.00 0.00 C ATOM 830 O ILE B 56 2.488 5.738 -4.265 1.00 0.00 O ATOM 831 CB ILE B 56 1.722 4.065 -1.672 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.540 3.795 -0.747 1.00 0.00 C ATOM 833 CG2 ILE B 56 3.017 3.584 -1.030 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.122 2.352 -0.704 1.00 0.00 C ATOM 0 H ILE B 56 0.049 5.525 -3.116 1.00 0.00 H new ATOM 0 HA ILE B 56 2.109 6.089 -1.072 1.00 0.00 H new ATOM 0 HB ILE B 56 1.579 3.519 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.798 4.119 0.261 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.308 4.400 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.944 2.517 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.849 3.764 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.185 4.127 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.724 2.238 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.168 2.027 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.954 1.742 -0.352 1.00 0.00 H new ATOM 846 N PHE B 57 4.051 6.122 -2.688 1.00 0.00 N ATOM 847 CA PHE B 57 5.083 6.494 -3.649 1.00 0.00 C ATOM 848 C PHE B 57 6.339 5.628 -3.494 1.00 0.00 C ATOM 849 O PHE B 57 6.704 5.266 -2.378 1.00 0.00 O ATOM 850 CB PHE B 57 5.395 7.979 -3.453 1.00 0.00 C ATOM 851 CG PHE B 57 4.135 8.795 -3.495 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.397 9.030 -2.348 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.648 9.257 -4.698 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.196 9.703 -2.408 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.457 9.945 -4.763 1.00 0.00 C ATOM 856 CZ PHE B 57 1.726 10.163 -3.618 1.00 0.00 C ATOM 0 H PHE B 57 4.357 6.128 -1.715 1.00 0.00 H new ATOM 0 HA PHE B 57 4.723 6.322 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.899 8.127 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE B 57 6.080 8.318 -4.230 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.767 8.682 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE B 57 4.209 9.077 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.624 9.870 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE B 57 2.097 10.313 -5.712 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.786 10.693 -3.668 1.00 0.00 H new ATOM 866 N VAL B 58 6.990 5.286 -4.620 1.00 0.00 N ATOM 867 CA VAL B 58 8.234 4.543 -4.580 1.00 0.00 C ATOM 868 C VAL B 58 9.269 5.263 -5.425 1.00 0.00 C ATOM 869 O VAL B 58 8.939 5.837 -6.460 1.00 0.00 O ATOM 870 CB VAL B 58 8.076 3.094 -5.075 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.775 3.049 -6.560 1.00 0.00 C ATOM 872 CG2 VAL B 58 9.323 2.290 -4.763 1.00 0.00 C ATOM 0 H VAL B 58 6.666 5.517 -5.559 1.00 0.00 H new ATOM 0 HA VAL B 58 8.554 4.491 -3.539 1.00 0.00 H new ATOM 0 HB VAL B 58 7.231 2.650 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.669 2.012 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.848 3.586 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.591 3.516 -7.111 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.195 1.268 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL B 58 10.181 2.743 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.490 2.281 -3.686 1.00 0.00 H new ATOM 882 N ASN B 59 10.517 5.240 -4.973 1.00 0.00 N ATOM 883 CA ASN B 59 11.590 6.040 -5.567 1.00 0.00 C ATOM 884 C ASN B 59 11.218 7.513 -5.491 1.00 0.00 C ATOM 885 O ASN B 59 11.810 8.353 -6.165 1.00 0.00 O ATOM 886 CB ASN B 59 11.845 5.674 -7.034 1.00 0.00 C ATOM 887 CG ASN B 59 11.716 4.197 -7.330 1.00 0.00 C ATOM 888 OD1 ASN B 59 10.565 3.822 -7.854 1.00 0.00 O flip ATOM 889 ND2 ASN B 59 12.639 3.415 -7.115 1.00 0.00 N flip ATOM 0 H ASN B 59 10.817 4.667 -4.184 1.00 0.00 H new ATOM 0 HA ASN B 59 12.501 5.834 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.143 6.223 -7.662 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.846 6.004 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN B 59 13.510 3.754 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN B 59 12.534 2.427 -7.344 1.00 0.00 H new ATOM 896 N GLY B 60 10.211 7.811 -4.678 1.00 0.00 N ATOM 897 CA GLY B 60 9.720 9.159 -4.577 1.00 0.00 C ATOM 898 C GLY B 60 8.618 9.458 -5.584 1.00 0.00 C ATOM 899 O GLY B 60 8.065 10.558 -5.617 1.00 0.00 O ATOM 0 H GLY B 60 9.728 7.134 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.342 9.329 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.545 9.855 -4.730 1.00 0.00 H new ATOM 903 N GLU B 61 8.311 8.466 -6.400 1.00 0.00 N ATOM 904 CA GLU B 61 7.290 8.552 -7.434 1.00 0.00 C ATOM 905 C GLU B 61 6.077 7.792 -6.995 1.00 0.00 C ATOM 906 O GLU B 61 6.178 6.952 -6.156 1.00 0.00 O ATOM 907 CB GLU B 61 7.826 7.928 -8.708 1.00 0.00 C ATOM 908 CG GLU B 61 8.547 8.909 -9.613 1.00 0.00 C ATOM 909 CD GLU B 61 9.284 8.232 -10.747 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.654 7.946 -11.787 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 10.502 7.992 -10.606 1.00 0.00 O ATOM 0 H GLU B 61 8.773 7.558 -6.363 1.00 