USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 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 59 ASN : amide:sc= -7.07! C(o=-7.1!,f=-6.9!) USER MOD Set 1.2: B 87 MET CE :methyl 163:sc= -0.0711 (180deg=-0.45) USER MOD Set 2.1: B 83 ASN : amide:sc= 0.683 K(o=1.5,f=-1.4) USER MOD Set 2.2: B 85 LYS NZ :NH3+ -128:sc= 0.775 (180deg=-0.152) USER MOD Set 3.1: B 37 LYS NZ :NH3+ 156:sc= 1.19 (180deg=0) USER MOD Set 3.2: B 76 SER OG : rot 140:sc= 0 USER MOD Set 3.3: B 80 ASN : amide:sc= 2.22 K(o=3.4,f=-8.5!) USER MOD Set 4.1: B 62 LYS NZ :NH3+ 170:sc= -0.212 (180deg=-0.972) USER MOD Set 4.2: B 65 THR OG1 : rot 170:sc= 0.176 USER MOD Set 5.1: B 42 ASN : amide:sc= 0.384 K(o=0.75,f=0) USER MOD Set 5.2: B 74 ASN : amide:sc= 0.366 K(o=0.75,f=-0.019) USER MOD Set 6.1: B 32 ASN : amide:sc= 0.12 X(o=0.51,f=0.27) USER MOD Set 6.2: B 35 GLN : amide:sc= 0.385 K(o=0.51,f=-5.1!) USER MOD Set 7.1: B 9 GLN : amide:sc= -0.174 X(o=-1.3,f=-1.3) USER MOD Set 7.2: B 14 ASN : amide:sc= -1.08 X(o=-1.3,f=-1.3) USER MOD Set 7.3: B 31 MET CE :methyl 163:sc= -0.0144 (180deg=0) USER MOD Set 8.1: B 10 MET CE :methyl -179:sc= -1.13 (180deg=-1.13) USER MOD Set 8.2: B 12 SER OG : rot 180:sc=-0.000492 USER MOD Single : B 1 ASP N :NH3+ 138:sc= 0.05 (180deg=-0.0361) USER MOD Single : B 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 4 LYS NZ :NH3+ -163:sc= -0.0571 (180deg=-0.369) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 15 SER OG : rot 73:sc= 0.151 USER MOD Single : B 17 ASN : amide:sc= -3.14! K(o=-3.1!,f=-1.3) USER MOD Single : B 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0348) USER MOD Single : B 21 ASN : amide:sc= -0.0951 X(o=-0.095,f=-0.46) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -123:sc= 0.926 (180deg=-0.193) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= -0.34 USER MOD Single : B 34 ASN : amide:sc= -0.895 K(o=-0.89,f=-2.6!) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.385 USER MOD Single : B 40 SER OG : rot 32:sc= 0.982 USER MOD Single : B 41 SER OG : rot -150:sc= -0.11 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 30:sc= -0.167 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.387 K(o=-0.39,f=-4!) USER MOD Single : B 64 TYR OH : rot -165:sc= -0.247 USER MOD Single : B 67 ASN : amide:sc= -0.508 K(o=-0.51,f=-8.6!) USER MOD Single : B 69 LYS NZ :NH3+ 157:sc= -0.486 (180deg=-2.06!) USER MOD Single : B 70 SER OG : rot 180:sc= -0.403 USER MOD Single : B 71 THR OG1 : rot -10:sc= 1.37 USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 81 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.12) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 27.270 1.684 3.580 1.00 0.00 N ATOM 2 CA ASP B 1 25.876 1.299 3.910 1.00 0.00 C ATOM 3 C ASP B 1 25.636 -0.153 3.539 1.00 0.00 C ATOM 4 O ASP B 1 26.226 -0.664 2.589 1.00 0.00 O ATOM 5 CB ASP B 1 24.875 2.194 3.174 1.00 0.00 C ATOM 6 CG ASP B 1 25.057 2.152 1.673 1.00 0.00 C ATOM 7 OD1 ASP B 1 24.476 1.264 1.019 1.00 0.00 O ATOM 8 OD2 ASP B 1 25.792 3.010 1.142 1.00 0.00 O1- ATOM 0 H1 ASP B 1 27.276 2.632 3.152 1.00 0.00 H new ATOM 0 H2 ASP B 1 27.843 1.692 4.448 1.00 0.00 H new ATOM 0 H3 ASP B 1 27.670 0.998 2.908 1.00 0.00 H new ATOM 0 HA ASP B 1 25.731 1.427 4.983 1.00 0.00 H new ATOM 0 HB2 ASP B 1 23.861 1.881 3.423 1.00 0.00 H new ATOM 0 HB3 ASP B 1 24.986 3.221 3.522 1.00 0.00 H new ATOM 15 N ASN B 2 24.775 -0.814 4.289 1.00 0.00 N ATOM 16 CA ASN B 2 24.505 -2.225 4.078 1.00 0.00 C ATOM 17 C ASN B 2 23.017 -2.468 3.905 1.00 0.00 C ATOM 18 O ASN B 2 22.188 -1.720 4.425 1.00 0.00 O ATOM 19 CB ASN B 2 25.035 -3.047 5.254 1.00 0.00 C ATOM 20 CG ASN B 2 26.548 -3.139 5.266 1.00 0.00 C ATOM 21 OD1 ASN B 2 27.229 -2.288 5.837 1.00 0.00 O ATOM 22 ND2 ASN B 2 27.089 -4.168 4.631 1.00 0.00 N ATOM 0 H ASN B 2 24.247 -0.394 5.054 1.00 0.00 H new ATOM 0 HA ASN B 2 25.015 -2.537 3.167 1.00 0.00 H new ATOM 0 HB2 ASN B 2 24.694 -2.600 6.188 1.00 0.00 H new ATOM 0 HB3 ASN B 2 24.614 -4.051 5.209 1.00 0.00 H new ATOM 0 HD21 ASN B 2 28.103 -4.275 4.604 1.00 0.00 H new ATOM 0 HD22 ASN B 2 26.492 -4.854 4.169 1.00 0.00 H new ATOM 29 N GLN B 3 22.694 -3.535 3.182 1.00 0.00 N ATOM 30 CA GLN B 3 21.313 -3.898 2.871 1.00 0.00 C ATOM 31 C GLN B 3 20.552 -4.327 4.122 1.00 0.00 C ATOM 32 O GLN B 3 19.363 -4.637 4.061 1.00 0.00 O ATOM 33 CB GLN B 3 21.302 -5.031 1.846 1.00 0.00 C ATOM 34 CG GLN B 3 21.961 -6.302 2.355 1.00 0.00 C ATOM 35 CD GLN B 3 22.022 -7.395 1.312 1.00 0.00 C ATOM 36 OE1 GLN B 3 21.169 -7.478 0.429 1.00 0.00 O ATOM 37 NE2 GLN B 3 23.031 -8.241 1.407 1.00 0.00 N ATOM 0 H GLN B 3 23.385 -4.176 2.793 1.00 0.00 H new ATOM 0 HA GLN B 3 20.815 -3.020 2.461 1.00 0.00 H new ATOM 0 HB2 GLN B 3 20.271 -5.250 1.567 1.00 0.00 H new ATOM 0 HB3 GLN B 3 21.814 -4.700 0.942 1.00 0.00 H new ATOM 0 HG2 GLN B 3 22.972 -6.071 2.691 1.00 0.00 H new ATOM 0 HG3 GLN B 3 21.412 -6.666 3.223 1.00 0.00 H new ATOM 0 HE21 GLN B 3 23.716 -8.136 2.155 1.00 0.00 H new ATOM 0 HE22 GLN B 3 23.125 -9.000 0.732 1.00 0.00 H new ATOM 46 N LYS B 4 21.251 -4.359 5.248 1.00 0.00 N ATOM 47 CA LYS B 4 20.670 -4.678 6.522 1.00 0.00 C ATOM 48 C LYS B 4 19.913 -3.469 7.076 1.00 0.00 C ATOM 49 O LYS B 4 19.130 -3.582 8.020 1.00 0.00 O ATOM 50 CB LYS B 4 21.805 -5.087 7.454 1.00 0.00 C ATOM 51 CG LYS B 4 21.355 -5.443 8.846 1.00 0.00 C ATOM 52 CD LYS B 4 20.516 -6.710 8.864 1.00 0.00 C ATOM 53 CE LYS B 4 20.151 -7.115 10.283 1.00 0.00 C ATOM 54 NZ LYS B 4 21.355 -7.397 11.108 1.00 0.00 N1+ ATOM 0 H LYS B 4 22.250 -4.160 5.291 1.00 0.00 H new ATOM 0 HA LYS B 4 19.953 -5.493 6.427 1.00 0.00 H new ATOM 0 HB2 LYS B 4 22.326 -5.941 7.022 1.00 0.00 H new ATOM 0 HB3 LYS B 4 22.525 -4.271 7.513 1.00 0.00 H new ATOM 0 HG2 LYS B 4 22.227 -5.576 9.486 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.776 -4.618 9.262 1.00 0.00 H new ATOM 0 HD2 LYS B 4 19.607 -6.554 8.284 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.066 -7.519 8.383 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.570 -6.319 10.749 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.515 -8.000 10.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 21.078 -7.935 11.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 22.035 -7.953 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.795 -6.500 11.397 1.00 0.00 H new ATOM 68 N ALA B 5 20.146 -2.313 6.466 1.00 0.00 N ATOM 69 CA ALA B 5 19.516 -1.073 6.895 1.00 0.00 C ATOM 70 C ALA B 5 18.047 -1.028 6.480 1.00 0.00 C ATOM 71 O ALA B 5 17.485 -2.022 6.019 1.00 0.00 O ATOM 72 CB ALA B 5 20.267 0.116 6.319 1.00 0.00 C ATOM 0 H ALA B 5 20.772 -2.210 5.667 1.00 0.00 H new ATOM 0 HA ALA B 5 19.556 -1.027 7.983 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.790 1.040 6.644 1.00 0.00 H new ATOM 0 HB2 ALA B 5 21.299 0.098 6.668 1.00 0.00 H new ATOM 0 HB3 ALA B 5 20.251 0.063 5.230 1.00 0.00 H new ATOM 78 N LEU B 6 17.436 0.139 6.629 1.00 0.00 N ATOM 79 CA LEU B 6 16.021 0.320 6.335 1.00 0.00 C ATOM 80 C LEU B 6 15.760 0.473 4.835 1.00 0.00 C ATOM 81 O LEU B 6 14.743 1.037 4.436 1.00 0.00 O ATOM 82 CB LEU B 6 15.468 1.538 7.086 1.00 0.00 C ATOM 83 CG LEU B 6 15.605 1.484 8.610 1.00 0.00 C ATOM 84 CD1 LEU B 6 16.944 2.049 9.064 1.00 0.00 C ATOM 85 CD2 LEU B 6 14.455 2.223 9.275 1.00 0.00 C ATOM 0 H LEU B 6 17.905 0.984 6.956 1.00 0.00 H new ATOM 0 HA LEU B 6 15.506 -0.580 6.673 1.00 0.00 H new ATOM 0 HB2 LEU B 6 15.978 2.430 6.723 1.00 0.00 H new ATOM 0 HB3 LEU B 6 14.413 1.650 6.836 1.00 0.00 H new ATOM 0 HG LEU B 6 15.566 0.438 8.914 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.011 1.997 10.151 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.753 1.467 8.622 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.028 3.088 8.745 1.00 0.00 H new ATOM 0 HD21 LEU B 6 14.569 2.174 10.358 1.00 0.00 H new ATOM 0 HD22 LEU B 6 14.460 3.265 8.956 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.511 1.760 8.988 1.00 0.00 H new ATOM 97 N GLU B 7 16.682 -0.013 4.009 1.00 0.00 N ATOM 98 CA GLU B 7 16.512 0.032 2.564 1.00 0.00 C ATOM 99 C GLU B 7 15.311 -0.816 2.143 1.00 0.00 C ATOM 100 O GLU B 7 14.283 -0.287 1.722 1.00 0.00 O ATOM 101 CB GLU B 7 17.782 -0.448 1.862 1.00 0.00 C ATOM 102 CG GLU B 7 19.038 0.268 2.336 1.00 0.00 C ATOM 103 CD GLU B 7 20.210 0.071 1.400 1.00 0.00 C ATOM 104 OE1 GLU B 7 20.865 -0.985 1.471 1.00 0.00 O ATOM 105 OE2 GLU B 7 20.472 0.971 0.574 1.00 0.00 O1- ATOM 0 H GLU B 7 17.554 -0.442 4.318 1.00 0.00 H new ATOM 0 HA GLU B 7 16.326 1.064 2.268 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.898 -1.519 2.028 1.00 0.00 H new ATOM 0 HB3 GLU B 7 17.672 -0.302 0.787 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.830 1.334 2.432 1.00 0.00 H new ATOM 0 HG3 GLU B 7 19.306 -0.095 3.328 1.00 0.00 H new ATOM 112 N GLU B 8 15.435 -2.133 2.274 1.00 0.00 N ATOM 113 CA GLU B 8 14.331 -3.026 1.995 1.00 0.00 C ATOM 114 C GLU B 8 13.402 -3.095 3.191 1.00 0.00 C ATOM 115 O GLU B 8 12.212 -3.385 3.072 1.00 0.00 O ATOM 116 CB GLU B 8 14.828 -4.428 1.640 1.00 0.00 C ATOM 117 CG GLU B 8 15.790 -4.463 0.467 1.00 0.00 C ATOM 118 CD GLU B 8 16.185 -5.876 0.092 1.00 0.00 C ATOM 119 OE1 GLU B 8 17.154 -6.406 0.676 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 15.526 -6.469 -0.788 1.00 0.00 O ATOM 0 H GLU B 8 16.292 -2.599 2.572 1.00 0.00 H new ATOM 0 HA GLU B 8 13.787 -2.631 1.137 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.319 -4.860 2.512 1.00 0.00 H new ATOM 0 HB3 GLU B 8 13.970 -5.060 1.412 1.00 0.00 H new ATOM 0 HG2 GLU B 8 15.330 -3.976 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU B 8 16.684 -3.892 0.716 1.00 0.00 H new ATOM 127 N GLN B 9 13.962 -2.801 4.340 1.00 0.00 N ATOM 128 CA GLN B 9 13.218 -2.834 5.587 1.00 0.00 C ATOM 129 C GLN B 9 12.681 -1.442 5.895 1.00 0.00 C ATOM 130 O GLN B 9 13.086 -0.797 6.859 1.00 0.00 O ATOM 131 CB GLN B 9 14.107 -3.345 6.728 1.00 0.00 C ATOM 132 CG GLN B 9 13.352 -4.066 7.842 1.00 0.00 C ATOM 133 CD GLN B 9 12.494 -3.149 8.696 1.00 0.00 C ATOM 134 OE1 GLN B 9 12.958 -2.606 9.697 1.00 0.00 O ATOM 135 NE2 GLN B 9 11.235 -2.984 8.320 1.00 0.00 N ATOM 0 H GLN B 9 14.941 -2.533 4.442 1.00 0.00 H new ATOM 0 HA GLN B 9 12.377 -3.520 5.488 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.854 -4.023 6.315 1.00 0.00 H new ATOM 0 HB3 GLN B 9 14.646 -2.501 7.158 1.00 0.00 H new ATOM 0 HG2 GLN B 9 12.717 -4.834 7.400 1.00 0.00 H new ATOM 0 HG3 GLN B 9 14.070 -4.577 8.483 1.00 0.00 H new ATOM 0 HE21 GLN B 9 10.887 -3.452 7.483 1.00 0.00 H new ATOM 0 HE22 GLN B 9 10.613 -2.389 8.867 1.00 0.00 H new ATOM 144 N MET B 10 11.779 -0.979 5.047 1.00 0.00 N ATOM 145 CA MET B 10 11.150 0.313 5.240 1.00 0.00 C ATOM 146 C MET B 10 10.013 0.193 6.241 1.00 0.00 C ATOM 147 O MET B 10 9.047 -0.533 6.017 1.00 0.00 O ATOM 148 CB MET B 10 10.624 0.862 3.910 1.00 0.00 C ATOM 149 CG MET B 10 11.702 1.457 3.021 1.00 0.00 C ATOM 150 SD MET B 10 12.366 3.003 3.671 1.00 0.00 S ATOM 151 CE MET B 10 10.952 4.090 3.500 1.00 0.00 C ATOM 0 H MET B 10 11.466 -1.481 4.216 1.00 0.00 H new ATOM 0 HA MET B 10 11.896 1.007 5.628 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.123 0.059 3.369 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.873 1.625 4.115 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.513 0.737 2.909 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.291 1.632 2.027 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.217 5.089 3.846 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.653 4.136 2.453 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.124 3.707 4.097 1.00 0.00 