USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 781 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: A 52 THR OG1 : rot -100:sc= -0.97! USER MOD Set 1.2: A 54 LYS NZ :NH3+ 145:sc= 0.743 (180deg=0.019!) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -14! C(o=-13!,f=-11!) USER MOD Set 2.2: A 38 THR OG1 : rot 155:sc= 1.09 USER MOD Set 3.1: A 33 ASN : amide:sc= -0.716 K(o=-0.36,f=-22!) USER MOD Set 3.2: A 81 LYS NZ :NH3+ -100:sc= 0.357 (180deg=-1.34!) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -166:sc= -0.167! (180deg=-0.586) USER MOD Set 4.2: A 26 GLN : amide:sc= 0.632 K(o=0.46,f=-16!) USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.719 (180deg=0.073) USER MOD Single : A 1 SER OG : rot 180:sc= 0.164 USER MOD Single : A 2 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.75) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 5 ASN : amide:sc= -0.573 K(o=-0.57,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= -8.98! C(o=-9!,f=-7.4!) USER MOD Single : A 20 THR OG1 : rot 38:sc= 0.178 USER MOD Single : A 23 GLN : amide:sc= -1.31 K(o=-1.3,f=-6.3!) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -1.58 (180deg=-1.92) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.781! C(o=-0.78!,f=-7.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -11.8! C(o=-12!,f=-10!) USER MOD Single : A 59 LYS NZ :NH3+ 136:sc= -1.35! (180deg=-2.58!) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 0.968 (180deg=0.583) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -7.12! C(o=-7.1!,f=-6.4!) USER MOD Single : A 75 MET CE :methyl -110:sc= 0 (180deg=-0.0758) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 0.863 (180deg=0.0678) USER MOD Single : A 80 SER OG : rot 180:sc= 0.128 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= 1.31 (180deg=0.259!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.268 1.303 -4.999 1.00 0.00 N ATOM 2 CA SER A 1 19.822 1.572 -5.271 1.00 0.00 C ATOM 3 C SER A 1 18.947 0.692 -4.371 1.00 0.00 C ATOM 4 O SER A 1 19.378 -0.347 -3.908 1.00 0.00 O ATOM 5 CB SER A 1 19.614 1.208 -6.745 1.00 0.00 C ATOM 6 OG SER A 1 20.861 1.297 -7.431 1.00 0.00 O ATOM 0 H1 SER A 1 21.808 1.382 -5.884 1.00 0.00 H new ATOM 0 H2 SER A 1 21.627 1.996 -4.311 1.00 0.00 H new ATOM 0 H3 SER A 1 21.376 0.344 -4.612 1.00 0.00 H new ATOM 0 HA SER A 1 19.550 2.608 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 1 19.210 0.199 -6.829 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.887 1.881 -7.199 1.00 0.00 H new ATOM 0 HG SER A 1 20.733 1.063 -8.374 1.00 0.00 H new ATOM 14 N ASN A 2 17.731 1.100 -4.119 1.00 0.00 N ATOM 15 CA ASN A 2 16.833 0.287 -3.244 1.00 0.00 C ATOM 16 C ASN A 2 15.469 0.113 -3.921 1.00 0.00 C ATOM 17 O ASN A 2 14.740 1.067 -4.109 1.00 0.00 O ATOM 18 CB ASN A 2 16.691 1.096 -1.947 1.00 0.00 C ATOM 19 CG ASN A 2 18.073 1.351 -1.334 1.00 0.00 C ATOM 20 OD1 ASN A 2 18.768 2.264 -1.734 1.00 0.00 O ATOM 21 ND2 ASN A 2 18.505 0.582 -0.374 1.00 0.00 N ATOM 0 H ASN A 2 17.320 1.961 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 2 17.230 -0.710 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 2 16.195 2.044 -2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 2 16.064 0.555 -1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 2 19.423 0.748 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 2 17.925 -0.186 -0.035 1.00 0.00 H new ATOM 28 N THR A 3 15.122 -1.094 -4.290 1.00 0.00 N ATOM 29 CA THR A 3 13.803 -1.328 -4.957 1.00 0.00 C ATOM 30 C THR A 3 13.179 -2.628 -4.433 1.00 0.00 C ATOM 31 O THR A 3 13.835 -3.652 -4.359 1.00 0.00 O ATOM 32 CB THR A 3 14.117 -1.433 -6.458 1.00 0.00 C ATOM 33 OG1 THR A 3 15.167 -0.534 -6.793 1.00 0.00 O ATOM 34 CG2 THR A 3 12.872 -1.073 -7.270 1.00 0.00 C ATOM 0 H THR A 3 15.694 -1.928 -4.159 1.00 0.00 H new ATOM 0 HA THR A 3 13.089 -0.529 -4.758 1.00 0.00 H new ATOM 0 HB THR A 3 14.423 -2.454 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 3 15.365 -0.605 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 3 13.097 -1.148 -8.334 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.064 -1.760 -7.021 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.567 -0.053 -7.035 1.00 0.00 H new ATOM 42 N ARG A 4 11.923 -2.591 -4.053 1.00 0.00 N ATOM 43 CA ARG A 4 11.258 -3.828 -3.512 1.00 0.00 C ATOM 44 C ARG A 4 10.044 -4.231 -4.366 1.00 0.00 C ATOM 45 O ARG A 4 9.100 -3.466 -4.531 1.00 0.00 O ATOM 46 CB ARG A 4 10.814 -3.473 -2.080 1.00 0.00 C ATOM 47 CG ARG A 4 10.101 -2.114 -2.067 1.00 0.00 C ATOM 48 CD ARG A 4 8.732 -2.238 -1.400 1.00 0.00 C ATOM 49 NE ARG A 4 7.856 -1.315 -2.180 1.00 0.00 N ATOM 50 CZ ARG A 4 6.738 -1.752 -2.697 1.00 0.00 C ATOM 51 NH1 ARG A 4 6.767 -2.610 -3.685 1.00 0.00 N ATOM 52 NH2 ARG A 4 5.595 -1.334 -2.221 1.00 0.00 N ATOM 0 H ARG A 4 11.329 -1.763 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 4 11.941 -4.677 -3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.147 -4.245 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.681 -3.443 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.708 -1.383 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.984 -1.748 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.363 -3.263 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.774 -1.953 -0.349 1.00 0.00 H new ATOM 0 HE ARG A 4 8.130 -0.341 -2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.661 -2.937 -4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.895 -2.952 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.577 -0.669 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.721 -1.673 -2.622 1.00 0.00 H new ATOM 66 N ASN A 5 10.055 -5.434 -4.893 1.00 0.00 N ATOM 67 CA ASN A 5 8.905 -5.911 -5.722 1.00 0.00 C ATOM 68 C ASN A 5 7.811 -6.489 -4.827 1.00 0.00 C ATOM 69 O ASN A 5 8.083 -7.061 -3.791 1.00 0.00 O ATOM 70 CB ASN A 5 9.473 -7.006 -6.635 1.00 0.00 C ATOM 71 CG ASN A 5 8.347 -7.597 -7.494 1.00 0.00 C ATOM 72 OD1 ASN A 5 7.557 -8.384 -7.019 1.00 0.00 O ATOM 73 ND2 ASN A 5 8.242 -7.254 -8.747 1.00 0.00 N ATOM 0 H ASN A 5 10.814 -6.106 -4.783 1.00 0.00 H new ATOM 0 HA ASN A 5 8.461 -5.098 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.253 -6.592 -7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.936 -7.790 -6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.498 -7.647 -9.323 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.904 -6.592 -9.152 1.00 0.00 H new ATOM 80 N PHE A 6 6.579 -6.355 -5.234 1.00 0.00 N ATOM 81 CA PHE A 6 5.445 -6.908 -4.436 1.00 0.00 C ATOM 82 C PHE A 6 4.375 -7.425 -5.401 1.00 0.00 C ATOM 83 O PHE A 6 4.319 -7.010 -6.545 1.00 0.00 O ATOM 84 CB PHE A 6 4.933 -5.737 -3.594 1.00 0.00 C ATOM 85 CG PHE A 6 5.502 -5.845 -2.195 1.00 0.00 C ATOM 86 CD1 PHE A 6 6.761 -5.301 -1.898 1.00 0.00 C ATOM 87 CD2 PHE A 6 4.773 -6.498 -1.195 1.00 0.00 C ATOM 88 CE1 PHE A 6 7.283 -5.411 -0.605 1.00 0.00 C ATOM 89 CE2 PHE A 6 5.297 -6.607 0.095 1.00 0.00 C ATOM 90 CZ PHE A 6 6.552 -6.064 0.391 1.00 0.00 C ATOM 0 H PHE A 6 6.305 -5.881 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 6 5.731 -7.741 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.228 -4.791 -4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.844 -5.748 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.327 -4.797 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.804 -6.918 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.251 -4.991 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.732 -7.111 0.865 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.956 -6.150 1.389 1.00 0.00 H new ATOM 100 N VAL A 7 3.545 -8.344 -4.979 1.00 0.00 N ATOM 101 CA VAL A 7 2.515 -8.890 -5.919 1.00 0.00 C ATOM 102 C VAL A 7 1.104 -8.864 -5.303 1.00 0.00 C ATOM 103 O VAL A 7 0.898 -9.282 -4.178 1.00 0.00 O ATOM 104 CB VAL A 7 2.961 -10.336 -6.195 1.00 0.00 C ATOM 105 CG1 VAL A 7 4.359 -10.333 -6.821 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.003 -11.132 -4.885 1.00 0.00 C ATOM 0 H VAL A 7 3.533 -8.737 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 7 2.449 -8.292 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 7 2.250 -10.799 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.673 -11.359 -7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.337 -9.776 -7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.064 -9.862 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.320 -12.154 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.708 -10.665 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.011 -11.143 -4.434 1.00 0.00 H new ATOM 116 N LEU A 8 0.135 -8.374 -6.044 1.00 0.00 N ATOM 117 CA LEU A 8 -1.278 -8.317 -5.518 1.00 0.00 C ATOM 118 C LEU A 8 -2.290 -8.121 -6.675 1.00 0.00 C ATOM 119 O LEU A 8 -1.913 -7.777 -7.783 1.00 0.00 O ATOM 120 CB LEU A 8 -1.311 -7.133 -4.531 1.00 0.00 C ATOM 121 CG LEU A 8 -0.319 -6.035 -4.958 1.00 0.00 C ATOM 122 CD1 LEU A 8 -0.941 -4.659 -4.735 1.00 0.00 C ATOM 123 CD2 LEU A 8 0.962 -6.149 -4.127 1.00 0.00 C ATOM 0 H LEU A 8 0.257 -8.011 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.562 -9.246 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.319 -6.720 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.064 -7.483 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.084 -6.160 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.234 -3.887 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.852 -4.571 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.182 -4.535 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.663 -5.371 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.722 -6.029 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.414 -7.128 -4.288 1.00 0.00 H new ATOM 135 N ARG A 9 -3.575 -8.353 -6.430 1.00 0.00 N ATOM 136 CA ARG A 9 -4.605 -8.197 -7.528 1.00 0.00 C ATOM 137 C ARG A 9 -5.834 -7.345 -7.101 1.00 0.00 C ATOM 138 O ARG A 9 -6.602 -7.727 -6.252 1.00 0.00 O ATOM 139 CB ARG A 9 -5.044 -9.630 -7.846 1.00 0.00 C ATOM 140 CG ARG A 9 -3.996 -10.303 -8.736 1.00 0.00 C ATOM 141 CD ARG A 9 -3.835 -11.769 -8.322 1.00 0.00 C ATOM 142 NE ARG A 9 -3.042 -12.396 -9.419 1.00 0.00 N ATOM 143 CZ ARG A 9 -1.784 -12.691 -9.234 1.00 0.00 C ATOM 144 NH1 ARG A 9 -0.887 -11.745 -9.260 1.00 0.00 N ATOM 145 NH2 ARG A 9 -1.431 -13.929 -9.018 1.00 0.00 N ATOM 0 H ARG A 9 -3.949 -8.641 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.179 -7.669 -8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.169 -10.196 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.011 -9.622 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.298 -10.241 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.042 -9.783 -8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.321 -11.854 -7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.804 -12.255 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.484 -12.595 -10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.169 -10.779 -9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.097 -11.971 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.138 -14.664 -8.994 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.448 -14.161 -8.873 1.00 0.00 H new ATOM 159 N ASP A 10 -5.997 -6.199 -7.722 1.00 0.00 N ATOM 160 CA ASP A 10 -7.125 -5.241 -7.462 1.00 0.00 C ATOM 161 C ASP A 10 -8.415 -5.739 -8.067 1.00 0.00 C ATOM 162 O ASP A 10 -8.618 -6.929 -8.221 1.00 0.00 O ATOM 163 CB ASP A 10 -6.745 -3.967 -8.205 1.00 0.00 C ATOM 164 CG ASP A 10 -7.057 -2.746 -7.353 1.00 0.00 C ATOM 165 OD1 ASP A 10 -6.602 -2.694 -6.231 1.00 0.00 O ATOM 166 OD2 ASP A 10 -7.710 -1.865 -7.855 1.00 0.00 O ATOM 0 H ASP A 10 -5.353 -5.871 -8.442 