0.00 H new ATOM 0 HA GLU B 61 7.029 9.596 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.509 7.120 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.999 7.481 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.825 9.613 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.255 9.489 -9.021 1.00 0.00 H new ATOM 918 N LYS B 62 4.941 8.062 -7.568 1.00 0.00 N ATOM 919 CA LYS B 62 3.729 7.352 -7.193 1.00 0.00 C ATOM 920 C LYS B 62 3.865 5.849 -7.486 1.00 0.00 C ATOM 921 O LYS B 62 4.850 5.418 -8.087 1.00 0.00 O ATOM 922 CB LYS B 62 2.575 7.998 -7.947 1.00 0.00 C ATOM 923 CG LYS B 62 1.189 7.650 -7.430 1.00 0.00 C ATOM 924 CD LYS B 62 0.265 8.850 -7.563 1.00 0.00 C ATOM 925 CE LYS B 62 -0.340 9.255 -6.233 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.540 8.452 -5.890 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.817 8.765 -8.296 1.00 0.00 H new ATOM 0 HA LYS B 62 3.543 7.426 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.698 9.080 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.638 7.706 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.785 6.806 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.249 7.341 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.821 9.690 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.533 8.616 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.407 9.141 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.610 10.311 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -2.123 8.974 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -2.095 8.271 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.244 7.547 -5.473 1.00 0.00 H new ATOM 940 N VAL B 63 2.977 5.050 -6.899 1.00 0.00 N ATOM 941 CA VAL B 63 2.765 3.659 -7.318 1.00 0.00 C ATOM 942 C VAL B 63 1.389 3.174 -6.924 1.00 0.00 C ATOM 943 O VAL B 63 1.039 2.025 -7.175 1.00 0.00 O ATOM 944 CB VAL B 63 3.784 2.656 -6.743 1.00 0.00 C ATOM 945 CG1 VAL B 63 4.857 2.344 -7.770 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.385 3.165 -5.442 1.00 0.00 C ATOM 0 H VAL B 63 2.384 5.343 -6.122 1.00 0.00 H new ATOM 0 HA VAL B 63 2.889 3.688 -8.401 1.00 0.00 H new ATOM 0 HB VAL B 63 3.260 1.729 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL B 63 5.569 1.634 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL B 63 4.396 1.911 -8.658 1.00 0.00 H new ATOM 0 HG13 VAL B 63 5.378 3.262 -8.042 1.00 0.00 H new ATOM 0 HG21 VAL B 63 5.100 2.435 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL B 63 4.894 4.112 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL B 63 3.592 3.313 -4.709 1.00 0.00 H new ATOM 956 N TYR B 64 0.605 4.036 -6.304 1.00 0.00 N ATOM 957 CA TYR B 64 -0.678 3.609 -5.779 1.00 0.00 C ATOM 958 C TYR B 64 -1.624 4.792 -5.613 1.00 0.00 C ATOM 959 O TYR B 64 -1.254 5.838 -5.071 1.00 0.00 O ATOM 960 CB TYR B 64 -0.451 2.930 -4.433 1.00 0.00 C ATOM 961 CG TYR B 64 -1.213 1.641 -4.205 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.479 1.439 -4.731 1.00 0.00 C ATOM 963 CD2 TYR B 64 -0.668 0.638 -3.413 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.181 0.276 -4.470 1.00 0.00 C ATOM 965 CE2 TYR B 64 -1.357 -0.529 -3.157 1.00 0.00 C ATOM 966 CZ TYR B 64 -2.615 -0.703 -3.683 1.00 0.00 C ATOM 967 OH TYR B 64 -3.313 -1.857 -3.416 1.00 0.00 O ATOM 0 H TYR B 64 0.828 5.020 -6.153 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.137 2.913 -6.480 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.614 2.723 -4.327 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.719 3.632 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.924 2.201 -5.354 1.00 0.00 H new ATOM 0 HD2 TYR B 64 0.316 0.775 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.170 0.136 -4.882 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -0.911 -1.301 -2.547 1.00 0.00 H new ATOM 0 HH TYR B 64 -2.771 -2.443 -2.848 1.00 0.00 H new ATOM 977 N THR B 65 -2.834 4.606 -6.106 1.00 0.00 N ATOM 978 CA THR B 65 -3.894 5.608 -6.040 1.00 0.00 C ATOM 979 C THR B 65 -5.229 4.911 -5.803 1.00 0.00 C ATOM 980 O THR B 65 -5.648 4.094 -6.627 1.00 0.00 O ATOM 981 CB THR B 65 -3.981 6.410 -7.357 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.695 6.941 -7.697 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.985 7.547 -7.239 1.00 0.00 C ATOM 0 H THR B 65 -3.117 3.744 -6.571 1.00 0.00 H new ATOM 0 HA THR B 65 -3.668 6.294 -5.224 1.00 0.00 H new ATOM 0 HB THR B 65 -4.314 5.731 -8.142 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.761 7.446 -8.534 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.026 8.095 -8.180 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.971 7.140 -7.013 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.679 8.221 -6.439 1.00 0.00 H new ATOM 991 N PHE B 66 -5.902 5.211 -4.692 1.00 0.00 N ATOM 992 CA PHE B 66 -7.092 4.474 -4.336 1.00 0.00 C ATOM 993 C PHE B 66 -7.828 5.087 -3.170 1.00 0.00 C ATOM 994 O PHE B 66 -7.270 5.830 -2.363 1.00 0.00 O ATOM 995 CB PHE B 66 -6.735 