USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 95 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -1.21! F(o=-7.9,f=-6.3!) USER MOD Set 2.2: A 88 MET CE :methyl -143:sc= -5.13! (180deg=-5.58!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -164:sc= -0.823 (180deg=-1.66!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-2.8!) USER MOD Single : A 31 THR OG1 : rot 43:sc= 0.208 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.733 USER MOD Single : A 41 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 47 SER OG : rot -140:sc=-0.00167 USER MOD Single : A 56 SER OG : rot 57:sc= 0.495 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 33:sc= 0.352 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -2.06 X(o=-2.1,f=-1.6) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= -1.92 (180deg=-1.98) USER MOD Single : A 101 LYS NZ :NH3+ -166:sc=-0.00847 (180deg=-0.255) USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= -0.553 (180deg=-1.53!) USER MOD Single : A 104 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.447 3.403 -15.063 1.00 0.00 N ATOM 60 CA GLY A 7 8.542 3.238 -13.938 1.00 0.00 C ATOM 61 C GLY A 7 7.424 2.250 -14.275 1.00 0.00 C ATOM 62 O GLY A 7 6.843 2.309 -15.358 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.097 2.883 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.111 4.202 -13.669 1.00 0.00 H new ATOM 66 N TYR A 8 7.155 1.364 -13.328 1.00 0.00 N ATOM 67 CA TYR A 8 6.117 0.364 -13.510 1.00 0.00 C ATOM 68 C TYR A 8 5.283 0.200 -12.238 1.00 0.00 C ATOM 69 O TYR A 8 5.656 0.701 -11.179 1.00 0.00 O ATOM 70 CB TYR A 8 6.844 -0.951 -13.802 1.00 0.00 C ATOM 71 CG TYR A 8 7.851 -1.356 -12.724 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.407 -1.780 -11.488 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.205 -1.299 -12.989 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.356 -2.161 -10.474 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.153 -1.681 -11.975 1.00 0.00 C ATOM 76 CZ TYR A 8 9.682 -2.093 -10.767 1.00 0.00 C ATOM 77 OH TYR A 8 10.578 -2.454 -9.810 1.00 0.00 O ATOM 0 H TYR A 8 7.639 1.318 -12.431 1.00 0.00 H new ATOM 0 HA TYR A 8 5.441 0.656 -14.314 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.106 -1.746 -13.913 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.364 -0.863 -14.756 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.348 -1.826 -11.281 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.553 -0.968 -13.956 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.022 -2.493 -9.502 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.215 -1.641 -12.169 1.00 0.00 H new ATOM 0 HH TYR A 8 11.488 -2.356 -10.160 1.00 0.00 H new ATOM 87 N VAL A 9 4.169 -0.502 -12.385 1.00 0.00 N ATOM 88 CA VAL A 9 3.279 -0.738 -11.261 1.00 0.00 C ATOM 89 C VAL A 9 3.147 -2.244 -11.028 1.00 0.00 C ATOM 90 O VAL A 9 3.499 -3.043 -11.894 1.00 0.00 O ATOM 91 CB VAL A 9 1.934 -0.050 -11.506 1.00 0.00 C ATOM 92 CG1 VAL A 9 1.747 0.276 -12.989 1.00 0.00 C ATOM 93 CG2 VAL A 9 0.778 -0.905 -10.982 1.00 0.00 C ATOM 0 H VAL A 9 3.862 -0.915 -13.266 1.00 0.00 H new ATOM 0 HA VAL A 9 3.690 -0.303 -10.350 1.00 0.00 H new ATOM 0 HB VAL A 9 1.933 0.890 -10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.784 0.764 -13.136 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.545 0.941 -13.319 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.779 -0.645 -13.571 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.166 -0.394 -11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.777 -1.868 -11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.899 -1.064 -9.910 1.00 0.00 H new ATOM 103 N PHE A 10 2.638 -2.586 -9.854 1.00 0.00 N ATOM 104 CA PHE A 10 2.454 -3.982 -9.495 1.00 0.00 C ATOM 105 C PHE A 10 1.233 -4.161 -8.591 1.00 0.00 C ATOM 106 O PHE A 10 0.986 -3.343 -7.706 1.00 0.00 O ATOM 107 CB PHE A 10 3.707 -4.416 -8.732 1.00 0.00 C ATOM 108 CG PHE A 10 3.820 -3.816 -7.329 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.310 -2.558 -7.165 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.430 -4.541 -6.246 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.415 -2.001 -5.863 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.535 -3.984 -4.944 1.00 0.00 C ATOM 113 CZ PHE A 10 4.025 -2.726 -4.780 1.00 0.00 C ATOM 0 H PHE A 10 2.347 -1.920 -9.138 1.00 0.00 H new ATOM 0 HA PHE A 10 2.297 -4.579 -10.393 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.713 -5.503 -8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.587 -4.133 -9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.619 -1.983 -8.025 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.041 -5.540 -6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.804 -1.002 -5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.226 -4.559 -4.084 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.105 -2.302 -3.790 1.00 0.00 H new ATOM 123 N THR A 11 0.501 -5.236 -8.845 1.00 0.00 N ATOM 124 CA THR A 11 -0.689 -5.532 -8.065 1.00 0.00 C ATOM 125 C THR A 11 -0.323 -6.345 -6.822 1.00 0.00 C ATOM 126 O THR A 11 0.692 -7.040 -6.807 1.00 0.00 O ATOM 127 CB THR A 11 -1.690 -6.239 -8.981 1.00 0.00 C ATOM 128 OG1 THR A 11 -2.024 -5.255 -9.956 1.00 0.00 O ATOM 129 CG2 THR A 11 -3.018 -6.534 -8.279 1.00 0.00 C ATOM 0 H THR A 11 0.709 -5.912 -9.580 1.00 0.00 H new ATOM 0 HA THR A 11 -1.155 -4.620 -7.692 1.00 0.00 H new ATOM 0 HB THR A 11 -1.255 -7.171 -9.343 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.668 -5.630 -10.592 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.693 -7.036 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.839 -7.177 -7.417 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.469 -5.599 -7.947 1.00 0.00 H new ATOM 137 N VAL A 12 -1.169 -6.232 -5.809 1.00 0.00 N ATOM 138 CA VAL A 12 -0.948 -6.948 -4.565 1.00 0.00 C ATOM 139 C VAL A 12 -2.256 -7.604 -4.119 1.00 0.00 C ATOM 140 O VAL A 12 -3.206 -6.916 -3.749 1.00 0.00 O ATOM 141 CB VAL A 12 -0.365 -6.001 -3.513 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.603 -6.740 -2.587 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.314 -4.800 -4.173 1.00 0.00 C ATOM 0 H VAL A 12 -2.010 -5.655 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.217 -7.744 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.189 -5.627 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.003 -6.045 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.075 -7.546 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.422 -7.157 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.720 -4.143 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.122 -5.147 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.415 -4.252 -4.770 1.00 0.00 H new ATOM 153 N GLU A 13 -2.263 -8.928 -4.169 1.00 0.00 N ATOM 154 CA GLU A 13 -3.439 -9.686 -3.776 1.00 0.00 C ATOM 155 C GLU A 13 -3.231 -10.309 -2.394 1.00 0.00 C ATOM 156 O GLU A 13 -2.454 -11.251 -2.244 1.00 0.00 O ATOM 157 CB GLU A 13 -3.775 -10.757 -4.815 1.00 0.00 C ATOM 158 CG GLU A 13 -4.525 -10.151 -6.004 1.00 0.00 C ATOM 159 CD GLU A 13 -4.993 -11.242 -6.970 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.106 -11.925 -7.526 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.226 -11.367 -7.130 1.00 0.00 O ATOM 0 H GLU A 13 -1.473 -9.495 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.286 -9.002 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.858 -11.232 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.383 -11.536 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.384 -9.584 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.876 -9.449 -6.529 1.00 0.00 H new ATOM 168 N LEU A 14 -3.938 -9.757 -1.419 