USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 6 SER OG : rot -20:sc= 0.291 USER MOD Set 1.2: A 54 MET CE :methyl -176:sc= -0.102 (180deg=-0.0431) USER MOD Set 2.1: A 44 MET CE :methyl 149:sc= -0.106 (180deg=-0.248) USER MOD Set 2.2: A 99 HIS : no HE2:sc= -0.0925 K(o=-0.2,f=-3.5!) USER MOD Single : A 7 THR OG1 : rot -69:sc= 1.3 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.3) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.0284 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 77:sc= 1.33 USER MOD Single : A 23 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.2!) USER MOD Single : A 28 TYR OH : rot 27:sc= 1.2 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.044) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0552) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 1.2 (180deg=1.09) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -20:sc= 0.0844 USER MOD Single : A 46 TYR OH : rot 150:sc= -2.72! USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 1.28 (180deg=0.312) USER MOD Single : A 52 ASN : amide:sc= -0.943 K(o=-0.94,f=-0.088) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.12) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.25 K(o=1.3,f=-1.5) USER MOD Single : A 70 HIS : no HD1:sc=-0.00159 X(o=-0.0016,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.0969 K(o=-0.097,f=-0.62) USER MOD Single : A 74 HIS : no HE2:sc= 0.815 K(o=0.82,f=-2.5!) USER MOD Single : A 83 THR OG1 : rot 82:sc= 0.464 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= -0.0566 (180deg=-0.374) USER MOD Single : A 92 ASN : amide:sc= -0.104 K(o=-0.1,f=-2) USER MOD Single : A 93 THR OG1 : rot -149:sc= 0.94 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 96 ASN : amide:sc= 0.474 K(o=0.47,f=-9!) USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= -0.0355 (180deg=-0.232) USER MOD Single : A 109 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.1!) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.056 (180deg=-0.276) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.11 K(o=1.1,f=-0.62) USER MOD Single : A 114 SER OG : rot -91:sc= 0.00422 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -35:sc= 0.408 USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= -0.0341 (180deg=-0.309) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.204 10.483 -4.592 1.00 0.00 N ATOM 86 CA SER A 6 4.850 10.862 -4.244 1.00 0.00 C ATOM 87 C SER A 6 4.742 11.135 -2.743 1.00 0.00 C ATOM 88 O SER A 6 4.552 10.212 -1.946 1.00 0.00 O ATOM 89 CB SER A 6 3.892 9.751 -4.667 1.00 0.00 C ATOM 90 OG SER A 6 4.390 8.484 -4.273 1.00 0.00 O ATOM 0 HA SER A 6 4.582 11.779 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.913 9.918 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.755 9.774 -5.748 1.00 0.00 H new ATOM 0 HG SER A 6 5.355 8.547 -4.112 1.00 0.00 H new ATOM 96 N THR A 7 4.898 12.399 -2.366 1.00 0.00 N ATOM 97 CA THR A 7 4.835 12.798 -0.968 1.00 0.00 C ATOM 98 C THR A 7 3.393 12.829 -0.472 1.00 0.00 C ATOM 99 O THR A 7 2.475 12.413 -1.179 1.00 0.00 O ATOM 100 CB THR A 7 5.472 14.187 -0.746 1.00 0.00 C ATOM 101 OG1 THR A 7 4.775 15.184 -1.505 1.00 0.00 O ATOM 102 CG2 THR A 7 6.943 14.184 -1.135 1.00 0.00 C ATOM 0 H THR A 7 5.070 13.168 -3.014 1.00 0.00 H new ATOM 0 HA THR A 7 5.398 12.055 -0.403 1.00 0.00 H new ATOM 0 HB THR A 7 5.394 14.423 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.938 15.041 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.365 15.175 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.478 13.454 -0.528 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.040 13.921 -2.188 1.00 0.00 H new ATOM 110 N THR A 8 3.209 13.322 0.746 1.00 0.00 N ATOM 111 CA THR A 8 1.895 13.436 1.359 1.00 0.00 C ATOM 112 C THR A 8 0.886 14.126 0.436 1.00 0.00 C ATOM 113 O THR A 8 -0.172 13.569 0.141 1.00 0.00 O ATOM 114 CB THR A 8 1.995 14.215 2.680 1.00 0.00 C ATOM 115 OG1 THR A 8 2.977 13.607 3.532 1.00 0.00 O ATOM 116 CG2 THR A 8 0.653 14.253 3.385 1.00 0.00 C ATOM 0 H THR A 8 3.971 13.655 1.337 1.00 0.00 H new ATOM 0 HA THR A 8 1.538 12.424 1.548 1.00 0.00 H new ATOM 0 HB THR A 8 2.295 15.238 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.037 14.109 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.748 14.809 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.081 14.741 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.327 13.236 3.601 1.00 0.00 H new ATOM 124 N GLU A 9 1.227 15.327 -0.026 1.00 0.00 N ATOM 125 CA GLU A 9 0.342 16.097 -0.893 1.00 0.00 C ATOM 126 C GLU A 9 0.029 15.341 -2.178 1.00 0.00 C ATOM 127 O GLU A 9 -1.118 15.309 -2.624 1.00 0.00 O ATOM 128 CB GLU A 9 0.961 17.450 -1.235 1.00 0.00 C ATOM 129 CG GLU A 9 1.128 18.360 -0.036 1.00 0.00 C ATOM 130 CD GLU A 9 1.824 19.659 -0.384 1.00 0.00 C ATOM 131 OE1 GLU A 9 3.069 19.715 -0.290 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.133 20.635 -0.746 1.00 0.00 O ATOM 0 H GLU A 9 2.112 15.788 0.187 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.588 16.256 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.935 17.288 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.336 17.949 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.148 18.579 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.700 17.840 0.733 1.00 0.00 H new ATOM 139 N ASP A 10 1.051 14.728 -2.768 1.00 0.00 N ATOM 140 CA ASP A 10 0.869 13.952 -3.989 1.00 0.00 C ATOM 141 C ASP A 10 -0.066 12.787 -3.720 1.00 0.00 C ATOM 142 O ASP A 10 -0.954 12.491 -4.519 1.00 0.00 O ATOM 143 CB ASP A 10 2.200 13.422 -4.531 1.00 0.00 C ATOM 144 CG ASP A 10 3.219 14.514 -4.768 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.085 15.257 -5.765 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.166 14.632 -3.962 1.00 0.00 O ATOM 0 H ASP A 10 2.010 14.754 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 10 0.439 14.614 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.610 12.697 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.020 12.892 -5.466 1.00 0.00 H new ATOM 151 N LEU A 11 0.129 12.144 -2.574 1.00 0.00 N ATOM 152 CA LEU A 11 -0.705 11.030 -2.167 1.00 0.00 C ATOM 153 C LEU A 11 -2.155 11.472 -2.026 1.00 0.00 C ATOM 154 O LEU A 11 -3.053 10.840 -2.576 1.00 0.00 O ATOM 155 CB LEU A 11 -0.195 10.415 -0.860 1.00 0.00 C ATOM 156 CG LEU A 11 -1.106 9.346 -0.268 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.208 8.160 -1.210 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.600 8.909 1.097 1.00 0.00 C ATOM 0 H LEU A 11 0.865 12.381 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.653 10.265 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.788 9.979 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.064 11.210 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.102 9.770 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.862 7.404 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.619 8.488 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.217 7.735 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.263 8.146 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.406 8.501 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.579 9.767 1.769 1.00 0.00 H new ATOM 170 N GLN A 12 -2.369 12.586 -1.330 1.00 0.00 N ATOM 171 CA GLN A 12 -3.715 13.100 -1.087 1.00 0.00 C ATOM 172 C GLN A 12 -4.417 13.397 -2.407 1.00 0.00 C ATOM 173 O GLN A 12 -5.626 13.210 -2.546 1.00 0.00 O ATOM 174 CB GLN A 12 -3.656 14.374 -0.237 1.00 0.00 C ATOM 175 CG GLN A 12 -3.196 14.152 1.198 1.00 0.00 C ATOM 176 CD GLN A 12 -3.030 15.450 1.967 1.00 0.00 C ATOM 177 OE1 GLN A 12 -1.954 16.052 1.964 1.00 0.00 O ATOM 178 NE2 GLN A 12 -4.084 15.884 2.642 1.00 0.00 N ATOM 0 H GLN A 12 -1.625 13.152 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.279 12.339 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.982 15.085 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.645 14.832 -0.222 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.919 13.519 1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.248 13.614 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.957 15.357 2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.023 16.745 3.185 1.00 0.00 H new ATOM 187 N ARG A 13 -3.631 13.836 -3.376 1.00 0.00 N ATOM 188 CA ARG A 13 -4.137 14.182 -4.691 1.00 0.00 C ATOM 189 C ARG A 13 -4.639 12.936 -5.423 1.00 0.00 C ATOM 190 O ARG A 13 -5.688 12.965 -6.066 1.00 0.00 O ATOM 191 CB ARG A 13 -3.034 14.876 -5.487 1.00 0.00 C ATOM 192 CG ARG A 13 -3.481 15.429 -6.826 1.00 0.00 C ATOM 193 CD ARG A 13 -2.378 16.253 -7.466 1.00 0.00 C ATOM 194 NE ARG A 13 -1.179 15.460 -7.749 1.00 0.00 N ATOM 195 CZ ARG A 13 0.006 15.651 -7.158 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.142 16.559 -6.198 1.00 0.00 N ATOM 197 NH2 ARG A 13 1.055 14.922 -7.521 1.00 0.00 N ATOM 0 H ARG A 13 -2.624 13.962 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.982 14.863 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.629 15.691 -4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.222 14.168 -5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.759 14.609 -7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.370 16.045 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.747 16.691 -8.393 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.116 17.079 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.252 14.714 -8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.661 17.117 -5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.049 16.698 -5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.958 14.216 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.958 15.068 -7.070 1.00 0.00 H new ATOM 211 N TYR A 14 -3.900 11.834 -5.298 1.00 0.00 N ATOM 212 CA TYR A 14 -4.272 10.586 -5.959 1.00 0.00 C ATOM 213 C TYR A 14 -5.511 9.973 -5.321 1.00 0.00 C ATOM 214 O TYR A 14 -6.354 9.396 -6.011 1.00 0.00 O ATOM 215 CB TYR A 14 -3.131 9.570 -5.907 1.00 0.00 C ATOM 216 CG TYR A 14 -1.849 10.044 -6.560 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.874 10.718 -7.777 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.615 9.812 -5.965 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.708 11.150 -8.376 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.556 10.242 -6.561 1.00 0.00 C ATOM 221 CZ TYR A 14 0.504 10.911 -7.764 1.00 0.00 C ATOM 222 OH TYR A 14 1.667 11.344 -8.361 1.00 0.00 O ATOM 0 H TYR A 14 -3.043 11.781 -4.747 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.487 10.830 -6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.926 9.324 -4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.455 8.650 -6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.821 10.906 -8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.570 9.287 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.745 11.673 -9.320 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.507 10.054 -6.085 1.00 0.00 H new ATOM 0 HH TYR A 14 2.433 11.098 -7.802 1.00 0.00 H new ATOM 232 N ARG A 15 -5.621 10.101 -4.003 1.00 0.00 N ATOM 233 CA ARG A 15 -6.746 9.533 -3.279 1.00 0.00 C ATOM 234 C ARG A 15 -8.038 10.206 -3.712 1.00 0.00 C ATOM 235 O ARG A 15 -9.095 9.586 -3.713 1.00 0.00 O ATOM 236 CB ARG A 15 -6.557 9.657 -1.763 1.00 0.00 C ATOM 237 CG ARG A 15 -5.153 9.315 -1.305 1.00 0.00 C ATOM 238 CD ARG A 15 -5.065 9.155 0.205 1.00 0.00 C ATOM 239 NE ARG A 15 -5.395 10.375 0.936 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.340 10.464 2.263 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.072 9.389 2.992 1.00 0.00 N ATOM 242 NH2 ARG A 15 -5.589 11.619 2.864 1.00 0.00 N ATOM 0 H ARG A 15 -4.945 10.592 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.801 8.471 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.794 10.676 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.266 9.000 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.830 8.392 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.467 10.098 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.739 8.358 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.056 8.842 0.472 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.681 11.198 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.907 8.492 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.030 9.460 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.823 12.442 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.546 11.684 3.881 1.00 0.00 H new ATOM 256 N THR A 16 -7.936 11.463 -4.117 1.00 0.00 N ATOM 257 CA THR A 16 -9.077 12.203 -4.612 1.00 0.00 C ATOM 258 C THR A 16 -9.668 11.530 -5.850 1.00 0.00 C ATOM 259 O THR A 16 -10.872 11.260 -5.916 1.00 0.00 O ATOM 260 CB THR A 16 -8.665 13.649 -4.948 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.454 14.388 -3.736 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.706 14.341 -5.811 1.00 0.00 C ATOM 0 H THR A 16 -7.064 11.992 -4.110 1.00 0.00 H new ATOM 0 HA THR A 16 -9.838 12.218 -3.832 1.00 0.00 H new ATOM 0 HB THR A 16 -7.737 13.612 -5.518 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.613 14.103 -3.321 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.381 15.359 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.827 13.792 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.658 14.369 -5.281 1.00 0.00 H new ATOM 270 N GLU A 17 -8.804 11.232 -6.813 1.00 0.00 N ATOM 271 CA GLU A 17 -9.247 10.660 -8.075 1.00 0.00 C ATOM 272 C GLU A 17 -9.785 9.245 -7.864 1.00 0.00 C ATOM 273 O GLU A 17 -10.807 8.875 -8.441 1.00 0.00 O ATOM 274 CB GLU A 17 -8.110 10.654 -9.108 1.00 0.00 C ATOM 275 CG GLU A 17 -7.152 11.826 -8.970 1.00 0.00 C ATOM 276 CD GLU A 17 -6.198 11.948 -10.142 1.00 0.00 C ATOM 277 OE1 GLU A 17 -6.309 12.935 -10.900 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.335 11.064 -10.316 1.00 0.00 O ATOM 0 H GLU A 17 -7.797 11.377 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.053 11.284 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.549 9.724 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.541 10.664 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.725 12.748 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.578 11.713 -8.050 1.00 0.00 H new ATOM 285 N CYS A 18 -9.122 8.466 -7.012 1.00 0.00 N ATOM 286 CA CYS A 18 -9.559 7.100 -6.736 1.00 0.00 C ATOM 287 C CYS A 18 -10.889 7.087 -5.997 1.00 0.00 C ATOM 288 O CYS A 18 -11.719 6.205 -6.217 1.00 0.00 O ATOM 289 CB CYS A 18 -8.507 6.329 -5.938 1.00 0.00 C ATOM 290 SG CYS A 18 -6.990 5.972 -6.880 1.00 0.00 S ATOM 