3.035 -3.984 1.00 0.00 C ATOM 996 CG PHE B 66 -5.744 2.879 -2.873 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.396 3.084 -3.078 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.176 2.496 -1.626 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.489 2.906 -2.057 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.279 2.313 -0.592 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.929 2.514 -0.809 1.00 0.00 C ATOM 0 H PHE B 66 -5.641 5.949 -4.039 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.748 4.506 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.649 2.507 -3.711 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.338 2.547 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.046 3.389 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.230 2.336 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.436 3.073 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.632 2.014 0.384 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.222 2.365 -0.006 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.097 4.768 -3.139 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.951 5.005 -1.994 1.00 0.00 C ATOM 1013 C ASN B 67 -10.121 3.707 -1.219 1.00 0.00 C ATOM 1014 O ASN B 67 -10.067 2.630 -1.815 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.320 5.518 -2.443 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.327 7.003 -2.731 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -11.689 7.789 -1.731 1.00 0.00 O flip ATOM 1018 ND2 ASN B 67 -11.033 7.439 -3.845 1.00 0.00 N flip ATOM 0 H ASN B 67 -9.579 4.327 -3.923 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.489 5.760 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.629 4.978 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.056 5.300 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -10.759 6.796 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.063 8.443 -4.024 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.330 3.792 0.089 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.485 2.587 0.907 1.00 0.00 C ATOM 1027 C GLU B 68 -11.664 1.736 0.412 1.00 0.00 C ATOM 1028 O GLU B 68 -11.578 0.506 0.339 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.688 2.967 2.375 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.510 3.708 3.006 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.277 2.837 3.203 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.296 1.955 4.097 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -7.279 3.043 2.482 1.00 0.00 O ATOM 0 H GLU B 68 -10.396 4.669 0.605 1.00 0.00 H new ATOM 0 HA GLU B 68 -9.575 1.994 0.817 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.579 3.590 2.456 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -10.880 2.060 2.949 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.247 4.558 2.377 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -9.819 4.109 3.971 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.749 2.415 0.039 1.00 0.00 N ATOM 1041 CA LYS B 69 -13.972 1.776 -0.451 1.00 0.00 C ATOM 1042 C LYS B 69 -13.736 1.048 -1.780 1.00 0.00 C ATOM 1043 O LYS B 69 -14.518 0.183 -2.177 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.051 2.852 -0.612 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.439 2.329 -0.936 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.453 3.465 -0.955 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.859 2.972 -1.261 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.331 1.977 -0.264 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.805 3.433 0.068 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.294 1.025 0.270 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.104 3.432 0.309 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -14.744 3.537 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.427 1.829 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -16.734 1.584 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.449 3.970 0.011 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.157 4.202 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.544 3.820 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -18.878 2.526 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.355 1.833 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -18.836 1.075 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.133 2.326 0.695 1.00 0.00 H new ATOM 1062 N SER B 70 -12.643 1.390 -2.448 1.00 0.00 N ATOM 1063 CA SER B 70 -12.275 0.762 -3.711 1.00 0.00 C ATOM 1064 C SER B 70 -11.636 -0.605 -3.466 1.00 0.00 C ATOM 1065 O SER B 70 -11.257 -1.305 -4.406 1.00 0.00 O ATOM 1066 CB SER B 70 -11.321 1.687 -4.472 1.00 0.00 C ATOM 1067 OG SER B 70 -10.574 1.005 -5.468 1.00 0.00 O ATOM 0 H SER B 70 -11.989 2.106 -2.133 1.00 0.00 H new ATOM 0 HA SER B 70 -13.170 0.602 -4.312 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.894 2.488 -4.939 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.635 