H new ATOM 161 N ASN B 11 10.145 0.898 7.353 1.00 0.00 N ATOM 162 CA ASN B 11 9.125 0.926 8.384 1.00 0.00 C ATOM 163 C ASN B 11 7.799 1.427 7.819 1.00 0.00 C ATOM 164 O ASN B 11 6.726 1.115 8.336 1.00 0.00 O ATOM 165 CB ASN B 11 9.576 1.825 9.536 1.00 0.00 C ATOM 166 CG ASN B 11 8.599 1.833 10.700 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.683 2.653 10.756 1.00 0.00 O ATOM 168 ND2 ASN B 11 8.789 0.924 11.642 1.00 0.00 N ATOM 0 H ASN B 11 10.964 1.467 7.565 1.00 0.00 H new ATOM 0 HA ASN B 11 8.979 -0.089 8.755 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.551 1.491 9.890 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.702 2.843 9.167 1.00 0.00 H new ATOM 0 HD21 ASN B 11 8.165 0.887 12.448 1.00 0.00 H new ATOM 0 HD22 ASN B 11 9.559 0.260 11.562 1.00 0.00 H new ATOM 175 N SER B 12 7.891 2.179 6.728 1.00 0.00 N ATOM 176 CA SER B 12 6.727 2.755 6.081 1.00 0.00 C ATOM 177 C SER B 12 5.849 1.649 5.512 1.00 0.00 C ATOM 178 O SER B 12 4.628 1.782 5.445 1.00 0.00 O ATOM 179 CB SER B 12 7.176 3.706 4.970 1.00 0.00 C ATOM 180 OG SER B 12 8.155 4.616 5.450 1.00 0.00 O ATOM 0 H SER B 12 8.775 2.404 6.271 1.00 0.00 H new ATOM 0 HA SER B 12 6.146 3.316 6.813 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.583 3.133 4.137 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.317 4.257 4.588 1.00 0.00 H new ATOM 0 HG SER B 12 8.430 5.214 4.724 1.00 0.00 H new ATOM 186 N ILE B 13 6.481 0.541 5.131 1.00 0.00 N ATOM 187 CA ILE B 13 5.758 -0.603 4.605 1.00 0.00 C ATOM 188 C ILE B 13 4.828 -1.147 5.673 1.00 0.00 C ATOM 189 O ILE B 13 3.674 -1.491 5.416 1.00 0.00 O ATOM 190 CB ILE B 13 6.712 -1.742 4.192 1.00 0.00 C ATOM 191 CG1 ILE B 13 7.854 -1.212 3.330 1.00 0.00 C ATOM 192 CG2 ILE B 13 5.952 -2.840 3.458 1.00 0.00 C ATOM 193 CD1 ILE B 13 7.454 -0.865 1.910 1.00 0.00 C ATOM 0 H ILE B 13 7.492 0.416 5.179 1.00 0.00 H new ATOM 0 HA ILE B 13 5.205 -0.264 3.729 1.00 0.00 H new ATOM 0 HB ILE B 13 7.142 -2.167 5.099 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.270 -0.324 3.805 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.647 -1.959 3.299 1.00 0.00 H new ATOM 0 HG21 ILE B 13 6.643 -3.634 3.175 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.179 -3.247 4.111 1.00 0.00 H new ATOM 0 HG23 ILE B 13 5.489 -2.426 2.562 1.00 0.00 H new ATOM 0 HD11 ILE B 13 8.324 -0.496 1.367 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.066 -1.755 1.414 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.683 -0.094 1.927 1.00 0.00 H new ATOM 205 N ASN B 14 5.357 -1.190 6.884 1.00 0.00 N ATOM 206 CA ASN B 14 4.674 -1.789 8.015 1.00 0.00 C ATOM 207 C ASN B 14 3.497 -0.917 8.430 1.00 0.00 C ATOM 208 O ASN B 14 2.455 -1.416 8.855 1.00 0.00 O ATOM 209 CB ASN B 14 5.652 -1.955 9.186 1.00 0.00 C ATOM 210 CG ASN B 14 7.016 -2.488 8.763 1.00 0.00 C ATOM 211 OD1 ASN B 14 8.029 -2.192 9.396 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.057 -3.266 7.691 1.00 0.00 N ATOM 0 H ASN B 14 6.276 -0.809 7.110 1.00 0.00 H new ATOM 0 HA ASN B 14 4.299 -2.771 7.728 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.783 -0.992 9.680 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.217 -2.633 9.920 1.00 0.00 H new ATOM 0 HD21 ASN B 14 7.949 -3.640 7.366 1.00 0.00 H new ATOM 0 HD22 ASN B 14 6.197 -3.491 7.191 1.00 0.00 H new ATOM 219 N SER B 15 3.675 0.391 8.290 1.00 0.00 N ATOM 220 CA SER B 15 2.629 1.346 8.583 1.00 0.00 C ATOM 221 C SER B 15 1.494 1.211 7.573 1.00 0.00 C ATOM 222 O SER B 15 0.329 1.163 7.950 1.00 0.00 O ATOM 223 CB SER B 15 3.200 2.764 8.567 1.00 0.00 C ATOM 224 OG SER B 15 4.331 2.860 9.419 1.00 0.00 O ATOM 0 H SER B 15 4.547 0.812 7.971 1.00 0.00 H new ATOM 0 HA SER B 15 2.229 1.143 9.576 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.481 3.037 7.550 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.436 3.472 8.887 1.00 0.00 H new ATOM 0 HG SER B 15 5.092 2.401 9.006 1.00 0.00 H new ATOM 230 N VAL B 16 1.845 1.123 6.291 1.00 0.00 N ATOM 231 CA VAL B 16 0.852 0.928 5.234 1.00 0.00 C ATOM 232 C VAL B 16 0.097 -0.379 5.451 1.00 0.00 C ATOM 233 O VAL B 16 -1.129 -0.430 5.335 1.00 0.00 O ATOM 234 CB VAL B 16 1.505 0.909 3.836 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.498 0.512 2.766 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.112 2.262 3.508 1.00 0.00 C ATOM 0 H VAL B 16 2.807 1.183 5.959 1.00 0.00 H new ATOM 0 HA VAL B 16 0.159 1.768 5.281 1.00 0.00 H new ATOM 0 HB VAL B 16 2.300 0.164 3.851 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.986 0.507 1.791 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.110 -0.483 2.983 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.324 1.228 2.757 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.567 2.226 2.518 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.332 3.024 3.522 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.873 2.508 4.248 1.00 0.00 H new ATOM 246 N ASN B 17 0.849 -1.425 5.772 1.00 0.00 N ATOM 247 CA ASN B 17 0.286 -2.737 6.080 1.00 0.00 C ATOM 248 C ASN B 17 -0.795 -2.629 7.151 1.00 0.00 C ATOM 249 O ASN B 17 -1.909 -3.124 6.975 1.00 0.00 O ATOM 250 CB ASN B 17 1.407 -3.673 6.555 1.00 0.00 C ATOM 251 CG ASN B 17 0.914 -4.971 7.180 1.00 0.00 C ATOM 252 OD1 ASN B 17 1.537 -5.495 8.099 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.187 -5.507 6.689 1.00 0.00 N ATOM 0 H ASN B 17 1.867 -1.389 5.827 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.172 -3.142 5.178 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.049 -3.912 5.707 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.023 -3.144 7.282 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.544 -6.382 7.073 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.682 -5.047 5.925 1.00 0.00 H new ATOM 260 N ASP B 18 -0.471 -1.951 8.238 1.00 0.00 N ATOM 261 CA ASP B 18 -1.361 -1.868 9.380 1.00 0.00 C ATOM 262 C ASP B 18 -2.431 -0.807 9.169 1.00 0.00 C ATOM 263 O ASP B 18 -3.437 -0.790 9.869 1.00 0.00 O ATOM 264 CB ASP B 18 -0.556 -1.563 10.640 1.00 0.00 C ATOM 265 CG ASP B 18 -0.573 -2.709 11.629 1.00 0.00 C ATOM 266 OD1 ASP B 18 0.240 -3.644 11.479 1.00 0.00 O ATOM 267 OD2 ASP B 18 -1.396 -2.684 12.566 1.00 0.00 O1- ATOM 0 H ASP B 18 0.408 -1.447 8.353 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.862 -2.829 9.495 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.475 -1.341 10.364 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.958 -0.669 11.117 1.00 0.00 H new ATOM 272 N LYS B 19 -2.193 0.096 8.225 1.00 0.00 N ATOM 273 CA LYS B 19 -3.143 1.117 7.869 1.00 0.00 C ATOM 274 C LYS B 19 -4.253 0.573 6.970 1.00 0.00 C ATOM 275 O LYS B 19 -5.438 0.798 7.219 1.00 0.00 O ATOM 276 CB LYS B 19 -2.377 2.204 7.147 1.00 0.00 C ATOM 277 CG LYS B 19 -2.548 3.573 7.746 1.00 0.00 C ATOM 278 CD LYS B 19 -3.954 4.116 7.534 1.00 0.00 C ATOM 279 CE LYS B 19 -4.117 4.773 6.171 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.454 6.103 6.113 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.327 0.132 7.688 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.627 1.498 8.768 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.317 1.949 7.146 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.699 2.231 6.106 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.333 3.531 8.814 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.824 4.256 7.301 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.674 3.304 7.632 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.183 4.841 8.315 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.697 4.124 5.403 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -5.178 4.886 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.728 6.589 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.748 6.673 6.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.422 5.977 6.132 1.00 0.00 H new ATOM 294 N LEU B 20 -3.861 -0.126 5.915 1.00 0.00 N ATOM 295 CA LEU B 20 -4.817 -0.660 4.954 1.00 0.00 C ATOM 296 C LEU B 20 -5.583 -1.841 5.534 1.00 0.00 C ATOM 297 O LEU B 20 -6.804 -1.937 5.381 1.00 0.00 O ATOM 298 CB LEU B 20 -4.109 -1.082 3.671 1.00 0.00 C ATOM 299 CG LEU B 20 -3.508 0.060 2.853 1.00 0.00 C ATOM 300 CD1 LEU B 20 -2.882 -0.474 1.573 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.570 1.104 2.539 1.00 0.00 C ATOM 0 H LEU B 20 -2.886 -0.337 5.702 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.530 0.132 4.724 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.313 -1.782 3.927 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.819 -1.622 3.044 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.725 0.535 3.443 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.459 0.353 1.003 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.093 -1.184 1.822 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.645 -0.974 0.976 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.126 1.911 1.956 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.375 0.643 1.967 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.971 1.507 3.469 1.00 0.00 H new ATOM 313 N ASN B 21 -4.863 -2.722 6.210 1.00 0.00 N ATOM 314 CA ASN B 21 -5.445 -3.935 6.765 1.00 0.00 C ATOM 315 C ASN B 21 -6.048 -3.662 8.140 1.00 0.00 C ATOM 316 O ASN B 21 -5.481 -4.026 9.171 1.00 0.00 O ATOM 317 CB ASN B 21 -4.378 -5.028 6.854 1.00 0.00 C ATOM 318 CG ASN B 21 -4.895 -6.325 7.446 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.066 -6.675 7.296 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.023 -7.042 8.137 1.00 0.00 N ATOM 0 H ASN B 21 -3.864 -2.618 6.389 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.245 -4.274 6.107 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.984 -5.224 5.857 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.547 -4.666 7.459 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.313 -7.920 8.569 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.061 -6.717 8.238 1.00 0.00 H new ATOM 327 N LYS B 22 -7.189 -2.996 8.143 1.00 0.00 N ATOM 328 CA LYS B 22 -7.917 -2.722 9.375 1.00 0.00 C ATOM 329 C LYS B 22 -9.387 -3.090 9.224 1.00 0.00 C ATOM 330 O LYS B 22 -9.835 -4.128 9.710 1.00 0.00 O ATOM 331 CB LYS B 22 -7.798 -1.250 9.774 1.00 0.00 C ATOM 332 CG LYS B 22 -6.392 -0.823 10.152 1.00 0.00 C ATOM 333 CD LYS B 22 -6.349 0.624 10.623 1.00 0.00 C ATOM 334 CE LYS B 22 -7.102 0.809 11.931 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.061 2.219 12.401 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.636 -2.632 7.302 1.00 0.00 H new ATOM 0 HA LYS B 22 -7.472 -3.333 10.160 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.144 -0.631 8.946 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.463 -1.058 10.616 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.014 -1.474 10.941 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.731 -0.946 9.294 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.312 0.935 10.752 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.782 1.269 9.859 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.139 0.500 11.799 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -6.671 0.160 12.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -7.586 2.302 13.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.073 2.506 12.