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.272 -5.109 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.684 -3.985 -8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.291 -3.911 -9.147 1.00 0.00 H new ATOM 171 N GLU A 11 -9.319 -4.822 -8.359 1.00 0.00 N ATOM 172 CA GLU A 11 -10.636 -5.216 -8.911 1.00 0.00 C ATOM 173 C GLU A 11 -11.348 -5.914 -7.781 1.00 0.00 C ATOM 174 O GLU A 11 -11.853 -7.016 -7.878 1.00 0.00 O ATOM 175 CB GLU A 11 -10.372 -6.128 -10.126 1.00 0.00 C ATOM 176 CG GLU A 11 -10.116 -5.266 -11.374 1.00 0.00 C ATOM 177 CD GLU A 11 -8.827 -4.448 -11.202 1.00 0.00 C ATOM 178 OE1 GLU A 11 -7.757 -5.039 -11.262 1.00 0.00 O ATOM 179 OE2 GLU A 11 -8.929 -3.240 -11.018 1.00 0.00 O ATOM 0 H GLU A 11 -9.187 -3.818 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.253 -4.389 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.512 -6.769 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.227 -6.783 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.035 -5.904 -12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.960 -4.597 -11.541 1.00 0.00 H new ATOM 186 N ASP A 12 -11.363 -5.191 -6.685 1.00 0.00 N ATOM 187 CA ASP A 12 -11.997 -5.610 -5.436 1.00 0.00 C ATOM 188 C ASP A 12 -11.446 -6.927 -4.891 1.00 0.00 C ATOM 189 O ASP A 12 -12.005 -7.488 -3.969 1.00 0.00 O ATOM 190 CB ASP A 12 -13.431 -5.826 -5.819 1.00 0.00 C ATOM 191 CG ASP A 12 -14.186 -4.494 -5.935 1.00 0.00 C ATOM 192 OD1 ASP A 12 -14.042 -3.669 -5.047 1.00 0.00 O ATOM 193 OD2 ASP A 12 -14.912 -4.327 -6.903 1.00 0.00 O ATOM 0 H ASP A 12 -10.927 -4.271 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.830 -4.866 -4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.479 -6.357 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.917 -6.458 -5.075 1.00 0.00 H new ATOM 198 N GLY A 13 -10.389 -7.461 -5.443 1.00 0.00 N ATOM 199 CA GLY A 13 -9.893 -8.753 -4.898 1.00 0.00 C ATOM 200 C GLY A 13 -8.882 -8.478 -3.796 1.00 0.00 C ATOM 201 O GLY A 13 -9.161 -8.606 -2.622 1.00 0.00 O ATOM 0 H GLY A 13 -9.862 -7.071 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.725 -9.339 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.433 -9.343 -5.691 1.00 0.00 H new ATOM 205 N ASN A 14 -7.708 -8.094 -4.183 1.00 0.00 N ATOM 206 CA ASN A 14 -6.634 -7.768 -3.191 1.00 0.00 C ATOM 207 C ASN A 14 -6.232 -6.290 -3.355 1.00 0.00 C ATOM 208 O ASN A 14 -6.625 -5.416 -2.615 1.00 0.00 O ATOM 209 CB ASN A 14 -5.457 -8.691 -3.570 1.00 0.00 C ATOM 210 CG ASN A 14 -5.540 -10.049 -2.857 1.00 0.00 C ATOM 211 OD1 ASN A 14 -4.527 -10.598 -2.473 1.00 0.00 O ATOM 212 ND2 ASN A 14 -6.691 -10.632 -2.680 1.00 0.00 N ATOM 0 H ASN A 14 -7.432 -7.987 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.947 -7.914 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.451 -8.847 -4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.516 -8.203 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.737 -11.542 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.547 -10.178 -2.999 1.00 0.00 H new ATOM 219 N GLU A 15 -5.444 -6.054 -4.372 1.00 0.00 N ATOM 220 CA GLU A 15 -4.945 -4.700 -4.747 1.00 0.00 C ATOM 221 C GLU A 15 -4.091 -4.903 -5.985 1.00 0.00 C ATOM 222 O GLU A 15 -3.302 -5.813 -6.009 1.00 0.00 O ATOM 223 CB GLU A 15 -4.091 -4.213 -3.573 1.00 0.00 C ATOM 224 CG GLU A 15 -4.783 -3.059 -2.849 1.00 0.00 C ATOM 225 CD GLU A 15 -4.140 -2.873 -1.473 1.00 0.00 C ATOM 226 OE1 GLU A 15 -3.081 -2.264 -1.408 1.00 0.00 O ATOM 227 OE2 GLU A 15 -4.711 -3.345 -0.508 1.00 0.00 O ATOM 0 H GLU A 15 -5.109 -6.792 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.733 -3.974 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.917 -5.034 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.115 -3.890 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.695 -2.142 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.848 -3.267 -2.741 1.00 0.00 H new ATOM 234 N HIS A 16 -4.209 -4.130 -7.024 1.00 0.00 N ATOM 235 CA HIS A 16 -3.328 -4.466 -8.187 1.00 0.00 C ATOM 236 C HIS A 16 -1.937 -3.957 -7.982 1.00 0.00 C ATOM 237 O HIS A 16 -1.689 -2.795 -7.750 1.00 0.00 O ATOM 238 CB HIS A 16 -3.902 -4.006 -9.530 1.00 0.00 C ATOM 239 CG HIS A 16 -4.435 -2.588 -9.578 1.00 0.00 C ATOM 240 ND1 HIS A 16 -4.612 -1.954 -10.816 1.00 0.00 N ATOM 241 CD2 HIS A 16 -4.848 -1.665 -8.629 1.00 0.00 C ATOM 242 CE1 HIS A 16 -5.100 -0.726 -10.588 1.00 0.00 C ATOM 243 NE2 HIS A 16 -5.249 -0.524 -9.297 1.00 0.00 N ATOM 0 H HIS A 16 -4.832 -3.329 -7.126 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.286 -5.554 -8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.125 -4.106 -10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.708 -4.685 -9.809 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.406 -2.357 -11.730 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.855 -1.812 -7.559 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.337 -0.005 -11.356 1.00 0.00 H new ATOM 252 N GLY A 17 -1.027 -4.861 -8.056 1.00 0.00 N ATOM 253 CA GLY A 17 0.389 -4.495 -7.860 1.00 0.00 C ATOM 254 C GLY A 17 1.302 -5.639 -8.254 1.00 0.00 C ATOM 255 O GLY A 17 1.418 -6.633 -7.567 1.00 0.00 O ATOM 0 H GLY A 17 -1.199 -5.848 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.627 -3.613 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.560 -4.231 -6.816 1.00 0.00 H new ATOM 259 N VAL A 18 1.989 -5.472 -9.331 1.00 0.00 N ATOM 260 CA VAL A 18 2.965 -6.503 -9.769 1.00 0.00 C ATOM 261 C VAL A 18 4.157 -5.762 -10.373 1.00 0.00 C ATOM 262 O VAL A 18 4.276 -5.592 -11.574 1.00 0.00 O ATOM 263 CB VAL A 18 2.297 -7.339 -10.849 1.00 0.00 C ATOM 264 CG1 VAL A 18 2.483 -8.825 -10.537 1.00 0.00 C ATOM 265 CG2 VAL A 18 0.796 -7.030 -10.967 1.00 0.00 C ATOM 0 H VAL A 18 1.921 -4.657 -9.940 1.00 0.00 H new ATOM 0 HA VAL A 18 3.286 -7.141 -8.946 1.00 0.00 H new ATOM 0 HB VAL A 18 2.769 -7.089 -11.799 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.003 -9.422 -11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.547 -9.060 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.031 -9.053 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.358 -7.649 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.305 -7.244 -10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.660 -5.978 -11.217 1.00 0.00 H new ATOM 275 N PHE A 19 5.014 -5.303 -9.529 1.00 0.00 N ATOM 276 CA PHE A 19 6.222 -4.522 -9.978 1.00 0.00 C ATOM 277 C PHE A 19 7.131 -4.171 -8.781 1.00 0.00 C ATOM 278 O PHE A 19 6.914 -4.618 -7.669 1.00 0.00 O ATOM 279 CB PHE A 19 5.723 -3.228 -10.674 1.00 0.00 C ATOM 280 CG PHE A 19 4.335 -2.799 -10.217 1.00 0.00 C ATOM 281 CD1 PHE A 19 3.926 -2.979 -8.889 1.00 0.00 C ATOM 282 CD2 PHE A 19 3.461 -2.205 -11.139 1.00 0.00 C ATOM 283 CE1 PHE A 19 2.651 -2.571 -8.488 1.00 0.00 C ATOM 284 CE2 PHE A 19 2.186 -1.794 -10.735 1.00 0.00 C ATOM 285 CZ PHE A 19 1.781 -1.978 -9.409 1.00 0.00 C ATOM 0 H PHE A 19 4.944 -5.429 -8.519 1.00 0.00 H new ATOM 0 HA PHE A 19 6.813 -5.123 -10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.429 -2.421 -10.477 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.711 -3.385 -11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.597 -3.433 -8.175 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.773 -2.064 -12.163 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.337 -2.714 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.515 -1.335 -11.446 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.797 -1.662 -9.096 1.00 0.00 H new ATOM 295 N THR A 20 8.153 -3.373 -9.015 1.00 0.00 N ATOM 296 CA THR A 20 9.100 -2.983 -7.916 1.00 0.00 C ATOM 297 C THR A 20 8.902 -1.520 -7.477 1.00 0.00 C ATOM 298 O THR A 20 8.776 -0.629 -8.295 1.00 0.00 O ATOM 299 CB THR A 20 10.496 -3.148 -8.530 1.00 0.00 C ATOM 300 OG1 THR A 20 10.566 -2.423 -9.752 1.00 0.00 O ATOM 301 CG2 THR A 20 10.775 -4.626 -8.802 1.00 0.00 C ATOM 0 H THR A 20 8.372 -2.973 -9.928 1.00 0.00 H new ATOM 0 HA THR A 20 8.941 -3.594 -7.028 1.00 0.00 H new ATOM 0 HB THR A 20 11.240 -2.764 -7.832 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.068 -1.584 -9.663 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.768 -4.735 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.726 -5.184 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.030 -5.015 -9.496 1.00 0.00 H new ATOM 309 N GLY A 21 8.916 -1.270 -6.189 1.00 0.00 N ATOM 310 CA GLY A 21 8.773 0.131 -5.676 1.00 0.00 C ATOM 311 C GLY A 21 10.072 0.514 -4.967 1.00 0.00 C ATOM 312 O GLY A 21 10.547 -0.209 -4.114 1.00 0.00 O ATOM 0 H GLY A 21 9.021 -1.981 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.571 0.818 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.930 0.200 -4.989 1.00 0.00 H new ATOM 316 N LYS A 22 10.661 1.629 -5.306 1.00 0.00 N ATOM 317 CA LYS A 22 11.931 2.030 -4.639 1.00 0.00 C ATOM 318 C LYS A 22 11.728 2.119 -3.114 1.00 0.00 C ATOM 319 O LYS A 22 12.569 1.697 -2.345 1.00 0.00 O ATOM 320 CB LYS A 22 12.298 3.391 -5.249 1.00 0.00 C ATOM 321 CG LYS A 22 11.134 4.384 -5.143 1.00 0.00 C ATOM 322 CD LYS A 22 11.557 5.726 -5.752 1.00 0.00 C ATOM 323 CE LYS A 22 10.768 6.867 -5.099 1.00 0.00 C ATOM 324 NZ LYS A 22 11.360 7.022 -3.737 1.00 0.00 N ATOM 0 H LYS A 22 10.318 2.278 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 22 12.731 1.306 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.172 3.796 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.572 3.260 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.260 3.994 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.849 4.519 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.626 5.881 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.380 5.719 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.858 7.788 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.706 6.629 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.732 7.608 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.470 6.086 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.290 7.481 -3.813 1.00 0.00 H new ATOM 338 N GLN A 23 10.609 2.634 -2.672 1.00 0.00 N ATOM 339 CA GLN A 23 10.354 2.716 -1.203 1.00 0.00 C ATOM 340 C GLN A 23 9.069 1.946 -0.867 1.00 0.00 C ATOM 341 O GLN A 23 8.087 2.047 -1.572 1.00 0.00 O ATOM 342 CB GLN A 23 10.207 4.213 -0.903 1.00 0.00 C ATOM 343 CG GLN A 23 10.528 4.484 0.575 1.00 0.00 C ATOM 344 CD GLN A 23 12.034 4.336 0.817 1.00 0.00 C ATOM 345 OE1 GLN A 23 12.535 3.238 0.917 1.00 0.00 O ATOM 346 NE2 GLN A 23 12.779 5.403 0.921 1.00 0.00 N ATOM 0 H GLN A 23 9.863 3.000 -3.263 1.00 0.00 H new ATOM 0 HA GLN A 23 11.153 2.276 -0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.878 4.788 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.192 4.540 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.204 5.488 0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.979 3.788 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.359 6.329 0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.781 5.311 1.086 1.00 0.00 H new ATOM 355 N PRO A 24 9.118 1.180 0.195 1.00 0.00 N ATOM 356 CA PRO A 24 7.936 0.374 0.600 1.00 0.00 C ATOM 357 C PRO A 24 6.780 1.269 1.064 1.00 0.00 C ATOM 358 O PRO A 24 5.670 1.148 0.589 1.00 0.00 O ATOM 359 CB PRO A 24 8.470 -0.500 1.738 1.00 0.00 C ATOM 360 CG PRO A 24 9.653 0.240 2.275 1.00 0.00 C ATOM 361 CD PRO A 24 10.252 0.994 1.115 1.00 0.00 C ATOM 0 HA PRO A 24 7.523 -0.214 -0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.714 -0.648 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.754 -1.488 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.354 0.924 3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.379 -0.450 