0 H CYS A 18 -8.286 8.755 -6.504 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.692 6.604 -7.697 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.245 6.903 -5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.941 5.390 -5.595 1.00 0.00 H new ATOM 295 N VAL A 19 -11.098 8.079 -5.142 1.00 0.00 N ATOM 296 CA VAL A 19 -12.332 8.181 -4.385 1.00 0.00 C ATOM 297 C VAL A 19 -13.510 8.443 -5.310 1.00 0.00 C ATOM 298 O VAL A 19 -14.507 7.720 -5.290 1.00 0.00 O ATOM 299 CB VAL A 19 -12.242 9.283 -3.306 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.621 9.797 -2.919 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.513 8.751 -2.083 1.00 0.00 C ATOM 0 H VAL A 19 -10.426 8.824 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.488 7.228 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.682 10.121 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.520 10.571 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.114 10.214 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.218 8.975 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.453 9.533 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.056 7.896 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.507 8.442 -2.365 1.00 0.00 H new ATOM 311 N SER A 20 -13.369 9.462 -6.139 1.00 0.00 N ATOM 312 CA SER A 20 -14.430 9.871 -7.042 1.00 0.00 C ATOM 313 C SER A 20 -14.714 8.798 -8.104 1.00 0.00 C ATOM 314 O SER A 20 -15.845 8.662 -8.570 1.00 0.00 O ATOM 315 CB SER A 20 -14.039 11.196 -7.701 1.00 0.00 C ATOM 316 OG SER A 20 -15.143 11.810 -8.343 1.00 0.00 O ATOM 0 H SER A 20 -12.522 10.026 -6.205 1.00 0.00 H new ATOM 0 HA SER A 20 -15.348 10.002 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.635 11.872 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.247 11.020 -8.429 1.00 0.00 H new ATOM 0 HG SER A 20 -14.856 12.654 -8.751 1.00 0.00 H new ATOM 322 N SER A 21 -13.693 8.023 -8.466 1.00 0.00 N ATOM 323 CA SER A 21 -13.834 7.020 -9.513 1.00 0.00 C ATOM 324 C SER A 21 -14.427 5.720 -8.970 1.00 0.00 C ATOM 325 O SER A 21 -15.337 5.150 -9.569 1.00 0.00 O ATOM 326 CB SER A 21 -12.474 6.749 -10.153 1.00 0.00 C ATOM 327 OG SER A 21 -11.917 7.942 -10.683 1.00 0.00 O ATOM 0 H SER A 21 -12.763 8.072 -8.050 1.00 0.00 H new ATOM 0 HA SER A 21 -14.521 7.409 -10.264 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.797 6.325 -9.412 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.582 6.009 -10.946 1.00 0.00 H new ATOM 0 HG SER A 21 -11.552 8.485 -9.953 1.00 0.00 H new ATOM 333 N LEU A 22 -13.921 5.254 -7.829 1.00 0.00 N ATOM 334 CA LEU A 22 -14.385 3.997 -7.250 1.00 0.00 C ATOM 335 C LEU A 22 -15.635 4.197 -6.395 1.00 0.00 C ATOM 336 O LEU A 22 -16.047 3.295 -5.666 1.00 0.00 O ATOM 337 CB LEU A 22 -13.274 3.359 -6.413 1.00 0.00 C ATOM 338 CG LEU A 22 -12.101 2.807 -7.217 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.949 2.453 -6.295 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.534 1.585 -8.004 1.00 0.00 C ATOM 0 H LEU A 22 -13.194 5.726 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.646 3.331 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.896 4.102 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.703 2.550 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.766 3.575 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.120 2.060 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.624 3.345 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.275 1.699 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.688 1.200 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.888 0.816 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.337 1.859 -8.688 1.00 0.00 H new ATOM 352 N ASN A 23 -16.230 5.387 -6.497 1.00 0.00 N ATOM 353 CA ASN A 23 -17.444 5.736 -5.752 1.00 0.00 C ATOM 354 C ASN A 23 -17.257 5.525 -4.249 1.00 0.00 C ATOM 355 O ASN A 23 -18.169 5.071 -3.555 1.00 0.00 O ATOM 356 CB ASN A 23 -18.647 4.926 -6.245 1.00 0.00 C ATOM 357 CG ASN A 23 -19.031 5.227 -7.684 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.183 5.522 -8.529 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.320 5.153 -7.975 1.00 0.00 N ATOM 0 H ASN A 23 -15.885 6.136 -7.097 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.637 6.794 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.422 3.863 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.501 5.129 -5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.640 5.343 -8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.993 4.906 -7.250 1.00 0.00 H new ATOM 366 N ILE A 24 -16.067 5.852 -3.760 1.00 0.00 N ATOM 367 CA ILE A 24 -15.752 5.735 -2.346 1.00 0.00 C ATOM 368 C ILE A 24 -16.505 6.797 -1.549 1.00 0.00 C ATOM 369 O ILE A 24 -16.382 7.990 -1.829 1.00 0.00 O ATOM 370 CB ILE A 24 -14.238 5.905 -2.098 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.421 5.024 -3.058 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.896 5.575 -0.650 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.654 3.535 -2.890 1.00 0.00 C ATOM 0 H ILE A 24 -15.298 6.204 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.056 4.740 -2.020 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.977 6.946 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.662 5.304 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.361 5.233 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.825 5.700 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.442 6.245 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.177 4.544 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.040 2.988 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.385 3.237 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.705 3.309 -3.067 1.00 0.00 H new ATOM 385 N PRO A 25 -17.305 6.377 -0.558 1.00 0.00 N ATOM 386 CA PRO A 25 -18.054 7.298 0.300 1.00 0.00 C ATOM 387 C PRO A 25 -17.130 8.205 1.102 1.00 0.00 C ATOM 388 O PRO A 25 -16.054 7.787 1.544 1.00 0.00 O ATOM 389 CB PRO A 25 -18.833 6.379 1.246 1.00 0.00 C ATOM 390 CG PRO A 25 -18.785 5.027 0.636 1.00 0.00 C ATOM 391 CD PRO A 25 -17.535 4.972 -0.195 1.00 0.00 C ATOM 0 HA PRO A 25 -18.692 7.961 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.387 6.374 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.862 6.719 1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.772 4.255 1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.667 4.849 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.697 4.560 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.666 4.345 -1.077 1.00 0.00 H new ATOM 399 N ALA A 26 -17.573 9.447 1.288 1.00 0.00 N ATOM 400 CA ALA A 26 -16.841 10.439 2.070 1.00 0.00 C ATOM 401 C ALA A 26 -16.533 9.907 3.461 1.00 0.00 C ATOM 402 O ALA A 26 -15.497 10.222 4.037 1.00 0.00 O ATOM 403 CB ALA A 26 -17.649 11.719 2.168 1.00 0.00 C ATOM 0 H ALA A 26 -18.450 9.793 0.900 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.897 10.649 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.096 12.454 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.830 12.113 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.602 11.511 2.654 1.00 0.00 H new ATOM 409 N ASP A 27 -17.458 9.108 3.985 1.00 0.00 N ATOM 410 CA ASP A 27 -17.280 8.414 5.259 1.00 0.00 C ATOM 411 C ASP A 27 -15.930 7.698 5.322 1.00 0.00 C ATOM 412 O ASP A 27 -15.145 7.916 6.245 1.00 0.00 O ATOM 413 CB ASP A 27 -18.416 7.411 5.453 1.00 0.00 C ATOM 414 CG ASP A 27 -18.190 6.465 6.616 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.768 5.313 6.377 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.458 6.854 7.772 1.00 0.00 O ATOM 0 H ASP A 27 -18.356 8.922 3.537 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.300 9.154 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.348 7.954 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.538 6.829 4.539 1.00 0.00 H new ATOM 421 N TYR A 28 -15.665 6.851 4.330 1.00 0.00 N ATOM 422 CA TYR A 28 -14.397 6.139 4.245 1.00 0.00 C ATOM 423 C TYR A 28 -13.220 7.099 4.128 1.00 0.00 C ATOM 424 O TYR A 28 -12.161 6.864 4.705 1.00 0.00 O ATOM 425 CB TYR A 28 -14.409 5.180 3.056 1.00 0.00 C ATOM 426 CG TYR A 28 -15.066 3.854 3.364 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.304 2.711 3.571 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.447 3.745 3.455 1.00 0.00 C ATOM 429 CE1 TYR A 28 -14.901 1.500 3.859 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.050 2.536 3.742 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.273 1.417 3.939 1.00 0.00 C ATOM 432 OH TYR A 28 -16.865 0.210 4.229 1.00 0.00 O ATOM 0 H TYR A 28 -16.315 6.642 3.573 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.275 5.571 5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.931 5.651 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.384 5.003 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.228 2.771 3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.060 4.620 3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.294 0.621 4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.126 2.469 3.811 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.245 -0.342 4.750 1.00 0.00 H new ATOM 442 N VAL A 29 -13.417 8.183 3.390 1.00 0.00 N ATOM 443 CA VAL A 29 -12.370 9.172 3.170 1.00 0.00 C ATOM 444 C VAL A 29 -11.883 9.778 4.487 1.00 0.00 C ATOM 445 O VAL A 29 -10.677 9.944 4.696 1.00 0.00 O ATOM 446 CB VAL A 29 -12.860 10.290 2.239 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.759 11.304 1.993 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.349 9.700 0.931 1.00 0.00 C ATOM 0 H VAL A 29 -14.301 8.401 2.930 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.534 8.654 2.699 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.691 10.806 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.127 12.088 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.452 11.745 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.905 10.809 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.695 10.501 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.534 9.163 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.171 9.012 1.127 1.00 0.00 H new ATOM 458 N GLU A 30 -12.820 10.101 5.375 1.00 0.00 N ATOM 459 CA GLU A 30 -12.473 10.669 6.676 1.00 0.00 C ATOM 460 C GLU A 30 -11.717 9.648 7.521 1.00 0.00 C ATOM 461 O GLU A 30 -10.865 10.009 8.336 1.00 0.00 O ATOM 462 CB GLU A 30 -13.721 11.132 7.420 1.00 0.00 C ATOM 463 CG GLU A 30 -14.739 11.793 6.517 1.00 0.00 C ATOM 464 CD GLU A 30 -15.832 12.499 7.283 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.851 13.750 7.282 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.679 11.815 7.889 1.00 0.00 O ATOM 0 H GLU A 30 -13.821 9.980 5.219 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.831 11.533 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.182 10.276 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.431 11.832 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.233 12.511 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.185 11.040 5.868 1.00 0.00 H new ATOM 473 N LYS A 31 -12.034 8.376 7.313 1.00 0.00 N ATOM 474 CA LYS A 31 -11.352 7.292 8.011 1.00 0.00 C ATOM 475 C LYS A 31 -9.887 7.226 7.603 1.00 0.00 C ATOM 476 O LYS A 31 -9.004 7.170 8.453 1.00 0.00 O ATOM 477 CB LYS A 31 -12.015 5.946 7.729 1.00 0.00 C ATOM 478 CG LYS A 31 -13.459 5.877 8.180 1.00 0.00 C ATOM 479 CD LYS A 31 -14.012 4.471 8.049 1.00 0.00 C ATOM 480 CE LYS A 31 -15.502 4.442 8.348 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.797 4.798 9.760 1.00 0.00 N ATOM 0 H LYS A 31 -12.760 8.069 6.666 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.421 7.500 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.967 5.743 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.449 5.160 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.534 6.204 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.061 6.564 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.832 4.098 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.487 3.805 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.018 5.136 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.894 3.447 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.812 4.667 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.247 4.185 10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.539 5.791 9.929 1.00 0.00 H new ATOM 495 N PHE A 32 -9.640 7.247 6.295 1.00 0.00 N ATOM 496 CA PHE A 32 -8.285 7.158 5.756 1.00 0.00 C ATOM 497 C PHE A 32 -7.405 8.284 6.293 1.00 0.00 C ATOM 498 O PHE A 32 -6.204 8.105 6.489 1.00 0.00 O ATOM 499 CB PHE A 32 -8.307 7.194 4.226 1.00 0.00 C ATOM 500 CG PHE A 32 -9.197 6.149 3.605 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.966 6.444 2.490 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.271 4.874 4.143 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.788 5.486 1.923 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.091 3.914 3.582 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.850 4.219 2.470 1.00 0.00 C ATOM 0 H PHE A 32 -10.367 7.326 5.584 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.862 6.207 6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.638 8.180 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.291 7.060 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.923 7.433 2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.680 4.628 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.381 5.729 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.138 2.925 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.490 3.469 2.029 1.00 0.00 H new ATOM 515 N LYS A 33 -8.014 9.439 6.541 1.00 0.00 N ATOM 516 CA LYS A 33 -7.310 10.569 7.135 1.00 0.00 C ATOM 517 C LYS A 33 -6.733 10.175 8.496 1.00 0.00 C ATOM 518 O LYS A 33 -5.638 10.593 8.865 1.00 0.00 O ATOM 519 CB LYS A 33 -8.260 11.755 7.300 1.00 0.00 C ATOM 520 CG LYS A 33 -7.536 13.081 7.469 1.00 0.00 C ATOM 521 CD LYS A 33 -8.513 14.237 7.608 1.00 0.00 C ATOM 522 CE LYS A 33 -7.797 15.578 7.694 1.00 0.00 C ATOM 523 NZ LYS A 33 -6.940 15.687 8.905 1.00 0.00 N ATOM 0 H LYS A 33 -8.998 9.617 6.339 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.494 10.857 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.913 11.813 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.898 11.584 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.896 13.037 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.886 13.254 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.193 14.242 