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -7.496 2.836 11.686 1.00 0.00 H new ATOM 349 N GLY B 23 -10.132 -2.229 8.546 1.00 0.00 N ATOM 350 CA GLY B 23 -11.547 -2.460 8.360 1.00 0.00 C ATOM 351 C GLY B 23 -11.941 -2.480 6.900 1.00 0.00 C ATOM 352 O GLY B 23 -12.920 -1.844 6.503 1.00 0.00 O ATOM 0 H GLY B 23 -9.779 -1.372 8.121 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.821 -3.409 8.820 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.110 -1.682 8.875 1.00 0.00 H new ATOM 356 N LYS B 24 -11.172 -3.192 6.096 1.00 0.00 N ATOM 357 CA LYS B 24 -11.505 -3.381 4.696 1.00 0.00 C ATOM 358 C LYS B 24 -11.740 -4.862 4.432 1.00 0.00 C ATOM 359 O LYS B 24 -12.336 -5.557 5.256 1.00 0.00 O ATOM 360 CB LYS B 24 -10.394 -2.855 3.783 1.00 0.00 C ATOM 361 CG LYS B 24 -10.050 -1.389 4.002 1.00 0.00 C ATOM 362 CD LYS B 24 -8.921 -0.942 3.088 1.00 0.00 C ATOM 363 CE LYS B 24 -8.718 0.565 3.136 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.327 1.046 4.489 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.310 -3.650 6.390 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.411 -2.816 4.475 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.497 -3.454 3.938 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.695 -2.995 2.745 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.932 -0.775 3.820 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.762 -1.233 5.042 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -7.998 -1.443 3.379 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -9.140 -1.247 2.065 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -7.949 0.848 2.417 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.638 1.062 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -9.010 1.760 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.320 0.246 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.378 1.469 4.446 1.00 0.00 H new ATOM 378 N GLY B 25 -11.278 -5.339 3.287 1.00 0.00 N ATOM 379 CA GLY B 25 -11.464 -6.728 2.943 1.00 0.00 C ATOM 380 C GLY B 25 -10.376 -7.600 3.520 1.00 0.00 C ATOM 381 O GLY B 25 -9.391 -7.093 4.060 1.00 0.00 O ATOM 0 H GLY B 25 -10.777 -4.787 2.591 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.433 -7.066 3.309 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.478 -6.835 1.858 1.00 0.00 H new ATOM 385 N LYS B 26 -10.564 -8.907 3.418 1.00 0.00 N ATOM 386 CA LYS B 26 -9.553 -9.861 3.825 1.00 0.00 C ATOM 387 C LYS B 26 -8.316 -9.648 2.972 1.00 0.00 C ATOM 388 O LYS B 26 -8.412 -9.610 1.749 1.00 0.00 O ATOM 389 CB LYS B 26 -10.095 -11.276 3.651 1.00 0.00 C ATOM 390 CG LYS B 26 -10.033 -12.102 4.914 1.00 0.00 C ATOM 391 CD LYS B 26 -10.806 -13.405 4.780 1.00 0.00 C ATOM 392 CE LYS B 26 -10.504 -14.128 3.473 1.00 0.00 C ATOM 393 NZ LYS B 26 -11.113 -15.482 3.430 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.417 -9.331 3.053 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.292 -9.720 4.874 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.129 -11.222 3.312 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.529 -11.780 2.868 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -8.992 -12.321 5.154 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.437 -11.524 5.745 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.561 -14.058 5.618 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.875 -13.198 4.839 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.877 -13.536 2.637 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -9.425 -14.212 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.883 -15.938 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.738 -16.056 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.146 -15.401 3.524 1.00 0.00 H new ATOM 407 N LEU B 27 -7.171 -9.475 3.605 1.00 0.00 N ATOM 408 CA LEU B 27 -5.990 -9.054 2.909 1.00 0.00 C ATOM 409 C LEU B 27 -4.735 -9.440 3.692 1.00 0.00 C ATOM 410 O LEU B 27 -4.513 -8.966 4.806 1.00 0.00 O ATOM 411 CB LEU B 27 -6.071 -7.543 2.709 1.00 0.00 C ATOM 412 CG LEU B 27 -4.750 -6.868 2.421 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.289 -7.174 1.006 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.851 -5.369 2.652 1.00 0.00 C ATOM 0 H LEU B 27 -7.043 -9.623 4.606 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.928 -9.550 1.940 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.755 -7.336 1.886 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.504 -7.095 3.604 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.004 -7.264 3.110 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.336 -6.679 0.819 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.168 -8.251 0.888 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.032 -6.812 0.295 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.889 -4.902 2.439 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.612 -4.950 1.993 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.125 -5.178 3.690 1.00 0.00 H new ATOM 426 N SER B 28 -3.937 -10.318 3.109 1.00 0.00 N ATOM 427 CA SER B 28 -2.681 -10.737 3.709 1.00 0.00 C ATOM 428 C SER B 28 -1.510 -10.137 2.942 1.00 0.00 C ATOM 429 O SER B 28 -1.295 -10.463 1.775 1.00 0.00 O ATOM 430 CB SER B 28 -2.583 -12.261 3.708 1.00 0.00 C ATOM 431 OG SER B 28 -3.617 -12.840 4.486 1.00 0.00 O ATOM 0 H SER B 28 -4.139 -10.759 2.212 1.00 0.00 H new ATOM 0 HA SER B 28 -2.646 -10.382 4.739 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.643 -12.632 2.685 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.613 -12.566 4.101 1.00 0.00 H new ATOM 0 HG SER B 28 -3.533 -13.816 4.468 1.00 0.00 H new ATOM 437 N LEU B 29 -0.764 -9.255 3.593 1.00 0.00 N ATOM 438 CA LEU B 29 0.351 -8.580 2.944 1.00 0.00 C ATOM 439 C LEU B 29 1.624 -9.409 3.036 1.00 0.00 C ATOM 440 O LEU B 29 1.796 -10.227 3.940 1.00 0.00 O ATOM 441 CB LEU B 29 0.614 -7.197 3.556 1.00 0.00 C ATOM 442 CG LEU B 29 -0.467 -6.130 3.348 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.802 -5.971 1.876 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.704 -6.463 4.147 1.00 0.00 C ATOM 0 H LEU B 29 -0.910 -8.991 4.567 1.00 0.00 H new ATOM 0 HA LEU B 29 0.071 -8.456 1.898 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.764 -7.323 4.628 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.550 -6.817 3.146 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.074 -5.178 3.705 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.571 -5.208 1.758 1.00 0.00 H new ATOM 0 HD12 LEU B 29 0.092 -5.672 1.330 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.168 -6.919 1.482 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.459 -5.694 3.986 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.095 -7.429 3.826 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.452 -6.507 5.206 1.00 0.00 H new ATOM 456 N SER B 30 2.504 -9.169 2.090 1.00 0.00 N ATOM 457 CA SER B 30 3.799 -9.816 2.016 1.00 0.00 C ATOM 458 C SER B 30 4.800 -8.831 1.422 1.00 0.00 C ATOM 459 O SER B 30 4.411 -7.913 0.697 1.00 0.00 O ATOM 460 CB SER B 30 3.703 -11.086 1.170 1.00 0.00 C ATOM 461 OG SER B 30 2.568 -11.046 0.320 1.00 0.00 O ATOM 0 H SER B 30 2.338 -8.505 1.334 1.00 0.00 H new ATOM 0 HA SER B 30 4.134 -10.108 3.011 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.607 -11.197 0.571 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.643 -11.958 1.822 1.00 0.00 H new ATOM 0 HG SER B 30 2.529 -11.868 -0.212 1.00 0.00 H new ATOM 467 N MET B 31 6.074 -8.995 1.728 1.00 0.00 N ATOM 468 CA MET B 31 7.058 -7.989 1.357 1.00 0.00 C ATOM 469 C MET B 31 8.131 -8.556 0.441 1.00 0.00 C ATOM 470 O MET B 31 8.519 -9.718 0.559 1.00 0.00 O ATOM 471 CB MET B 31 7.700 -7.404 2.613 1.00 0.00 C ATOM 472 CG MET B 31 6.683 -6.861 3.600 1.00 0.00 C ATOM 473 SD MET B 31 7.436 -6.255 5.116 1.00 0.00 S ATOM 474 CE MET B 31 5.971 -5.893 6.078 1.00 0.00 C ATOM 0 H MET B 31 6.450 -9.802 2.225 1.00 0.00 H new ATOM 0 HA MET B 31 6.539 -7.203 0.809 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.297 -8.174 3.102 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.383 -6.604 2.327 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.123 -6.053 3.130 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.966 -7.645 3.844 1.00 0.00 H new ATOM 0 HE1 MET B 31 6.241 -5.798 7.130 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.530 -4.959 5.731 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.249 -6.701 5.960 1.00 0.00 H new ATOM 484 N ASN B 32 8.587 -7.727 -0.484 1.00 0.00 N ATOM 485 CA ASN B 32 9.702 -8.072 -1.360 1.00 0.00 C ATOM 486 C ASN B 32 10.375 -6.790 -1.822 1.00 0.00 C ATOM 487 O ASN B 32 9.812 -6.049 -2.620 1.00 0.00 O ATOM 488 CB ASN B 32 9.218 -8.881 -2.567 1.00 0.00 C ATOM 489 CG ASN B 32 10.369 -9.419 -3.397 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.899 -10.495 -3.117 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.756 -8.682 -4.426 1.00 0.00 N ATOM 0 H ASN B 32 8.198 -6.799 -0.651 1.00 0.00 H new ATOM 0 HA ASN B 32 10.414 -8.688 -0.811 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.602 -9.712 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.584 -8.253 -3.193 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.520 -9.000 -5.022 1.00 0.00 H new ATOM 0 HD22 ASN B 32 10.290 -7.796 -4.623 1.00 0.00 H new ATOM 498 N GLY B 33 11.569 -6.514 -1.320 1.00 0.00 N ATOM 499 CA GLY B 33 12.149 -5.202 -1.532 1.00 0.00 C ATOM 500 C GLY B 33 11.356 -4.170 -0.771 1.00 0.00 C ATOM 501 O GLY B 33 11.348 -4.173 0.459 1.00 0.00 O ATOM 0 H GLY B 33 12.140 -7.162 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY B 33 13.187 -5.194 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.152 -4.962 -2.595 1.00 0.00 H new ATOM 505 N ASN B 34 10.663 -3.307 -1.488 1.00 0.00 N ATOM 506 CA ASN B 34 9.681 -2.434 -0.866 1.00 0.00 C ATOM 507 C ASN B 34 8.330 -2.638 -1.531 1.00 0.00 C ATOM 508 O ASN B 34 7.449 -1.784 -1.451 1.00 0.00 O ATOM 509 CB ASN B 34 10.071 -0.958 -0.955 1.00 0.00 C ATOM 510 CG ASN B 34 11.342 -0.600 -0.223 1.00 0.00 C ATOM 511 OD1 ASN B 34 12.056 0.318 -0.618 1.00 0.00 O ATOM 512 ND2 ASN B 34 11.625 -1.293 0.856 1.00 0.00 N ATOM 0 H ASN B 34 10.759 -3.190 -2.497 1.00 0.00 H new ATOM 0 HA ASN B 34 9.634 -2.698 0.191 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.183 -0.688 -2.005 1.00 0.00 H new ATOM 0 HB3 ASN B 34 9.255 -0.355 -0.556 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.462 -1.076 1.397 1.00 0.00 H new ATOM 0 HD22 ASN B 34 11.008 -2.049 1.153 1.00 0.00 H new ATOM 519 N GLN B 35 8.181 -3.775 -2.205 1.00 0.00 N ATOM 520 CA GLN B 35 6.931 -4.104 -2.868 1.00 0.00 C ATOM 521 C GLN B 35 5.874 -4.466 -1.850 1.00 0.00 C ATOM 522 O GLN B 35 6.180 -4.934 -0.751 1.00 0.00 O ATOM 523 CB GLN B 35 7.088 -5.285 -3.825 1.00 0.00 C ATOM 524 CG GLN B 35 8.087 -5.064 -4.942 1.00 0.00 C ATOM 525 CD GLN B 35 8.305 -6.320 -5.763 1.00 0.00 C ATOM 526 OE1 GLN B 35 8.196 -7.436 -5.254 1.00 0.00 O ATOM 527 NE2 GLN B 35 8.613 -6.156 -7.035 1.00 0.00 N ATOM 0 H GLN B 35 8.911 -4.480 -2.304 1.00 0.00 H new ATOM 0 HA GLN B 35 6.634 -3.221 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.391 -6.162 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.116 -5.511 -4.264 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.734 -4.263 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN B 35 9.037 -4.737 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN B 35 8.695 -5.216 -7.423 1.00 0.00 H new ATOM 0 HE22 GLN B 35 8.769 -6.969 -7.631 1.00 0.00 H new ATOM 536 N LEU B 36 4.636 -4.277 -2.240 1.00 0.00 N ATOM 537 CA LEU B 36 3.519 -4.658 -1.408 1.00 0.00 C ATOM 538 C LEU B 36 2.781 -5.808 -2.062 1.00 0.00 C ATOM 539 O LEU B 36 1.889 -5.617 -2.890 1.00 0.00 O ATOM 540 CB LEU B 36 2.567 -3.496 -1.192 1.00 0.00 C ATOM 541 CG LEU B 36 1.558 -3.695 -0.062 1.00 