2.705 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.671 1.949 1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.060 0.432 0.646 1.00 0.00 H new ATOM 369 N ARG A 25 7.033 2.154 1.989 1.00 0.00 N ATOM 370 CA ARG A 25 5.946 3.052 2.497 1.00 0.00 C ATOM 371 C ARG A 25 5.742 4.253 1.563 1.00 0.00 C ATOM 372 O ARG A 25 4.658 4.479 1.066 1.00 0.00 O ATOM 373 CB ARG A 25 6.422 3.520 3.877 1.00 0.00 C ATOM 374 CG ARG A 25 6.605 2.312 4.803 1.00 0.00 C ATOM 375 CD ARG A 25 6.256 2.717 6.237 1.00 0.00 C ATOM 376 NE ARG A 25 6.628 1.544 7.084 1.00 0.00 N ATOM 377 CZ ARG A 25 5.913 1.248 8.139 1.00 0.00 C ATOM 378 NH1 ARG A 25 5.698 2.159 9.054 1.00 0.00 N ATOM 379 NH2 ARG A 25 5.400 0.052 8.266 1.00 0.00 N ATOM 0 H ARG A 25 7.947 2.298 2.419 1.00 0.00 H new ATOM 0 HA ARG A 25 4.988 2.534 2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.363 4.062 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.697 4.212 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.966 1.491 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.633 1.954 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.806 3.609 6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.195 2.949 6.332 1.00 0.00 H new ATOM 0 HE ARG A 25 7.438 0.975 6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.087 3.095 8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.141 1.933 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.557 -0.650 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.843 -0.179 9.088 1.00 0.00 H new ATOM 393 N GLN A 26 6.770 5.029 1.330 1.00 0.00 N ATOM 394 CA GLN A 26 6.629 6.230 0.439 1.00 0.00 C ATOM 395 C GLN A 26 6.022 5.853 -0.914 1.00 0.00 C ATOM 396 O GLN A 26 5.154 6.544 -1.411 1.00 0.00 O ATOM 397 CB GLN A 26 8.057 6.769 0.284 1.00 0.00 C ATOM 398 CG GLN A 26 8.114 7.840 -0.810 1.00 0.00 C ATOM 399 CD GLN A 26 9.571 8.242 -1.052 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.031 8.249 -2.179 1.00 0.00 O ATOM 401 NE2 GLN A 26 10.329 8.568 -0.041 1.00 0.00 N ATOM 0 H GLN A 26 7.703 4.886 1.717 1.00 0.00 H new ATOM 0 HA GLN A 26 5.955 6.976 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.397 7.190 1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.735 5.952 0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.673 7.459 -1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.529 8.711 -0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.947 8.563 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.303 8.827 -0.197 1.00 0.00 H new ATOM 410 N ALA A 27 6.446 4.771 -1.515 1.00 0.00 N ATOM 411 CA ALA A 27 5.851 4.393 -2.821 1.00 0.00 C ATOM 412 C ALA A 27 4.471 3.748 -2.596 1.00 0.00 C ATOM 413 O ALA A 27 3.696 3.605 -3.518 1.00 0.00 O ATOM 414 CB ALA A 27 6.847 3.424 -3.446 1.00 0.00 C ATOM 0 H ALA A 27 7.168 4.144 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 27 5.682 5.246 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.477 3.098 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.809 3.922 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.969 2.558 -2.795 1.00 0.00 H new ATOM 420 N ALA A 28 4.151 3.378 -1.371 1.00 0.00 N ATOM 421 CA ALA A 28 2.812 2.771 -1.092 1.00 0.00 C ATOM 422 C ALA A 28 1.707 3.776 -1.421 1.00 0.00 C ATOM 423 O ALA A 28 0.780 3.466 -2.142 1.00 0.00 O ATOM 424 CB ALA A 28 2.798 2.454 0.407 1.00 0.00 C ATOM 0 H ALA A 28 4.761 3.472 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 28 2.642 1.878 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.841 2.006 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.603 1.757 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.940 3.374 0.975 1.00 0.00 H new ATOM 430 N LEU A 29 1.795 4.979 -0.902 1.00 0.00 N ATOM 431 CA LEU A 29 0.733 5.988 -1.207 1.00 0.00 C ATOM 432 C LEU A 29 0.825 6.405 -2.682 1.00 0.00 C ATOM 433 O LEU A 29 -0.167 6.506 -3.376 1.00 0.00 O ATOM 434 CB LEU A 29 0.973 7.159 -0.234 1.00 0.00 C ATOM 435 CG LEU A 29 2.182 8.012 -0.630 1.00 0.00 C ATOM 436 CD1 LEU A 29 1.736 9.106 -1.603 1.00 0.00 C ATOM 437 CD2 LEU A 29 2.766 8.665 0.621 1.00 0.00 C ATOM 0 H LEU A 29 2.545 5.301 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.276 5.599 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.084 7.788 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.123 6.767 0.772 1.00 0.00 H new ATOM 0 HG LEU A 29 2.934 7.382 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.595 9.714 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.307 8.648 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.988 9.737 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.627 9.274 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.010 9.296 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.078 7.892 1.323 1.00 0.00 H new ATOM 449 N LYS A 30 2.017 6.622 -3.164 1.00 0.00 N ATOM 450 CA LYS A 30 2.198 7.009 -4.608 1.00 0.00 C ATOM 451 C LYS A 30 1.687 5.901 -5.554 1.00 0.00 C ATOM 452 O LYS A 30 1.072 6.173 -6.574 1.00 0.00 O ATOM 453 CB LYS A 30 3.715 7.158 -4.816 1.00 0.00 C ATOM 454 CG LYS A 30 4.316 8.131 -3.801 1.00 0.00 C ATOM 455 CD LYS A 30 4.076 9.563 -4.262 1.00 0.00 C ATOM 456 CE LYS A 30 4.174 10.497 -3.057 1.00 0.00 C ATOM 457 NZ LYS A 30 5.090 11.592 -3.489 1.00 0.00 N ATOM 0 H LYS A 30 2.881 6.550 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 30 1.642 7.921 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.196 6.184 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.914 7.513 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.866 7.974 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.385 7.947 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.811 9.844 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.094 9.649 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.195 10.888 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.567 9.975 -2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.341 12.179 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.953 11.181 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.615 12.181 -4.203 1.00 0.00 H new ATOM 471 N ALA A 31 1.990 4.662 -5.246 1.00 0.00 N ATOM 472 CA ALA A 31 1.590 3.524 -6.138 1.00 0.00 C ATOM 473 C ALA A 31 0.080 3.419 -6.336 1.00 0.00 C ATOM 474 O ALA A 31 -0.389 3.278 -7.455 1.00 0.00 O ATOM 475 CB ALA A 31 2.115 2.267 -5.441 1.00 0.00 C ATOM 0 H ALA A 31 2.502 4.387 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 31 2.002 3.667 -7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.861 1.389 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.198 2.334 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.661 2.182 -4.454 1.00 0.00 H new ATOM 481 N ALA A 32 -0.691 3.465 -5.285 1.00 0.00 N ATOM 482 CA ALA A 32 -2.171 3.342 -5.473 1.00 0.00 C ATOM 483 C ALA A 32 -2.682 4.493 -6.304 1.00 0.00 C ATOM 484 O ALA A 32 -3.602 4.327 -7.080 1.00 0.00 O ATOM 485 CB ALA A 32 -2.793 3.390 -4.097 1.00 0.00 C ATOM 0 H ALA A 32 -0.373 3.580 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.423 2.414 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.876 3.303 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.410 2.565 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.542 4.336 -3.617 1.00 0.00 H new ATOM 491 N ASN A 33 -2.070 5.648 -6.163 1.00 0.00 N ATOM 492 CA ASN A 33 -2.502 6.835 -6.955 1.00 0.00 C ATOM 493 C ASN A 33 -2.716 6.406 -8.400 1.00 0.00 C ATOM 494 O ASN A 33 -3.705 6.748 -9.021 1.00 0.00 O ATOM 495 CB ASN A 33 -1.349 7.843 -6.843 1.00 0.00 C ATOM 496 CG ASN A 33 -1.899 9.246 -6.562 1.00 0.00 C ATOM 497 OD1 ASN A 33 -1.469 9.909 -5.634 1.00 0.00 O ATOM 498 ND2 ASN A 33 -2.828 9.741 -7.329 1.00 0.00 N ATOM 0 H ASN A 33 -1.288 5.815 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.435 7.272 -6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.671 7.544 -6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.771 7.849 -7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.191 10.678 -7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.193 9.192 -8.108 1.00 0.00 H new ATOM 505 N ARG A 34 -1.798 5.648 -8.936 1.00 0.00 N ATOM 506 CA ARG A 34 -1.967 5.179 -10.334 1.00 0.00 C ATOM 507 C ARG A 34 -2.499 3.728 -10.410 1.00 0.00 C ATOM 508 O ARG A 34 -3.598 3.490 -10.868 1.00 0.00 O ATOM 509 CB ARG A 34 -0.572 5.282 -10.963 1.00 0.00 C ATOM 510 CG ARG A 34 -0.565 6.392 -12.019 1.00 0.00 C ATOM 511 CD ARG A 34 -1.138 5.856 -13.337 1.00 0.00 C ATOM 512 NE ARG A 34 -1.877 7.006 -13.939 1.00 0.00 N ATOM 513 CZ ARG A 34 -3.033 6.812 -14.513 1.00 0.00 C ATOM 514 NH1 ARG A 34 -3.084 6.284 -15.707 1.00 0.00 N ATOM 515 NH2 ARG A 34 -4.132 7.148 -13.890 1.00 0.00 N ATOM 0 H ARG A 34 -0.946 5.337 -8.468 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.707 5.783 -10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.170 5.494 -10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.296 4.331 -11.419 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.156 7.240 -11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.452 6.754 -12.174 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.345 5.508 -13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.802 5.009 -13.162 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.478 7.944 -13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.222 6.025 -16.187 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.986 6.131 -16.159 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.084 7.560 -12.958 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.037 6.998 -14.336 1.00 0.00 H new ATOM 529 N GLY A 35 -1.681 2.758 -10.055 1.00 0.00 N ATOM 530 CA GLY A 35 -2.087 1.319 -10.200 1.00 0.00 C ATOM 531 C GLY A 35 -2.251 0.493 -8.912 1.00 0.00 C ATOM 532 O GLY A 35 -2.480 -0.684 -9.030 1.00 0.00 O ATOM 0 H GLY A 35 -0.748 2.903 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.033 1.289 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.346 0.822 -10.826 1.00 0.00 H new ATOM 536 N SER A 36 -2.094 0.990 -7.714 1.00 0.00 N ATOM 537 CA SER A 36 -2.225 0.041 -6.545 1.00 0.00 C ATOM 538 C SER A 36 -3.672 -0.059 -6.080 1.00 0.00 C ATOM 539 O SER A 36 -3.987 -0.778 -5.153 1.00 0.00 O ATOM 540 CB SER A 36 -1.313 0.558 -5.430 1.00 0.00 C ATOM 541 OG SER A 36 -0.669 -0.552 -4.802 1.00 0.00 O ATOM 0 H SER A 36 -1.890 1.964 -7.488 1.00 0.00 H new ATOM 0 HA SER A 36 -1.926 -0.966 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.570 1.242 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.894 1.119 -4.698 1.00 0.00 H new ATOM 0 HG SER A 36 -0.082 -0.228 -4.087 1.00 0.00 H new ATOM 547 N GLY A 37 -4.543 0.689 -6.689 1.00 0.00 N ATOM 548 CA GLY A 37 -5.964 0.678 -6.267 1.00 0.00 C ATOM 549 C GLY A 37 -6.827 1.317 -7.356 1.00 0.00 C ATOM 550 O GLY A 37 -6.647 2.478 -7.665 1.00 0.00 O ATOM 0 H GLY A 37 -4.329 1.312 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.291 -0.345 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.080 1.223 -5.330 1.00 0.00 H new ATOM 554 N THR A 38 -7.748 0.598 -7.973 1.00 0.00 N ATOM 555 CA THR A 38 -8.544 1.250 -9.045 1.00 0.00 C ATOM 556 C THR A 38 -9.608 2.163 -8.433 1.00 0.00 C ATOM 557 O THR A 38 -10.146 3.037 -9.090 1.00 0.00 O ATOM 558 CB THR A 38 -9.165 0.101 -9.854 1.00 0.00 C ATOM 559 OG1 THR A 38 -8.125 -0.622 -10.505 1.00 0.00 O ATOM 560 CG2 THR A 38 -10.126 0.658 -10.910 1.00 0.00 C ATOM 0 H THR A 38 -7.969 -0.379 -7.781 1.00 0.00 H new ATOM 0 HA THR A 38 -7.935 1.887 -9.687 1.00 0.00 H new ATOM 0 HB THR A 38 -9.717 -0.555 -9.181 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.423 -1.540 -10.677 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.560 -0.165 -11.477 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.921 1.219 -10.419 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.581 1.317 -11.586 1.00 0.00 H new ATOM 568 N LYS A 39 -9.930 1.931 -7.187 1.00 0.00 N ATOM 569 CA LYS A 39 -10.976 2.720 -6.467 1.00 0.00 C ATOM 570 C LYS A 39 -12.334 2.230 -6.947 1.00 0.00 C ATOM 571 O LYS A 39 -13.139 1.745 -6.175 1.00 0.00 O ATOM 572 CB LYS A 39 -10.782 4.211 -6.774 1.00 0.00 C ATOM 573 CG LYS A 39 -11.753 5.026 -5.905 1.00 0.00 C ATOM 574 CD LYS A 39 -12.936 5.504 -6.756 1.00 0.00 C ATOM 575 CE LYS A 39 -14.052 6.024 -5.838 1.00 0.00 C ATOM 576 NZ LYS A 39 -15.134 4.993 -5.905 1.00 0.00 N ATOM 0 H LYS A 39 -9.496 1.203 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.904 2.588 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.753 4.508 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.966 4.406 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.112 4.417 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.236 5.882 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.613 6.292 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.309 4.685 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.693 6.151 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.414 6.996 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.929 5.284 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.463 4.898 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.764 4.079 -5.574 1.00 0.00 H new ATOM 590 N ALA A 40 -12.561 2.283 -8.234 1.00 0.00 N ATOM 591 CA ALA A 40 -13.825 1.729 -8.776 1.00 0.00 C ATOM 592 C ALA A 40 -13.760 0.208 -8.582 1.00 0.00 C ATOM 593 O ALA A 40 -14.764 -0.478 -8.590 1.00 0.00 O ATOM 594 CB ALA A 40 -13.834 2.094 -10.263 1.00 0.00 C ATOM 0 H ALA A 40 -11.927 2.684 -8.925 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.723 2.112 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.744 1.713 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.798 3.178 -10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.966 1.651 -10.752 1.00 0.00 H new ATOM 600 N ASN A 41 -12.561 -0.316 -8.391 1.00 0.00 N ATOM 601 CA ASN A 41 -12.391 -1.777 -8.174 1.00 0.00 C ATOM 602 C ASN A 41 -11.057 -2.062 -7.465 1.00 0.00 C ATOM 603 O ASN A 41 -10.175 -2.628 -8.054 1.00 0.00 O ATOM 604 CB ASN A 41 -12.305 -2.317 -9.598 1.00 0.00 C ATOM 605 CG ASN A 41 -13.397 -3.365 -9.838 1.00 0.00 C ATOM 606 OD1 ASN A 41 -13.121 -4.457 -10.285 1.00 0.00 O ATOM 607 ND2 ASN A 41 -14.640 -3.069 -9.568 1.00 0.00 N ATOM 0 H ASN A 41 -11.694 0.221 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.185 -2.212 -7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.413 -1.500 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.323 -2.760 -9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -15.375 -3.756 -9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.875 -2.151 -9.192 1.00 0.00 H new ATOM 614 N PRO A 42 -10.942 -1.673 -6.229 1.00 0.00 N ATOM 615 CA PRO A 42 -9.716 -1.915 -5.441 1.00 0.00 C ATOM 616 C PRO A 42 -10.030 -2.785 -4.213 1.00 0.00 C ATOM 617 O PRO A 42 -11.153 -3.194 -4.022 1.00 0.00 O ATOM 618 CB PRO A 42 -9.470 -0.535 -4.927 1.00 0.00 C ATOM 619 CG PRO A 42 -10.867 0.081 -4.823 1.00 0.00 C ATOM 620 CD PRO A 42 -11.852 -0.895 -5.440 1.00 0.00 C ATOM 0 HA PRO A 42 -8.915 -2.396 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.970 -0.554 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.833 0.034 -5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.123 0.274 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.902 1.039 -5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.376 -1.491 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.613 -0.399 -6.043 1.00 0.00 H new ATOM 628 N ASP A 43 -9.084 -2.999 -3.324 1.00 0.00 N ATOM 629 CA ASP A 43 -9.436 -3.784 -2.087 1.00 0.00 C ATOM 630 C ASP A 43 -8.398 -3.590 -0.974 1.00 0.00 C ATOM 631 O ASP A 43 -7.500 -2.776 -1.079 1.00 0.00 O ATOM 632 CB ASP A 43 -9.542 -5.260 -2.502 1.00 0.00 C ATOM 633 CG ASP A 43 -10.441 -5.998 -1.497 1.00 0.00 C ATOM 634 OD1 ASP A 43 -11.642 -6.011 -1.695 1.00 0.00 O ATOM 635 OD2 ASP A 43 -9.909 -6.513 -0.525 1.00 0.00 O ATOM 0 H ASP A 43 -8.118 -2.679 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.382 -3.432 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.956 -5.340 -3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.552 -5.716 -2.528 1.00 0.00 H new ATOM 640 N ILE A 44 -8.540 -4.330 0.092 1.00 0.00 N ATOM 641 CA ILE A 44 -7.596 -4.233 1.239 1.00 0.00 C ATOM 642 C ILE A 44 -7.089 -5.634 1.565 1.00 0.00 C ATOM 643 O ILE A 44 -7.865 -6.536 1.829 1.00 0.00 O ATOM 644 CB ILE A 44 -8.401 -3.651 2.432 1.00 0.00 C ATOM 645 CG1 ILE A 44 -8.010 -4.360 3.744 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.909 -3.839 2.222 1.00 0.00 C ATOM 647 CD1 ILE A 44 -6.499 -4.263 3.977 1.00 0.00 C ATOM 0 H ILE A 44 -9.288 -5.012 0.217 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.739 -3.597 1.018 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.167 -2.588 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.543 -3.908 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.311 -5.407 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.449 -3.423 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.216 -3.326 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.134 -4.902 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.241 -4.769 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.972 -4.736 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.207 -3.215 4.041 1.00 0.00 H new ATOM 659 N ILE A 45 -5.803 -5.830 1.560 1.00 0.00 N ATOM 660 CA ILE A 45 -5.273 -7.176 1.891 1.00 0.00 C ATOM 661 C ILE A 45 -3.773 -7.101 2.158 1.00 0.00 C ATOM 662 O ILE A 45 -3.135 -6.091 1.917 1.00 0.00 O ATOM 663 CB ILE A 45 -5.585 -8.046 0.666 1.00 0.00 C ATOM 664 CG1 ILE A 45 -5.223 -9.500 0.980 1.00 0.00 C ATOM 665 CG2 ILE A 45 -4.775 -7.566 -0.543 1.00 0.00 C ATOM 666 CD1 ILE A 45 -6.109 -10.438 0.164 1.00 0.00 C ATOM 0 H ILE A 45 -5.101 -5.122 1.343 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.724 -7.591 2.793 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.647 -7.970 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.174 -9.682 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.353 -9.696 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.005 -8.191 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.033 -6.531 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.711 -7.635 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.849 -11.472 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.155 -10.263 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.957 -10.249 -0.899 1.00 0.00 H new ATOM 678 N ARG A 46 -3.204 -8.168 2.642 1.00 0.00 N ATOM 679 CA ARG A 46 -1.744 -8.174 2.910 1.00 0.00 C ATOM 680 C ARG A 46 -0.994 -8.366 1.587 1.00 0.00 C ATOM 681 O ARG A 46 -0.840 -9.474 1.102 1.00 0.00 O ATOM 682 CB ARG A 46 -1.513 -9.362 3.855 1.00 0.00 C ATOM 683 CG ARG A 46 -2.290 -9.147 5.160 1.00 0.00 C ATOM 684 CD ARG A 46 -2.957 -10.458 5.592 1.00 0.00 C ATOM 685 NE ARG A 46 -2.051 -11.029 6.632 1.00 0.00 N ATOM 686 CZ ARG A 46 -2.552 -11.538 7.726 1.00 0.00 C ATOM 687 NH1 ARG A 46 -3.118 -12.716 7.696 1.00 0.00 N ATOM 688 NH2 ARG A 46 -2.496 -10.859 8.842 1.00 0.00 N ATOM 0 H ARG A 46 -3.690 -9.037 2.863 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.387 -7.245 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.836 -10.287 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.449 -9.468 4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.616 -8.797 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.045 -8.373 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.955 -10.280 5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.069 -11.140 4.749 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.041 -11.022 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.168 -13.236 6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.510 -13.115 8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.062 -9.936 8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.886 -11.252 9.698 1.00 0.00 H new ATOM 702 N LEU A 47 -0.516 -7.293 1.009 1.00 0.00 N ATOM 703 CA LEU A 47 0.239 -7.397 -0.280 1.00 0.00 C ATOM 704 C LEU A 47 1.577 -8.064 0.019 1.00 0.00 C ATOM 705 O LEU A 47 2.508 -7.424 0.473 1.00 0.00 O ATOM 706 CB LEU A 47 0.474 -5.946 -0.739 1.00 0.00 C ATOM 707 CG LEU A 47 -0.726 -5.407 -1.532 1.00 0.00 C ATOM 708 CD1 LEU A 47 -2.001 -5.478 -0.690 1.00 0.00 C ATOM 709 CD2 LEU A 47 -0.459 -3.945 -1.908 1.00 0.00 C ATOM 0 H LEU A 47 -0.616 -6.346 1.374 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.288 -7.973 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.652 -5.312 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.371 -5.899 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.859 -6.014 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.841 -5.092 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.197 -6.514 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.875 -4.879 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.306 -3.554 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.323 -3.355 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.442 -3.885 -2.519 1.00 0.00 H new ATOM 721 N ARG A 48 1.679 -9.345 -0.189 1.00 0.00 N ATOM 722 CA ARG A 48 2.957 -10.039 0.133 1.00 0.00 C ATOM 723 C ARG A 48 3.528 -10.779 -1.084 1.00 0.00 C ATOM 724 O ARG A 48 2.958 -10.775 -2.155 1.00 0.00 O ATOM 725 CB ARG A 48 2.589 -11.035 1.246 1.00 0.00 C ATOM 726 CG ARG A 48 1.785 -12.207 0.662 1.00 0.00 C ATOM 727 CD ARG A 48 0.735 -12.673 1.678 1.00 0.00 C ATOM 728 NE ARG A 48 0.333 -14.043 1.231 1.00 0.00 N ATOM 729 CZ ARG A 48 -0.933 -14.369 1.185 1.00 0.00 C ATOM 730 NH1 ARG A 48 -1.741 -13.719 0.391 1.00 0.00 N ATOM 731 NH2 ARG A 48 -1.383 -15.344 1.932 1.00 0.00 N ATOM 0 H ARG A 48 0.940 -9.939 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 48 3.729 -9.332 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.494 -11.408 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.005 -10.532 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.298 -11.901 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.454 -13.031 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.146 -12.694 2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.121 -11.998 1.696 1.00 0.00 H new ATOM 0 HE ARG A 48 1.045 -14.722 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.384 -12.960 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.729 -13.970 0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.747 -15.849 2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.370 -15.599 1.897 1.00 0.00 H new ATOM 745 N GLU A 49 4.642 -11.438 -0.891 1.00 0.00 N ATOM 746 CA GLU A 49 5.292 -12.225 -1.970 1.00 0.00 C ATOM 747 C GLU A 49 6.014 -13.361 -1.265 1.00 0.00 C ATOM 748 O GLU A 49 6.668 -13.143 -0.254 1.00 0.00 O ATOM 749 CB GLU A 49 6.285 -11.276 -2.652 1.00 0.00 C ATOM 750 CG GLU A 49 6.189 -11.430 -4.173 1.00 0.00 C ATOM 751 CD GLU A 49 7.082 -12.581 -4.636 1.00 0.00 C ATOM 752 OE1 GLU A 49 8.248 -12.331 -4.902 1.00 0.00 O ATOM 753 OE2 GLU A 49 6.587 -13.692 -4.713 1.00 0.00 O ATOM 0 H GLU A 49 5.139 -11.460 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 49 4.606 -12.626 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.071 -10.246 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.299 -11.495 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.156 -11.620 