2.155 -3.766 1.00 0.00 H new ATOM 0 HG SER B 70 -10.872 0.073 -5.519 1.00 0.00 H new ATOM 1073 N THR B 71 -11.525 -0.954 -2.183 1.00 0.00 N ATOM 1074 CA THR B 71 -11.011 -2.232 -1.713 1.00 0.00 C ATOM 1075 C THR B 71 -9.603 -2.512 -2.235 1.00 0.00 C ATOM 1076 O THR B 71 -9.416 -3.007 -3.347 1.00 0.00 O ATOM 1077 CB THR B 71 -11.967 -3.398 -2.036 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.335 -3.412 -3.420 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.219 -3.320 -1.176 1.00 0.00 C ATOM 0 H THR B 71 -11.800 -0.332 -1.423 1.00 0.00 H new ATOM 0 HA THR B 71 -10.947 -2.156 -0.628 1.00 0.00 H new ATOM 0 HB THR B 71 -11.434 -4.322 -1.814 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.677 -2.904 -3.939 1.00 0.00 H new ATOM 0 HG21 THR B 71 -13.880 -4.152 -1.420 1.00 0.00 H new ATOM 0 HG22 THR B 71 -12.941 -3.374 -0.123 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.734 -2.379 -1.368 1.00 0.00 H new ATOM 1087 N VAL B 72 -8.617 -2.215 -1.391 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.207 -2.230 -1.784 1.00 0.00 C ATOM 1089 C VAL B 72 -6.758 -3.589 -2.319 1.00 0.00 C ATOM 1090 O VAL B 72 -5.780 -3.668 -3.050 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.285 -1.826 -0.611 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.866 -0.646 0.149 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.034 -3.004 0.319 1.00 0.00 C ATOM 0 H VAL B 72 -8.771 -1.957 -0.416 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.121 -1.498 -2.587 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.325 -1.521 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.201 -0.379 0.970 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.971 0.205 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.844 -0.916 0.548 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -5.382 -2.691 1.135 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -6.982 -3.355 0.726 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -5.557 -3.811 -0.237 1.00 0.00 H new ATOM 1103 N GLY B 73 -7.470 -4.648 -1.957 1.00 0.00 N ATOM 1104 CA GLY B 73 -7.092 -5.977 -2.392 1.00 0.00 C ATOM 1105 C GLY B 73 -7.134 -6.127 -3.899 1.00 0.00 C ATOM 1106 O GLY B 73 -6.184 -6.618 -4.511 1.00 0.00 O ATOM 0 H GLY B 73 -8.303 -4.610 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -6.086 -6.200 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -7.761 -6.708 -1.938 1.00 0.00 H new ATOM 1110 N ASN B 74 -8.230 -5.681 -4.496 1.00 0.00 N ATOM 1111 CA ASN B 74 -8.393 -5.749 -5.944 1.00 0.00 C ATOM 1112 C ASN B 74 -7.395 -4.823 -6.619 1.00 0.00 C ATOM 1113 O ASN B 74 -6.826 -5.143 -7.664 1.00 0.00 O ATOM 1114 CB ASN B 74 -9.813 -5.347 -6.342 1.00 0.00 C ATOM 1115 CG ASN B 74 -10.876 -6.208 -5.720 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -10.698 -7.406 -5.501 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -11.996 -5.585 -5.425 1.00 0.00 N ATOM 0 H ASN B 74 -9.021 -5.268 -4.001 1.00 0.00 H new ATOM 0 HA ASN B 74 -8.214 -6.775 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -9.983 -4.309 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -9.905 -5.396 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -12.766 -6.097 -4.995 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.094 -4.590 -5.627 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.177 -3.678 -5.990 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.260 -2.673 -6.510 1.00 0.00 C ATOM 1126 C ILE B 75 -4.835 -3.193 -6.465 1.00 0.00 C ATOM 1127 O ILE B 75 -4.053 -2.987 -7.388 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.302 -1.375 -5.692 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -7.704 -1.095 -5.156 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.819 -0.217 -6.548 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -7.750 0.099 -4.256 1.00 0.00 C ATOM 0 H ILE B 75 -7.626 -3.420 -5.112 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.574 -2.465 -7.533 1.00 0.00 H new ATOM 0 HB ILE B 75 -5.642 -1.490 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.384 -0.940 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.062 -1.969 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -5.850 0.704 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -4.796 -0.407 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.464 -0.116 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -8.771 0.251 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.093 -0.064 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.420 0.981 -4.805 1.00 0.00 H new ATOM 1143 N SER B 76 -4.511 -3.842 -5.357 1.00 0.00 N ATOM 1144 CA SER B 76 -3.199 -4.455 -5.151 1.00 0.00 C ATOM 1145 C SER B 76 -2.833 -5.343 -6.332 1.00 0.00 C ATOM 1146 O SER B 76 -1.690 -5.348 -6.785 1.00 0.00 O ATOM 1147 CB SER B 76 -3.191 -5.271 -3.851 1.00 0.00 C ATOM 1148 OG SER B 76 -1.901 -5.789 -3.568 1.00 0.00 O ATOM 0 H SER B 76 -5.149 -3.961 -4.571 1.00 0.00 H new ATOM 0 HA SER B 76 -2.456 -3.661 -5.072 1.00 0.00 H new ATOM 0 HB2 SER B 76 -3.521 -4.642 -3.024 1.00 0.00 H new ATOM 0 HB3 SER B 76 -3.904 -6.092 -3.931 1.00 0.00 H new ATOM 0 HG SER B 76 -1.930 -6.302 -2.733 1.00 0.00 H new ATOM 1154 N ASN B 77 -3.820 -6.070 -6.842 1.00 0.00 N ATOM 1155 CA ASN B 77 -3.633 -6.909 -8.011 1.00 0.00 C ATOM 1156 C ASN B 77 -3.122 -6.088 -9.195 1.00 0.00 C ATOM 1157 O ASN B 77 -2.234 -6.522 -9.929 1.00 0.00 O ATOM 1158 CB ASN B 77 -4.949 -7.592 -8.370 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.082 -8.992 -7.788 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.732 -9.859 -8.374 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -4.474 -9.225 -6.633 1.00 0.00 N ATOM 0 H ASN B 77 -4.764 -6.092 -6.458 1.00 0.00 H new ATOM 0 HA ASN B 77 -2.886 -7.668 -7.779 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -5.777 -6.979 -8.014 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -5.037 -7.648 -9.455 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -4.536 -10.147 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -3.944 -8.482 -6.177 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.666 -4.887 -9.357 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.255 -3.994 -10.438 1.00 0.00 C ATOM 1170 C ASP B 78 -1.905 -3.357 -10.140 1.00 0.00 C ATOM 1171 O ASP B 78 -1.068 -3.222 -11.023 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.299 -2.896 -10.669 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.538 -3.404 -11.376 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.434 -3.794 -12.560 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.625 -3.404 -10.758 1.00 0.00 O1- ATOM 0 H ASP B 78 -4.395 -4.507 -8.753 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.168 -4.597 -11.342 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.585 -2.465 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.853 -2.095 -11.258 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.696 -2.964 -8.896 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.435 -2.360 -8.489 1.00 0.00 C ATOM 1182 C ILE B 79 0.723 -3.340 -8.644 1.00 0.00 C ATOM 1183 O ILE B 79 1.845 -2.957 -8.964 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.532 -1.865 -7.053 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.691 -0.887 -6.981 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.766 -1.205 -6.601 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.590 0.286 -7.937 1.00 0.00 C ATOM 0 H ILE B 79 -2.383 -3.052 -8.147 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.237 -1.510 -9.142 1.00 0.00 H new ATOM 0 HB ILE B 79 -0.702 -2.707 -6.382 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.616 -1.426 -7.185 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.763 -0.504 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.661 -0.863 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.581 -1.926 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.985 -0.353 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.460 0.931 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.685 0.854 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.552 -0.082 -8.962 1.00 0.00 H new ATOM 1199 N ASN B 80 0.427 -4.618 -8.452 1.00 0.00 N ATOM 1200 CA ASN B 80 1.435 -5.673 -8.559 1.00 0.00 C ATOM 1201 C ASN B 80 1.951 -5.850 -9.988 1.00 0.00 C ATOM 1202 O ASN B 80 2.941 -6.543 -10.206 1.00 0.00 O ATOM 1203 CB ASN B 80 0.881 -7.006 -8.051 1.00 0.00 C ATOM 1204 CG ASN B 80 1.020 -7.181 -6.546 1.00 0.00 C ATOM 1205 OD1 ASN B 80 1.166 -8.299 -6.054 1.00 0.00 O ATOM 1206 ND2 ASN B 80 0.967 -6.087 -5.803 1.00 0.00 N ATOM 0 H ASN B 80 -0.508 -4.954 -8.220 1.00 0.00 H new ATOM 0 HA ASN B 80 2.274 -5.361 -7.937 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.172 -7.081 -8.323 1.00 0.00 H new ATOM 0 HB3 ASN B 80 1.399 -7.822 -8.554 1.00 0.00 H new ATOM 0 HD21 ASN B 80 1.048 -6.155 -4.789 1.00 0.00 H new ATOM 0 HD22 ASN B 80 0.845 -5.176 -6.245 1.00 0.00 H new ATOM 1213 N LYS B 81 1.296 -5.225 -10.962 1.00 0.00 N ATOM 1214 CA LYS B 81 1.726 -5.358 -12.351 1.00 0.00 C ATOM 1215 C LYS B 81 2.623 -4.187 -12.749 1.00 0.00 C ATOM 1216 O LYS B 81 3.066 -4.092 -13.890 1.00 0.00 O ATOM 1217 CB LYS B 81 0.518 -5.454 -13.297 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.166 -4.130 -13.573 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.365 -4.297 -14.493 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.130 -2.992 -14.662 1.00 0.00 C ATOM 1221 NZ LYS B 81 -1.298 -1.927 -15.283 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.479 -4.631 -10.820 1.00 0.00 H new ATOM 0 HA LYS B 81 2.299 -6.281 -12.439 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.846 -5.884 -14.243 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.210 -6.143 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.489 -3.684 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.546 -3.440 -14.025 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.029 -4.651 -15.468 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.031 -5.060 -14.089 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -3.012 -3.167 -15.279 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.484 -2.652 -13.