0.00 C ATOM 542 CD1 LEU B 36 2.269 -3.865 1.273 1.00 0.00 C ATOM 543 CD2 LEU B 36 0.581 -2.530 -0.006 1.00 0.00 C ATOM 0 H LEU B 36 4.376 -3.859 -3.133 1.00 0.00 H new ATOM 0 HA LEU B 36 3.903 -4.962 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.151 -2.600 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.022 -3.314 -2.118 1.00 0.00 H new ATOM 0 HG LEU B 36 0.994 -4.606 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.531 -4.005 2.063 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.923 -4.736 1.229 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.863 -2.976 1.485 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.130 -2.690 0.805 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.129 -1.604 0.169 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.043 -2.461 -0.951 1.00 0.00 H new ATOM 555 N LYS B 37 3.181 -6.992 -1.689 1.00 0.00 N ATOM 556 CA LYS B 37 2.593 -8.210 -2.208 1.00 0.00 C ATOM 557 C LYS B 37 1.434 -8.573 -1.305 1.00 0.00 C ATOM 558 O LYS B 37 1.460 -8.229 -0.124 1.00 0.00 O ATOM 559 CB LYS B 37 3.634 -9.335 -2.231 1.00 0.00 C ATOM 560 CG LYS B 37 4.984 -8.917 -2.811 1.00 0.00 C ATOM 561 CD LYS B 37 4.871 -8.483 -4.259 1.00 0.00 C ATOM 562 CE LYS B 37 4.366 -9.608 -5.146 1.00 0.00 C ATOM 563 NZ LYS B 37 4.079 -9.139 -6.521 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.928 -7.147 -1.012 1.00 0.00 H new ATOM 0 HA LYS B 37 2.246 -8.065 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.783 -9.699 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.241 -10.168 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.395 -8.100 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.684 -9.749 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS B 37 4.195 -7.631 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.845 -8.148 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS B 37 5.110 -10.404 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS B 37 3.462 -10.035 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 4.135 -9.941 -7.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 3.124 -8.729 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 4.776 -8.417 -6.794 1.00 0.00 H new ATOM 577 N ALA B 38 0.424 -9.251 -1.820 1.00 0.00 N ATOM 578 CA ALA B 38 -0.777 -9.461 -1.030 1.00 0.00 C ATOM 579 C ALA B 38 -1.750 -10.439 -1.663 1.00 0.00 C ATOM 580 O ALA B 38 -1.753 -10.644 -2.877 1.00 0.00 O ATOM 581 CB ALA B 38 -1.475 -8.130 -0.808 1.00 0.00 C ATOM 0 H ALA B 38 0.408 -9.656 -2.756 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.459 -9.898 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.376 -8.286 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.806 -7.452 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -1.745 -7.695 -1.771 1.00 0.00 H new ATOM 587 N THR B 39 -2.567 -11.042 -0.812 1.00 0.00 N ATOM 588 CA THR B 39 -3.707 -11.819 -1.239 1.00 0.00 C ATOM 589 C THR B 39 -4.949 -11.239 -0.584 1.00 0.00 C ATOM 590 O THR B 39 -4.901 -10.843 0.582 1.00 0.00 O ATOM 591 CB THR B 39 -3.559 -13.297 -0.850 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.088 -13.408 0.502 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.604 -14.018 -1.789 1.00 0.00 C ATOM 0 H THR B 39 -2.451 -11.002 0.201 1.00 0.00 H new ATOM 0 HA THR B 39 -3.783 -11.772 -2.325 1.00 0.00 H new ATOM 0 HB THR B 39 -4.540 -13.766 -0.931 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.999 -14.354 0.741 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.519 -15.063 -1.489 1.00 0.00 H new ATOM 0 HG22 THR B 39 -2.985 -13.963 -2.809 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.623 -13.546 -1.743 1.00 0.00 H new ATOM 601 N SER B 40 -6.051 -11.166 -1.308 1.00 0.00 N ATOM 602 CA SER B 40 -7.212 -10.470 -0.785 1.00 0.00 C ATOM 603 C SER B 40 -8.523 -11.155 -1.149 1.00 0.00 C ATOM 604 O SER B 40 -8.631 -11.855 -2.157 1.00 0.00 O ATOM 605 CB SER B 40 -7.221 -9.017 -1.270 1.00 0.00 C ATOM 606 OG SER B 40 -8.278 -8.282 -0.670 1.00 0.00 O ATOM 0 H SER B 40 -6.167 -11.569 -2.238 1.00 0.00 H new ATOM 0 HA SER B 40 -7.133 -10.493 0.302 1.00 0.00 H new ATOM 0 HB2 SER B 40 -6.267 -8.546 -1.033 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.328 -8.993 -2.354 1.00 0.00 H new ATOM 0 HG SER B 40 -8.448 -8.629 0.231 1.00 0.00 H new ATOM 612 N SER B 41 -9.512 -10.936 -0.296 1.00 0.00 N ATOM 613 CA SER B 41 -10.856 -11.439 -0.491 1.00 0.00 C ATOM 614 C SER B 41 -11.861 -10.329 -0.239 1.00 0.00 C ATOM 615 O SER B 41 -11.523 -9.280 0.316 1.00 0.00 O ATOM 616 CB SER B 41 -11.119 -12.606 0.445 1.00 0.00 C ATOM 617 OG SER B 41 -10.063 -13.550 0.392 1.00 0.00 O ATOM 0 H SER B 41 -9.398 -10.396 0.562 1.00 0.00 H new ATOM 0 HA SER B 41 -10.960 -11.787 -1.519 1.00 0.00 H new ATOM 0 HB2 SER B 41 -11.233 -12.240 1.465 1.00 0.00 H new ATOM 0 HB3 SER B 41 -12.057 -13.090 0.174 1.00 0.00 H new ATOM 0 HG SER B 41 -10.415 -14.445 0.581 1.00 0.00 H new ATOM 623 N ASN B 42 -13.098 -10.581 -0.609 1.00 0.00 N ATOM 624 CA ASN B 42 -14.117 -9.549 -0.616 1.00 0.00 C ATOM 625 C ASN B 42 -15.152 -9.837 0.454 1.00 0.00 C ATOM 626 O ASN B 42 -16.342 -9.585 0.280 1.00 0.00 O ATOM 627 CB ASN B 42 -14.779 -9.457 -1.995 1.00 0.00 C ATOM 628 CG ASN B 42 -13.777 -9.192 -3.106 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.245 -10.120 -3.718 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.499 -7.926 -3.367 1.00 0.00 N ATOM 0 H ASN B 42 -13.426 -11.498 -0.911 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.647 -8.589 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.309 -10.387 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.524 -8.661 -1.984 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.825 -7.692 -4.095 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.959 -7.184 -2.840 1.00 0.00 H new ATOM 637 N ALA B 43 -14.669 -10.361 1.568 1.00 0.00 N ATOM 638 CA ALA B 43 -15.526 -10.770 2.687 1.00 0.00 C ATOM 639 C ALA B 43 -16.074 -9.586 3.500 1.00 0.00 C ATOM 640 O ALA B 43 -16.444 -9.749 4.666 1.00 0.00 O ATOM 641 CB ALA B 43 -14.766 -11.720 3.600 1.00 0.00 C ATOM 0 H ALA B 43 -13.674 -10.518 1.730 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.389 -11.274 2.252 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -15.408 -12.020 4.429 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -14.465 -12.603 3.037 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.880 -11.219 3.990 1.00 0.00 H new ATOM 647 N GLY B 44 -16.124 -8.403 2.900 1.00 0.00 N ATOM 648 CA GLY B 44 -16.661 -7.245 3.596 1.00 0.00 C ATOM 649 C GLY B 44 -16.143 -5.939 3.034 1.00 0.00 C ATOM 650 O GLY B 44 -16.909 -5.000 2.829 1.00 0.00 O ATOM 0 H GLY B 44 -15.804 -8.223 1.948 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.749 -7.259 3.531 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.404 -7.309 4.653 1.00 0.00 H new ATOM 654 N TYR B 45 -14.838 -5.907 2.778 1.00 0.00 N ATOM 655 CA TYR B 45 -14.132 -4.741 2.235 1.00 0.00 C ATOM 656 C TYR B 45 -14.485 -3.423 2.949 1.00 0.00 C ATOM 657 O TYR B 45 -14.785 -3.426 4.141 1.00 0.00 O ATOM 658 CB TYR B 45 -14.275 -4.654 0.707 1.00 0.00 C ATOM 659 CG TYR B 45 -15.693 -4.598 0.158 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.383 -3.394 0.063 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.328 -5.750 -0.291 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.661 -3.339 -0.458 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.608 -5.705 -0.810 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.269 -4.498 -0.893 1.00 0.00 C ATOM 665 OH TYR B 45 -19.544 -4.451 -1.413 1.00 0.00 O ATOM 0 H TYR B 45 -14.225 -6.705 2.944 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.074 -4.896 2.446 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.742 -3.767 0.365 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -13.773 -5.517 0.268 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.910 -2.485 0.403 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -15.812 -6.697 -0.233 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.181 -2.395 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.088 -6.611 -1.149 1.00 0.00 H new ATOM 0 HH TYR B 45 -19.825 -5.353 -1.673 1.00 0.00 H new ATOM 675 N GLY B 46 -14.379 -2.297 2.247 1.00 0.00 N ATOM 676 CA GLY B 46 -14.557 -1.010 2.879 1.00 0.00 C ATOM 677 C GLY B 46 -16.013 -0.611 3.037 1.00 0.00 C ATOM 678 O GLY B 46 -16.649 -0.157 2.088 1.00 0.00 O ATOM 0 H GLY B 46 -14.172 -2.258 1.249 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -14.084 -1.028 3.861 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.042 -0.251 2.291 1.00 0.00 H new ATOM 682 N ILE B 47 -16.545 -0.805 4.236 1.00 0.00 N ATOM 683 CA ILE B 47 -17.883 -0.325 4.570 1.00 0.00 C ATOM 684 C ILE B 47 -17.775 0.778 5.602 1.00 0.00 C ATOM 685 O ILE B 47 -18.304 1.876 5.428 1.00 0.00 O ATOM 686 CB ILE B 47 -18.798 -1.417 5.165 1.00 0.00 C ATOM 687 CG1 ILE B 47 -18.337 -2.822 4.788 1.00 0.00 C ATOM 688 CG2 ILE B 47 -20.227 -1.196 4.711 1.00 0.00 C ATOM 689 CD1 ILE B 47 -17.321 -3.404 5.746 1.00 0.00 C ATOM 0 H ILE B 47 -16.071 -1.292 4.996 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.324 0.018 3.634 1.00 0.00 H new ATOM 0 HB ILE B 47 -18.742 -1.338 6.251 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -19.204 -3.481 4.747 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.907 -2.798 3.787 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.867 -1.970 5.134 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -20.569 -0.218 5.049 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -20.274 -1.241 3.623 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -17.040 -4.404 5.415 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.437 -2.767 5.770 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -17.754 -3.461 6.745 1.00 0.00 H new ATOM 701 N SER B 48 -17.096 0.438 6.692 1.00 0.00 N ATOM 702 CA SER B 48 -16.792 1.366 7.775 1.00 0.00 C ATOM 703 C SER B 48 -16.344 2.723 7.252 1.00 0.00 C ATOM 704 O SER B 48 -16.916 3.760 7.586 1.00 0.00 O ATOM 705 CB SER B 48 -15.693 0.762 8.635 1.00 0.00 C ATOM 706 OG SER B 48 -16.102 -0.485 9.170 1.00 0.00 O ATOM 0 H SER B 48 -16.736 -0.503 6.850 1.00 0.00 H new ATOM 0 HA SER B 48 -17.699 1.525 8.359 1.00 0.00 H new ATOM 0 HB2 SER B 48 -14.790 0.629 8.039 1.00 0.00 H new ATOM 0 HB3 SER B 48 -15.442 1.446 9.446 1.00 0.00 H new ATOM 0 HG SER B 48 -15.381 -0.858 9.719 1.00 0.00 H new ATOM 712 N TYR B 49 -15.319 2.698 6.433 1.00 0.00 N ATOM 713 CA TYR B 49 -14.769 3.910 5.861 1.00 0.00 C ATOM 714 C TYR B 49 -15.628 4.370 4.698 1.00 0.00 C ATOM 715 O TYR B 49 -15.831 3.626 3.738 1.00 0.00 O ATOM 716 CB TYR B 49 -13.344 3.665 5.374 1.00 0.00 C ATOM 717 CG TYR B 49 -12.509 2.850 6.328 1.00 0.00 C ATOM 718 CD1 TYR B 49 -12.468 3.153 7.682 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.770 1.768 5.873 1.00 0.00 C ATOM 720 CE1 TYR B 49 -11.711 2.402 8.554 1.00 0.00 C ATOM 721 CE2 TYR B 49 -11.009 1.013 6.738 1.00 0.00 C ATOM 722 CZ TYR B 49 -10.984 1.332 8.077 1.00 0.00 C ATOM 723 OH TYR B 49 -10.222 0.583 8.939 1.00 0.00 O ATOM 0 H TYR B 49 -14.843 1.843 6.144 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.756 4.682 6.630 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.381 3.155 4.411 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.856 4.625 5.208 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -13.038 3.990 8.057 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -11.792 1.513 4.824 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -11.687 