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.492 -10.504 -4.661 1.00 0.00 H new ATOM 760 N ARG A 50 5.874 -14.567 -1.716 1.00 0.00 N ATOM 761 CA ARG A 50 6.536 -15.673 -0.976 1.00 0.00 C ATOM 762 C ARG A 50 7.966 -15.896 -1.479 1.00 0.00 C ATOM 763 O ARG A 50 8.455 -15.181 -2.333 1.00 0.00 O ATOM 764 CB ARG A 50 5.656 -16.908 -1.199 1.00 0.00 C ATOM 765 CG ARG A 50 4.292 -16.708 -0.519 1.00 0.00 C ATOM 766 CD ARG A 50 4.486 -16.312 0.955 1.00 0.00 C ATOM 767 NE ARG A 50 4.266 -14.833 1.000 1.00 0.00 N ATOM 768 CZ ARG A 50 4.627 -14.147 2.051 1.00 0.00 C ATOM 769 NH1 ARG A 50 3.910 -14.206 3.143 1.00 0.00 N ATOM 770 NH2 ARG A 50 5.690 -13.390 1.998 1.00 0.00 N ATOM 0 H ARG A 50 5.344 -14.836 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 50 6.630 -15.447 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.518 -17.079 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.147 -17.793 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.728 -15.934 -1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.708 -17.626 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.778 -16.834 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.486 -16.572 1.303 1.00 0.00 H new ATOM 0 HE ARG A 50 3.833 -14.359 0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.072 -14.786 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.189 -13.672 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.235 -13.336 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.975 -12.853 2.817 1.00 0.00 H new ATOM 784 N GLY A 51 8.656 -16.868 -0.934 1.00 0.00 N ATOM 785 CA GLY A 51 10.065 -17.117 -1.363 1.00 0.00 C ATOM 786 C GLY A 51 10.967 -16.078 -0.697 1.00 0.00 C ATOM 787 O GLY A 51 11.871 -16.410 0.046 1.00 0.00 O ATOM 0 H GLY A 51 8.304 -17.498 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.374 -18.123 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.148 -17.050 -2.448 1.00 0.00 H new ATOM 791 N THR A 52 10.708 -14.818 -0.940 1.00 0.00 N ATOM 792 CA THR A 52 11.525 -13.741 -0.304 1.00 0.00 C ATOM 793 C THR A 52 10.711 -13.084 0.819 1.00 0.00 C ATOM 794 O THR A 52 9.579 -13.455 1.076 1.00 0.00 O ATOM 795 CB THR A 52 11.836 -12.730 -1.424 1.00 0.00 C ATOM 796 OG1 THR A 52 10.682 -12.523 -2.243 1.00 0.00 O ATOM 797 CG2 THR A 52 12.989 -13.256 -2.284 1.00 0.00 C ATOM 0 H THR A 52 9.963 -14.488 -1.554 1.00 0.00 H new ATOM 0 HA THR A 52 12.445 -14.123 0.138 1.00 0.00 H new ATOM 0 HB THR A 52 12.120 -11.780 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.764 -13.052 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.208 -12.540 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.874 -13.392 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.706 -14.211 -2.726 1.00 0.00 H new ATOM 805 N LYS A 53 11.264 -12.103 1.482 1.00 0.00 N ATOM 806 CA LYS A 53 10.517 -11.428 2.560 1.00 0.00 C ATOM 807 C LYS A 53 9.743 -10.274 1.950 1.00 0.00 C ATOM 808 O LYS A 53 10.269 -9.224 1.670 1.00 0.00 O ATOM 809 CB LYS A 53 11.571 -10.932 3.558 1.00 0.00 C ATOM 810 CG LYS A 53 11.704 -11.934 4.709 1.00 0.00 C ATOM 811 CD LYS A 53 12.545 -13.131 4.257 1.00 0.00 C ATOM 812 CE LYS A 53 13.124 -13.844 5.485 1.00 0.00 C ATOM 813 NZ LYS A 53 12.356 -15.123 5.605 1.00 0.00 N ATOM 0 H LYS A 53 12.205 -11.746 1.316 1.00 0.00 H new ATOM 0 HA LYS A 53 9.804 -12.081 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.531 -10.810 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.287 -9.954 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.170 -11.454 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.717 -12.270 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.932 -13.822 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.351 -12.796 3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.190 -14.037 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.013 -13.234 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.702 -15.660 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.346 -14.911 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.486 -15.688 4.742 1.00 0.00 H new ATOM 827 N LYS A 54 8.503 -10.477 1.701 1.00 0.00 N ATOM 828 CA LYS A 54 7.690 -9.393 1.088 1.00 0.00 C ATOM 829 C LYS A 54 6.262 -9.425 1.649 1.00 0.00 C ATOM 830 O LYS A 54 5.481 -10.297 1.323 1.00 0.00 O ATOM 831 CB LYS A 54 7.710 -9.698 -0.411 1.00 0.00 C ATOM 832 CG LYS A 54 8.454 -8.590 -1.163 1.00 0.00 C ATOM 833 CD LYS A 54 9.595 -9.206 -1.982 1.00 0.00 C ATOM 834 CE LYS A 54 9.067 -9.642 -3.355 1.00 0.00 C ATOM 835 NZ LYS A 54 9.808 -10.893 -3.701 1.00 0.00 N ATOM 0 H LYS A 54 8.002 -11.345 1.891 1.00 0.00 H new ATOM 0 HA LYS A 54 8.079 -8.397 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.195 -10.658 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.690 -9.782 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.767 -8.057 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.851 -7.860 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.400 -8.482 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.014 -10.062 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.992 -9.821 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.238 -8.868 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.180 -11.535 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.631 -10.657 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.129 -11.359 -2.828 1.00 0.00 H new ATOM 849 N VAL A 55 5.929 -8.485 2.499 1.00 0.00 N ATOM 850 CA VAL A 55 4.558 -8.438 3.106 1.00 0.00 C ATOM 851 C VAL A 55 4.173 -6.984 3.429 1.00 0.00 C ATOM 852 O VAL A 55 4.811 -6.326 4.226 1.00 0.00 O ATOM 853 CB VAL A 55 4.643 -9.250 4.412 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.254 -9.344 5.050 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.155 -10.663 4.130 1.00 0.00 C ATOM 0 H VAL A 55 6.555 -7.739 2.803 1.00 0.00 H new ATOM 0 HA VAL A 55 3.809 -8.841 2.425 1.00 0.00 H new ATOM 0 HB VAL A 55 5.333 -8.746 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.316 -9.919 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.886 -8.342 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.570 -9.838 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.209 -11.223 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.474 -11.166 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.147 -10.608 3.682 1.00 0.00 H new ATOM 865 N HIS A 56 3.126 -6.490 2.828 1.00 0.00 N ATOM 866 CA HIS A 56 2.669 -5.088 3.104 1.00 0.00 C ATOM 867 C HIS A 56 1.173 -5.136 3.382 1.00 0.00 C ATOM 868 O HIS A 56 0.412 -5.518 2.520 1.00 0.00 O ATOM 869 CB HIS A 56 2.987 -4.316 1.803 1.00 0.00 C ATOM 870 CG HIS A 56 1.986 -3.199 1.530 1.00 0.00 C ATOM 871 ND1 HIS A 56 2.359 -1.844 1.530 1.00 0.00 N ATOM 872 CD2 HIS A 56 0.648 -3.212 1.173 1.00 0.00 C ATOM 873 CE1 HIS A 56 1.273 -1.120 1.176 1.00 0.00 C ATOM 874 NE2 HIS A 56 0.240 -1.916 0.954 1.00 0.00 N ATOM 0 H HIS A 56 2.559 -6.999 2.150 1.00 0.00 H new ATOM 0 HA HIS A 56 3.149 -4.614 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.989 -3.893 1.871 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.990 -5.011 0.963 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.282 -1.474 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.028 -4.092 1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.252 -0.044 1.087 1.00 0.00 H new ATOM 883 N VAL A 57 0.715 -4.768 4.552 1.00 0.00 N ATOM 884 CA VAL A 57 -0.747 -4.838 4.768 1.00 0.00 C ATOM 885 C VAL A 57 -1.302 -3.425 4.748 1.00 0.00 C ATOM 886 O VAL A 57 -0.958 -2.596 5.566 1.00 0.00 O ATOM 887 CB VAL A 57 -0.956 -5.541 6.111 1.00 0.00 C ATOM 888 CG1 VAL A 57 -2.427 -5.940 6.244 1.00 0.00 C ATOM 889 CG2 VAL A 57 -0.098 -6.809 6.170 1.00 0.00 C ATOM 0 H VAL A 57 1.273 -4.434 5.338 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.271 -5.397 3.993 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.672 -4.866 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.583 -6.442 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.052 -5.048 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.696 -6.615 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.250 -7.307 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.386 -7.481 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.953 -6.542 6.062 1.00 0.00 H new ATOM 899 N PHE A 58 -2.129 -3.143 3.787 1.00 0.00 N ATOM 900 CA PHE A 58 -2.713 -1.782 3.658 1.00 0.00 C ATOM 901 C PHE A 58 -3.941 -1.878 2.753 1.00 0.00 C ATOM 902 O PHE A 58 -4.302 -2.936 2.279 1.00 0.00 O ATOM 903 CB PHE A 58 -1.636 -0.933 2.956 1.00 0.00 C ATOM 904 CG PHE A 58 -1.100 0.222 3.804 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.809 1.446 3.933 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.162 0.096 4.403 1.00 0.00 C ATOM 907 CE1 PHE A 58 -1.251 2.504 4.658 1.00 0.00 C ATOM 908 CE2 PHE A 58 0.717 1.164 5.116 1.00 0.00 C ATOM 909 CZ PHE A 58 0.016 2.366 5.243 1.00 0.00 C ATOM 0 H PHE A 58 -2.431 -3.807 3.074 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.001 -1.355 4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.805 -1.580 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.052 -0.529 2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.779 1.560 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.709 -0.831 4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.797 3.429 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.691 1.059 5.570 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.450 3.189 5.792 1.00 0.00 H new ATOM 919 N LYS A 59 -4.545 -0.774 2.484 1.00 0.00 N ATOM 920 CA LYS A 59 -5.727 -0.743 1.566 1.00 0.00 C ATOM 921 C LYS A 59 -5.443 0.358 0.551 1.00 0.00 C ATOM 922 O LYS A 59 -5.010 1.414 0.945 1.00 0.00 O ATOM 923 CB LYS A 59 -6.934 -0.398 2.450 1.00 0.00 C ATOM 924 CG LYS A 59 -6.812 -1.109 3.807 1.00 0.00 C ATOM 925 CD LYS A 59 -8.167 -1.118 4.522 1.00 0.00 C ATOM 926 CE LYS A 59 -8.025 -1.820 5.880 1.00 0.00 C ATOM 927 NZ LYS A 59 -9.361 -2.436 6.157 1.00 0.00 N ATOM 0 H LYS A 59 -4.275 0.134 2.862 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.918 -1.677 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.990 0.680 2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.857 -0.699 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.463 -2.131 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.070 -0.604 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.522 -0.097 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.909 -1.632 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.243 -2.578 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.751 -1.111 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.230 -3.403 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.865 -1.868 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.918 -2.466 5.279 1.00 0.00 H new ATOM 941 N ALA A 60 -5.621 0.141 -0.736 1.00 0.00 N ATOM 942 CA ALA A 60 -5.264 1.243 -1.695 1.00 0.00 C ATOM 943 C ALA A 60 -6.452 1.680 -2.557 1.00 0.00 C ATOM 944 O ALA A 60 -6.897 0.964 -3.435 1.00 0.00 O ATOM 945 CB ALA A 60 -4.152 0.657 -2.566 1.00 0.00 C ATOM 0 H ALA A 60 -5.984 -0.717 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.955 2.141 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.832 1.400 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.306 0.379 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.524 -0.226 -3.086 1.00 0.00 H new ATOM 951 N TRP A 61 -6.960 2.863 -2.310 1.00 0.00 N ATOM 952 CA TRP A 61 -8.137 3.373 -3.110 1.00 0.00 C ATOM 953 C TRP A 61 -7.886 4.789 -3.613 1.00 0.00 C ATOM 954 O TRP A 61 -6.819 5.311 -3.444 1.00 0.00 O ATOM 955 CB TRP A 61 -9.312 3.350 -2.130 1.00 0.00 C ATOM 956 CG TRP A 61 -9.426 1.973 -1.600 1.00 0.00 C ATOM 957 CD1 TRP A 61 -9.317 0.890 -2.363 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.633 1.511 -0.247 1.00 0.00 C ATOM 959 NE1 TRP A 61 -9.438 -0.236 -1.584 1.00 0.00 N ATOM 960 CE2 TRP A 61 -9.657 0.097 -0.258 1.00 0.00 C ATOM 961 CE3 TRP A 61 -9.810 2.175 0.970 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -9.855 -0.634 0.911 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -10.010 1.448 2.153 1.00 0.00 C ATOM 964 CH2 TRP A 61 -10.037 0.044 2.123 1.00 0.00 C ATOM 0 H TRP A 61 -6.617 3.502 -1.593 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.322 2.764 -3.995 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.148 4.060 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.234 3.645 -2.631 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.158 0.894 -3.431 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.375 -1.191 -1.936 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.793 3.254 1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.868 -1.714 0.