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.122 14.093 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.183 15.717 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.534 16.381 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.555 16.651 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.508 15.481 9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.157 15.005 8.839 1.00 0.00 H new ATOM 537 N LYS A 34 -7.478 9.350 9.224 1.00 0.00 N ATOM 538 CA LYS A 34 -7.054 8.873 10.540 1.00 0.00 C ATOM 539 C LYS A 34 -6.314 7.542 10.434 1.00 0.00 C ATOM 540 O LYS A 34 -6.154 6.833 11.431 1.00 0.00 O ATOM 541 CB LYS A 34 -8.270 8.697 11.453 1.00 0.00 C ATOM 542 CG LYS A 34 -8.979 9.992 11.810 1.00 0.00 C ATOM 543 CD LYS A 34 -10.324 9.710 12.461 1.00 0.00 C ATOM 544 CE LYS A 34 -10.168 8.945 13.765 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.412 8.224 14.136 1.00 0.00 N ATOM 0 H LYS A 34 -8.386 8.994 8.924 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.378 9.618 10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.981 8.030 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.951 8.206 12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.357 10.577 12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.123 10.592 10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.841 10.651 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.947 9.136 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.349 8.232 13.672 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.898 9.638 14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.388 7.990 15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.235 8.828 13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.485 7.348 13.580 1.00 0.00 H new ATOM 559 N TRP A 35 -5.852 7.225 9.227 1.00 0.00 N ATOM 560 CA TRP A 35 -5.221 5.941 8.932 1.00 0.00 C ATOM 561 C TRP A 35 -6.083 4.757 9.389 1.00 0.00 C ATOM 562 O TRP A 35 -5.582 3.791 9.963 1.00 0.00 O ATOM 563 CB TRP A 35 -3.826 5.883 9.559 1.00 0.00 C ATOM 564 CG TRP A 35 -2.863 6.852 8.934 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.711 8.172 9.252 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.926 6.583 7.880 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.734 8.738 8.468 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.240 7.786 7.617 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.597 5.447 7.134 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.249 7.882 6.642 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.615 5.546 6.167 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.050 6.753 5.928 1.00 0.00 C ATOM 0 H TRP A 35 -5.905 7.852 8.424 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.123 5.858 7.850 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.904 6.093 10.626 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.431 4.872 9.461 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.276 8.695 10.009 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.427 9.710 8.513 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.102 4.509 7.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.265 8.814 6.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.356 4.674 5.584 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.814 6.795 5.166 1.00 0.00 H new ATOM 583 N GLU A 36 -7.381 4.848 9.123 1.00 0.00 N ATOM 584 CA GLU A 36 -8.316 3.768 9.414 1.00 0.00 C ATOM 585 C GLU A 36 -8.726 3.075 8.123 1.00 0.00 C ATOM 586 O GLU A 36 -9.391 3.670 7.274 1.00 0.00 O ATOM 587 CB GLU A 36 -9.572 4.290 10.117 1.00 0.00 C ATOM 588 CG GLU A 36 -9.355 4.779 11.537 1.00 0.00 C ATOM 589 CD GLU A 36 -10.660 5.146 12.225 1.00 0.00 C ATOM 590 OE1 GLU A 36 -11.293 4.252 12.827 1.00 0.00 O ATOM 591 OE2 GLU A 36 -11.064 6.327 12.172 1.00 0.00 O ATOM 0 H GLU A 36 -7.814 5.670 8.701 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.812 3.064 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.988 5.107 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.318 3.496 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.848 4.004 12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.697 5.648 11.523 1.00 0.00 H new ATOM 598 N PHE A 37 -8.320 1.826 7.971 1.00 0.00 N ATOM 599 CA PHE A 37 -8.644 1.062 6.772 1.00 0.00 C ATOM 600 C PHE A 37 -9.527 -0.137 7.112 1.00 0.00 C ATOM 601 O PHE A 37 -9.020 -1.211 7.450 1.00 0.00 O ATOM 602 CB PHE A 37 -7.358 0.595 6.081 1.00 0.00 C ATOM 603 CG PHE A 37 -6.418 1.723 5.762 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.534 2.193 6.722 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.423 2.321 4.512 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.677 3.238 6.442 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.567 3.365 4.228 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.693 3.825 5.194 1.00 0.00 C ATOM 0 H PHE A 37 -7.766 1.317 8.660 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.197 1.710 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.849 -0.124 6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.616 0.074 5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.516 1.736 7.700 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.104 1.966 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.995 3.596 7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.580 3.823 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.023 4.643 4.972 1.00 0.00 H new ATOM 618 N PRO A 38 -10.861 0.040 7.051 1.00 0.00 N ATOM 619 CA PRO A 38 -11.824 -1.044 7.301 1.00 0.00 C ATOM 620 C PRO A 38 -11.629 -2.242 6.377 1.00 0.00 C ATOM 621 O PRO A 38 -11.251 -2.097 5.209 1.00 0.00 O ATOM 622 CB PRO A 38 -13.178 -0.389 7.035 1.00 0.00 C ATOM 623 CG PRO A 38 -12.943 1.061 7.247 1.00 0.00 C ATOM 624 CD PRO A 38 -11.546 1.313 6.751 1.00 0.00 C ATOM 0 HA PRO A 38 -11.714 -1.447 8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.523 -0.590 6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.942 -0.770 7.713 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.669 1.661 6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.040 1.325 8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.530 1.540 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.080 2.154 7.264 1.00 0.00 H new ATOM 632 N GLU A 39 -11.896 -3.423 6.913 1.00 0.00 N ATOM 633 CA GLU A 39 -11.733 -4.661 6.171 1.00 0.00 C ATOM 634 C GLU A 39 -12.959 -4.946 5.308 1.00 0.00 C ATOM 635 O GLU A 39 -13.844 -5.719 5.688 1.00 0.00 O ATOM 636 CB GLU A 39 -11.478 -5.823 7.131 1.00 0.00 C ATOM 637 CG GLU A 39 -11.191 -7.140 6.426 1.00 0.00 C ATOM 638 CD GLU A 39 -11.054 -8.303 7.383 1.00 0.00 C ATOM 639 OE1 GLU A 39 -12.092 -8.849 7.819 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.910 -8.688 7.696 1.00 0.00 O ATOM 0 H GLU A 39 -12.230 -3.549 7.869 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.872 -4.552 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.635 -5.573 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.347 -5.948 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.994 -7.350 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.273 -7.043 5.846 1.00 0.00 H new ATOM 647 N ASP A 40 -13.005 -4.303 4.154 1.00 0.00 N ATOM 648 CA ASP A 40 -14.067 -4.523 3.181 1.00 0.00 C ATOM 649 C ASP A 40 -13.588 -4.122 1.794 1.00 0.00 C ATOM 650 O ASP A 40 -12.602 -3.395 1.645 1.00 0.00 O ATOM 651 CB ASP A 40 -15.340 -3.749 3.551 1.00 0.00 C ATOM 652 CG ASP A 40 -15.172 -2.247 3.501 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.233 -1.673 2.392 1.00 0.00 O ATOM 654 OD2 ASP A 40 -15.016 -1.633 4.580 1.00 0.00 O ATOM 0 H ASP A 40 -12.310 -3.615 3.863 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.315 -5.584 3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.142 -4.039 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.652 -4.038 4.555 1.00 0.00 H new ATOM 659 N ASP A 41 -14.304 -4.615 0.787 1.00 0.00 N ATOM 660 CA ASP A 41 -13.857 -4.559 -0.607 1.00 0.00 C ATOM 661 C ASP A 41 -13.726 -3.129 -1.121 1.00 0.00 C ATOM 662 O ASP A 41 -12.984 -2.880 -2.072 1.00 0.00 O ATOM 663 CB ASP A 41 -14.798 -5.360 -1.520 1.00 0.00 C ATOM 664 CG ASP A 41 -16.210 -4.806 -1.557 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.609 -4.246 -2.601 1.00 0.00 O ATOM 666 OD2 ASP A 41 -16.931 -4.929 -0.544 1.00 0.00 O ATOM 0 H ASP A 41 -15.211 -5.065 0.912 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.865 -5.010 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.392 -5.369 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.830 -6.395 -1.180 1.00 0.00 H new ATOM 671 N THR A 42 -14.435 -2.195 -0.491 1.00 0.00 N ATOM 672 CA THR A 42 -14.356 -0.789 -0.867 1.00 0.00 C ATOM 673 C THR A 42 -12.945 -0.241 -0.641 1.00 0.00 C ATOM 674 O THR A 42 -12.287 0.214 -1.581 1.00 0.00 O ATOM 675 CB THR A 42 -15.367 0.043 -0.062 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.690 -0.477 -0.249 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.327 1.500 -0.480 1.00 0.00 C ATOM 0 H THR A 42 -15.071 -2.389 0.283 1.00 0.00 H new ATOM 0 HA THR A 42 -14.596 -0.715 -1.928 1.00 0.00 H new ATOM 0 HB THR A 42 -15.097 -0.021 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 42 -17.328 0.058 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.052 2.066 0.105 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.328 1.901 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.572 1.582 -1.539 1.00 0.00 H new ATOM 685 N THR A 43 -12.489 -0.303 0.606 1.00 0.00 N ATOM 686 CA THR A 43 -11.148 0.135 0.969 1.00 0.00 C ATOM 687 C THR A 43 -10.089 -0.612 0.158 1.00 0.00 C ATOM 688 O THR A 43 -9.059 -0.052 -0.214 1.00 0.00 O ATOM 689 CB THR A 43 -10.892 -0.106 2.469 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.924 0.520 3.243 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.537 0.441 2.892 1.00 0.00 C ATOM 0 H THR A 43 -13.037 -0.657 1.390 1.00 0.00 H new ATOM 0 HA THR A 43 -11.078 1.201 0.750 1.00 0.00 H new ATOM 0 HB THR A 43 -10.897 -1.182 2.645 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.364 1.210 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.386 0.256 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.751 -0.054 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.502 1.514 2.702 1.00 0.00 H new ATOM 699 N MET A 44 -10.368 -1.874 -0.132 1.00 0.00 N ATOM 700 CA MET A 44 -9.405 -2.739 -0.799 1.00 0.00 C ATOM 701 C MET A 44 -9.129 -2.291 -2.236 1.00 0.00 C ATOM 702 O MET A 44 -7.973 -2.105 -2.625 1.00 0.00 O ATOM 703 CB MET A 44 -9.898 -4.183 -0.780 1.00 0.00 C ATOM 704 CG MET A 44 -10.113 -4.729 0.620 1.00 0.00 C ATOM 705 SD MET A 44 -10.702 -6.431 0.632 1.00 0.00 S ATOM 706 CE MET A 44 -10.895 -6.680 2.394 1.00 0.00 C ATOM 0 H MET A 44 -11.257 -2.324 0.085 1.00 0.00 H new ATOM 0 HA MET A 44 -8.465 -2.669 -0.251 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.834 -4.247 -1.334 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.176 -4.812 -1.300 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.176 -4.671 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.832 -4.098 1.143 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.709 -7.382 2.575 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.970 -7.082 2.808 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.123 -5.728 2.873 1.00 0.00 H new ATOM 716 N CYS A 45 -10.184 -2.113 -3.026 1.00 0.00 N ATOM 717 CA CYS A 45 -10.025 -1.670 -4.411 1.00 0.00 C ATOM 718 C CYS A 45 -9.461 -0.253 -4.448 1.00 0.00 C ATOM 719 O CYS A 45 -8.746 0.126 -5.379 1.00 0.00 O ATOM 720 CB CYS A 45 -11.360 -1.737 -5.161 1.00 0.00 C ATOM 721 SG CYS A 45 -12.097 -3.410 -5.237 1.00 0.00 S ATOM 0 H CYS A 45 -11.150 -2.266 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.324 -2.339 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.068 -1.062 -4.680 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.211 -1.372 -6.177 1.00 0.00 H new ATOM 726 N TYR A 46 -9.774 0.514 -3.412 1.00 0.00 N ATOM 727 CA TYR A 46 -9.248 1.858 -3.252 1.00 0.00 C ATOM 728 C TYR A 46 -7.728 1.833 -3.151 1.00 0.00 C ATOM 729 O TYR A 46 -7.039 2.628 -3.794 1.00 0.00 O ATOM 730 CB TYR A 46 -9.874 2.489 -2.006 1.00 0.00 C ATOM 731 CG TYR A 46 -9.125 3.684 -1.458 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.130 4.906 -2.120 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.426 3.586 -0.260 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.459 5.997 -1.600 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.752 4.670 0.262 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.770 5.871 -0.411 1.00 0.00 C ATOM 737 OH TYR A 46 -7.117 6.958 0.116 1.00 0.00 O ATOM 0 H TYR A 46 -10.399 0.220 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.505 2.458 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.893 2.794 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.941 1.731 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.665 5.005 -3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.411 2.645 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.474 6.943 -2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.213 4.577 1.193 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.101 6.888 1.093 1.00 0.00 H new ATOM 747 N ILE A 47 -7.215 0.896 -2.362 1.00 0.00 N ATOM 748 CA ILE A 47 -5.784 0.774 -2.144 1.00 0.00 C ATOM 749 C ILE A 47 -5.036 0.486 -3.443 1.00 0.00 C ATOM 750 O ILE A 47 -3.988 1.079 -3.687 1.00 0.00 O ATOM 751 CB ILE A 47 -5.455 -0.312 -1.090 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.946 0.126 0.301 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.958 -0.615 -1.062 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.344 1.431 0.795 1.00 0.00 C ATOM 0 H ILE A 47 -7.776 0.207 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.446 1.737 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.976 -1.227 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.031 0.227 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.716 -0.661 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.756 -1.381 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.641 -0.973 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.408 0.292 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.744 1.666 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.260 1.331 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.596 2.233 0.101 1.00 0.00 H new ATOM 766 N LYS A 48 -5.569 -0.392 -4.297 1.00 0.00 N ATOM 767 CA LYS A 48 -4.848 -0.715 -5.523 1.00 0.00 C