2.650 9.605 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.435 0.176 6.368 1.00 0.00 H new ATOM 0 HH TYR B 49 -10.631 0.592 9.829 1.00 0.00 H new ATOM 733 N GLU B 50 -16.148 5.584 4.803 1.00 0.00 N ATOM 734 CA GLU B 50 -16.916 6.179 3.728 1.00 0.00 C ATOM 735 C GLU B 50 -16.039 6.428 2.511 1.00 0.00 C ATOM 736 O GLU B 50 -15.978 5.611 1.597 1.00 0.00 O ATOM 737 CB GLU B 50 -17.534 7.491 4.194 1.00 0.00 C ATOM 738 CG GLU B 50 -18.476 7.322 5.362 1.00 0.00 C ATOM 739 CD GLU B 50 -19.785 6.683 4.954 1.00 0.00 C ATOM 740 OE1 GLU B 50 -20.486 7.258 4.094 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -20.114 5.599 5.477 1.00 0.00 O ATOM 0 H GLU B 50 -16.049 6.176 5.628 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.708 5.485 3.448 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.738 8.181 4.474 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -18.073 7.947 3.363 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -17.998 6.710 6.126 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -18.673 8.295 5.811 1.00 0.00 H new ATOM 748 N ASP B 51 -15.342 7.551 2.513 1.00 0.00 N ATOM 749 CA ASP B 51 -14.521 7.929 1.371 1.00 0.00 C ATOM 750 C ASP B 51 -13.283 8.682 1.831 1.00 0.00 C ATOM 751 O ASP B 51 -13.378 9.795 2.347 1.00 0.00 O ATOM 752 CB ASP B 51 -15.305 8.812 0.389 1.00 0.00 C ATOM 753 CG ASP B 51 -16.628 8.212 -0.055 1.00 0.00 C ATOM 754 OD1 ASP B 51 -16.647 7.441 -1.038 1.00 0.00 O ATOM 755 OD2 ASP B 51 -17.665 8.514 0.575 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.326 8.215 3.287 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.226 7.010 0.864 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.494 9.779 0.856 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -14.688 8.998 -0.490 1.00 0.00 H new ATOM 760 N LYS B 52 -12.127 8.063 1.657 1.00 0.00 N ATOM 761 CA LYS B 52 -10.850 8.708 1.935 1.00 0.00 C ATOM 762 C LYS B 52 -9.873 8.324 0.837 1.00 0.00 C ATOM 763 O LYS B 52 -9.831 7.164 0.434 1.00 0.00 O ATOM 764 CB LYS B 52 -10.282 8.269 3.289 1.00 0.00 C ATOM 765 CG LYS B 52 -11.271 8.332 4.443 1.00 0.00 C ATOM 766 CD LYS B 52 -10.635 7.848 5.735 1.00 0.00 C ATOM 767 CE LYS B 52 -11.668 7.661 6.833 1.00 0.00 C ATOM 768 NZ LYS B 52 -11.047 7.211 8.108 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.045 7.104 1.321 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.001 9.787 1.968 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.914 7.247 3.199 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.424 8.897 3.529 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.623 9.356 4.569 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.143 7.721 4.212 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.119 6.905 5.556 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.882 8.566 6.062 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.196 8.600 6.998 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -12.410 6.930 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -11.785 7.095 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -10.564 6.302 7.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -10.357 7.921 8.428 1.00 0.00 H new ATOM 782 N ASN B 53 -9.110 9.282 0.335 1.00 0.00 N ATOM 783 CA ASN B 53 -8.169 8.997 -0.731 1.00 0.00 C ATOM 784 C ASN B 53 -6.757 9.431 -0.373 1.00 0.00 C ATOM 785 O ASN B 53 -6.517 10.569 0.038 1.00 0.00 O ATOM 786 CB ASN B 53 -8.608 9.666 -2.034 1.00 0.00 C ATOM 787 CG ASN B 53 -8.820 11.165 -1.906 1.00 0.00 C ATOM 788 OD1 ASN B 53 -7.903 11.955 -2.118 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.032 11.568 -1.564 1.00 0.00 N ATOM 0 H ASN B 53 -9.124 10.253 0.646 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.161 7.916 -0.870 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.856 9.478 -2.801 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.534 9.204 -2.376 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -10.230 12.564 -1.468 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.769 10.883 -1.396 1.00 0.00 H new ATOM 796 N TRP B 54 -5.829 8.506 -0.522 1.00 0.00 N ATOM 797 CA TRP B 54 -4.423 8.789 -0.346 1.00 0.00 C ATOM 798 C TRP B 54 -3.609 7.904 -1.288 1.00 0.00 C ATOM 799 O TRP B 54 -4.178 7.086 -2.015 1.00 0.00 O ATOM 800 CB TRP B 54 -4.009 8.610 1.116 1.00 0.00 C ATOM 801 CG TRP B 54 -4.142 7.226 1.657 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.292 6.590 2.027 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.071 6.321 1.927 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.004 5.332 2.496 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.642 5.144 2.446 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.679 6.392 1.769 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.868 4.046 2.815 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.919 5.299 2.135 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.514 4.141 2.651 1.00 0.00 C ATOM 0 H TRP B 54 -6.031 7.537 -0.769 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.225 9.831 -0.599 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -2.971 8.925 1.222 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.610 9.281 1.730 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.283 7.014 1.961 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.687 4.650 2.827 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.213 7.281 1.370 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.321 3.152 3.216 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.154 5.338 2.021 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.889 3.304 2.926 1.00 0.00 H new ATOM 820 N GLY B 55 -2.296 8.073 -1.301 1.00 0.00 N ATOM 821 CA GLY B 55 -1.482 7.352 -2.256 1.00 0.00 C ATOM 822 C GLY B 55 -0.180 6.857 -1.667 1.00 0.00 C ATOM 823 O GLY B 55 0.354 7.457 -0.733 1.00 0.00 O ATOM 0 H GLY B 55 -1.783 8.691 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.047 6.503 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.267 8.001 -3.105 1.00 0.00 H new ATOM 827 N ILE B 56 0.323 5.755 -2.207 1.00 0.00 N ATOM 828 CA ILE B 56 1.625 5.236 -1.815 1.00 0.00 C ATOM 829 C ILE B 56 2.622 5.411 -2.954 1.00 0.00 C ATOM 830 O ILE B 56 2.267 5.249 -4.127 1.00 0.00 O ATOM 831 CB ILE B 56 1.539 3.748 -1.444 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.391 3.520 -0.466 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.850 3.276 -0.830 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.070 2.089 -0.412 1.00 0.00 C ATOM 0 H ILE B 56 -0.153 5.202 -2.920 1.00 0.00 H new ATOM 0 HA ILE B 56 1.959 5.796 -0.942 1.00 0.00 H new ATOM 0 HB ILE B 56 1.353 3.173 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.705 3.831 0.530 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.449 4.155 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.772 2.220 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.659 3.416 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.059 3.854 0.070 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.888 1.997 0.303 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.414 1.780 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.758 1.452 -0.100 1.00 0.00 H new ATOM 846 N PHE B 57 3.858 5.750 -2.609 1.00 0.00 N ATOM 847 CA PHE B 57 4.868 6.082 -3.608 1.00 0.00 C ATOM 848 C PHE B 57 6.125 5.232 -3.447 1.00 0.00 C ATOM 849 O PHE B 57 6.564 4.977 -2.325 1.00 0.00 O ATOM 850 CB PHE B 57 5.168 7.579 -3.500 1.00 0.00 C ATOM 851 CG PHE B 57 3.894 8.372 -3.587 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.370 8.706 -4.820 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.180 8.707 -2.449 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.166 9.368 -4.923 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.966 9.356 -2.546 1.00 0.00 C ATOM 856 CZ PHE B 57 1.459 9.687 -3.784 1.00 0.00 C ATOM 0 H PHE B 57 4.186 5.802 -1.645 1.00 0.00 H new ATOM 0 HA PHE B 57 4.489 5.858 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.672 7.789 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.847 7.880 -4.298 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.912 8.445 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.577 8.458 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.777 9.636 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.413 9.604 -1.652 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.509 10.195 -3.861 1.00 0.00 H new ATOM 866 N VAL B 58 6.700 4.788 -4.577 1.00 0.00 N ATOM 867 CA VAL B 58 7.889 3.965 -4.540 1.00 0.00 C ATOM 868 C VAL B 58 8.966 4.585 -5.412 1.00 0.00 C ATOM 869 O VAL B 58 8.688 5.071 -6.506 1.00 0.00 O ATOM 870 CB VAL B 58 7.617 2.519 -4.997 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.313 2.457 -6.483 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.793 1.626 -4.655 1.00 0.00 C ATOM 0 H VAL B 58 6.353 4.991 -5.514 1.00 0.00 H new ATOM 0 HA VAL B 58 8.223 3.920 -3.503 1.00 0.00 H new ATOM 0 HB VAL B 58 6.738 2.158 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.126 1.423 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.431 3.060 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.163 2.843 -7.045 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.585 0.608 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.688 1.994 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.954 1.633 -3.577 1.00 0.00 H new ATOM 882 N ASN B 59 10.192 4.583 -4.905 1.00 0.00 N ATOM 883 CA ASN B 59 11.333 5.225 -5.558 1.00 0.00 C ATOM 884 C ASN B 59 11.105 6.722 -5.657 1.00 0.00 C ATOM 885 O ASN B 59 11.896 7.446 -6.259 1.00 0.00 O ATOM 886 CB ASN B 59 11.595 4.660 -6.959 1.00 0.00 C ATOM 887 CG ASN B 59 11.383 3.167 -7.055 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.244 2.366 -6.687 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.235 2.792 -7.587 1.00 0.00 N ATOM 0 H ASN B 59 10.428 4.132 -4.021 1.00 0.00 H new ATOM 0 HA ASN B 59 12.209 5.018 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.939 5.159 -7.672 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.619 4.893 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.029 1.800 -7.709 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.554 3.494 -7.876 1.00 0.00 H new ATOM 896 N GLY B 60 10.027 7.181 -5.045 1.00 0.00 N ATOM 897 CA GLY B 60 9.660 8.560 -5.147 1.00 0.00 C ATOM 898 C GLY B 60 8.538 8.776 -6.147 1.00 0.00 C ATOM 899 O GLY B 60 8.013 9.879 -6.291 1.00 0.00 O ATOM 0 H GLY B 60 9.400 6.611 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.349 8.926 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.530 9.146 -5.445 1.00 0.00 H new ATOM 903 N GLU B 61 8.175 7.699 -6.824 1.00 0.00 N ATOM 904 CA GLU B 61 7.104 7.688 -7.796 1.00 0.00 C ATOM 905 C GLU B 61 5.903 7.113 -7.128 1.00 0.00 C ATOM 906 O GLU B 61 6.003 6.666 -6.026 1.00 0.00 O ATOM 907 CB GLU B 61 7.477 6.814 -8.985 1.00 0.00 C ATOM 908 CG GLU B 61 8.252 7.538 -10.071 1.00 0.00 C ATOM 909 CD GLU B 61 8.444 6.690 -11.313 1.00 0.00 C ATOM 910 OE1 GLU B 61 9.260 5.748 -11.281 1.00 0.00 O ATOM 911 OE2 GLU B 61 7.782 6.968 -12.333 1.00 0.00 O1- ATOM 0 H GLU B 61 8.628 6.792 -6.708 1.00 0.00 H new ATOM 0 HA GLU B 61 6.914 8.699 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.071 5.972 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.566 6.401 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.726 8.454 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.227 7.832 -9.682 1.00 0.00 H new ATOM 918 N LYS B 62 4.785 7.105 -7.778 1.00 0.00 N ATOM 919 CA LYS B 62 3.607 6.506 -7.200 