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -1.891 -1.097 -15.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -0.536 -1.656 -14.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -0.884 -2.282 -16.168 1.00 0.00 H new ATOM 1235 N LEU B 82 2.911 -3.309 -11.793 1.00 0.00 N ATOM 1236 CA LEU B 82 3.699 -2.109 -12.070 1.00 0.00 C ATOM 1237 C LEU B 82 5.187 -2.396 -11.975 1.00 0.00 C ATOM 1238 O LEU B 82 6.010 -1.493 -12.137 1.00 0.00 O ATOM 1239 CB LEU B 82 3.365 -0.988 -11.081 1.00 0.00 C ATOM 1240 CG LEU B 82 1.888 -0.637 -10.947 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.716 0.633 -10.131 1.00 0.00 C ATOM 1242 CD2 LEU B 82 1.232 -0.495 -12.311 1.00 0.00 C ATOM 0 H LEU B 82 2.612 -3.404 -10.822 1.00 0.00 H new ATOM 0 HA LEU B 82 3.447 -1.795 -13.083 1.00 0.00 H new ATOM 0 HB2 LEU B 82 3.742 -1.272 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.906 -0.091 -11.382 1.00 0.00 H new ATOM 0 HG LEU B 82 1.392 -1.454 -10.423 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.655 0.869 -10.045 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.137 0.486 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.232 1.456 -10.625 1.00 0.00 H new ATOM 0 HD21 LEU B 82 0.179 -0.244 -12.184 1.00 0.00 H new ATOM 0 HD22 LEU B 82 1.728 0.297 -12.873 1.00 0.00 H new ATOM 0 HD23 LEU B 82 1.318 -1.435 -12.856 1.00 0.00 H new ATOM 1254 N ASN B 83 5.513 -3.660 -11.722 1.00 0.00 N ATOM 1255 CA ASN B 83 6.870 -4.059 -11.379 1.00 0.00 C ATOM 1256 C ASN B 83 7.354 -3.195 -10.216 1.00 0.00 C ATOM 1257 O ASN B 83 8.303 -2.416 -10.347 1.00 0.00 O ATOM 1258 CB ASN B 83 7.789 -3.929 -12.594 1.00 0.00 C ATOM 1259 CG ASN B 83 9.135 -4.615 -12.414 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.634 -4.772 -11.299 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.736 -5.029 -13.519 1.00 0.00 N ATOM 0 H ASN B 83 4.846 -4.431 -11.749 1.00 0.00 H new ATOM 0 HA ASN B 83 6.886 -5.106 -11.075 1.00 0.00 H new ATOM 0 HB2 ASN B 83 7.288 -4.352 -13.465 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.954 -2.872 -12.803 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.642 -5.495 -13.463 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.293 -4.882 -14.426 1.00 0.00 H new ATOM 1268 N ILE B 84 6.653 -3.323 -9.092 1.00 0.00 N ATOM 1269 CA ILE B 84 6.879 -2.501 -7.910 1.00 0.00 C ATOM 1270 C ILE B 84 8.339 -2.528 -7.459 1.00 0.00 C ATOM 1271 O ILE B 84 9.062 -3.500 -7.686 1.00 0.00 O ATOM 1272 CB ILE B 84 5.980 -2.984 -6.753 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.527 -2.920 -7.181 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.184 -2.147 -5.495 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.608 -3.719 -6.288 1.00 0.00 C ATOM 0 H ILE B 84 5.905 -4.007 -8.977 1.00 0.00 H new ATOM 0 HA ILE B 84 6.629 -1.474 -8.178 1.00 0.00 H new ATOM 0 HB ILE B 84 6.255 -4.012 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.202 -1.879 -7.188 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.440 -3.288 -8.203 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.534 -2.517 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.223 -2.219 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.941 -1.106 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.583 -3.631 -6.649 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.909 -4.767 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.668 -3.337 -5.269 1.00 0.00 H new ATOM 1287 N LYS B 85 8.765 -1.445 -6.836 1.00 0.00 N ATOM 1288 CA LYS B 85 10.102 -1.351 -6.272 1.00 0.00 C ATOM 1289 C LYS B 85 10.031 -0.981 -4.797 1.00 0.00 C ATOM 1290 O LYS B 85 8.951 -0.732 -4.265 1.00 0.00 O ATOM 1291 CB LYS B 85 10.926 -0.303 -7.021 1.00 0.00 C ATOM 1292 CG LYS B 85 10.964 -0.531 -8.518 1.00 0.00 C ATOM 1293 CD LYS B 85 12.008 0.344 -9.205 1.00 0.00 C ATOM 1294 CE LYS B 85 13.412 0.075 -8.679 1.00 0.00 C ATOM 1295 NZ LYS B 85 14.443 0.833 -9.434 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.198 -0.607 -6.706 1.00 0.00 H new ATOM 0 HA LYS B 85 10.583 -2.324 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.512 0.686 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.945 -0.307 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.182 -1.580 -8.719 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.981 -0.322 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.982 0.163 -10.280 1.00 0.00 H new ATOM 0 HD3 LYS B 85 11.758 1.394 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS B 85 13.462 0.346 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.626 -0.992 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 15.384 0.622 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 14.413 0.556 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 