ATOM 768 C LYS A 48 -4.842 0.465 -6.480 1.00 0.00 C ATOM 769 O LYS A 48 -3.826 0.738 -7.105 1.00 0.00 O ATOM 770 CB LYS A 48 -5.365 -1.965 -6.246 1.00 0.00 C ATOM 771 CG LYS A 48 -6.811 -2.332 -5.999 1.00 0.00 C ATOM 772 CD LYS A 48 -7.236 -3.485 -6.906 1.00 0.00 C ATOM 773 CE LYS A 48 -7.141 -3.107 -8.382 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.475 -4.241 -9.288 1.00 0.00 N ATOM 0 H LYS A 48 -6.460 -0.872 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.831 -0.940 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.227 -1.822 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.743 -2.811 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.947 -2.614 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.448 -1.466 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.606 -4.353 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.260 -3.775 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.816 -2.275 -8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.131 -2.759 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.710 -3.873 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.658 -4.881 -9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.290 -4.762 -8.906 1.00 0.00 H new ATOM 788 N CYS A 49 -5.974 1.166 -6.588 1.00 0.00 N ATOM 789 CA CYS A 49 -6.051 2.348 -7.449 1.00 0.00 C ATOM 790 C CYS A 49 -4.983 3.369 -7.063 1.00 0.00 C ATOM 791 O CYS A 49 -4.266 3.889 -7.918 1.00 0.00 O ATOM 792 CB CYS A 49 -7.443 2.981 -7.382 1.00 0.00 C ATOM 793 SG CYS A 49 -7.584 4.586 -8.246 1.00 0.00 S ATOM 0 H CYS A 49 -6.839 0.939 -6.097 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.868 2.029 -8.475 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.166 2.287 -7.810 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.716 3.120 -6.336 1.00 0.00 H new ATOM 798 N VAL A 50 -4.866 3.632 -5.764 1.00 0.00 N ATOM 799 CA VAL A 50 -3.881 4.565 -5.252 1.00 0.00 C ATOM 800 C VAL A 50 -2.467 4.060 -5.525 1.00 0.00 C ATOM 801 O VAL A 50 -1.598 4.806 -5.980 1.00 0.00 O ATOM 802 CB VAL A 50 -4.079 4.784 -3.740 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.939 5.585 -3.142 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.400 5.484 -3.489 1.00 0.00 C ATOM 0 H VAL A 50 -5.450 3.205 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.017 5.517 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.089 3.808 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.111 5.721 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.001 5.051 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.885 6.559 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.534 5.636 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.402 6.449 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.215 4.871 -3.873 1.00 0.00 H new ATOM 814 N PHE A 51 -2.264 2.777 -5.279 1.00 0.00 N ATOM 815 CA PHE A 51 -0.969 2.143 -5.472 1.00 0.00 C ATOM 816 C PHE A 51 -0.602 2.073 -6.958 1.00 0.00 C ATOM 817 O PHE A 51 0.566 1.922 -7.319 1.00 0.00 O ATOM 818 CB PHE A 51 -0.984 0.749 -4.848 1.00 0.00 C ATOM 819 CG PHE A 51 -0.594 0.720 -3.395 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.902 1.776 -2.551 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.070 -0.377 -2.870 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.552 1.739 -1.214 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.421 -0.420 -1.535 1.00 0.00 C ATOM 824 CZ PHE A 51 0.110 0.639 -0.707 1.00 0.00 C ATOM 0 H PHE A 51 -2.990 2.146 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.207 2.746 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.983 0.327 -4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.306 0.105 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.422 2.638 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.316 -1.209 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.796 2.569 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.938 -1.282 -1.140 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.384 0.607 0.337 1.00 0.00 H new ATOM 834 N ASN A 52 -1.611 2.181 -7.812 1.00 0.00 N ATOM 835 CA ASN A 52 -1.405 2.232 -9.261 1.00 0.00 C ATOM 836 C ASN A 52 -0.956 3.625 -9.663 1.00 0.00 C ATOM 837 O ASN A 52 -0.027 3.793 -10.454 1.00 0.00 O ATOM 838 CB ASN A 52 -2.694 1.879 -10.023 1.00 0.00 C ATOM 839 CG ASN A 52 -2.968 0.387 -10.094 1.00 0.00 C ATOM 840 OD1 ASN A 52 -4.114 -0.050 -9.981 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.934 -0.404 -10.338 1.00 0.00 N ATOM 0 H ASN A 52 -2.589 2.236 -7.528 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.640 1.500 -9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.538 2.373 -9.541 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.628 2.277 -11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.074 -1.409 -10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.998 -0.008 -10.426 1.00 0.00 H new ATOM 848 N LYS A 53 -1.614 4.619 -9.083 1.00 0.00 N ATOM 849 CA LYS A 53 -1.332 6.020 -9.366 1.00 0.00 C ATOM 850 C LYS A 53 0.063 6.406 -8.886 1.00 0.00 C ATOM 851 O LYS A 53 0.710 7.282 -9.456 1.00 0.00 O ATOM 852 CB LYS A 53 -2.378 6.898 -8.677 1.00 0.00 C ATOM 853 CG LYS A 53 -3.724 6.948 -9.386 1.00 0.00 C ATOM 854 CD LYS A 53 -3.718 7.949 -10.527 1.00 0.00 C ATOM 855 CE LYS A 53 -5.055 7.979 -11.249 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.165 9.143 -12.166 1.00 0.00 N ATOM 0 H LYS A 53 -2.360 4.477 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.374 6.171 -10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.530 6.532 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.986 7.912 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.970 5.958 -9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.503 7.215 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.490 8.942 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.928 7.693 -11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.182 7.057 -11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.862 8.016 -10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.993 9.021 -12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.274 10.015 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.305 9.209 -12.748 1.00 0.00 H new ATOM 870 N MET A 54 0.519 5.740 -7.833 1.00 0.00 N ATOM 871 CA MET A 54 1.822 6.030 -7.250 1.00 0.00 C ATOM 872 C MET A 54 2.917 5.188 -7.892 1.00 0.00 C ATOM 873 O MET A 54 4.101 5.358 -7.598 1.00 0.00 O ATOM 874 CB MET A 54 1.788 5.786 -5.744 1.00 0.00 C ATOM 875 CG MET A 54 0.940 6.796 -4.995 1.00 0.00 C ATOM 876 SD MET A 54 0.696 6.363 -3.261 1.00 0.00 S ATOM 877 CE MET A 54 2.328 6.672 -2.594 1.00 0.00 C ATOM 0 H MET A 54 0.005 4.994 -7.365 1.00 0.00 H new ATOM 0 HA MET A 54 2.050 7.079 -7.440 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.402 4.785 -5.553 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.806 5.815 -5.354 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.413 7.776 -5.056 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.031 6.880 -5.483 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.353 6.381 -1.544 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.064 6.090 -3.149 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.562 7.733 -2.682 1.00 0.00 H new ATOM 887 N GLN A 55 2.491 4.286 -8.783 1.00 0.00 N ATOM 888 CA GLN A 55 3.384 3.359 -9.468 1.00 0.00 C ATOM 889 C GLN A 55 4.131 2.476 -8.473 1.00 0.00 C ATOM 890 O GLN A 55 5.358 2.436 -8.451 1.00 0.00 O ATOM 891 CB GLN A 55 4.348 4.126 -10.370 1.00 0.00 C ATOM 892 CG GLN A 55 3.672 4.663 -11.613 1.00 0.00 C ATOM 893 CD GLN A 55 4.580 5.540 -12.450 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.490 6.193 -11.935 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.330 5.573 -13.747 1.00 0.00 N ATOM 0 H GLN A 55 1.511 4.182 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 55 2.784 2.699 -10.095 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.784 4.954 -9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.169 3.470 -10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.323 3.827 -12.220 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.791 5.235 -11.322 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.567 5.017 -14.134 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.900 6.154 -14.362 1.00 0.00 H new ATOM 904 N LEU A 56 3.371 1.759 -7.658 1.00 0.00 N ATOM 905 CA LEU A 56 3.940 0.956 -6.586 1.00 0.00 C ATOM 906 C LEU A 56 3.412 -0.481 -6.609 1.00 0.00 C ATOM 907 O LEU A 56 4.035 -1.393 -6.061 1.00 0.00 O ATOM 908 CB LEU A 56 3.637 1.625 -5.237 1.00 0.00 C ATOM 909 CG LEU A 56 4.786 2.453 -4.662 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.352 3.170 -3.391 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.986 1.571 -4.380 1.00 0.00 C ATOM 0 H LEU A 56 2.354 1.717 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 56 5.019 0.900 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.766 2.270 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.368 0.853 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 56 5.067 3.202 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.186 3.753 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.518 3.835 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.041 2.436 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.795 2.177 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.710 0.800 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.317 1.101 -5.306 1.00 0.00 H new ATOM 923 N PHE A 57 2.266 -0.682 -7.248 1.00 0.00 N ATOM 924 CA PHE A 57 1.658 -2.007 -7.325 1.00 0.00 C ATOM 925 C PHE A 57 1.181 -2.271 -8.741 1.00 0.00 C ATOM 926 O PHE A 57 0.622 -1.389 -9.391 1.00 0.00 O ATOM 927 CB PHE A 57 0.483 -2.127 -6.331 1.00 0.00 C ATOM 928 CG PHE A 57 -0.301 -3.413 -6.425 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.466 -3.476 -7.179 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.118 -4.552 -5.757 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.194 -4.647 -7.262 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.608 -5.727 -5.839 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.763 -5.774 -6.593 1.00 0.00 C ATOM 0 H PHE A 57 1.739 0.053 -7.720 1.00 0.00 H new ATOM 0 HA PHE A 57 2.407 -2.752 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.872 -2.029 -5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.198 -1.291 -6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.807 -2.598 -7.707 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.021 -4.522 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.099 -4.680 -7.850 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.271 -6.608 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.329 -6.692 -6.659 1.00 0.00 H new ATOM 943 N ASP A 58 1.423 -3.475 -9.218 1.00 0.00 N ATOM 944 CA ASP A 58 0.948 -3.895 -10.525 1.00 0.00 C ATOM 945 C ASP A 58 -0.080 -4.997 -10.336 1.00 0.00 C ATOM 946 O ASP A 58 0.091 -5.869 -9.490 1.00 0.00 O ATOM 947 CB ASP A 58 2.118 -4.380 -11.389 1.00 0.00 C ATOM 948 CG ASP A 58 1.672 -4.907 -12.735 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.749 -6.132 -12.949 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.240 -4.102 -13.587 1.00 0.00 O ATOM 0 H ASP A 58 1.951 -4.188 -8.715 1.00 0.00 H new ATOM 0 HA ASP A 58 0.486 -3.053 -11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.818 -3.558 -11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.656 -5.164 -10.857 1.00 0.00 H new ATOM 955 N ASP A 59 -1.154 -4.946 -11.110 1.00 0.00 N ATOM 956 CA ASP A 59 -2.276 -5.866 -10.917 1.00 0.00 C ATOM 957 C ASP A 59 -1.890 -7.273 -11.361 1.00 0.00 C ATOM 958 O ASP A 59 -2.514 -8.258 -10.967 1.00 0.00 O ATOM 959 CB ASP A 59 -3.506 -5.373 -11.690 1.00 0.00 C ATOM 960 CG ASP A 59 -4.786 -6.096 -11.308 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.453 -5.659 -10.346 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.148 -7.085 -11.987 1.00 0.00 O ATOM 0 H ASP A 59 -1.277 -4.283 -11.875 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.525 -5.897 -9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.634 -4.305 -11.513 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.330 -5.500 -12.758 1.00 0.00 H new ATOM 967 N THR A 60 -0.850 -7.355 -12.178 1.00 0.00 N ATOM 968 CA THR A 60 -0.353 -8.626 -12.668 1.00 0.00 C ATOM 969 C THR A 60 0.740 -9.202 -11.755 1.00 0.00 C ATOM 970 O THR A 60 0.551 -10.251 -11.139 1.00 0.00 O ATOM 971 CB THR A 60 0.187 -8.469 -14.100 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.885 -8.126 -14.985 1.00 0.00 O ATOM 973 CG2 THR A 60 0.869 -9.736 -14.577 1.00 0.00 C ATOM 0 H THR A 60 -0.331 -6.545 -12.517 1.00 0.00 H new ATOM 0 HA THR A 60 -1.188 -9.326 -12.670 1.00 0.00 H new ATOM 0 HB THR A 60 0.930 -7.671 -14.098 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.538 -8.025 -15.896 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.239 -9.590 -15.592 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.704 -9.970 -13.917 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.155 -10.560 -14.566 1.00 0.00 H new ATOM 981 N GLU A 61 1.876 -8.511 -11.669 1.00 0.00 N ATOM 982 CA GLU A 61 3.025 -9.007 -10.911 1.00 0.00 C ATOM 983 C GLU A 61 2.870 -8.771 -9.413 1.00 0.00 C ATOM 984 O GLU A 61 3.626 -9.323 -8.610 1.00 0.00 O ATOM 985 CB GLU A 61 4.313 -8.340 -11.383 1.00 0.00 C ATOM 986 CG GLU A 61 4.497 -8.370 -12.882 1.00 0.00 C ATOM 987 CD GLU A 61 5.762 -7.669 -13.321 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.669 -6.742 -14.148 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.856 -8.038 -12.841 1.00 0.00 O ATOM 0 H GLU A 61 2.026 -7.606 -12.115 1.00 0.00 H new ATOM 0 HA GLU A 61 3.074 -10.081 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.320 -7.304 -11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.162 -8.835 -10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.522 -9.405 -13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.639 -7.898 -13.360 1.00 0.00 H new ATOM 996 N GLY A 62 1.909 -7.948 -9.033 1.00 0.00 N ATOM 997 CA GLY A 62 1.709 -7.658 -7.630 1.00 0.00 C ATOM 998 C GLY A 62 2.567 -6.505 -7.149 1.00 0.00 C ATOM 999 O GLY A 62 2.901 -5.609 -7.924 1.00 0.00 O ATOM 0 H GLY A 62 1.265 -7.476 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.659 -7.423 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.937 -8.547 -7.042 1.00 0.00 H new ATOM 1003 N PRO A 63 2.933 -6.506 -5.860 1.00 0.00 N ATOM 1004 CA PRO A 63 3.773 -5.463 -5.262 1.00 0.00 C ATOM 1005 C PRO A 63 