1.00 0.00 N ATOM 169 CA LEU A 14 -3.841 -10.247 -0.054 1.00 0.00 C ATOM 170 C LEU A 14 -5.213 -10.747 0.403 1.00 0.00 C ATOM 171 O LEU A 14 -6.188 -10.661 -0.341 1.00 0.00 O ATOM 172 CB LEU A 14 -3.242 -9.176 0.859 1.00 0.00 C ATOM 173 CG LEU A 14 -1.912 -8.572 0.401 1.00 0.00 C ATOM 174 CD1 LEU A 14 -1.915 -7.051 0.565 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.735 -9.225 1.129 1.00 0.00 C ATOM 0 H LEU A 14 -4.580 -8.975 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.158 -11.095 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.968 -8.369 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.100 -9.609 1.849 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.790 -8.780 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.959 -6.647 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.718 -6.622 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.070 -6.798 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.198 -8.778 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.839 -9.068 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.725 -10.294 0.918 1.00 0.00 H new ATOM 187 N GLU A 15 -5.244 -11.260 1.625 1.00 0.00 N ATOM 188 CA GLU A 15 -6.480 -11.773 2.190 1.00 0.00 C ATOM 189 C GLU A 15 -6.850 -10.994 3.453 1.00 0.00 C ATOM 190 O GLU A 15 -6.123 -11.031 4.445 1.00 0.00 O ATOM 191 CB GLU A 15 -6.368 -13.271 2.482 1.00 0.00 C ATOM 192 CG GLU A 15 -7.546 -13.753 3.330 1.00 0.00 C ATOM 193 CD GLU A 15 -7.784 -15.253 3.137 1.00 0.00 C ATOM 194 OE1 GLU A 15 -6.993 -16.031 3.712 1.00 0.00 O ATOM 195 OE2 GLU A 15 -8.751 -15.586 2.418 1.00 0.00 O ATOM 0 H GLU A 15 -4.433 -11.331 2.239 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.276 -11.637 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.338 -13.827 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.433 -13.475 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.351 -13.545 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.445 -13.200 3.057 1.00 0.00 H new ATOM 202 N ARG A 16 -7.980 -10.308 3.377 1.00 0.00 N ATOM 203 CA ARG A 16 -8.456 -9.521 4.502 1.00 0.00 C ATOM 204 C ARG A 16 -8.179 -10.254 5.816 1.00 0.00 C ATOM 205 O ARG A 16 -8.905 -11.178 6.180 1.00 0.00 O ATOM 206 CB ARG A 16 -9.956 -9.244 4.386 1.00 0.00 C ATOM 207 CG ARG A 16 -10.254 -7.754 4.559 1.00 0.00 C ATOM 208 CD ARG A 16 -11.684 -7.426 4.125 1.00 0.00 C ATOM 209 NE ARG A 16 -12.537 -7.209 5.315 1.00 0.00 N ATOM 210 CZ ARG A 16 -12.424 -6.159 6.139 1.00 0.00 C ATOM 211 NH1 ARG A 16 -11.493 -5.223 5.907 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.241 -6.044 7.194 1.00 0.00 N ATOM 0 H ARG A 16 -8.581 -10.281 2.553 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.922 -8.571 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.317 -9.580 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.494 -9.816 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.113 -7.470 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.548 -7.168 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.687 -6.535 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.086 -8.241 3.523 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.256 -7.903 5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.871 -5.310 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.407 -4.423 6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.950 -6.756 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.155 -5.244 7.821 1.00 0.00 H new ATOM 226 N GLY A 17 -7.128 -9.813 6.493 1.00 0.00 N ATOM 227 CA GLY A 17 -6.747 -10.416 7.759 1.00 0.00 C ATOM 228 C GLY A 17 -7.939 -10.483 8.715 1.00 0.00 C ATOM 229 O GLY A 17 -9.059 -10.137 8.342 1.00 0.00 O ATOM 0 H GLY A 17 -6.529 -9.046 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.359 -11.420 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.943 -9.837 8.214 1.00 0.00 H new ATOM 233 N PRO A 18 -7.651 -10.943 9.962 1.00 0.00 N ATOM 234 CA PRO A 18 -8.686 -11.061 10.974 1.00 0.00 C ATOM 235 C PRO A 18 -9.066 -9.687 11.532 1.00 0.00 C ATOM 236 O PRO A 18 -10.141 -9.522 12.106 1.00 0.00 O ATOM 237 CB PRO A 18 -8.103 -11.988 12.028 1.00 0.00 C ATOM 238 CG PRO A 18 -6.600 -11.985 11.800 1.00 0.00 C ATOM 239 CD PRO A 18 -6.336 -11.363 10.439 1.00 0.00 C ATOM 0 HA PRO A 18 -9.617 -11.466 10.577 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.346 -11.640 13.032 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.511 -12.994 11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.096 -11.418 12.583 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.206 -13.001 11.838 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.654 -10.516 10.516 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.878 -12.080 9.758 1.00 0.00 H new ATOM 247 N SER A 19 -8.162 -8.737 11.343 1.00 0.00 N ATOM 248 CA SER A 19 -8.389 -7.383 11.819 1.00 0.00 C ATOM 249 C SER A 19 -8.770 -6.473 10.650 1.00 0.00 C ATOM 250 O SER A 19 -9.206 -5.342 10.855 1.00 0.00 O ATOM 251 CB SER A 19 -7.153 -6.837 12.536 1.00 0.00 C ATOM 252 OG SER A 19 -7.458 -6.372 13.848 1.00 0.00 O ATOM 0 H SER A 19 -7.271 -8.878 10.867 1.00 0.00 H new ATOM 0 HA SER A 19 -9.211 -7.406 12.535 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.394 -7.617 12.595 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.726 -6.021 11.952 1.00 0.00 H new ATOM 0 HG SER A 19 -6.642 -6.033 14.273 1.00 0.00 H new ATOM 258 N GLY A 20 -8.590 -7.002 9.448 1.00 0.00 N ATOM 259 CA GLY A 20 -8.909 -6.251 8.245 1.00 0.00 C ATOM 260 C GLY A 20 -7.640 -5.715 7.581 1.00 0.00 C ATOM 261 O GLY A 20 -7.549 -4.526 7.279 1.00 0.00 O ATOM 0 H GLY A 20 -8.228 -7.941 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.448 -6.890 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.571 -5.422 8.494 1.00 0.00 H new ATOM 265 N LEU A 21 -6.692 -6.617 7.373 1.00 0.00 N ATOM 266 CA LEU A 21 -5.432 -6.249 6.750 1.00 0.00 C ATOM 267 C LEU A 21 -4.542 -5.552 7.782 1.00 0.00 C ATOM 268 O LEU A 21 -4.758 -5.688 8.986 1.00 0.00 O ATOM 269 CB LEU A 21 -5.680 -5.417 5.491 1.00 0.00 C ATOM 270 CG LEU A 21 -6.803 -5.906 4.574 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.690 -4.744 4.125 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.239 -6.689 3.386 1.00 0.00 C ATOM 0 H LEU A 21 -6.771 -7.602 7.625 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.898 -7.139 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.905 -4.394 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.756 -5.383 4.914 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.433 -6.591 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.480 -5.119 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.135 -4.267 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.088 -4.016 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.058 -7.025 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.573 -6.047 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.684 -7.554 3.750 1.00 0.00 H new ATOM 284 N GLY A 22 -3.562 -4.821 7.273 1.00 0.00 N ATOM 285 CA GLY A 22 -2.639 -4.103 8.135 1.00 0.00 C ATOM 286 C GLY A 22 -1.897 -3.013 7.358 1.00 0.00 C ATOM 287 O GLY A 22 -0.669 -3.025 7.284 1.00 0.00 O ATOM 0 H GLY A 22 -3.387 -4.710 6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.185 -3.655 8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.921 -4.801 8.566 1.00 0.00 H new ATOM 291 N MET A 23 -2.674 -2.098 6.798 1.00 0.00 N ATOM 292 CA MET A 23 -2.106 -1.004 6.029 1.00 0.00 C ATOM 293 C MET A 23 -2.782 0.323 6.380 1.00 0.00 C ATOM 294 O MET A 23 -3.984 0.485 6.171 1.00 0.00 O ATOM 295 CB MET A 23 -2.279 -1.286 4.535 1.00 0.00 C ATOM 296 CG MET A 23 -0.923 -1.479 3.852 1.00 0.00 C ATOM 297 