14.255 1.852 -9.351 1.00 0.00 H new ATOM 1309 N GLY B 86 11.183 -0.941 -4.149 1.00 0.00 N ATOM 1310 CA GLY B 86 11.256 -0.470 -2.780 1.00 0.00 C ATOM 1311 C GLY B 86 12.483 0.392 -2.569 1.00 0.00 C ATOM 1312 O GLY B 86 13.609 -0.103 -2.656 1.00 0.00 O ATOM 0 H GLY B 86 12.076 -1.228 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.360 0.102 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.283 -1.321 -2.100 1.00 0.00 H new ATOM 1316 N MET B 87 12.279 1.685 -2.320 1.00 0.00 N ATOM 1317 CA MET B 87 13.363 2.604 -2.128 1.00 0.00 C ATOM 1318 C MET B 87 12.915 3.783 -1.255 1.00 0.00 C ATOM 1319 O MET B 87 13.122 3.782 -0.045 1.00 0.00 O ATOM 1320 CB MET B 87 13.820 3.084 -3.493 1.00 0.00 C ATOM 1321 CG MET B 87 14.736 4.263 -3.429 1.00 0.00 C ATOM 1322 SD MET B 87 16.463 3.805 -3.206 1.00 0.00 S ATOM 1323 CE MET B 87 17.236 5.419 -3.129 1.00 0.00 C ATOM 0 H MET B 87 11.354 2.109 -2.249 1.00 0.00 H new ATOM 0 HA MET B 87 14.189 2.113 -1.614 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.326 2.267 -4.007 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.946 3.344 -4.090 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.636 4.843 -4.346 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.429 4.910 -2.607 1.00 0.00 H new ATOM 0 HE1 MET B 87 18.311 5.301 -2.992 1.00 0.00 H new ATOM 0 HE2 MET B 87 17.045 5.959 -4.057 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.823 5.981 -2.291 1.00 0.00 H new ATOM 1333 N TYR B 88 12.269 4.774 -1.872 1.00 0.00 N ATOM 1334 CA TYR B 88 11.777 5.936 -1.156 1.00 0.00 C ATOM 1335 C TYR B 88 10.261 5.860 -1.104 1.00 0.00 C ATOM 1336 O TYR B 88 9.582 6.250 -2.054 1.00 0.00 O ATOM 1337 CB TYR B 88 12.233 7.210 -1.875 1.00 0.00 C ATOM 1338 CG TYR B 88 12.125 8.474 -1.052 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.923 9.158 -0.933 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.239 8.991 -0.404 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.834 10.321 -0.190 1.00 0.00 C ATOM 1342 CE2 TYR B 88 13.159 10.152 0.337 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.956 10.813 0.441 1.00 0.00 C ATOM 1344 OH TYR B 88 11.878 11.973 1.177 1.00 0.00 O ATOM 0 H TYR B 88 12.077 4.788 -2.874 1.00 0.00 H new ATOM 0 HA TYR B 88 12.172 5.957 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.270 7.083 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.640 7.331 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.043 8.776 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.185 8.475 -0.481 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.891 10.840 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR B 88 14.036 10.540 0.833 1.00 0.00 H new ATOM 0 HH TYR B 88 12.758 12.180 1.556 1.00 0.00 H new ATOM 1354 N ILE B 89 9.743 5.314 -0.016 1.00 0.00 N ATOM 1355 CA ILE B 89 8.317 5.061 0.105 1.00 0.00 C ATOM 1356 C ILE B 89 7.634 6.158 0.907 1.00 0.00 C ATOM 1357 O ILE B 89 7.993 6.416 2.056 1.00 0.00 O ATOM 1358 CB ILE B 89 8.047 3.699 0.775 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.857 2.597 0.095 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.559 3.365 0.736 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.552 2.441 -1.370 1.00 0.00 C ATOM 0 H ILE B 89 10.291 5.037 0.798 1.00 0.00 H new ATOM 0 HA ILE B 89 7.907 5.047 -0.905 1.00 0.00 H new ATOM 0 HB ILE B 89 8.358 3.765 1.818 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.919 2.811 0.216 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.663 1.651 0.600 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.390 2.400 1.214 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.999 4.135 1.266 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.223 3.321 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.164 1.641 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.498 2.195 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.773 3.374 -1.889 1.00 0.00 H new ATOM 1373 N GLU B 90 6.649 6.792 0.296 1.00 0.00 N ATOM 1374 CA GLU B 90 5.906 7.860 0.943 1.00 0.00 C ATOM 1375 C GLU B 90 4.442 7.489 1.122 1.00 0.00 C ATOM 1376 O GLU B 90 3.867 6.765 0.307 1.00 0.00 O ATOM 1377 CB GLU B 90 6.002 9.145 0.131 1.00 0.00 C ATOM 1378 CG GLU B 90 7.329 9.871 0.277 1.00 0.00 C ATOM 1379 CD GLU B 90 7.587 10.315 1.702 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.856 11.205 2.194 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 8.508 9.775 2.344 1.00 0.00 O ATOM 0 H GLU B 90 6.343 6.584 -0.655 1.00 0.00 H new ATOM 0 HA GLU B 90 6.350 8.015 1.927 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.842 8.910 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.198 9.815 0.434 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.137 9.216 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.339 10.741 -0.380 1.00 0.00 H new ATOM 1388 N ILE B 91 3.855 8.002 2.192 1.00 0.00 N ATOM 1389 CA ILE B 91 2.443 7.808 2.481 1.00 0.00 C ATOM 1390 C ILE B 91 1.782 9.159 2.731 1.00 