5.112 -5.328 -5.982 1.00 0.00 C ATOM 1006 O PRO A 63 5.858 -6.300 -6.108 1.00 0.00 O ATOM 1007 CB PRO A 63 3.992 -5.943 -3.822 1.00 0.00 C ATOM 1008 CG PRO A 63 2.908 -6.932 -3.559 1.00 0.00 C ATOM 1009 CD PRO A 63 2.554 -7.540 -4.887 1.00 0.00 C ATOM 0 HA PRO A 63 3.304 -4.481 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.975 -6.399 -3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.942 -5.111 -3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.243 -7.697 -2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.041 -6.447 -3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.098 -8.469 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.492 -7.776 -4.948 1.00 0.00 H new ATOM 1017 N LEU A 64 5.406 -4.129 -6.458 1.00 0.00 N ATOM 1018 CA LEU A 64 6.648 -3.880 -7.178 1.00 0.00 C ATOM 1019 C LEU A 64 7.764 -3.567 -6.199 1.00 0.00 C ATOM 1020 O LEU A 64 7.968 -2.418 -5.811 1.00 0.00 O ATOM 1021 CB LEU A 64 6.477 -2.743 -8.186 1.00 0.00 C ATOM 1022 CG LEU A 64 5.338 -2.955 -9.184 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.163 -1.736 -10.075 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.606 -4.194 -10.024 1.00 0.00 C ATOM 0 H LEU A 64 4.803 -3.312 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 64 6.912 -4.780 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.301 -1.815 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.409 -2.618 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 64 4.413 -3.099 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.347 -1.912 -10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.932 -0.866 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.084 -1.555 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.790 -4.337 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.541 -4.069 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.679 -5.066 -9.374 1.00 0.00 H new ATOM 1036 N VAL A 65 8.473 -4.622 -5.820 1.00 0.00 N ATOM 1037 CA VAL A 65 9.519 -4.573 -4.805 1.00 0.00 C ATOM 1038 C VAL A 65 10.518 -3.440 -5.033 1.00 0.00 C ATOM 1039 O VAL A 65 10.873 -2.730 -4.097 1.00 0.00 O ATOM 1040 CB VAL A 65 10.277 -5.913 -4.754 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.456 -5.843 -3.795 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.334 -7.035 -4.362 1.00 0.00 C ATOM 0 H VAL A 65 8.336 -5.552 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 65 9.018 -4.384 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 65 10.671 -6.118 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.971 -6.804 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.146 -5.066 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.097 -5.609 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.882 -7.977 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.911 -6.828 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.531 -7.108 -5.095 1.00 0.00 H new ATOM 1052 N ASP A 66 10.961 -3.271 -6.271 1.00 0.00 N ATOM 1053 CA ASP A 66 11.981 -2.274 -6.591 1.00 0.00 C ATOM 1054 C ASP A 66 11.506 -0.865 -6.248 1.00 0.00 C ATOM 1055 O ASP A 66 12.192 -0.125 -5.539 1.00 0.00 O ATOM 1056 CB ASP A 66 12.354 -2.362 -8.067 1.00 0.00 C ATOM 1057 CG ASP A 66 13.498 -1.438 -8.442 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.234 -0.294 -8.868 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.668 -1.859 -8.323 1.00 0.00 O ATOM 0 H ASP A 66 10.632 -3.810 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 66 12.863 -2.486 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.629 -3.389 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.482 -2.116 -8.673 1.00 0.00 H new ATOM 1064 N ASN A 67 10.323 -0.503 -6.732 1.00 0.00 N ATOM 1065 CA ASN A 67 9.746 0.806 -6.441 1.00 0.00 C ATOM 1066 C ASN A 67 9.432 0.926 -4.955 1.00 0.00 C ATOM 1067 O ASN A 67 9.574 1.993 -4.364 1.00 0.00 O ATOM 1068 CB ASN A 67 8.475 1.036 -7.260 1.00 0.00 C ATOM 1069 CG ASN A 67 8.745 1.271 -8.735 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.746 0.810 -9.285 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.847 1.988 -9.389 1.00 0.00 N ATOM 0 H ASN A 67 9.745 -1.096 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 67 10.477 1.566 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.820 0.172 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.940 1.895 -6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.971 2.176 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.030 2.353 -8.899 1.00 0.00 H new ATOM 1078 N LEU A 68 9.023 -0.190 -4.364 1.00 0.00 N ATOM 1079 CA LEU A 68 8.671 -0.243 -2.948 1.00 0.00 C ATOM 1080 C LEU A 68 9.856 0.120 -2.066 1.00 0.00 C ATOM 1081 O LEU A 68 9.725 0.899 -1.126 1.00 0.00 O ATOM 1082 CB LEU A 68 8.145 -1.633 -2.591 1.00 0.00 C ATOM 1083 CG LEU A 68 6.671 -1.858 -2.920 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.340 -3.339 -2.906 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.797 -1.117 -1.927 1.00 0.00 C ATOM 0 H LEU A 68 8.926 -1.082 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 68 7.887 0.493 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.740 -2.379 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.296 -1.801 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 68 6.477 -1.471 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.285 -3.478 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.950 -3.855 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.547 -3.749 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.748 -1.284 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.999 -1.483 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.015 -0.050 -1.975 1.00 0.00 H new ATOM 1097 N VAL A 69 11.012 -0.439 -2.379 1.00 0.00 N ATOM 1098 CA VAL A 69 12.230 -0.147 -1.645 1.00 0.00 C ATOM 1099 C VAL A 69 12.682 1.290 -1.897 1.00 0.00 C ATOM 1100 O VAL A 69 13.130 1.977 -0.988 1.00 0.00 O ATOM 1101 CB VAL A 69 13.349 -1.121 -2.044 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.633 -0.799 -1.310 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.925 -2.550 -1.763 1.00 0.00 C ATOM 0 H VAL A 69 11.132 -1.103 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 69 12.018 -0.268 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 69 13.532 -1.011 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.410 -1.503 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.948 0.215 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.467 -0.877 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.727 -3.231 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.715 -2.665 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.028 -2.783 -2.337 1.00 0.00 H new ATOM 1113 N HIS A 70 12.535 1.748 -3.132 1.00 0.00 N ATOM 1114 CA HIS A 70 12.936 3.110 -3.495 1.00 0.00 C ATOM 1115 C HIS A 70 12.083 4.152 -2.772 1.00 0.00 C ATOM 1116 O HIS A 70 12.533 5.269 -2.505 1.00 0.00 O ATOM 1117 CB HIS A 70 12.837 3.316 -5.010 1.00 0.00 C ATOM 1118 CG HIS A 70 13.950 2.673 -5.782 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.324 3.087 -7.041 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.770 1.640 -5.471 1.00 0.00 C ATOM 1121 CE1 HIS A 70 15.321 2.340 -7.469 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.612 1.454 -6.536 1.00 0.00 N ATOM 0 H HIS A 70 12.143 1.203 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 70 13.973 3.241 -3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.886 2.916 -5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.830 4.385 -5.222 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.762 1.069 -4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.817 2.437 -8.424 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.344 0.746 -6.597 1.00 0.00 H new ATOM 1131 N GLN A 71 10.855 3.774 -2.460 1.00 0.00 N ATOM 1132 CA GLN A 71 9.920 4.658 -1.780 1.00 0.00 C ATOM 1133 C GLN A 71 10.089 4.563 -0.266 1.00 0.00 C ATOM 1134 O GLN A 71 10.396 5.550 0.400 1.00 0.00 O ATOM 1135 CB GLN A 71 8.485 4.286 -2.161 1.00 0.00 C ATOM 1136 CG GLN A 71 7.449 5.325 -1.753 1.00 0.00 C ATOM 1137 CD GLN A 71 7.633 6.660 -2.450 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.117 6.729 -3.577 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.247 7.736 -1.780 1.00 0.00 N ATOM 0 H GLN A 71 10.478 2.850 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 71 10.127 5.682 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.432 4.139 -3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.232 3.333 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.453 4.941 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.500 5.476 -0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.849 7.640 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.348 8.661 -2.199 1.00 0.00 H new ATOM 1148 N LEU A 72 9.888 3.365 0.262 1.00 0.00 N ATOM 1149 CA LEU A 72 9.937 3.132 1.702 1.00 0.00 C ATOM 1150 C LEU A 72 11.335 3.361 2.271 1.00 0.00 C ATOM 1151 O LEU A 72 11.501 4.098 3.245 1.00 0.00 O ATOM 1152 CB LEU A 72 9.462 1.714 2.029 1.00 0.00 C ATOM 1153 CG LEU A 72 7.986 1.439 1.732 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.672 -0.035 1.933 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.087 2.293 2.615 1.00 0.00 C ATOM 0 H LEU A 72 9.687 2.531 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 72 9.268 3.854 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.068 1.005 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.646 1.520 3.086 1.00 0.00 H new ATOM 0 HG LEU A 72 7.794 1.702 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.619 -0.215 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.287 -0.633 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.885 -0.315 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.043 2.080 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.282 2.064 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.291 3.348 2.430 1.00 0.00 H new ATOM 1167 N ALA A 73 12.343 2.747 1.658 1.00 0.00 N ATOM 1168 CA ALA A 73 13.718 2.865 2.130 1.00 0.00 C ATOM 1169 C ALA A 73 14.359 4.186 1.703 1.00 0.00 C ATOM 1170 O ALA A 73 15.580 4.279 1.566 1.00 0.00 O ATOM 1171 CB ALA A 73 14.541 1.701 1.622 1.00 0.00 C ATOM 0 H ALA A 73 12.232 2.161 0.831 1.00 0.00 H new ATOM 0 HA ALA A 73 13.694 2.849 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.566 1.797 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.115 0.767 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.535 1.699 0.532 1.00 0.00 H new ATOM 1177 N HIS A 74 13.536 5.204 1.497 1.00 0.00 N ATOM 1178 CA HIS A 74 14.027 6.510 1.101 1.00 0.00 C ATOM 1179 C HIS A 74 14.640 7.202 2.313 1.00 0.00 C ATOM 1180 O HIS A 74 13.954 7.905 3.057 1.00 0.00 O ATOM 1181 CB HIS A 74 12.885 7.341 0.519 1.00 0.00 C ATOM 1182 CG HIS A 74 13.319 8.307 -0.540 1.00 0.00 C ATOM 1183 ND1 HIS A 74 13.398 7.963 -1.872 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.696 9.608 -0.467 1.00 0.00 C ATOM 1185 CE1 HIS A 74 13.806 9.006 -2.570 1.00 0.00 C ATOM 1186 NE2 HIS A 74 13.993 10.016 -1.743 1.00 0.00 N ATOM 0 H HIS A 74 12.523 5.147 1.599 1.00 0.00 H new ATOM 0 HA HIS A 74 14.792 6.401 0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.136 6.669 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.402 7.893 1.325 1.00 0.00 H new ATOM 0 HD1 HIS A 74 13.176 7.045 -2.258 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.752 10.210 0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.961 9.029 -3.639 1.00 0.00 H new ATOM 1195 N GLY A 75 15.929 6.974 2.514 1.00 0.00 N ATOM 1196 CA GLY A 75 16.602 7.482 3.691 1.00 0.00 C ATOM 1197 C GLY A 75 16.781 6.407 4.746 1.00 0.00 C ATOM 1198 O GLY A 75 16.816 6.702 5.943 1.00 0.00 O ATOM 0 H GLY A 75 16.524 6.443 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.577 7.880 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.028 8.309 4.109 1.00 0.00 H new ATOM 1202 N ARG A 76 16.880 5.158 4.293 1.00 0.00 N ATOM 1203 CA ARG A 76 17.098 4.007 5.170 1.00 0.00 C ATOM 1204 C ARG A 76 17.714 2.859 4.376 1.00 0.00 C ATOM 1205 O ARG A 76 17.771 2.918 3.147 1.00 0.00 O ATOM 1206 CB ARG A 76 15.787 3.559 5.826 1.00 0.00 C ATOM 1207 CG ARG A 76 15.580 4.125 7.221 1.00 0.00 C ATOM 1208 CD ARG A 76 14.377 3.505 7.901 1.00 0.00 C ATOM 1209 NE ARG A 76 14.184 4.014 9.257 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.268 3.544 10.103 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.471 2.546 9.737 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.152 4.066 11.317 1.00 0.00 N ATOM 0 H ARG A 76 16.811 4.915 3.305 1.00 0.00 H new ATOM 0 HA ARG A 76 17.786 4.303 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.952 3.860 5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.770 2.470 5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.471 3.946 7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.448 5.205 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.484 3.706 7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.500 2.422 7.935 1.00 0.00 H new ATOM 0 HE ARG A 76 14.786 4.774 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.559 2.138 8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.771 2.188 10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.765 4.829 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.450 3.704 11.963 1.00 0.00 H new ATOM 1226 N ASP A 77 18.179 1.823 5.074 1.00 0.00 N ATOM 1227 CA ASP A 77 18.812 0.681 4.420 1.00 0.00 C ATOM 1228 C ASP A 77 17.824 -0.059 3.534 1.00 0.00 C ATOM 1229 O ASP A 77 16.782 -0.540 3.987 1.00 0.00 O ATOM 1230 CB ASP A 77 19.411 -0.277 5.446 1.00 0.00 C ATOM 1231 CG ASP A 77 20.127 -1.440 4.787 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.302 -1.272 4.391 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.526 -2.527 4.660 1.00 0.00 O ATOM 0 H ASP A 77 18.129 1.752 6.090 1.00 0.00 H new ATOM 0 HA ASP A 77 19.617 1.068 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.110 0.265 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.620 -0.657 6.092 1.00 0.00 H new ATOM 1238 N ALA A 78 18.178 -0.139 2.265 1.00 0.00 N ATOM 1239 CA ALA A 78 17.327 -0.720 1.242 1.00 0.00 C ATOM 1240 C ALA A 78 17.118 -2.217 1.442 1.00 0.00 C ATOM 1241 O ALA A 78 16.024 -2.729 1.216 1.00 0.00 O ATOM 1242 CB ALA A 78 17.934 -0.460 -0.120 1.00 0.00 C ATOM 0 H ALA A 78 19.073 0.200 1.911 1.00 0.00 H new ATOM 0 HA ALA A 78 16.347 -0.248 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.298 -0.895 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.018 0.615 