1.00 0.00 C ATOM 920 C LYS B 62 3.657 4.992 -7.392 1.00 0.00 C ATOM 921 O LYS B 62 4.608 4.478 -7.982 1.00 0.00 O ATOM 922 CB LYS B 62 2.384 7.153 -7.835 1.00 0.00 C ATOM 923 CG LYS B 62 1.070 6.803 -7.171 1.00 0.00 C ATOM 924 CD LYS B 62 0.009 7.823 -7.518 1.00 0.00 C ATOM 925 CE LYS B 62 -0.740 8.290 -6.289 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.933 9.096 -6.653 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.654 7.503 -8.708 1.00 0.00 H new ATOM 0 HA LYS B 62 3.555 6.678 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.510 8.236 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.336 6.858 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.748 5.812 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.202 6.762 -6.090 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.473 8.679 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.694 7.390 -8.230 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -1.049 7.427 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.076 8.884 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -2.515 9.257 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -1.628 10.011 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -2.493 8.585 -7.366 1.00 0.00 H new ATOM 940 N VAL B 63 2.748 4.285 -6.736 1.00 0.00 N ATOM 941 CA VAL B 63 2.460 2.885 -7.052 1.00 0.00 C ATOM 942 C VAL B 63 1.052 2.527 -6.652 1.00 0.00 C ATOM 943 O VAL B 63 0.600 1.413 -6.893 1.00 0.00 O ATOM 944 CB VAL B 63 3.393 1.870 -6.365 1.00 0.00 C ATOM 945 CG1 VAL B 63 4.417 1.338 -7.350 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.058 2.467 -5.133 1.00 0.00 C ATOM 0 H VAL B 63 2.188 4.661 -5.971 1.00 0.00 H new ATOM 0 HA VAL B 63 2.613 2.815 -8.129 1.00 0.00 H new ATOM 0 HB VAL B 63 2.787 1.031 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL B 63 5.068 0.622 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.905 0.845 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL B 63 5.015 2.164 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.709 1.723 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL B 63 4.649 3.336 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL B 63 3.293 2.771 -4.418 1.00 0.00 H new ATOM 956 N TYR B 64 0.350 3.467 -6.044 1.00 0.00 N ATOM 957 CA TYR B 64 -0.945 3.147 -5.486 1.00 0.00 C ATOM 958 C TYR B 64 -1.800 4.388 -5.323 1.00 0.00 C ATOM 959 O TYR B 64 -1.364 5.405 -4.782 1.00 0.00 O ATOM 960 CB TYR B 64 -0.748 2.482 -4.131 1.00 0.00 C ATOM 961 CG TYR B 64 -1.599 1.255 -3.886 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.868 1.129 -4.431 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.122 0.220 -3.091 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.637 0.006 -4.187 1.00 0.00 C ATOM 965 CE2 TYR B 64 -1.887 -0.900 -2.842 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.142 -1.002 -3.391 1.00 0.00 C ATOM 967 OH TYR B 64 -3.909 -2.113 -3.137 1.00 0.00 O ATOM 0 H TYR B 64 0.648 4.435 -5.927 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.460 2.473 -6.170 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.301 2.203 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.960 3.213 -3.351 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.261 1.919 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.134 0.294 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.623 -0.080 -4.620 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.501 -1.693 -2.218 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.530 -2.606 -2.380 1.00 0.00 H new ATOM 977 N THR B 65 -3.015 4.273 -5.809 1.00 0.00 N ATOM 978 CA THR B 65 -4.022 5.312 -5.686 1.00 0.00 C ATOM 979 C THR B 65 -5.347 4.658 -5.338 1.00 0.00 C ATOM 980 O THR B 65 -5.784 3.748 -6.042 1.00 0.00 O ATOM 981 CB THR B 65 -4.188 6.101 -7.000 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.915 6.554 -7.468 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.110 7.295 -6.806 1.00 0.00 C ATOM 0 H THR B 65 -3.340 3.445 -6.308 1.00 0.00 H new ATOM 0 HA THR B 65 -3.707 6.009 -4.909 1.00 0.00 H new ATOM 0 HB THR B 65 -4.631 5.433 -7.739 1.00 0.00 H new ATOM 0 HG1 THR B 65 -3.008 6.911 -8.376 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.210 7.834 -7.748 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.091 6.948 -6.481 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.691 7.959 -6.050 1.00 0.00 H new ATOM 991 N PHE B 66 -5.986 5.090 -4.262 1.00 0.00 N ATOM 992 CA PHE B 66 -7.192 4.440 -3.826 1.00 0.00 C ATOM 993 C PHE B 66 -8.026 5.291 -2.904 1.00 0.00 C ATOM 994 O PHE B 66 -7.550 6.204 -2.229 1.00 0.00 O ATOM 995 CB PHE B 66 -6.896 3.109 -3.134 1.00 0.00 C ATOM 996 CG PHE B 66 -5.716 3.083 -2.212 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.348 4.159 -1.422 1.00 0.00 C ATOM 998 CD2 PHE B 66 -4.982 1.931 -2.141 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.254 4.068 -0.584 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -3.890 1.828 -1.312 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.523 2.898 -0.529 1.00 0.00 C ATOM 0 H PHE B 66 -5.688 5.878 -3.687 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.765 4.265 -4.737 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.779 2.816 -2.566 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.745 2.351 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -5.920 5.074 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.266 1.085 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.970 4.912 0.028 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.322 0.910 -1.276 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.667 2.823 0.126 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.290 4.971 -2.941 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.256 5.419 -1.964 1.00 0.00 C ATOM 1013 C ASN B 67 -10.628 4.224 -1.096 1.00 0.00 C ATOM 1014 O ASN B 67 -10.568 3.080 -1.552 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.502 5.962 -2.662 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.439 6.678 -1.712 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -13.272 6.058 -1.051 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.316 7.992 -1.655 1.00 0.00 N ATOM 0 H ASN B 67 -9.691 4.377 -3.667 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.833 6.218 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.200 6.648 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.034 5.139 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.926 8.535 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.611 8.463 -2.221 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.014 4.488 0.143 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.317 3.428 1.099 1.00 0.00 C ATOM 1027 C GLU B 68 -12.529 2.597 0.655 1.00 0.00 C ATOM 1028 O GLU B 68 -12.669 1.438 1.044 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.563 4.037 2.476 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.373 4.815 3.029 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.241 3.926 3.513 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -9.312 3.448 4.666 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -8.278 3.695 2.754 1.00 0.00 O ATOM 0 H GLU B 68 -11.126 5.432 0.514 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.461 2.755 1.147 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.425 4.702 2.420 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.820 3.240 3.174 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.995 5.483 2.255 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.711 5.442 3.854 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.392 3.198 -0.164 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.565 2.515 -0.708 1.00 0.00 C ATOM 1042 C LYS B 69 -14.194 1.688 -1.938 1.00 0.00 C ATOM 1043 O LYS B 69 -14.860 0.706 -2.267 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.644 3.532 -1.085 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.870 2.906 -1.739 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.854 3.953 -2.244 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.756 4.490 -1.141 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.018 5.277 -0.122 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.298 4.167 -0.468 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.950 1.846 0.062 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.955 4.069 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.216 4.268 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.554 2.277 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.371 2.257 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.302 4.780 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -18.469 3.518 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.531 5.116 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -19.260 3.656 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -18.675 5.923 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -17.593 4.632 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -17.268 5.828 -0.586 1.00 0.00 H new ATOM 1062 N SER B 70 -13.133 2.095 -2.621 1.00 0.00 N ATOM 1063 CA SER B 70 -12.636 1.350 -3.770 1.00 0.00 C ATOM 1064 C SER B 70 -12.020 0.034 -3.302 1.00 0.00 C ATOM 1065 O SER B 70 -11.931 -0.923 -4.071 1.00 0.00 O ATOM 1066 CB SER B 70 -11.621 2.196 -4.547 1.00 0.00 C ATOM 1067 OG SER B 70 -10.820 1.400 -5.404 1.00 0.00 O ATOM 0 H SER B 70 -12.600 2.936 -2.400 1.00 0.00 H new ATOM 0 HA SER B 70 -13.463 1.120 -4.442 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.148 2.947 -5.136 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.982 2.732 -3.846 1.00 0.00 H new ATOM 0 HG SER B 70 -10.186 1.972 -5.884 1.00 0.00 H new ATOM 1073 N THR B 71 -11.625 0.007 -2.026 1.00 0.00 N ATOM 1074 CA THR B 71 -11.147 -1.184 -1.340 1.00 0.00 C ATOM 1075 C THR B 71 -9.900 -1.780 -1.998 1.00 0.00 C ATOM 1076 O THR B 71 -9.935 -2.274 -3.127 1.00 0.00 O ATOM 1077 CB THR B 71 -12.258 -2.240 -1.210 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.478 -2.926 -2.447 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.554 -1.587 -0.767 1.00 0.00 C ATOM 0 H THR B 71 -11.631 0.836 -1.432 1.00 0.00 H new ATOM 0 HA THR B 71 -10.857 -0.868 -0.338 1.00 0.00 H new ATOM 0 HB THR B 71 -11.933 -2.965 -0.463 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.986 -2.474 -3.164 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.332 -2.345 -0.679 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.407 -1.104 0.199 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.856 -0.841 -1.503 1.00 0.00 H new ATOM 1087 N VAL B 72 -8.799 -1.761 -1.256 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.494 -2.142 -1.789 1.00 0.00 C ATOM 1089 C VAL B 72 -7.450 -3.592 -2.268 1.00 0.00 C ATOM 1090 O VAL B 72 -6.503 -3.988 -2.929 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.378 -1.930 -0.749 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.439 -0.525 -0.180 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.467 -2.968 0.358 1.00 0.00 C ATOM 0 H VAL B 72 -8.784 -1.483 -0.275 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.328 -1.491 -2.648 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.417 -2.053 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -5.643 -0.394 0.553 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.314 0.199 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.404 -0.369 0.301 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -5.669 -2.798 1.081 