0.00 C ATOM 1391 O ILE B 91 2.267 9.937 3.557 1.00 0.00 O ATOM 1392 CB ILE B 91 2.246 6.933 3.736 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.760 5.515 3.493 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.786 6.913 4.168 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.668 4.629 4.713 1.00 0.00 C ATOM 0 H ILE B 91 4.346 8.566 2.886 1.00 0.00 H new ATOM 0 HA ILE B 91 1.992 7.310 1.623 1.00 0.00 H new ATOM 0 HB ILE B 91 2.828 7.373 4.546 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.190 5.064 2.681 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.798 5.564 3.165 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.677 6.289 5.055 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.460 7.928 4.397 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.174 6.508 3.362 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.049 3.637 4.472 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.261 5.059 5.520 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.628 4.551 5.029 1.00 0.00 H new ATOM 1407 N LYS B 92 0.687 9.439 2.029 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.014 10.713 2.181 1.00 0.00 C ATOM 1409 C LYS B 92 -1.307 10.739 1.372 1.00 0.00 C ATOM 1410 O LYS B 92 -1.432 10.059 0.353 1.00 0.00 O ATOM 1411 CB LYS B 92 0.901 11.860 1.753 1.00 0.00 C ATOM 1412 CG LYS B 92 1.485 11.690 0.375 1.00 0.00 C ATOM 1413 CD LYS B 92 2.716 12.565 0.225 1.00 0.00 C ATOM 1414 CE LYS B 92 3.136 12.729 -1.220 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.156 13.525 -2.004 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.266 8.804 1.351 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.279 10.832 3.232 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.338 12.793 1.786 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.714 11.952 2.473 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.748 10.645 0.208 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.744 11.957 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.516 13.546 0.656 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.539 12.130 0.792 1.00 0.00 H new ATOM 0 HE2 LYS B 92 4.111 13.215 -1.260 1.00 0.00 H new ATOM 0 HE3 LYS B 92 3.251 11.746 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 2.602 13.856 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 1.333 12.933 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 1.847 14.345 -1.443 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.261 11.532 1.843 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.555 11.666 1.203 1.00 0.00 C ATOM 1431 C GLN B 93 -3.460 12.613 0.019 1.00 0.00 C ATOM 1432 O GLN B 93 -2.713 13.591 0.048 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.618 12.156 2.199 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.414 13.580 2.717 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.278 13.710 3.713 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.091 14.035 3.226 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 -3.473 13.544 4.918 1.00 0.00 N flip ATOM 0 H GLN B 93 -2.155 12.101 2.683 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.860 10.683 0.844 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.596 12.096 1.721 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.637 11.476 3.050 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.221 14.240 1.872 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -5.337 13.922 3.185 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -4.403 13.294 5.254 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.705 13.657 5.579 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.215 12.310 -1.015 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.156 13.053 -2.259 1.00 0.00 C ATOM 1448 C ILE B 94 -5.402 13.917 -2.446 1.00 0.00 C ATOM 1449 O ILE B 94 -5.454 15.014 -1.853 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.991 12.084 -3.446 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.859 10.847 -3.216 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.529 11.692 -3.600 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.866 9.871 -4.371 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.323 13.501 -3.174 1.00 0.00 O ATOM 0 H ILE B 94 -4.887 11.543 -1.019 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.292 13.717 -2.219 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.312 12.575 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.508 10.332 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.882 11.167 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.423 11.007 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.930 12.585 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.185 11.203 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.505 9.023 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.247 10.367 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.851 9.519 -4.556 1.00 0.00 H new TER 1466 ILE B 94