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.924 -0.912 -0.169 1.00 0.00 H new ATOM 1248 N GLU A 79 18.163 -2.906 1.874 1.00 0.00 N ATOM 1249 CA GLU A 79 18.130 -4.360 1.994 1.00 0.00 C ATOM 1250 C GLU A 79 17.178 -4.807 3.097 1.00 0.00 C ATOM 1251 O GLU A 79 16.410 -5.756 2.916 1.00 0.00 O ATOM 1252 CB GLU A 79 19.533 -4.903 2.241 1.00 0.00 C ATOM 1253 CG GLU A 79 20.447 -4.748 1.039 1.00 0.00 C ATOM 1254 CD GLU A 79 21.864 -5.199 1.316 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.654 -4.391 1.841 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.202 -6.360 0.997 1.00 0.00 O ATOM 0 H GLU A 79 19.049 -2.482 2.149 1.00 0.00 H new ATOM 0 HA GLU A 79 17.758 -4.766 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.972 -4.386 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.467 -5.958 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.044 -5.324 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.458 -3.703 0.729 1.00 0.00 H new ATOM 1263 N GLU A 80 17.230 -4.127 4.236 1.00 0.00 N ATOM 1264 CA GLU A 80 16.306 -4.404 5.330 1.00 0.00 C ATOM 1265 C GLU A 80 14.863 -4.207 4.883 1.00 0.00 C ATOM 1266 O GLU A 80 14.019 -5.091 5.064 1.00 0.00 O ATOM 1267 CB GLU A 80 16.609 -3.508 6.526 1.00 0.00 C ATOM 1268 CG GLU A 80 17.807 -3.966 7.335 1.00 0.00 C ATOM 1269 CD GLU A 80 17.618 -5.355 7.905 1.00 0.00 C ATOM 1270 OE1 GLU A 80 18.353 -6.275 7.496 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.721 -5.536 8.756 1.00 0.00 O ATOM 0 H GLU A 80 17.900 -3.382 4.426 1.00 0.00 H new ATOM 0 HA GLU A 80 16.438 -5.444 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.785 -2.492 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.734 -3.473 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.695 -3.953 6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.983 -3.263 8.149 1.00 0.00 H new ATOM 1278 N VAL A 81 14.598 -3.053 4.285 1.00 0.00 N ATOM 1279 CA VAL A 81 13.272 -2.724 3.787 1.00 0.00 C ATOM 1280 C VAL A 81 12.806 -3.735 2.740 1.00 0.00 C ATOM 1281 O VAL A 81 11.685 -4.233 2.811 1.00 0.00 O ATOM 1282 CB VAL A 81 13.264 -1.307 3.196 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.947 -0.995 2.509 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.548 -0.298 4.290 1.00 0.00 C ATOM 0 H VAL A 81 15.294 -2.323 4.133 1.00 0.00 H new ATOM 0 HA VAL A 81 12.578 -2.765 4.626 1.00 0.00 H new ATOM 0 HB VAL A 81 14.045 -1.247 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.979 0.016 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.782 -1.706 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.133 -1.071 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.542 0.707 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.782 -0.373 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.525 -0.502 4.728 1.00 0.00 H new ATOM 1294 N ARG A 82 13.679 -4.042 1.782 1.00 0.00 N ATOM 1295 CA ARG A 82 13.390 -5.023 0.741 1.00 0.00 C ATOM 1296 C ARG A 82 12.973 -6.360 1.347 1.00 0.00 C ATOM 1297 O ARG A 82 12.001 -6.975 0.910 1.00 0.00 O ATOM 1298 CB ARG A 82 14.620 -5.219 -0.141 1.00 0.00 C ATOM 1299 CG ARG A 82 14.340 -6.057 -1.369 1.00 0.00 C ATOM 1300 CD ARG A 82 15.565 -6.178 -2.254 1.00 0.00 C ATOM 1301 NE ARG A 82 16.070 -4.874 -2.688 1.00 0.00 N ATOM 1302 CZ ARG A 82 15.842 -4.345 -3.893 1.00 0.00 C ATOM 1303 NH1 ARG A 82 15.068 -4.979 -4.767 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.388 -3.181 -4.220 1.00 0.00 N ATOM 0 H ARG A 82 14.604 -3.618 1.707 1.00 0.00 H new ATOM 0 HA ARG A 82 12.563 -4.647 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.997 -4.244 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.408 -5.694 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.011 -7.051 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.523 -5.610 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.350 -6.707 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.320 -6.779 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 82 16.631 -4.335 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.645 -5.873 -4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.897 -4.571 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.982 -2.690 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.214 -2.777 -5.140 1.00 0.00 H new ATOM 1318 N THR A 83 13.705 -6.784 2.365 1.00 0.00 N ATOM 1319 CA THR A 83 13.458 -8.058 3.026 1.00 0.00 C ATOM 1320 C THR A 83 12.062 -8.099 3.649 1.00 0.00 C ATOM 1321 O THR A 83 11.275 -9.014 3.386 1.00 0.00 O ATOM 1322 CB THR A 83 14.527 -8.293 4.111 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.786 -8.587 3.492 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.137 -9.414 5.061 1.00 0.00 C ATOM 0 H THR A 83 14.486 -6.257 2.756 1.00 0.00 H new ATOM 0 HA THR A 83 13.514 -8.849 2.278 1.00 0.00 H new ATOM 0 HB THR A 83 14.610 -7.380 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.223 -7.751 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.919 -9.545 5.809 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.199 -9.162 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.013 -10.340 4.500 1.00 0.00 H new ATOM 1332 N GLU A 84 11.766 -7.097 4.467 1.00 0.00 N ATOM 1333 CA GLU A 84 10.483 -7.007 5.152 1.00 0.00 C ATOM 1334 C GLU A 84 9.319 -6.873 4.164 1.00 0.00 C ATOM 1335 O GLU A 84 8.238 -7.417 4.400 1.00 0.00 O ATOM 1336 CB GLU A 84 10.508 -5.839 6.136 1.00 0.00 C ATOM 1337 CG GLU A 84 11.594 -5.993 7.187 1.00 0.00 C ATOM 1338 CD GLU A 84 11.706 -4.807 8.119 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.852 -4.668 9.018 1.00 0.00 O ATOM 1340 OE2 GLU A 84 12.661 -4.017 7.972 1.00 0.00 O ATOM 0 H GLU A 84 12.404 -6.328 4.673 1.00 0.00 H new ATOM 0 HA GLU A 84 10.322 -7.933 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.664 -4.909 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.538 -5.760 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.395 -6.889 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.551 -6.145 6.689 1.00 0.00 H new ATOM 1347 N VAL A 85 9.541 -6.154 3.062 1.00 0.00 N ATOM 1348 CA VAL A 85 8.553 -6.063 1.991 1.00 0.00 C ATOM 1349 C VAL A 85 8.244 -7.443 1.415 1.00 0.00 C ATOM 1350 O VAL A 85 7.082 -7.828 1.295 1.00 0.00 O ATOM 1351 CB VAL A 85 9.041 -5.141 0.852 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.218 -5.351 -0.409 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.981 -3.688 1.289 1.00 0.00 C ATOM 0 H VAL A 85 10.397 -5.627 2.890 1.00 0.00 H new ATOM 0 HA VAL A 85 7.648 -5.640 2.427 1.00 0.00 H new ATOM 0 HB VAL A 85 10.076 -5.397 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.582 -4.690 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.309 -6.387 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.172 -5.127 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.328 -3.049 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.954 -3.427 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.618 -3.544 2.161 1.00 0.00 H new ATOM 1363 N LEU A 86 9.295 -8.185 1.075 1.00 0.00 N ATOM 1364 CA LEU A 86 9.159 -9.510 0.473 1.00 0.00 C ATOM 1365 C LEU A 86 8.362 -10.458 1.364 1.00 0.00 C ATOM 1366 O LEU A 86 7.656 -11.336 0.874 1.00 0.00 O ATOM 1367 CB LEU A 86 10.539 -10.102 0.197 1.00 0.00 C ATOM 1368 CG LEU A 86 11.323 -9.412 -0.911 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.779 -9.843 -0.870 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.713 -9.733 -2.263 1.00 0.00 C ATOM 0 H LEU A 86 10.261 -7.887 1.208 1.00 0.00 H new ATOM 0 HA LEU A 86 8.614 -9.392 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.125 -10.063 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.422 -11.154 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 86 11.276 -8.334 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.329 -9.343 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.211 -9.573 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.843 -10.922 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.283 -9.234 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.738 -10.810 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.680 -9.386 -2.288 1.00 0.00 H new ATOM 1382 N LYS A 87 8.463 -10.264 2.674 1.00 0.00 N ATOM 1383 CA LYS A 87 7.748 -11.106 3.631 1.00 0.00 C ATOM 1384 C LYS A 87 6.267 -10.750 3.661 1.00 0.00 C ATOM 1385 O LYS A 87 5.444 -11.472 4.229 1.00 0.00 O ATOM 1386 CB LYS A 87 8.362 -10.966 5.023 1.00 0.00 C ATOM 1387 CG LYS A 87 9.760 -11.550 5.116 1.00 0.00 C ATOM 1388 CD LYS A 87 10.368 -11.344 6.489 1.00 0.00 C ATOM 1389 CE LYS A 87 11.738 -11.989 6.575 1.00 0.00 C ATOM 1390 NZ LYS A 87 12.282 -11.967 7.956 1.00 0.00 N ATOM 0 H LYS A 87 9.032 -9.532 3.099 1.00 0.00 H new ATOM 0 HA LYS A 87 7.841 -12.144 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.396 -9.911 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.718 -11.462 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.724 -12.616 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.398 -11.087 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.450 -10.278 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.713 -11.769 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.675 -13.020 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.425 -11.469 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.219 -12.418 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.368 -10.982 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.641 -12.485 8.590 1.00 0.00 H new ATOM 1404 N CYS A 88 5.940 -9.641 3.029 1.00 0.00 N ATOM 1405 CA CYS A 88 4.563 -9.197 2.919 1.00 0.00 C ATOM 1406 C CYS A 88 4.046 -9.425 1.506 1.00 0.00 C ATOM 1407 O CYS A 88 2.858 -9.255 1.227 1.00 0.00 O ATOM 1408 CB CYS A 88 4.452 -7.729 3.313 1.00 0.00 C ATOM 1409 SG CYS A 88 4.386 -7.474 5.112 1.00 0.00 S ATOM 0 H CYS A 88 6.616 -9.024 2.579 1.00 0.00 H new ATOM 0 HA CYS A 88 3.946 -9.781 3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.304 -7.185 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.557 -7.304 2.859 1.00 0.00 H new ATOM 1414 N VAL A 89 4.953 -9.809 0.615 1.00 0.00 N ATOM 1415 CA VAL A 89 4.589 -10.161 -0.740 1.00 0.00 C ATOM 1416 C VAL A 89 4.042 -11.583 -0.771 1.00 0.00 C ATOM 1417 O VAL A 89 4.795 -12.558 -0.730 1.00 0.00 O ATOM 1418 CB VAL A 89 5.788 -10.038 -1.701 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.386 -10.452 -3.106 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.333 -8.619 -1.707 1.00 0.00 C ATOM 0 H VAL A 89 5.951 -9.883 0.815 1.00 0.00 H new ATOM 0 HA VAL A 89 3.822 -9.463 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 89 6.574 -10.706 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.244 -10.359 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.044 -11.487 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.581 -9.807 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.178 -8.557 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.552 -7.931 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.660 -8.351 -0.702 1.00 0.00 H new ATOM 1430 N ASP A 90 2.730 -11.690 -0.809 1.00 0.00 N ATOM 1431 CA ASP A 90 2.072 -12.986 -0.829 1.00 0.00 C ATOM 1432 C ASP A 90 1.467 -13.263 -2.190 1.00 0.00 C ATOM 1433 O ASP A 90 1.414 -12.384 -3.051 1.00 0.00 O ATOM 1434 CB ASP A 90 0.987 -13.080 0.249 1.00 0.00 C ATOM 1435 CG ASP A 90 1.541 -13.474 1.606 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.890 -14.660 1.782 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.612 -12.612 2.506 1.00 0.00 O ATOM 0 H ASP A 90 2.093 -10.893 -0.827 1.00 0.00 H new ATOM 0 HA ASP A 90 2.833 -13.738 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.480 -12.119 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.238 -13.809 -0.058 1.00 0.00 H new ATOM 1442 N LYS A 91 1.016 -14.492 -2.366 1.00 0.00 N ATOM 1443 CA LYS A 91 0.422 -14.936 -3.612 1.00 0.00 C ATOM 1444 C LYS A 91 -1.062 -14.602 -3.632 1.00 0.00 C ATOM 1445 O LYS A 91 -1.715 -14.560 -2.586 1.00 0.00 O ATOM 1446 CB LYS A 91 0.605 -16.445 -3.750 1.00 0.00 C ATOM 1447 CG LYS A 91 1.046 -16.883 -5.130 1.00 0.00 C ATOM 1448 CD LYS A 91 1.334 -18.375 -5.171 1.00 0.00 C ATOM 1449 CE LYS A 91 2.527 -18.733 -4.298 1.00 0.00 C ATOM 1450 NZ LYS A 91 3.758 -18.014 -4.720 1.00 0.00 N ATOM 0 H LYS A 91 1.052 -15.213 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 91 0.912 -14.427 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.341 -16.781 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.335 -16.940 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.270 -16.640 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.939 -16.330 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.456 -18.926 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.528 -18.682 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.303 -18.490 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.701 -19.808 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.591 -18.482 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.830 -18.028 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.715 -17.029 -4.389 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.589 -14.377 -4.826 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.002 -14.063 -5.004 1.00 0.00 C ATOM 1466 C ASN A 92 -3.854 -15.323 -4.865 1.00 0.00 C ATOM 1467 O ASN A 92 -4.496 -15.769 -5.817 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.232 -13.413 -6.372 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.663 -12.941 -6.581 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.385 -12.641 -5.629 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.074 -12.870 -7.838 1.00 0.00 N ATOM 0 H ASN A 92 -1.055 -14.406 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.300 -13.359 -4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.557 -12.564 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.975 -14.127 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.022 -12.557 -8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.443 -13.128 -8.596 1.00 0.00 H new ATOM 1478 N THR A 93 -3.848 -15.897 -3.671 1.00 0.00 N ATOM 1479 CA THR A 93 -4.677 -17.055 -3.370 1.00 0.00 C ATOM 1480 C THR A 93 -6.121 -16.626 -3.165 1.00 0.00 C ATOM 1481 O THR A 93 -7.045 -17.435 -3.244 1.00 0.00 O ATOM 1482 CB THR A 93 -4.181 -17.778 -2.106 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.078 -16.850 -1.016 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.835 -18.431 -2.350 1.00 0.00 C ATOM 0 H THR A 93 -3.275 -15.577 -2.890 1.00 0.00 H new