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.144 1.969 3.089 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.198 -0.513 3.034 1.00 0.00 H new ATOM 975 N LYS A 62 -8.864 5.422 -4.222 1.00 0.00 N ATOM 976 CA LYS A 62 -8.647 6.823 -4.703 1.00 0.00 C ATOM 977 C LYS A 62 -9.551 7.786 -3.927 1.00 0.00 C ATOM 978 O LYS A 62 -10.680 8.049 -4.315 1.00 0.00 O ATOM 979 CB LYS A 62 -8.993 6.834 -6.198 1.00 0.00 C ATOM 980 CG LYS A 62 -8.642 8.207 -6.795 1.00 0.00 C ATOM 981 CD LYS A 62 -9.930 8.987 -7.109 1.00 0.00 C ATOM 982 CE LYS A 62 -10.027 10.235 -6.213 1.00 0.00 C ATOM 983 NZ LYS A 62 -11.295 10.067 -5.441 1.00 0.00 N ATOM 0 H LYS A 62 -9.790 5.034 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.617 7.145 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.442 6.049 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.053 6.625 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.027 8.771 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.054 8.078 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.939 9.282 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.799 8.348 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.167 10.309 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.047 11.147 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.344 10.787 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.108 10.176 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.317 9.120 -5.012 1.00 0.00 H new ATOM 997 N GLU A 63 -9.043 8.328 -2.850 1.00 0.00 N ATOM 998 CA GLU A 63 -9.813 9.311 -2.028 1.00 0.00 C ATOM 999 C GLU A 63 -8.892 9.955 -0.949 1.00 0.00 C ATOM 1000 O GLU A 63 -7.800 9.497 -0.692 1.00 0.00 O ATOM 1001 CB GLU A 63 -10.976 8.522 -1.443 1.00 0.00 C ATOM 1002 CG GLU A 63 -12.207 9.432 -1.335 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.564 9.970 -2.725 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -13.269 9.282 -3.443 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.105 11.054 -3.062 1.00 0.00 O ATOM 0 H GLU A 63 -8.107 8.126 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.191 10.152 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.200 7.662 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.709 8.135 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.048 8.877 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.004 10.258 -0.654 1.00 0.00 H new ATOM 1012 N ILE A 64 -9.295 11.048 -0.359 1.00 0.00 N ATOM 1013 CA ILE A 64 -8.395 11.777 0.625 1.00 0.00 C ATOM 1014 C ILE A 64 -8.144 11.074 1.988 1.00 0.00 C ATOM 1015 O ILE A 64 -8.896 11.270 2.928 1.00 0.00 O ATOM 1016 CB ILE A 64 -9.135 13.115 0.852 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -8.378 13.977 1.868 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -10.554 12.857 1.377 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -8.666 15.455 1.593 1.00 0.00 C ATOM 0 H ILE A 64 -10.207 11.480 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.390 11.850 0.209 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.189 13.639 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.684 13.718 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.307 13.784 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.063 13.808 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.108 12.263 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.500 12.316 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.129 16.071 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.338 15.708 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.736 15.640 1.684 1.00 0.00 H new ATOM 1031 N VAL A 65 -7.068 10.300 2.142 1.00 0.00 N ATOM 1032 CA VAL A 65 -6.800 9.691 3.467 1.00 0.00 C ATOM 1033 C VAL A 65 -5.774 10.548 4.213 1.00 0.00 C ATOM 1034 O VAL A 65 -5.518 11.697 3.893 1.00 0.00 O ATOM 1035 CB VAL A 65 -6.250 8.274 3.202 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -4.736 8.298 2.952 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -6.567 7.354 4.389 1.00 0.00 C ATOM 0 H VAL A 65 -6.391 10.081 1.411 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.699 9.636 4.081 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.736 7.890 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.381 7.284 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.520 8.920 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.229 8.707 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.174 6.357 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.105 7.753 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.647 7.298 4.528 1.00 0.00 H new ATOM 1047 N ASP A 66 -5.181 9.950 5.179 1.00 0.00 N ATOM 1048 CA ASP A 66 -4.127 10.598 6.000 1.00 0.00 C ATOM 1049 C ASP A 66 -2.824 9.827 5.766 1.00 0.00 C ATOM 1050 O ASP A 66 -2.848 8.624 5.646 1.00 0.00 O ATOM 1051 CB ASP A 66 -4.594 10.463 7.457 1.00 0.00 C ATOM 1052 CG ASP A 66 -4.113 11.672 8.263 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -4.784 12.694 8.232 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -3.077 11.568 8.895 1.00 0.00 O ATOM 0 H ASP A 66 -5.387 8.990 5.455 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.960 11.646 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.681 10.396 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.202 9.544 7.892 1.00 0.00 H new ATOM 1059 N ALA A 67 -1.707 10.503 5.667 1.00 0.00 N ATOM 1060 CA ALA A 67 -0.396 9.821 5.396 1.00 0.00 C ATOM 1061 C ALA A 67 -0.079 8.789 6.466 1.00 0.00 C ATOM 1062 O ALA A 67 0.364 9.170 7.503 1.00 0.00 O ATOM 1063 CB ALA A 67 0.629 10.948 5.513 1.00 0.00 C ATOM 0 H ALA A 67 -1.643 11.516 5.764 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.403 9.308 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.628 10.552 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.406 11.721 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.586 11.377 6.514 1.00 0.00 H new ATOM 1069 N PRO A 68 -0.317 7.521 6.182 1.00 0.00 N ATOM 1070 CA PRO A 68 -0.076 6.452 7.194 1.00 0.00 C ATOM 1071 C PRO A 68 1.417 6.123 7.353 1.00 0.00 C ATOM 1072 O PRO A 68 1.923 5.179 6.768 1.00 0.00 O ATOM 1073 CB PRO A 68 -0.833 5.256 6.626 1.00 0.00 C ATOM 1074 CG PRO A 68 -0.889 5.489 5.149 1.00 0.00 C ATOM 1075 CD PRO A 68 -0.804 6.970 4.911 1.00 0.00 C ATOM 0 HA PRO A 68 -0.405 6.748 8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.322 4.321 6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.834 5.186 7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.067 4.975 4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.814 5.089 4.734 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.123 7.202 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.776 7.385 4.645 1.00 0.00 H new ATOM 1083 N LYS A 69 2.114 6.894 8.163 1.00 0.00 N ATOM 1084 CA LYS A 69 3.582 6.662 8.414 1.00 0.00 C ATOM 1085 C LYS A 69 4.324 6.300 7.118 1.00 0.00 C ATOM 1086 O LYS A 69 5.207 5.457 7.107 1.00 0.00 O ATOM 1087 CB LYS A 69 3.642 5.500 9.413 1.00 0.00 C ATOM 1088 CG LYS A 69 3.184 5.982 10.795 1.00 0.00 C ATOM 1089 CD LYS A 69 4.286 5.720 11.828 1.00 0.00 C ATOM 1090 CE LYS A 69 3.898 6.366 13.165 1.00 0.00 C ATOM 1091 NZ LYS A 69 5.153 6.382 13.976 1.00 0.00 N ATOM 0 H LYS A 69 1.722 7.688 8.669 1.00 0.00 H new ATOM 0 HA LYS A 69 4.066 7.560 8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.006 4.683 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.658 5.110 9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.951 7.046 10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.270 5.465 11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.430 4.647 11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.234 6.128 11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.513 7.375 13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.115 5.796 13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.961 6.811 14.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.493 5.408 14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.879 6.938 13.481 1.00 0.00 H new ATOM 1105 N ASN A 70 3.971 6.933 6.030 1.00 0.00 N ATOM 1106 CA ASN A 70 4.639 6.634 4.726 1.00 0.00 C ATOM 1107 C ASN A 70 6.019 7.302 4.637 1.00 0.00 C ATOM 1108 O ASN A 70 6.833 6.930 3.816 1.00 0.00 O ATOM 1109 CB ASN A 70 3.703 7.212 3.670 1.00 0.00 C ATOM 1110 CG ASN A 70 2.727 6.129 3.205 1.00 0.00 C ATOM 1111 OD1 ASN A 70 3.032 4.954 3.255 1.00 0.00 O ATOM 1112 ND2 ASN A 70 1.555 6.475 2.752 1.00 0.00 N ATOM 0 H ASN A 70 3.245 7.648 5.987 1.00 0.00 H new ATOM 0 HA ASN A 70 4.810 5.565 4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.154 8.059 4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.279 7.585 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.897 5.760 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.296 7.461 2.709 1.00 0.00 H new ATOM 1119 N ARG A 71 6.254 8.302 5.459 1.00 0.00 N ATOM 1120 CA ARG A 71 7.555 9.063 5.466 1.00 0.00 C ATOM 1121 C ARG A 71 8.066 9.347 4.040 1.00 0.00 C ATOM 1122 O ARG A 71 9.213 9.089 3.721 1.00 0.00 O ATOM 1123 CB ARG A 71 8.550 8.215 6.287 1.00 0.00 C ATOM 1124 CG ARG A 71 8.923 6.918 5.556 1.00 0.00 C ATOM 1125 CD ARG A 71 8.211 5.727 6.213 1.00 0.00 C ATOM 1126 NE ARG A 71 9.253 4.661 6.302 1.00 0.00 N ATOM 1127 CZ ARG A 71 9.999 4.547 7.377 1.00 0.00 C ATOM 1128 NH1 ARG A 71 10.690 5.569 7.806 1.00 0.00 N ATOM 1129 NH2 ARG A 71 10.043 3.412 8.023 1.00 0.00 N ATOM 0 H ARG A 71 5.578 8.634 6.147 1.00 0.00 H new ATOM 0 HA ARG A 71 7.427 10.047 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.451 8.796 6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.112 7.974 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.641 6.988 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.002 6.770 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.829 5.990 7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.359 5.398 5.618 1.00 0.00 H new ATOM 0 HE ARG A 71 9.386 4.017 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.651 6.457 7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.269 5.479 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.498 2.616 7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.622 3.323 8.858 1.00 0.00 H new ATOM 1143 N PRO A 72 7.196 9.890 3.225 1.00 0.00 N ATOM 1144 CA PRO A 72 7.548 10.234 1.844 1.00 0.00 C ATOM 1145 C PRO A 72 7.862 11.733 1.774 1.00 0.00 C ATOM 1146 O PRO A 72 6.963 12.554 1.735 1.00 0.00 O ATOM 1147 CB PRO A 72 6.257 9.920 1.102 1.00 0.00 C ATOM 1148 CG PRO A 72 5.163 10.053 2.123 1.00 0.00 C ATOM 1149 CD PRO A 72 5.800 