SD MET A 23 -1.122 -1.446 2.079 1.00 0.00 S ATOM 298 CE MET A 23 -2.756 -2.151 1.937 1.00 0.00 C ATOM 0 H MET A 23 -3.692 -2.092 6.861 1.00 0.00 H new ATOM 0 HA MET A 23 -1.047 -0.926 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.889 -2.179 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.813 -0.460 4.065 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.235 -0.693 4.164 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.484 -2.428 4.159 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.928 -2.466 0.908 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.839 -3.013 2.599 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.500 -1.405 2.217 1.00 0.00 H new ATOM 308 N GLY A 24 -1.982 1.237 6.907 1.00 0.00 N ATOM 309 CA GLY A 24 -2.488 2.544 7.290 1.00 0.00 C ATOM 310 C GLY A 24 -2.300 3.558 6.159 1.00 0.00 C ATOM 311 O GLY A 24 -1.328 4.312 6.152 1.00 0.00 O ATOM 0 H GLY A 24 -0.986 1.099 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.545 2.469 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.970 2.891 8.184 1.00 0.00 H new ATOM 315 N LEU A 25 -3.245 3.542 5.231 1.00 0.00 N ATOM 316 CA LEU A 25 -3.196 4.451 4.097 1.00 0.00 C ATOM 317 C LEU A 25 -3.481 5.875 4.578 1.00 0.00 C ATOM 318 O LEU A 25 -4.313 6.081 5.460 1.00 0.00 O ATOM 319 CB LEU A 25 -4.137 3.976 2.989 1.00 0.00 C ATOM 320 CG LEU A 25 -3.920 2.545 2.491 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.443 2.155 2.571 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.814 1.560 3.247 1.00 0.00 C ATOM 0 H LEU A 25 -4.049 2.915 5.240 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.199 4.457 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.162 4.063 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.038 4.653 2.141 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.208 2.501 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.316 1.134 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.854 2.833 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.105 2.220 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.640 0.551 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.580 1.599 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.860 1.828 3.096 1.00 0.00 H new ATOM 334 N ILE A 26 -2.775 6.821 3.976 1.00 0.00 N ATOM 335 CA ILE A 26 -2.941 8.220 4.332 1.00 0.00 C ATOM 336 C ILE A 26 -3.281 9.024 3.075 1.00 0.00 C ATOM 337 O ILE A 26 -2.930 8.626 1.965 1.00 0.00 O ATOM 338 CB ILE A 26 -1.708 8.734 5.076 1.00 0.00 C ATOM 339 CG1 ILE A 26 -1.982 10.095 5.718 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.487 8.771 4.154 1.00 0.00 C ATOM 341 CD1 ILE A 26 -1.339 10.189 7.103 1.00 0.00 C ATOM 0 H ILE A 26 -2.087 6.646 3.244 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.775 8.341 5.024 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.482 8.037 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.593 10.887 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.057 10.252 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.376 9.140 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.279 7.767 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.687 9.433 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.550 11.167 7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.748 9.411 7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.261 10.057 7.013 1.00 0.00 H new ATOM 353 N ASP A 27 -3.960 10.141 3.292 1.00 0.00 N ATOM 354 CA ASP A 27 -4.351 11.004 2.191 1.00 0.00 C ATOM 355 C ASP A 27 -3.132 11.794 1.710 1.00 0.00 C ATOM 356 O ASP A 27 -2.522 12.532 2.482 1.00 0.00 O ATOM 357 CB ASP A 27 -5.421 12.006 2.629 1.00 0.00 C ATOM 358 CG ASP A 27 -5.760 13.084 1.597 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.096 13.083 0.538 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.674 13.883 