ATOM 0 HA THR A 93 -4.612 -17.740 -4.215 1.00 0.00 H new ATOM 0 HB THR A 93 -4.903 -18.555 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.355 -17.129 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.505 -18.936 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.924 -19.158 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.106 -17.669 -2.627 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.300 -15.336 -2.910 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.622 -14.773 -2.680 1.00 0.00 C ATOM 1494 C ASP A 94 -8.386 -14.681 -3.988 1.00 0.00 C ATOM 1495 O ASP A 94 -9.616 -14.609 -4.001 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.515 -13.383 -2.047 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.748 -13.398 -0.743 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -5.694 -12.731 -0.658 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -7.192 -14.077 0.203 1.00 0.00 O ATOM 0 H ASP A 94 -5.540 -14.657 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.158 -15.430 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.024 -12.706 -2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.516 -12.989 -1.872 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.625 -14.689 -5.080 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.164 -14.620 -6.434 1.00 0.00 C ATOM 1506 C ASN A 95 -8.876 -13.299 -6.683 1.00 0.00 C ATOM 1507 O ASN A 95 -9.658 -13.174 -7.623 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.100 -15.797 -6.714 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.382 -17.129 -6.692 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.199 -17.223 -7.029 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.092 -18.171 -6.303 1.00 0.00 N ATOM 0 H ASN A 95 -6.607 -14.744 -5.048 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.322 -14.681 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.898 -15.806 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.571 -15.658 -7.687 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.665 -19.097 -6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.068 -18.051 -6.032 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.569 -12.306 -5.860 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.178 -10.989 -5.979 1.00 0.00 C ATOM 1520 C ASN A 96 -8.105 -9.917 -5.836 1.00 0.00 C ATOM 1521 O ASN A 96 -7.456 -9.805 -4.793 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.277 -10.811 -4.920 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.785 -9.379 -4.831 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.256 -8.567 -4.074 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.817 -9.062 -5.594 1.00 0.00 N ATOM 0 H ASN A 96 -7.897 -12.389 -5.097 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.641 -10.892 -6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -11.111 -11.473 -5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.891 -11.116 -3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.200 -8.117 -5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.230 -9.762 -6.210 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.927 -9.142 -6.897 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.847 -8.168 -6.980 1.00 0.00 C ATOM 1534 C ALA A 97 -6.965 -7.080 -5.918 1.00 0.00 C ATOM 1535 O ALA A 97 -5.954 -6.575 -5.430 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.814 -7.548 -8.364 1.00 0.00 C ATOM 0 H ALA A 97 -8.525 -9.170 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.914 -8.699 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.004 -6.821 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.652 -8.328 -9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.763 -7.049 -8.562 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.192 -6.711 -5.564 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.399 -5.696 -4.536 1.00 0.00 C ATOM 1544 C CYS A 98 -7.866 -6.177 -3.191 1.00 0.00 C ATOM 1545 O CYS A 98 -7.236 -5.414 -2.459 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.876 -5.308 -4.407 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.605 -4.609 -5.925 1.00 0.00 S ATOM 0 H CYS A 98 -9.048 -7.093 -5.967 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.846 -4.808 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.447 -6.190 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.979 -4.582 -3.601 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.084 -7.449 -2.877 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.624 -7.993 -1.609 1.00 0.00 C ATOM 1554 C HIS A 99 -6.130 -8.267 -1.664 1.00 0.00 C ATOM 1555 O HIS A 99 -5.471 -8.290 -0.637 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.370 -9.282 -1.247 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.134 -9.730 0.169 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.147 -10.626 0.528 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.757 -9.386 1.324 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.174 -10.808 1.834 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.140 -10.069 2.340 1.00 0.00 N ATOM 0 H HIS A 99 -8.571 -8.115 -3.477 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.830 -7.250 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.439 -9.130 -1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.061 -10.075 -1.928 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.498 -11.077 -0.117 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.586 -8.701 1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.515 -11.454 2.394 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.607 -8.479 -2.863 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.184 -8.760 -3.037 1.00 0.00 C ATOM 1572 C TRP A 100 -3.347 -7.526 -2.693 1.00 0.00 C ATOM 1573 O TRP A 100 -2.416 -7.597 -1.889 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.898 -9.219 -4.473 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.503 -9.738 -4.673 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.593 -10.042 -3.701 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.868 -10.035 -5.922 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.430 -10.494 -4.268 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.574 -10.506 -5.630 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.268 -9.947 -7.258 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.321 -10.888 -6.627 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.380 -10.327 -8.245 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.099 -10.794 -7.927 1.00 0.00 C ATOM 0 H TRP A 100 -6.143 -8.462 -3.730 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.907 -9.565 -2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.609 -9.999 -4.744 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.067 -8.384 -5.153 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.765 -9.941 -2.640 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.407 -10.776 -3.758 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.254 -9.588 -7.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.311 -11.245 -6.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.679 -10.263 -9.281 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.571 -11.086 -8.722 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.697 -6.396 -3.296 1.00 0.00 N ATOM 1595 CA ALA A 101 -3.018 -5.137 -3.021 1.00 0.00 C ATOM 1596 C ALA A 101 -3.205 -4.744 -1.562 1.00 0.00 C ATOM 1597 O ALA A 101 -2.285 -4.249 -0.908 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.546 -4.046 -3.939 1.00 0.00 C ATOM 0 H ALA A 101 -4.450 -6.327 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.952 -5.264 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.031 -3.109 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.370 -4.327 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.616 -3.918 -3.774 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.403 -4.998 -1.060 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.745 -4.699 0.321 1.00 0.00 C ATOM 1606 C PHE A 102 -3.999 -5.636 1.272 1.00 0.00 C ATOM 1607 O PHE A 102 -3.706 -5.284 2.410 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.256 -4.829 0.505 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.755 -4.435 1.870 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.789 -3.102 2.246 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.200 -5.392 2.770 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.255 -2.729 3.492 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.666 -5.024 4.019 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.694 -3.690 4.380 1.00 0.00 C ATOM 0 H PHE A 102 -5.163 -5.416 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.444 -3.678 0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.755 -4.212 -0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.545 -5.862 0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.447 -2.345 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.182 -6.436 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.276 -1.686 3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.008 -5.779 4.712 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.059 -3.400 5.355 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.679 -6.822 0.774 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.003 -7.851 1.553 1.00 0.00 C ATOM 1626 C ARG A 103 -1.566 -7.432 1.831 1.00 0.00 C ATOM 1627 O ARG A 103 -1.088 -7.519 2.965 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.038 -9.171 0.780 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.601 -10.379 1.578 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.853 -11.667 0.802 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.341 -12.848 1.491 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.562 -14.095 1.078 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.381 -14.325 0.052 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.988 -15.112 1.708 1.00 0.00 N ATOM 0 H ARG A 103 -3.882 -7.099 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.512 -7.983 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.053 -9.338 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.398 -9.080 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.541 -10.296 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.141 -10.409 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.924 -11.783 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.385 -11.593 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.784 -12.711 2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.840 -13.545 -0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.549 -15.281 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.379 -14.938 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.156 -16.067 1.393 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.894 -6.952 0.788 1.00 0.00 N ATOM 1649 CA GLY A 104 0.475 -6.487 0.928 1.00 0.00 C ATOM 1650 C GLY A 104 0.572 -5.275 1.835 1.00 0.00 C ATOM 1651 O GLY A 104 1.417 -5.222 2.734 1.00 0.00 O ATOM 0 H GLY A 104 -1.275 -6.877 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.092 -7.291 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.876 -6.238 -0.055 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.315 -4.312 1.611 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.337 -3.080 2.388 1.00 0.00 C ATOM 1657 C PHE A 105 -0.627 -3.366 3.862 1.00 0.00 C ATOM 1658 O PHE A 105 0.058 -2.858 4.751 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.376 -2.117 1.801 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.689 -0.932 2.674 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -3.003 -0.586 2.955 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.669 -0.166 3.215 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.290 0.501 3.756 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.953 0.921 4.017 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.264 1.256 4.287 1.00 0.00 C ATOM 0 H PHE A 105 -1.035 -4.363 0.890 1.00 0.00 H new ATOM 0 HA PHE A 105 0.646 -2.613 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.016 -1.758 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.298 -2.667 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.810 -1.173 2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.359 -0.422 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.317 0.760 3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.149 1.509 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.487 2.108 4.913 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.620 -4.209 4.106 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.065 -4.507 5.462 1.00 0.00 C ATOM 1677 C LYS A 106 -0.996 -5.273 6.242 1.00 0.00 C ATOM 1678 O LYS A 106 -0.862 -5.116 7.456 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.395 -5.279 5.420 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.707 -6.075 6.671 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.086 -6.709 6.592 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.396 -7.528 7.835 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.453 -8.665 8.001 1.00 0.00 N ATOM 0 H LYS A 106 -2.137 -4.702 3.378 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.230 -3.567 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.205 -4.571 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.378 -5.959 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.955 -6.852 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.654 -5.423 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.839 -5.930 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.144 -7.348 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.348 -6.885 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.416 -7.908 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.830 -9.328 8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.338 -9.157 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.530 -8.307 8.320 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.234 -6.098 5.539 1.00 0.00 N ATOM 1698 CA CYS A 107 0.842 -6.859 6.161 1.00 0.00 C ATOM 1699 C CYS A 107 1.976 -5.948 6.619 1.00 0.00 C ATOM 1700 O CYS A 107 2.460 -6.054 7.748 1.00 0.00 O ATOM 1701 CB CYS A 107 1.371 -7.915 5.187 1.00 0.00 C ATOM 1702 SG CYS A 107 2.913 -8.732 5.723 1.00 0.00 S ATOM 0 H CYS A 107 -0.340 -6.258 4.537 1.00 0.00 H new ATOM 0 HA CYS A 107 0.437 -7.356 7.042 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.603 -8.675 5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.541 -7.445 4.218 1.00 0.00 H new ATOM 1707 N PHE A 108 2.380 -5.036 5.746 1.00 0.00 N ATOM 1708 CA PHE A 108 3.545 -4.206 5.999 1.00 0.00 C ATOM 1709 C PHE A 108 3.251 -3.170 7.078 1.00 0.00 C ATOM 1710 O PHE A 108 4.056 -2.968 7.988 1.00 0.00 O ATOM 1711 CB PHE A 108 3.995 -3.527 4.708 1.00 0.00 C ATOM 1712 CG PHE A 108 5.381 -2.946 4.782 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.583 -1.620 5.129 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.486 -3.736 4.499 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.858 -1.093 5.193 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.763 -3.212 4.563 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.948 -1.890 4.909 1.00 0.00 C ATOM 0 H PHE A 108 1.916 -4.853 4.856 1.00 0.00 H new ATOM 0 HA PHE A 108 4.352 -4.844 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.957 -4.251 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.290 -2.733 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.734 -0.991 5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.347 -4.772 4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 108 7.002 -0.058 5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.615 -3.837 4.342 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.945 -1.479 4.958 1.00 0.00 H new ATOM 1727 N GLN A 109 2.085 -2.534 6.992 1.00 0.00 N ATOM 1728 CA GLN A 109 1.696 -1.518 7.964 1.00 0.00 C ATOM 1729 C GLN A 109 1.535 -2.130 9.353 1.00 0.00 C ATOM 1730 O GLN A 109 1.661 -1.441 10.365 1.00 0.00 O ATOM 1731 CB GLN A 109 0.405 -0.811 7.525 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.849 -1.675 7.540 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.717 -1.446 8.766 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.226 -1.097 9.839 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.016 -1.634 8.615 1.00 0.00 N ATOM 0 H GLN A 109 1.395 -2.704 6.260 1.00 0.00 H new ATOM 0 HA GLN A 109 2.490 -0.773 8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.242 0.048 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.547 -0.424 6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.435 -1.470 6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.560 -2.725 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.388 -1.923 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.647 -1.490 9.403 1.00 0.00 H new ATOM 1744 N LYS A 110 1.288 -3.434 9.385 1.00 0.00 N ATOM 1745 CA LYS A 110 1.109 -4.168 10.627 1.00 0.00 C ATOM 1746 C LYS A 110 2.373 -4.109 11.481 1.00 0.00 C ATOM 1747 O LYS A 110 2.309 -4.157 12.709 1.00 0.00 O ATOM 1748 CB LYS A 110 0.763 -5.620 10.300 1.00 0.00 C ATOM 1749 CG LYS A 110 0.525 -6.494 11.511 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.837 -6.233 12.134 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.090 -7.132 13.334 1.00 0.00 C ATOM 1752 NZ LYS A 110 -0.985 -8.576 12.990 1.00 0.00 N ATOM 0 H LYS A 110 1.206 -4.011 8.548 1.00 0.00 H new ATOM 0 HA LYS A 110 0.298 -3.713 11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.130 -5.636 9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.573 -6.050 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.598 -7.543 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.305 -6.311 12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.902 -5.189 12.441 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.615 -6.395 11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.373 -6.895 14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.083 -6.928 13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.391 -9.146 13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.506 -8.762 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.015 -8.830 12.861 1.00 0.00 H new ATOM 1766 N ASN A 111 3.521 -3.987 10.828 1.00 0.00 N ATOM 1767 CA ASN A 111 4.795 -4.011 11.532 1.00 0.00 C ATOM 1768 C ASN A 111 5.575 -2.720 11.318 1.00 0.00 C ATOM 1769 O ASN A 111 6.352 -2.308 12.180 1.00 0.00 O ATOM 1770 CB ASN A 111 5.639 -5.204 11.077 1.00 0.00 C ATOM 1771 CG ASN A 111 4.975 -6.537 11.368 1.00 0.00 C ATOM 1772 OD1 ASN A 111 5.177 -7.128 12.429 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.182 -7.026 10.427 1.00 0.00 N ATOM 0 H ASN A 111 3.596 -3.871 9.817 1.00 0.00 H new ATOM 0 HA ASN A 111 4.578 -4.108 12.596 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.828 -5.123 10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.608 -5.169 11.575 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.714 -7.921 10.569 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.039 -6.507 9.560 1.00 0.00 H new ATOM 1780 N ASN A 112 5.361 -2.077 10.179 1.00 0.00 N ATOM 1781 CA ASN A 112 6.166 -0.923 9.794 1.00 0.00 C ATOM 1782 C ASN A 112 5.305 0.204 9.236 1.00 0.00 C ATOM 1783 O ASN A 112 5.493 0.629 8.097 1.00 0.00 O ATOM 1784 CB ASN A 112 7.198 -1.338 8.743 1.00 0.00 C ATOM 1785 CG ASN A 112 8.293 -2.223 9.297 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.782 -2.009 10.405 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.665 -3.244 8.542 1.00 0.00 N ATOM 0 H ASN A 112 4.639 -2.333 9.506 1.00 0.00 H new ATOM 0 HA ASN A 112 6.668 -0.557 10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.691 -1.863 7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.647 -0.443 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.382 -3.889 8.874 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.234 -3.386 7.628 1.00 0.00 H new ATOM 1794 N LEU A 113 4.371 0.701 10.035 1.00 0.00 N ATOM 1795 CA LEU A 113 3.496 1.780 9.583 1.00 0.00 C ATOM 1796 C LEU A 113 4.219 3.124 9.649 1.00 0.00 C ATOM 1797 O LEU A 113 3.948 4.033 8.860 1.00 0.00 O ATOM 1798 CB LEU A 113 2.205 1.812 10.408 1.00 0.00 C ATOM 1799 CG LEU A 113 1.268 2.982 10.119 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.776 2.929 8.682 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.096 2.961 11.086 1.00 0.00 C ATOM 0 H LEU A 113 4.199 0.381 10.988 1.00 0.00 H new ATOM 0 HA LEU A 113 3.228 1.591 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.661 0.883 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.471 1.835 11.465 1.00 0.00 H new ATOM 0 HG LEU A 113 1.818 3.913 10.256 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.109 3.771 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.628 2.982 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.238 1.996 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.567 3.799 10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.453 2.026 10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.466 3.043 12.108 1.00 0.00 H new ATOM 1813 N SER A 114 5.156 3.232 10.578 1.00 0.00 N ATOM 1814 CA SER A 114 5.945 4.446 10.745 1.00 0.00 C ATOM 1815 C SER A 114 6.756 4.749 9.487 1.00 0.00 C ATOM 1816 O SER A 114 6.862 5.901 9.068 1.00 0.00 O ATOM 1817 CB SER A 114 6.865 4.290 11.955 1.00 0.00 C ATOM 1818 OG SER A 114 7.511 3.025 11.940 1.00 0.00 O ATOM 0 H SER A 114 5.391 2.487 11.234 1.00 0.00 H new ATOM 0 HA SER A 114 5.270 5.286 10.912 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.612 5.084 11.954 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.287 4.397 12.873 1.00 0.00 H new ATOM 0 HG SER A 114 6.970 2.376 12.436 1.00 0.00 H new ATOM 1824 N LEU A 115 7.301 3.703 8.870 1.00 0.00 N ATOM 1825 CA LEU A 115 8.095 3.857 7.661 1.00 0.00 C ATOM 1826 C LEU A 115 7.214 4.329 6.513 1.00 0.00 C ATOM 1827 O LEU A 115 7.645 5.102 5.659 1.00 0.00 O ATOM 1828 CB LEU A 115 8.763 2.534 7.294 1.00 0.00 C ATOM 1829 CG LEU A 115 9.742 2.600 6.123 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.937 3.463 6.484 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.190 1.204 5.722 1.00 0.00 C ATOM 0 H LEU A 115 7.205 2.740 9.191 1.00 0.00 H new ATOM 0 HA LEU A 115 8.869 4.603 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.294 2.159 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.986 1.807 7.056 1.00 0.00 H new ATOM 0 HG LEU A 115 9.234 3.052 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.626 3.501 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.599 4.471 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.445 3.037 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.887 1.271 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.682 0.723 6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.323 0.615 5.424 1.00 0.00 H new ATOM 1843 N ILE A 116 5.970 3.870 6.515 1.00 0.00 N ATOM 1844 CA ILE A 116 5.008 4.255 5.496 1.00 0.00 C ATOM 1845 C ILE A 116 4.711 5.749 5.593 1.00 0.00 C ATOM 1846 O ILE A 116 4.636 6.451 4.587 1.00 0.00 O ATOM 1847 CB ILE A 116 3.696 3.450 5.637 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.976 1.951 5.475 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.663 3.919 4.623 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.737 1.089 5.572 1.00 0.00 C ATOM 0 H ILE A 116 5.603 3.227 7.216 1.00 0.00 H new ATOM 0 HA ILE A 116 5.443 4.035 4.521 1.00 0.00 H new ATOM 0 HB ILE A 116 3.289 3.621 6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.452 1.781 4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.687 1.638 6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.748 3.339 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.446 4.975 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.054 3.780 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.012 0.042 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.272 1.229 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.033 1.374 4.790 1.00 0.00 H new ATOM 1862 N LYS A 117 4.579 6.228 6.820 1.00 0.00 N ATOM 1863 CA LYS A 117 4.329 7.636 7.075 1.00 0.00 C ATOM 1864 C LYS A 117 5.559 8.478 6.756 1.00 0.00 C ATOM 1865 O LYS A 117 5.452 9.570 6.203 1.00 0.00 O ATOM 1866 CB LYS A 117 3.919 7.833 8.533 1.00 0.00 C ATOM 1867 CG LYS A 117 2.534 7.282 8.847 1.00 0.00 C ATOM 1868 CD LYS A 117 2.206 7.385 10.329 1.00 0.00 C ATOM 1869 CE LYS A 117 0.779 6.945 10.619 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.478 6.945 12.073 1.00 0.00 N ATOM 0 H LYS A 117 4.642 5.655 7.662 1.00 0.00 H new ATOM 0 HA LYS A 117 3.518 7.965 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.651 7.347 9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.942 8.897 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.787 7.828 8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.478 6.239 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.900 6.768 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.345 8.413 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.084 7.609 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.620 5.945 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.504 6.639 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.123 6.292 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.604 7.905 12.454 1.00 0.00 H new ATOM 1884 N ALA A 118 6.728 7.958 7.104 1.00 0.00 N ATOM 1885 CA ALA A 118 7.983 8.667 6.892 1.00 0.00 C ATOM 1886 C ALA A 118 8.360 8.744 5.415 1.00 0.00 C ATOM 1887 O ALA A 118 8.901 9.750 4.963 1.00 0.00 O ATOM 1888 CB ALA A 118 9.088 7.993 7.676 1.00 0.00 C ATOM 0 H ALA A 118 6.834 7.041 7.538 1.00 0.00 H new ATOM 0 HA ALA A 118 7.849 9.690 7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.025 8.526 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.841 8.006 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.195 6.961 7.341 1.00 0.00 H new ATOM 1894 N SER A 119 8.078 7.682 4.673 1.00 0.00 N ATOM 1895 CA SER A 119 8.450 7.612 3.262 1.00 0.00 C ATOM 1896 C SER A 119 7.776 8.716 2.442 1.00 0.00 C ATOM 1897 O SER A 119 8.391 9.295 1.545 1.00 0.00 O ATOM 1898 CB SER A 119 8.104 6.236 2.684 1.00 0.00 C ATOM 1899 OG SER A 119 6.720 5.959 2.802 1.00 0.00 O ATOM 0 H SER A 119 7.593 6.856 5.022 1.00 0.00 H new ATOM 0 HA SER A 119 9.528 7.763 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.396 6.197 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.676 5.467 3.203 1.00 0.00 H new ATOM 0 HG SER A 119 6.379 6.345 3.636 1.00 0.00 H new ATOM 1905 N ILE A 120 6.519 9.016 2.759 1.00 0.00 N ATOM 1906 CA ILE A 120 5.776 10.042 2.035 1.00 0.00 C ATOM 1907 C ILE A 120 5.999 11.422 2.646 1.00 0.00 C ATOM 1908 O ILE A 120 5.592 12.435 2.076 1.00 0.00 O ATOM 1909 CB ILE A 120 4.261 9.747 2.007 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.718 9.575 3.424 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.981 8.506 1.175 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.209 9.587 3.498 1.00 0.00 C ATOM 0 H ILE A 120 5.996 8.565 3.509 1.00 0.00 H new ATOM 0 HA ILE A 120 6.155 10.030 1.013 1.00 0.00 H new ATOM 0 HB ILE A 120 3.753 10.596 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.086 8.634 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.111 10.373 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.909 8.310 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.331 8.665 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.502 7.652 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.894 9.460 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.834 10.537 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.809 8.772 2.895 1.00 0.00 H new ATOM 1924 N LYS A 121 6.625 11.459 3.811 1.00 0.00 N ATOM 1925 CA LYS A 121 6.892 12.712 4.484 1.00 0.00 C ATOM 1926 C LYS A 121 8.264 13.227 4.064 1.00 0.00 C ATOM 1927 O LYS A 121 9.267 12.529 4.207 1.00 0.00 O ATOM 1928 CB LYS A 121 6.826 12.513 6.000 1.00 0.00 C ATOM 1929 CG LYS A 121 6.384 13.750 6.782 1.00 0.00 C ATOM 1930 CD LYS A 121 7.387 14.890 6.693 1.00 0.00 C ATOM 1931 CE LYS A 121 6.912 16.112 7.462 1.00 0.00 C ATOM 1932 NZ LYS A 121 5.611 16.628 6.955 1.00 0.00 N ATOM 0 H LYS A 121 6.957 10.632 4.308 1.00 0.00 H new ATOM 0 HA LYS A 121 6.139 13.449 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.138 11.696 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 121 7.809 12.205 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.420 14.089 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.238 13.481 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.348 14.562 7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.546 15.156 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.813 15.859 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.664 16.898 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.442 17.580 7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.636 16.671 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.844 15.993 7.257 1.00 0.00 H new