10.234 3.476 1.00 0.00 C ATOM 0 HA PRO A 72 8.414 9.708 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.104 10.609 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.281 8.915 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.524 10.904 1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.528 9.167 2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.694 11.256 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.351 9.582 4.225 1.00 0.00 H new ATOM 1157 N ALA A 73 9.116 12.102 1.780 1.00 0.00 N ATOM 1158 CA ALA A 73 9.462 13.561 1.738 1.00 0.00 C ATOM 1159 C ALA A 73 8.855 14.255 0.516 1.00 0.00 C ATOM 1160 O ALA A 73 8.721 15.462 0.484 1.00 0.00 O ATOM 1161 CB ALA A 73 10.989 13.629 1.701 1.00 0.00 C ATOM 0 H ALA A 73 9.912 11.465 1.812 1.00 0.00 H new ATOM 0 HA ALA A 73 9.056 14.080 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.306 14.671 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.396 13.153 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.355 13.111 0.814 1.00 0.00 H new ATOM 1167 N TRP A 74 8.486 13.508 -0.475 1.00 0.00 N ATOM 1168 CA TRP A 74 7.884 14.106 -1.689 1.00 0.00 C ATOM 1169 C TRP A 74 6.405 14.430 -1.431 1.00 0.00 C ATOM 1170 O TRP A 74 5.914 15.474 -1.808 1.00 0.00 O ATOM 1171 CB TRP A 74 8.021 13.011 -2.755 1.00 0.00 C ATOM 1172 CG TRP A 74 9.442 12.527 -2.819 1.00 0.00 C ATOM 1173 CD1 TRP A 74 10.013 11.627 -1.980 1.00 0.00 C ATOM 1174 CD2 TRP A 74 10.473 12.913 -3.759 1.00 0.00 C ATOM 1175 NE1 TRP A 74 11.328 11.435 -2.361 1.00 0.00 N ATOM 1176 CE2 TRP A 74 11.658 12.207 -3.457 1.00 0.00 C ATOM 1177 CE3 TRP A 74 10.481 13.799 -4.836 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 12.820 12.381 -4.210 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 11.645 13.982 -5.600 1.00 0.00 C ATOM 1180 CH2 TRP A 74 12.813 13.272 -5.287 1.00 0.00 C ATOM 0 H TRP A 74 8.577 12.492 -0.497 1.00 0.00 H new ATOM 0 HA TRP A 74 8.364 15.037 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.356 12.180 -2.521 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.717 13.399 -3.727 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.521 11.140 -1.151 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.974 10.801 -1.891 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.585 14.349 -5.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.717 11.832 -3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.641 14.672 -6.431 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.706 13.413 -5.877 1.00 0.00 H new ATOM 1191 N MET A 75 5.697 13.530 -0.782 1.00 0.00 N ATOM 1192 CA MET A 75 4.244 13.765 -0.480 1.00 0.00 C ATOM 1193 C MET A 75 3.676 12.611 0.364 1.00 0.00 C ATOM 1194 O MET A 75 3.740 11.468 -0.051 1.00 0.00 O ATOM 1195 CB MET A 75 3.531 13.826 -1.836 1.00 0.00 C ATOM 1196 CG MET A 75 2.159 14.484 -1.661 1.00 0.00 C ATOM 1197 SD MET A 75 1.777 15.477 -3.126 1.00 0.00 S ATOM 1198 CE MET A 75 2.767 16.926 -2.681 1.00 0.00 C ATOM 0 H MET A 75 6.065 12.639 -0.447 1.00 0.00 H new ATOM 0 HA MET A 75 4.103 14.684 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.130 14.393 -2.549 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.415 12.822 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.394 13.722 -1.515 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.156 15.113 -0.771 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.106 17.756 -2.433 1.00 0.00 H new ATOM 0 HE2 MET A 75 3.391 16.689 -1.820 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.401 17.206 -3.522 1.00 0.00 H new ATOM 1208 N PRO A 76 3.128 12.949 1.509 1.00 0.00 N ATOM 1209 CA PRO A 76 2.524 11.932 2.417 1.00 0.00 C ATOM 1210 C PRO A 76 1.097 11.600 1.997 1.00 0.00 C ATOM 1211 O PRO A 76 0.573 12.179 1.063 1.00 0.00 O ATOM 1212 CB PRO A 76 2.561 12.624 3.774 1.00 0.00 C ATOM 1213 CG PRO A 76 2.564 14.097 3.488 1.00 0.00 C ATOM 1214 CD PRO A 76 3.029 14.302 2.067 1.00 0.00 C ATOM 0 HA PRO A 76 3.051 10.978 2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.697 12.346 4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.449 12.334 4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.566 14.512 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.224 14.617 4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.323 14.912 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.990 14.815 2.035 1.00 0.00 H new ATOM 1222 N GLU A 77 0.447 10.665 2.668 1.00 0.00 N ATOM 1223 CA GLU A 77 -0.945 10.346 2.240 1.00 0.00 C ATOM 1224 C GLU A 77 -1.948 11.258 2.941 1.00 0.00 C ATOM 1225 O GLU A 77 -3.138 11.032 2.886 1.00 0.00 O ATOM 1226 CB GLU A 77 -1.193 8.874 2.591 1.00 0.00 C ATOM 1227 CG GLU A 77 -1.673 8.064 1.368 1.00 0.00 C ATOM 1228 CD GLU A 77 -2.127 8.978 0.212 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -3.243 9.462 0.272 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -1.349 9.176 -0.714 1.00 0.00 O ATOM 0 H GLU A 77 0.809 10.134 3.460 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.071 10.509 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.275 8.434 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.938 8.810 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.867 7.416 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.498 7.416 1.663 1.00 0.00 H new ATOM 1237 N LYS A 78 -1.491 12.308 3.578 1.00 0.00 N ATOM 1238 CA LYS A 78 -2.471 13.222 4.240 1.00 0.00 C ATOM 1239 C LYS A 78 -2.995 14.156 3.177 1.00 0.00 C ATOM 1240 O LYS A 78 -2.535 15.277 3.041 1.00 0.00 O ATOM 1241 CB LYS A 78 -1.674 13.982 5.307 1.00 0.00 C ATOM 1242 CG LYS A 78 -2.385 13.871 6.656 1.00 0.00 C ATOM 1243 CD LYS A 78 -1.816 14.919 7.611 1.00 0.00 C ATOM 1244 CE LYS A 78 -2.363 14.695 9.030 1.00 0.00 C ATOM 1245 NZ LYS A 78 -3.841 14.897 8.932 1.00 0.00 N ATOM 0 H LYS A 78 -0.509 12.567 3.667 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.315 12.709 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.666 13.574 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.574 15.029 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.457 14.021 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.250 12.872 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.728 14.861 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.080 15.918 7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.128 13.692 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.918 15.396 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.230 15.079 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.040 15.710 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.282 14.043 8.534 1.00 0.00 H new ATOM 1259 N ILE A 79 -3.932 13.690 2.385 1.00 0.00 N ATOM 1260 CA ILE A 79 -4.439 14.574 1.281 1.00 0.00 C ATOM 1261 C ILE A 79 -5.484 13.869 0.422 1.00 0.00 C ATOM 1262 O ILE A 79 -5.639 12.666 0.482 1.00 0.00 O ATOM 1263 CB ILE A 79 -3.173 14.897 0.436 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -3.527 15.140 -1.038 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -2.157 13.735 0.512 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -2.267 15.547 -1.806 1.00 0.00 C ATOM 0 H ILE A 79 -4.358 12.765 2.448 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.931 15.464 1.673 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.735 15.804 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.955 14.237 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.282 15.922 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.279 13.980 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.859 13.580 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.616 12.825 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.519 15.719 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.858 16.461 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.526 14.751 -1.737 1.00 0.00 H new ATOM 1278 N SER A 80 -6.132 14.608 -0.450 1.00 0.00 N ATOM 1279 CA SER A 80 -7.097 13.982 -1.406 1.00 0.00 C ATOM 1280 C SER A 80 -6.218 13.172 -2.347 1.00 0.00 C ATOM 1281 O SER A 80 -5.451 13.729 -3.112 1.00 0.00 O ATOM 1282 CB SER A 80 -7.792 15.143 -2.139 1.00 0.00 C ATOM 1283 OG SER A 80 -7.254 16.389 -1.696 1.00 0.00 O ATOM 0 H SER A 80 -6.032 15.619 -0.539 1.00 0.00 H new ATOM 0 HA SER A 80 -7.860 13.348 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.654 15.040 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.865 15.113 -1.951 1.00 0.00 H new ATOM 0 HG SER A 80 -7.699 17.124 -2.168 1.00 0.00 H new ATOM 1289 N LYS A 81 -6.223 11.870 -2.216 1.00 0.00 N ATOM 1290 CA LYS A 81 -5.268 11.058 -3.016 1.00 0.00 C ATOM 1291 C LYS A 81 -5.707 9.605 -2.977 1.00 0.00 C ATOM 1292 O LYS A 81 -6.856 9.353 -2.775 1.00 0.00 O ATOM 1293 CB LYS A 81 -3.953 11.286 -2.267 1.00 0.00 C ATOM 1294 CG LYS A 81 -2.960 11.960 -3.199 1.00 0.00 C ATOM 1295 CD LYS A 81 -1.658 12.241 -2.445 1.00 0.00 C ATOM 1296 CE LYS A 81 -0.527 11.391 -3.032 1.00 0.00 C ATOM 1297 NZ LYS A 81 -0.456 11.754 -4.484 1.00 0.00 N ATOM 0 H LYS A 81 -6.840 11.343 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.196 11.321 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.124 11.907 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.552 10.336 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.763 11.322 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.379 12.891 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.406 13.299 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.784 12.015 -1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.418 11.598 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.730 10.328 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.944 11.029 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.914 12.675 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.540 11.810 -4.780 1.00 0.00 H new ATOM 1311 N PRO A 82 -4.816 8.676 -3.175 1.00 0.00 N ATOM 1312 CA PRO A 82 -5.253 7.281 -3.092 1.00 0.00 C ATOM 1313 C PRO A 82 -5.381 6.888 -1.606 1.00 0.00 C ATOM 1314 O PRO A 82 -4.434 7.032 -0.859 1.00 0.00 O ATOM 1315 CB PRO A 82 -4.130 6.506 -3.772 1.00 0.00 C ATOM 1316 CG PRO A 82 -2.917 7.369 -3.627 1.00 0.00 C ATOM 1317 CD PRO A 82 -3.385 8.794 -3.496 1.00 0.00 C ATOM 0 HA PRO A 82 -6.219 7.089 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.981 5.534 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.359 6.320 -4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.339 7.074 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.263 7.259 -4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.843 9.321 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.229 9.351 -4.420 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.525 6.394 -1.149 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.608 6.015 0.293 1.00 0.00 C ATOM 1327 C PHE A 83 -5.593 4.929 0.553 1.00 0.00 C ATOM 1328 O PHE A 83 -5.349 4.068 -0.275 1.00 0.00 O ATOM 1329 CB PHE A 83 -7.977 5.384 0.550 1.00 0.00 C ATOM 1330 CG PHE A 83 -9.044 6.396 0.891 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.710 7.719 1.169 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.390 5.998 0.925 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -9.701 8.632 1.474 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -11.382 6.932 1.226 1.00 0.00 C ATOM 1335 CZ PHE A 83 -11.021 8.253 1.501 1.00 0.00 C ATOM 0 H PHE A 83 -7.371 6.245 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.441 6.893 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.284 4.826 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.892 4.667 1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.676 8.031 