1.891 1.00 0.00 O ATOM 0 H ASP A 27 -4.249 10.468 4.214 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.750 10.375 1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.332 11.459 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.087 12.494 3.545 1.00 0.00 H new ATOM 365 N GLY A 28 -2.813 11.612 0.437 1.00 0.00 N ATOM 366 CA GLY A 28 -1.678 12.299 -0.156 1.00 0.00 C ATOM 367 C GLY A 28 -1.720 13.796 0.154 1.00 0.00 C ATOM 368 O GLY A 28 -0.678 14.437 0.284 1.00 0.00 O ATOM 0 H GLY A 28 -3.321 10.999 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.750 11.871 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.680 12.147 -1.235 1.00 0.00 H new ATOM 372 N MET A 29 -2.936 14.312 0.264 1.00 0.00 N ATOM 373 CA MET A 29 -3.127 15.722 0.556 1.00 0.00 C ATOM 374 C MET A 29 -2.693 16.049 1.986 1.00 0.00 C ATOM 375 O MET A 29 -2.446 17.209 2.314 1.00 0.00 O ATOM 376 CB MET A 29 -4.602 16.085 0.375 1.00 0.00 C ATOM 377 CG MET A 29 -4.955 16.221 -1.108 1.00 0.00 C ATOM 378 SD MET A 29 -4.779 17.920 -1.625 1.00 0.00 S ATOM 379 CE MET A 29 -4.206 17.677 -3.298 1.00 0.00 C ATOM 0 H MET A 29 -3.798 13.778 0.156 1.00 0.00 H new ATOM 0 HA MET A 29 -2.513 16.303 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.228 15.319 0.833 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.816 17.021 0.891 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.305 15.582 -1.705 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.978 15.884 -1.279 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.044 18.645 -3.772 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.270 17.119 -3.284 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.953 17.118 -3.861 1.00 0.00 H new ATOM 389 N HIS A 30 -2.613 15.006 2.800 1.00 0.00 N ATOM 390 CA HIS A 30 -2.212 15.168 4.187 1.00 0.00 C ATOM 391 C HIS A 30 -0.686 15.136 4.288 1.00 0.00 C ATOM 392 O HIS A 30 -0.100 15.830 5.118 1.00 0.00 O ATOM 393 CB HIS A 30 -2.888 14.120 5.074 1.00 0.00 C ATOM 394 CG HIS A 30 -4.395 14.205 5.085 1.00 0.00 C ATOM 395 ND1 HIS A 30 -5.187 13.376 5.860 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.247 15.030 4.411 1.00 0.00 C ATOM 397 CE1 HIS A 30 -6.456 13.695 5.652 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.491 14.720 4.753 1.00 0.00 N ATOM 0 H HIS A 30 -2.819 14.046 2.525 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.545 16.139 4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.593 13.127 4.735 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.521 14.231 6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.958 15.805 3.716 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.312 13.226 6.113 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.334 15.173 4.402 1.00 0.00 H new ATOM 406 N THR A 31 -0.086 14.322 3.432 1.00 0.00 N ATOM 407 CA THR A 31 1.361 14.189 3.415 1.00 0.00 C ATOM 408 C THR A 31 1.994 15.354 2.651 1.00 0.00 C ATOM 409 O THR A 31 1.369 15.931 1.762 1.00 0.00 O ATOM 410 CB THR A 31 1.703 12.820 2.825 1.00 0.00 C ATOM 411 OG1 THR A 31 0.743 12.638 1.788 1.00 0.00 O ATOM 412 CG2 THR A 31 1.419 11.675 3.800 1.00 0.00 C ATOM 0 H THR A 31 -0.575 13.748 2.745 1.00 0.00 H new ATOM 0 HA THR A 31 1.774 14.238 4.422 1.00 0.00 H new ATOM 0 HB THR A 31 2.755 12.801 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.636 13.475 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.679 10.726 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.015 11.810 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.361 11.673 4.061 1.00 0.00 H new ATOM 420 N HIS A 32 3.226 15.666 3.026 1.00 0.00 N ATOM 421 CA HIS A 32 3.950 16.752 2.388 1.00 0.00 C ATOM 422 C HIS A 32 3.763 16.672 0.872 1.00 0.00 C ATOM 423 O HIS A 32 3.840 17.686 0.179 1.00 0.00 O ATOM 424 CB HIS A 32 5.422 16.742 2.805 1.00 0.00 C ATOM 425 CG HIS A 32 6.017 18.118 2.994 