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.432 -2.886 0.857 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.364 -3.965 -0.069 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.468 -4.375 -1.936 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.500 -5.760 -2.361 1.00 0.00 C ATOM 1105 C GLY B 73 -8.492 -5.896 -3.871 1.00 0.00 C ATOM 1106 O GLY B 73 -7.649 -6.594 -4.440 1.00 0.00 O ATOM 0 H GLY B 73 -9.270 -4.076 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.640 -6.286 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.392 -6.241 -1.959 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.417 -5.203 -4.521 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.532 -5.250 -5.973 1.00 0.00 C ATOM 1112 C ASN B 74 -8.377 -4.499 -6.616 1.00 0.00 C ATOM 1113 O ASN B 74 -7.892 -4.858 -7.694 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.859 -4.633 -6.425 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.061 -5.323 -5.843 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.063 -6.532 -5.612 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.093 -4.544 -5.591 1.00 0.00 N ATOM 0 H ASN B 74 -10.101 -4.600 -4.064 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.501 -6.294 -6.286 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.879 -3.581 -6.141 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.918 -4.670 -7.513 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.942 -4.938 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.043 -3.547 -5.800 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.930 -3.461 -5.931 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.892 -2.591 -6.455 1.00 0.00 C ATOM 1126 C ILE B 75 -5.540 -3.287 -6.416 1.00 0.00 C ATOM 1127 O ILE B 75 -4.813 -3.292 -7.401 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.788 -1.285 -5.651 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.162 -0.852 -5.147 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.170 -0.191 -6.510 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.111 0.376 -4.289 1.00 0.00 C ATOM 0 H ILE B 75 -8.272 -3.199 -5.006 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.165 -2.357 -7.484 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.147 -1.459 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.814 -0.665 -6.001 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.608 -1.668 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.101 0.730 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.173 -0.497 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.793 -0.022 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.118 0.633 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.484 0.185 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.693 1.203 -4.863 1.00 0.00 H new ATOM 1143 N SER B 76 -5.225 -3.874 -5.264 1.00 0.00 N ATOM 1144 CA SER B 76 -3.951 -4.570 -5.050 1.00 0.00 C ATOM 1145 C SER B 76 -3.677 -5.575 -6.163 1.00 0.00 C ATOM 1146 O SER B 76 -2.531 -5.750 -6.579 1.00 0.00 O ATOM 1147 CB SER B 76 -3.947 -5.284 -3.692 1.00 0.00 C ATOM 1148 OG SER B 76 -2.665 -5.808 -3.383 1.00 0.00 O ATOM 0 H SER B 76 -5.842 -3.883 -4.452 1.00 0.00 H new ATOM 0 HA SER B 76 -3.160 -3.820 -5.061 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.254 -4.587 -2.912 1.00 0.00 H new ATOM 0 HB3 SER B 76 -4.678 -6.092 -3.703 1.00 0.00 H new ATOM 0 HG SER B 76 -2.475 -5.668 -2.432 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.735 -6.226 -6.639 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.635 -7.140 -7.773 1.00 0.00 C ATOM 1156 C ASN B 77 -3.929 -6.453 -8.923 1.00 0.00 C ATOM 1157 O ASN B 77 -2.911 -6.923 -9.435 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.024 -7.540 -8.235 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.060 -8.914 -8.878 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.098 -9.342 -9.513 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.170 -9.617 -8.712 1.00 0.00 N ATOM 0 H ASN B 77 -5.676 -6.137 -6.255 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.075 -8.022 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.703 -7.526 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.391 -6.801 -8.948 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.249 -10.549 -9.118 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.946 -9.226 -8.178 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.488 -5.321 -9.301 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.954 -4.516 -10.396 1.00 0.00 C ATOM 1170 C ASP B 78 -2.623 -3.865 -10.032 1.00 0.00 C ATOM 1171 O ASP B 78 -1.720 -3.795 -10.851 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.960 -3.444 -10.808 1.00 0.00 C ATOM 1173 CG ASP B 78 -6.142 -4.029 -11.549 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.967 -4.475 -12.704 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -7.252 -4.057 -10.980 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.322 -4.929 -8.864 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.776 -5.190 -11.234 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.313 -2.918 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.465 -2.707 -11.440 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.503 -3.390 -8.806 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.281 -2.744 -8.342 1.00 0.00 C ATOM 1182 C ILE B 79 -0.071 -3.662 -8.466 1.00 0.00 C ATOM 1183 O ILE B 79 1.047 -3.217 -8.719 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.452 -2.277 -6.906 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.580 -1.269 -6.901 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.168 -1.676 -6.346 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.300 -0.005 -7.693 1.00 0.00 C ATOM 0 H ILE B 79 -3.242 -3.439 -8.105 1.00 0.00 H new ATOM 0 HA ILE B 79 -1.098 -1.880 -8.980 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.687 -3.123 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.475 -1.743 -7.303 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.800 -0.995 -5.869 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.335 -1.355 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.624 -2.424 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.126 -0.818 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.162 0.660 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.425 0.497 -7.279 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -2.111 -0.263 -8.735 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.315 -4.951 -8.332 1.00 0.00 N ATOM 1200 CA ASN B 80 0.748 -5.948 -8.425 1.00 0.00 C ATOM 1201 C ASN B 80 1.235 -6.158 -9.863 1.00 0.00 C ATOM 1202 O ASN B 80 2.104 -6.995 -10.108 1.00 0.00 O ATOM 1203 CB ASN B 80 0.290 -7.279 -7.826 1.00 0.00 C ATOM 1204 CG ASN B 80 0.599 -7.386 -6.345 1.00 0.00 C ATOM 1205 OD1 ASN B 80 1.658 -7.879 -5.956 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -0.319 -6.936 -5.506 1.00 0.00 N ATOM 0 H ASN B 80 -1.242 -5.339 -8.158 1.00 0.00 H new ATOM 0 HA ASN B 80 1.591 -5.563 -7.851 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.783 -7.393 -7.979 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.776 -8.098 -8.355 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -0.161 -6.991 -4.500 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -1.185 -6.534 -5.865 1.00 0.00 H new ATOM 1213 N LYS B 81 0.689 -5.401 -10.810 1.00 0.00 N ATOM 1214 CA LYS B 81 1.139 -5.478 -12.197 1.00 0.00 C ATOM 1215 C LYS B 81 1.897 -4.203 -12.571 1.00 0.00 C ATOM 1216 O LYS B 81 2.261 -3.993 -13.726 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.050 -5.704 -13.144 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.855 -4.459 -13.444 1.00 0.00 C ATOM 1219 CD LYS B 81 -2.179 -4.790 -14.111 1.00 0.00 C ATOM 1220 CE LYS B 81 -3.008 -3.536 -14.340 1.00 0.00 C ATOM 1221 NZ LYS B 81 -4.391 -3.853 -14.780 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.062 -4.731 -10.644 1.00 0.00 H new ATOM 0 HA LYS B 81 1.813 -6.328 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.322 -6.117 -14.082 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.711 -6.452 -12.706 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.041 -3.914 -12.518 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.277 -3.800 -14.091 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.995 -5.287 -15.064 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.737 -5.490 -13.489 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -3.045 -2.954 -13.419 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.523 -2.913 -15.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -4.889 -2.972 -15.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -4.356 -4.472 -15.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -4.898 -4.337 -14.011 1.00 0.00 H new ATOM 1235 N LEU B 82 2.149 -3.371 -11.567 1.00 0.00 N ATOM 1236 CA LEU B 82 2.781 -2.064 -11.760 1.00 0.00 C ATOM 1237 C LEU B 82 4.277 -2.193 -11.972 1.00 0.00 C ATOM 1238 O LEU B 82 4.955 -1.209 -12.280 1.00 0.00 O ATOM 1239 CB LEU B 82 2.550 -1.186 -10.528 1.00 0.00 C ATOM 1240 CG LEU B 82 1.331 -0.267 -10.557 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.618 0.964 -11.400 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.103 -0.991 -11.091 1.00 0.00 C ATOM 0 H LEU B 82 1.922 -3.580 -10.595 1.00 0.00 H new ATOM 0 HA LEU B 82 2.332 -1.615 -12.646 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.464 -1.837 -9.658 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.437 -0.570 -10.379 1.00 0.00 H new ATOM 0 HG LEU B 82 1.122 0.042 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.740 1.610 -11.412 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.462 1.507 -10.975 1.00 0.00 H new ATOM 0 HD13 LEU B 82 1.858 0.660 -12.419 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.747 -0.309 -11.099 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.298 -1.339 -12.105 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.123 -1.845 -10.452 1.00 0.00 H new ATOM 1254 N ASN B 83 4.775 -3.412 -11.809 1.00 0.00 N ATOM 1255 CA ASN B 83 6.203 -3.661 -11.710 1.00 0.00 C ATOM 1256 C ASN B 83 6.769 -2.823 -10.567 1.00 0.00 C ATOM 1257 O ASN B 83 7.544 -1.886 -10.770 1.00 0.00 O ATOM 1258 CB ASN B 83 6.906 -3.366 -13.037 1.00 0.00 C ATOM 1259 CG ASN B 83 8.381 -3.736 -13.026 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.246 -2.904 -12.743 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.677 -4.986 -13.343 1.00 0.00 N ATOM 0 H ASN B 83 4.200 -4.252 -11.742 1.00 0.00 H new ATOM 0 HA ASN B 83 6.379 -4.715 -11.495 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.406 -3.914 -13.836 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.805 -2.305 -13.267 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.650 -5.291 -13.359 1.00 0.00 H new ATOM 0 HD22 ASN B 83 7.932 -5.644 -13.571 1.00 0.00 H new ATOM 1268 N ILE B 84 6.323 -3.147 -9.360 1.00 0.00 N ATOM 1269 CA ILE B 84 6.700 -2.409 -8.170 1.00 0.00 C ATOM 1270 C ILE B 84 8.180 -2.599 -7.852 1.00 0.00 C ATOM 1271 O ILE B 84 8.764 -3.644 -8.139 1.00 0.00 O ATOM 1272 CB ILE B 84 5.844 -2.859 -6.975 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.379 -2.686 -7.328 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.177 -2.055 -5.723 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.448 -3.434 -6.408 1.00 0.00 C ATOM 0 H ILE B 84 5.691 -3.928 -9.183 1.00 0.00 H new ATOM 0 HA ILE B 84 6.525 -1.350 -8.359 1.00 0.00 H new ATOM 0 HB ILE B 84 6.058 -3.907 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.129 -1.625 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.217 -3.026 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.555 -2.396 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.228 -2.195 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.986 -0.998 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.417 -3.266 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.671 -4.500 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.582 -3.078 -5.387 1.00 0.00 H new ATOM 1287 N LYS B 85 8.769 -1.583 -7.254 1.00 0.00 N ATOM 1288 CA LYS B 85 10.196 -1.582 -6.940 1.00 0.00 C ATOM 1289 C LYS B 85 10.405 -1.203 -5.489 1.00 0.00 C ATOM 1290 O LYS B 85 9.496 -1.330 -4.670 1.00 0.00 O ATOM 1291 CB LYS B 85 10.953 -0.606 -7.839 1.00 0.00 C ATOM 1292 CG LYS B 85 10.700 -0.843 -9.305 1.00 0.00 C ATOM 1293 CD LYS B 85 11.369 0.204 -10.178 1.00 0.00 C ATOM 1294 CE LYS B 85 11.088 -0.040 -11.654 1.00 0.00 C ATOM 1295 NZ LYS B 85 11.654 -1.333 -12.126 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.280 -0.734 -6.970 1.00 0.00 H new ATOM 0 HA LYS B 85 10.584 -2.586 -7.115 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.663 0.414 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.021 -0.692 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.067 -1.832 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.626 -0.838 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.013 1.195 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.445 0.191 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS B 85 10.011 -0.033 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS B 85 11.509 0.776 -12.