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.657 4.972 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.435 9.655 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.420 6.636 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.784 8.980 1.736 1.00 0.00 H new ATOM 1345 N VAL A 84 -5.039 4.945 1.706 1.00 0.00 N ATOM 1346 CA VAL A 84 -4.060 3.902 2.069 1.00 0.00 C ATOM 1347 C VAL A 84 -4.254 3.567 3.545 1.00 0.00 C ATOM 1348 O VAL A 84 -3.719 4.226 4.420 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.660 4.492 1.800 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -1.657 3.355 1.585 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -2.678 5.355 0.537 1.00 0.00 C ATOM 0 H VAL A 84 -5.219 5.642 2.429 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.183 2.985 1.492 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.374 5.100 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.668 3.773 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.621 2.728 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.967 2.753 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.683 5.764 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.976 4.745 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.388 6.172 0.665 1.00 0.00 H new ATOM 1361 N LYS A 85 -5.022 2.553 3.835 1.00 0.00 N ATOM 1362 CA LYS A 85 -5.240 2.186 5.271 1.00 0.00 C ATOM 1363 C LYS A 85 -4.135 1.223 5.682 1.00 0.00 C ATOM 1364 O LYS A 85 -3.989 0.171 5.104 1.00 0.00 O ATOM 1365 CB LYS A 85 -6.624 1.541 5.340 1.00 0.00 C ATOM 1366 CG LYS A 85 -7.673 2.617 5.642 1.00 0.00 C ATOM 1367 CD LYS A 85 -7.413 3.218 7.029 1.00 0.00 C ATOM 1368 CE LYS A 85 -8.746 3.558 7.703 1.00 0.00 C ATOM 1369 NZ LYS A 85 -8.739 5.042 7.871 1.00 0.00 N ATOM 0 H LYS A 85 -5.504 1.967 3.153 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.204 3.039 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.855 1.047 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.641 0.773 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.635 3.399 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.673 2.185 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.854 2.512 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.801 4.115 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.589 3.236 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.839 3.054 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.624 5.344 8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.931 5.320 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.657 5.496 6.939 1.00 0.00 H new ATOM 1383 N LYS A 86 -3.317 1.616 6.625 1.00 0.00 N ATOM 1384 CA LYS A 86 -2.172 0.817 7.036 1.00 0.00 C ATOM 1385 C LYS A 86 -2.532 -0.407 7.837 1.00 0.00 C ATOM 1386 O LYS A 86 -3.585 -0.557 8.423 1.00 0.00 O ATOM 1387 CB LYS A 86 -1.314 1.764 7.898 1.00 0.00 C ATOM 1388 CG LYS A 86 -2.130 2.298 9.090 1.00 0.00 C ATOM 1389 CD LYS A 86 -1.671 1.623 10.388 1.00 0.00 C ATOM 1390 CE LYS A 86 -2.558 0.403 10.668 1.00 0.00 C ATOM 1391 NZ LYS A 86 -2.621 0.283 12.155 1.00 0.00 N ATOM 0 H LYS A 86 -3.418 2.495 7.133 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.660 0.434 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.432 1.236 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.959 2.597 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.007 3.378 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.191 2.109 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.628 1.317 10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.730 2.327 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.553 0.536 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.138 -0.498 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.213 -0.532 12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.662 0.148 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.033 1.150 12.556 1.00 0.00 H new ATOM 1405 N GLU A 87 -1.565 -1.231 7.851 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.561 -2.529 8.594 1.00 0.00 C ATOM 1407 C GLU A 87 -0.101 -3.038 8.652 1.00 0.00 C ATOM 1408 O GLU A 87 0.734 -2.660 7.830 1.00 0.00 O ATOM 1409 CB GLU A 87 -2.485 -3.477 7.834 1.00 0.00 C ATOM 1410 CG GLU A 87 -3.835 -3.546 8.558 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.801 -4.442 7.785 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -5.483 -3.928 6.914 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -4.852 -5.622 8.084 1.00 0.00 O ATOM 0 H GLU A 87 -0.697 -1.062 7.342 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.920 -2.441 9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.624 -3.127 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.039 -4.470 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.696 -3.934 9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.255 -2.545 8.656 1.00 0.00 H new ATOM 1420 N ARG A 88 0.223 -3.857 9.627 1.00 0.00 N ATOM 1421 CA ARG A 88 1.646 -4.320 9.809 1.00 0.00 C ATOM 1422 C ARG A 88 2.296 -4.789 8.502 1.00 0.00 C ATOM 1423 O ARG A 88 1.736 -5.542 7.737 1.00 0.00 O ATOM 1424 CB ARG A 88 1.561 -5.482 10.801 1.00 0.00 C ATOM 1425 CG ARG A 88 2.882 -5.606 11.569 1.00 0.00 C ATOM 1426 CD ARG A 88 3.760 -6.679 10.916 1.00 0.00 C ATOM 1427 NE ARG A 88 5.165 -6.232 11.152 1.00 0.00 N ATOM 1428 CZ ARG A 88 5.775 -6.552 12.263 1.00 0.00 C ATOM 1429 NH1 ARG A 88 6.205 -7.772 12.439 1.00 0.00 N ATOM 1430 NH2 ARG A 88 5.946 -5.654 13.198 1.00 0.00 N ATOM 0 H ARG A 88 -0.438 -4.228 10.310 1.00 0.00 H new ATOM 0 HA ARG A 88 2.270 -3.498 10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.739 -5.318 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.349 -6.410 10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.403 -4.649 11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.686 -5.866 12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.579 -7.659 11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.548 -6.766 9.850 1.00 0.00 H new ATOM 0 HE ARG A 88 5.649 -5.677 10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.065 -8.472 11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.681 -8.025 13.305 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.603 -4.703 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.422 -5.904 14.065 1.00 0.00 H new ATOM 1444 N ILE A 89 3.497 -4.313 8.261 1.00 0.00 N ATOM 1445 CA ILE A 89 4.239 -4.672 7.017 1.00 0.00 C ATOM 1446 C ILE A 89 5.583 -5.332 7.368 1.00 0.00 C ATOM 1447 O ILE A 89 6.257 -4.937 8.304 1.00 0.00 O ATOM 1448 CB ILE A 89 4.467 -3.324 6.310 1.00 0.00 C ATOM 1449 CG1 ILE A 89 3.120 -2.738 5.876 1.00 0.00 C ATOM 1450 CG2 ILE A 89 5.355 -3.506 5.076 1.00 0.00 C ATOM 1451 CD1 ILE A 89 3.061 -1.257 6.248 1.00 0.00 C ATOM 0 H ILE A 89 3.998 -3.682 8.886 1.00 0.00 H new ATOM 0 HA ILE A 89 3.696 -5.383 6.394 1.00 0.00 H new ATOM 0 HB ILE A 89 4.962 -2.647 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.989 -2.859 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.305 -3.277 6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.505 -2.542 4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.320 -3.913 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.874 -4.193 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.102 -0.842 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.172 -1.148 7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.867 -0.723 5.745 1.00 0.00 H new ATOM 1463 N GLU A 90 5.976 -6.317 6.599 1.00 0.00 N ATOM 1464 CA GLU A 90 7.281 -7.018 6.829 1.00 0.00 C ATOM 1465 C GLU A 90 7.907 -7.335 5.466 1.00 0.00 C ATOM 1466 O GLU A 90 7.295 -7.986 4.644 1.00 0.00 O ATOM 1467 CB GLU A 90 6.940 -8.328 7.556 1.00 0.00 C ATOM 1468 CG GLU A 90 6.020 -8.060 8.753 1.00 0.00 C ATOM 1469 CD GLU A 90 5.661 -9.386 9.427 1.00 0.00 C ATOM 1470 OE1 GLU A 90 5.297 -10.314 8.721 1.00 0.00 O ATOM 1471 OE2 GLU A 90 5.756 -9.449 10.643 1.00 0.00 O ATOM 0 H GLU A 90 5.439 -6.672 5.808 1.00 0.00 H new ATOM 0 HA GLU A 90 7.979 -6.415 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.455 -9.017 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.856 -8.810 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.515 -7.400 9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.115 -7.551 8.423 1.00 0.00 H new ATOM 1478 N LYS A 91 9.105 -6.885 5.197 1.00 0.00 N ATOM 1479 CA LYS A 91 9.707 -7.186 3.862 1.00 0.00 C ATOM 1480 C LYS A 91 11.190 -7.555 3.977 1.00 0.00 C ATOM 1481 O LYS A 91 11.779 -7.505 5.040 1.00 0.00 O ATOM 1482 CB LYS A 91 9.509 -5.903 3.036 1.00 0.00 C ATOM 1483 CG LYS A 91 10.603 -4.873 3.355 1.00 0.00 C ATOM 1484 CD LYS A 91 11.302 -4.456 2.057 1.00 0.00 C ATOM 1485 CE LYS A 91 12.208 -3.245 2.319 1.00 0.00 C ATOM 1486 NZ LYS A 91 13.453 -3.801 2.925 1.00 0.00 N ATOM 0 H LYS A 91 9.684 -6.333 5.829 1.00 0.00 H new ATOM 0 HA LYS A 91 9.233 -8.049 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.529 -6.143 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.529 -5.476 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.166 -4.001 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.327 -5.298 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.892 -5.286 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.560 -4.209 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.426 -2.711 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.728 -2.534 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.249 -3.161 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.327 -3.895 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.652 -4.735 2.514 1.00 0.00 H new ATOM 1500 N LEU A 92 11.783 -7.948 2.881 1.00 0.00 N ATOM 1501 CA LEU A 92 13.214 -8.349 2.885 1.00 0.00 C ATOM 1502 C LEU A 92 14.095 -7.116 3.084 1.00 0.00 C ATOM 1503 O LEU A 92 13.930 -6.098 2.427 1.00 0.00 O ATOM 1504 CB LEU A 92 13.476 -8.985 1.510 1.00 0.00 C ATOM 1505 CG LEU A 92 13.258 -7.959 0.392 1.00 0.00 C ATOM 1506 CD1 LEU A 92 14.609 -7.475 -0.140 1.00 0.00 C ATOM 1507 CD2 LEU A 92 12.474 -8.613 -0.746 1.00 0.00 C ATOM 0 H LEU A 92 11.326 -8.008 1.971 1.00 0.00 H new ATOM 0 HA LEU A 92 13.441 -9.046 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.496 -9.366 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.811 -9.837 1.364 1.00 0.00 H new ATOM 0 HG LEU A 92 12.701 -7.109 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.447 -6.746 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.174 -7.011 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.170 -8.323 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.317 -7.887 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.036 -9.462 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.509 -8.957 -0.373 1.00 0.00 H new ATOM 1519 N GLU A 93 15.017 -7.202 3.987 1.00 0.00 N ATOM 1520 CA GLU A 93 15.929 -6.051 4.260 1.00 0.00 C ATOM 1521 C GLU A 93 17.286 -6.285 3.586 1.00 0.00 C ATOM 1522 O GLU A 93 17.641 -7.437 3.385 1.00 0.00 O ATOM 1523 CB GLU A 93 16.084 -6.008 5.784 1.00 0.00 C ATOM 1524 CG GLU A 93 14.712 -5.811 6.445 1.00 0.00 C ATOM 1525 CD GLU A 93 14.197 -4.399 6.159 1.00 0.00 C ATOM 1526 OE1 GLU A 93 14.710 -3.468 6.752 1.00 0.00 O ATOM 1527 OE2 GLU A 93 13.298 -4.271 5.339 1.00 0.00 O ATOM 1528 OXT GLU A 93 17.948 -5.306 3.279 1.00 0.00 O ATOM 0 H GLU A 93 15.187 -8.028 4.560 1.00 0.00 H new ATOM 0 HA GLU A 93 15.535 -5.113 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.538 -6.933 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.753 -5.196 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.006 -6.549 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.790 -5.968 7.521 1.00 0.00 H new TER 1535 GLU A 93