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.233 -1.170 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.246 -1.747 -11.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 10.879 -1.988 -12.356 1.00 0.00 H new ATOM 1309 N GLY B 86 11.606 -0.762 -5.171 1.00 0.00 N ATOM 1310 CA GLY B 86 11.902 -0.387 -3.801 1.00 0.00 C ATOM 1311 C GLY B 86 13.110 0.521 -3.645 1.00 0.00 C ATOM 1312 O GLY B 86 14.194 0.205 -4.138 1.00 0.00 O ATOM 0 H GLY B 86 12.380 -0.655 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.031 0.112 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.066 -1.292 -3.217 1.00 0.00 H new ATOM 1316 N MET B 87 12.907 1.656 -2.958 1.00 0.00 N ATOM 1317 CA MET B 87 14.005 2.523 -2.513 1.00 0.00 C ATOM 1318 C MET B 87 13.477 3.706 -1.681 1.00 0.00 C ATOM 1319 O MET B 87 13.953 3.937 -0.570 1.00 0.00 O ATOM 1320 CB MET B 87 14.869 3.036 -3.679 1.00 0.00 C ATOM 1321 CG MET B 87 14.171 4.033 -4.577 1.00 0.00 C ATOM 1322 SD MET B 87 15.252 4.737 -5.835 1.00 0.00 S ATOM 1323 CE MET B 87 15.719 3.265 -6.740 1.00 0.00 C ATOM 0 H MET B 87 11.981 1.996 -2.697 1.00 0.00 H new ATOM 0 HA MET B 87 14.645 1.905 -1.884 1.00 0.00 H new ATOM 0 HB2 MET B 87 15.769 3.498 -3.273 1.00 0.00 H new ATOM 0 HB3 MET B 87 15.190 2.185 -4.280 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.328 3.544 -5.065 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.763 4.838 -3.966 1.00 0.00 H new ATOM 0 HE1 MET B 87 16.129 3.549 -7.709 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.471 2.714 -6.175 1.00 0.00 H new ATOM 0 HE3 MET B 87 14.842 2.635 -6.887 1.00 0.00 H new ATOM 1333 N TYR B 88 12.494 4.457 -2.202 1.00 0.00 N ATOM 1334 CA TYR B 88 11.958 5.600 -1.483 1.00 0.00 C ATOM 1335 C TYR B 88 10.444 5.489 -1.390 1.00 0.00 C ATOM 1336 O TYR B 88 9.727 5.783 -2.344 1.00 0.00 O ATOM 1337 CB TYR B 88 12.362 6.899 -2.185 1.00 0.00 C ATOM 1338 CG TYR B 88 11.971 8.152 -1.435 1.00 0.00 C ATOM 1339 CD1 TYR B 88 12.818 8.706 -0.484 1.00 0.00 C ATOM 1340 CD2 TYR B 88 10.760 8.783 -1.681 1.00 0.00 C ATOM 1341 CE1 TYR B 88 12.469 9.856 0.196 1.00 0.00 C ATOM 1342 CE2 TYR B 88 10.404 9.932 -1.004 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.261 10.463 -0.067 1.00 0.00 C ATOM 1344 OH TYR B 88 10.911 11.611 0.608 1.00 0.00 O ATOM 0 H TYR B 88 12.064 4.287 -3.111 1.00 0.00 H new ATOM 0 HA TYR B 88 12.368 5.613 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.442 6.899 -2.333 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.905 6.923 -3.174 1.00 0.00 H new ATOM 0 HD1 TYR B 88 13.764 8.230 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR B 88 10.085 8.368 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR B 88 13.140 10.277 0.930 1.00 0.00 H new ATOM 0 HE2 TYR B 88 9.458 10.412 -1.208 1.00 0.00 H new ATOM 0 HH TYR B 88 10.029 11.913 0.305 1.00 0.00 H new ATOM 1354 N ILE B 89 9.978 5.022 -0.248 1.00 0.00 N ATOM 1355 CA ILE B 89 8.550 4.842 -0.007 1.00 0.00 C ATOM 1356 C ILE B 89 7.961 6.035 0.738 1.00 0.00 C ATOM 1357 O ILE B 89 8.568 6.540 1.681 1.00 0.00 O ATOM 1358 CB ILE B 89 8.285 3.561 0.817 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.972 2.364 0.167 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.788 3.306 0.960 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.517 2.117 -1.246 1.00 0.00 C ATOM 0 H ILE B 89 10.571 4.756 0.538 1.00 0.00 H new ATOM 0 HA ILE B 89 8.071 4.754 -0.982 1.00 0.00 H new ATOM 0 HB ILE B 89 8.700 3.703 1.815 1.00 0.00 H new ATOM 0 HG12 ILE B 89 10.050 2.525 0.172 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.779 1.473 0.765 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.627 2.399 1.544 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.322 4.151 1.467 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.344 3.185 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.043 1.253 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.444 1.926 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.734 2.993 -1.857 1.00 0.00 H new ATOM 1373 N GLU B 90 6.783 6.475 0.309 1.00 0.00 N ATOM 1374 CA GLU B 90 6.073 7.561 0.975 1.00 0.00 C ATOM 1375 C GLU B 90 4.637 7.179 1.285 1.00 0.00 C ATOM 1376 O GLU B 90 4.044 6.335 0.610 1.00 0.00 O ATOM 1377 CB GLU B 90 6.076 8.823 0.123 1.00 0.00 C ATOM 1378 CG GLU B 90 7.334 9.661 0.274 1.00 0.00 C ATOM 1379 CD GLU B 90 7.467 10.261 1.660 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.936 9.560 2.580 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.101 11.439 1.840 1.00 0.00 O1- ATOM 0 H GLU B 90 6.297 6.093 -0.502 1.00 0.00 H new ATOM 0 HA GLU B 90 6.599 7.754 1.910 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.960 8.544 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.211 9.431 0.388 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.207 9.042 0.064 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.325 10.461 -0.466 1.00 0.00 H new ATOM 1388 N ILE B 91 4.093 7.818 2.311 1.00 0.00 N ATOM 1389 CA ILE B 91 2.718 7.605 2.726 1.00 0.00 C ATOM 1390 C ILE B 91 2.033 8.958 2.921 1.00 0.00 C ATOM 1391 O ILE B 91 2.406 9.709 3.826 1.00 0.00 O ATOM 1392 CB ILE B 91 2.653 6.855 4.074 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.490 5.576 4.038 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.212 6.540 4.451 1.00 0.00 C ATOM 1395 CD1 ILE B 91 3.620 4.905 5.388 1.00 0.00 C ATOM 0 H ILE B 91 4.596 8.500 2.879 1.00 0.00 H new ATOM 0 HA ILE B 91 2.224 7.015 1.954 1.00 0.00 H new ATOM 0 HB ILE B 91 3.073 7.511 4.837 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.040 4.876 3.334 1.00 0.00 H new ATOM 0 HG13 ILE B 91 4.485 5.812 3.661 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.192 6.012 5.404 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.648 7.468 4.539 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.763 5.914 3.680 1.00 0.00 H new ATOM 0 HD11 ILE B 91 4.226 4.004 5.290 1.00 0.00 H new ATOM 0 HD12 ILE B 91 4.098 5.589 6.090 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.630 4.638 5.758 1.00 0.00 H new ATOM 1407 N LYS B 92 1.039 9.277 2.103 1.00 0.00 N ATOM 1408 CA LYS B 92 0.392 10.585 2.191 1.00 0.00 C ATOM 1409 C LYS B 92 -0.912 10.635 1.405 1.00 0.00 C ATOM 1410 O LYS B 92 -1.163 9.799 0.538 1.00 0.00 O ATOM 1411 CB LYS B 92 1.338 11.655 1.659 1.00 0.00 C ATOM 1412 CG LYS B 92 1.633 11.506 0.187 1.00 0.00 C ATOM 1413 CD LYS B 92 2.626 12.559 -0.260 1.00 0.00 C ATOM 1414 CE LYS B 92 3.083 12.340 -1.689 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.081 13.355 -2.107 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.666 8.661 1.381 1.00 0.00 H new ATOM 0 HA LYS B 92 0.157 10.766 3.240 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.903 12.638 1.838 1.00 0.00 H new ATOM 0 HB3 LYS B 92 2.274 11.614 2.217 1.00 0.00 H new ATOM 0 HG2 LYS B 92 2.033 10.512 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.711 11.599 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.172 13.546 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.491 12.546 0.403 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.515 11.344 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.222 12.379 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.370 13.173 -3.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 3.660 14.304 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 4.913 13.300 -1.485 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.733 11.632 1.721 1.00 0.00 N ATOM 1430 CA GLN B 93 -2.966 11.879 0.999 1.00 0.00 C ATOM 1431 C GLN B 93 -2.702 12.641 -0.292 1.00 0.00 C ATOM 1432 O GLN B 93 -1.625 13.208 -0.489 1.00 0.00 O ATOM 1433 CB GLN B 93 -3.986 12.607 1.887 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.429 13.733 2.761 1.00 0.00 C ATOM 1435 CD GLN B 93 -2.931 14.937 1.982 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -3.705 15.831 1.642 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -1.631 14.996 1.743 1.00 0.00 N ATOM 0 H GLN B 93 -1.559 12.287 2.483 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.397 10.916 0.726 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.765 13.022 1.247 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.464 11.872 2.535 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.205 14.058 3.453 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -2.610 13.339 3.363 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -1.023 14.234 2.041 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -1.237 15.804 1.261 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.684 12.629 -1.169 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.532 13.171 -2.506 1.00 0.00 C ATOM 1448 C ILE B 94 -4.558 14.267 -2.797 1.00 0.00 C ATOM 1449 O ILE B 94 -5.589 13.979 -3.433 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.666 12.027 -3.524 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.810 11.104 -3.097 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.361 11.255 -3.594 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.085 9.966 -4.054 1.00 0.00 C ATOM 1454 OXT ILE B 94 -4.325 15.422 -2.378 1.00 0.00 O ATOM 0 H ILE B 94 -4.609 12.244 -0.977 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.546 13.629 -2.585 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.886 12.432 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.579 10.690 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.718 11.697 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.456 10.444 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.559 11.924 -3.904 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.130 10.842 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.910 9.363 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.350 10.369 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.194 9.345 -4.147 1.00 0.00 H new TER 1466 ILE B 94