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.719 18.482 4.130 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.006 19.212 2.180 1.00 0.00 C ATOM 428 CE1 HIS A 32 7.108 19.741 3.995 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.665 20.192 2.787 1.00 0.00 N ATOM 0 H HIS A 32 3.741 15.185 3.764 1.00 0.00 H new ATOM 0 HA HIS A 32 3.545 17.708 2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.521 16.184 3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.999 16.208 2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.541 19.271 1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.676 20.310 4.715 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.815 21.128 2.411 1.00 0.00 H new ATOM 437 N LEU A 33 3.522 15.458 0.401 1.00 0.00 N ATOM 438 CA LEU A 33 3.324 15.233 -1.021 1.00 0.00 C ATOM 439 C LEU A 33 2.335 16.267 -1.564 1.00 0.00 C ATOM 440 O LEU A 33 2.485 16.744 -2.687 1.00 0.00 O ATOM 441 CB LEU A 33 2.903 13.785 -1.281 1.00 0.00 C ATOM 442 CG LEU A 33 3.114 13.270 -2.706 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.556 12.801 -2.912 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.101 12.177 -3.050 1.00 0.00 C ATOM 0 H LEU A 33 3.459 14.620 0.978 1.00 0.00 H new ATOM 0 HA LEU A 33 4.260 15.371 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.454 13.139 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.846 13.685 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 33 2.943 14.096 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.679 12.440 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.238 13.633 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.780 11.995 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.273 11.829 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.216 11.343 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.091 12.579 -2.970 1.00 0.00 H new ATOM 456 N GLY A 34 1.346 16.582 -0.740 1.00 0.00 N ATOM 457 CA GLY A 34 0.333 17.551 -1.123 1.00 0.00 C ATOM 458 C GLY A 34 -0.323 17.162 -2.449 1.00 0.00 C ATOM 459 O GLY A 34 -0.786 18.025 -3.194 1.00 0.00 O ATOM 0 H GLY A 34 1.225 16.183 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.426 17.617 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.785 18.539 -1.213 1.00 0.00 H new ATOM 463 N ALA A 35 -0.343 15.862 -2.704 1.00 0.00 N ATOM 464 CA ALA A 35 -0.936 15.348 -3.927 1.00 0.00 C ATOM 465 C ALA A 35 -2.133 14.463 -3.576 1.00 0.00 C ATOM 466 O ALA A 35 -2.177 13.870 -2.499 1.00 0.00 O ATOM 467 CB ALA A 35 0.127 14.599 -4.734 1.00 0.00 C ATOM 0 H ALA A 35 0.042 15.149 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.302 16.165 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.317 14.213 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.941 15.280 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.516 13.770 -4.143 1.00 0.00 H new ATOM 473 N PRO A 36 -3.100 14.399 -4.530 1.00 0.00 N ATOM 474 CA PRO A 36 -4.295 13.596 -4.333 1.00 0.00 C ATOM 475 C PRO A 36 -3.988 12.107 -4.496 1.00 0.00 C ATOM 476 O PRO A 36 -3.215 11.721 -5.372 1.00 0.00 O ATOM 477 CB PRO A 36 -5.291 14.113 -5.358 1.00 0.00 C ATOM 478 CG PRO A 36 -4.470 14.862 -6.396 1.00 0.00 C ATOM 479 CD PRO A 36 -3.082 15.088 -5.817 1.00 0.00 C ATOM 0 HA PRO A 36 -4.700 13.685 -3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.843 13.292 -5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.025 14.770 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.409 14.289 -7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.941 15.814 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.309 14.684 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.872 16.151 -5.694 1.00 0.00 H new ATOM 487 N GLY A 37 -4.609 11.309 -3.639 1.00 0.00 N ATOM 488 CA GLY A 37 -4.411 9.870 -3.678 1.00 0.00 C ATOM 489 C GLY A 37 -3.929 9.347 -2.324 1.00 0.00 C ATOM 490 O GLY A 37 -3.414 10.108 -1.507 1.00 0.00 O ATOM 0 H GLY A 37 -5.249 11.632 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.345 9.378 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.682 9.620 -4.449 1.00 0.00 H new ATOM 494 N LEU A 38 -4.115 8.049 -2.127 1.00 0.00 N ATOM 495 CA LEU A 38 -3.705 7.415 -0.885 1.00 0.00 C ATOM 496 C LEU A 38 -2.358 6.720 -1.093 1.00 0.00 C ATOM 497 O LEU A 38 -2.080 6.207 -2.176 1.00 0.00 O ATOM 498 CB LEU A 38 -4.805 6.483 -0.372 1.00 0.00 C ATOM 499 CG LEU A 38 -6.066 7.165 0.163 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.303 6.297 -0.079 1.00 0.00 C ATOM 501 CD2 LEU A 38 -5.906 7.535 1.638 1.00 0.00 C ATOM 0 H LEU A 38 -4.544 7.420 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.561 8.162 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.094 5.814 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.387 5.862 0.421 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.211 8.094 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.185 6.805 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.425 6.127 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.181 5.340 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.816 8.018 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.723 6.633 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.064 8.218 1.753 1.00 0.00 H new ATOM 513 N TYR A 39 -1.557 6.726 -0.038 1.00 0.00 N ATOM 514 CA TYR A 39 -0.245 6.103 -0.090 1.00 0.00 C ATOM 515 C TYR A 39 0.076 5.388 1.224 1.00 0.00 C ATOM 516 O TYR A 39 -0.280 5.869 2.299 1.00 0.00 O ATOM 517 CB TYR A 39 0.755 7.242 -0.295 1.00 0.00 C ATOM 518 CG TYR A 39 0.505 8.070 -1.557 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.585 8.913 -1.625 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.370 7.973 -2.628 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.820 9.692 -2.813 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.135 8.753 -3.816 1.00 0.00 C ATOM 523 CZ TYR A 39 0.052 9.573 -3.850 1.00 0.00 C ATOM 524 OH TYR A 39 -0.170 10.309 -4.972 1.00 0.00 O ATOM 0 H TYR A 39 -1.791 7.153 0.858 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.204 5.362 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.722 7.901 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.761 6.825 -0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.262 8.989 -0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.223 7.312 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.669 10.356 -2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.805 8.688 -4.661 1.00 0.00 H new ATOM 0 HH TYR A 39 0.533 10.124 -5.629 1.00 0.00 H new ATOM 534 N ILE A 40 0.745 4.252 1.095 1.00 0.00 N ATOM 535 CA ILE A 40 1.118 3.467 2.260 1.00 0.00 C ATOM 536 C ILE A 40 1.927 4.340 3.221 1.00 0.00 C ATOM 537 O ILE A 40 2.987 4.850 2.860 1.00 0.00 O ATOM 538 CB ILE A 40 1.841 2.188 1.834 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.992 1.379 0.851 1.00 0.00 C ATOM 540 CG2 ILE A 40 2.253 1.360 3.052 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.484 -0.067 0.763 1.00 0.00 C ATOM 0 H ILE A 40 1.039 3.856 0.202 1.00 0.00 H new ATOM 0 HA ILE A 40 0.229 3.139 2.799 1.00 0.00 H new ATOM 0 HB ILE A 40 2.755 2.470 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.051 1.393 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.032 1.841 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.765 0.456 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.922 1.947 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.366 1.086 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.864 -0.620 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.519 -0.079 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.420 -0.534 1.746 1.00 0.00 H new ATOM 553 N GLN A 41 1.396 4.487 4.426 1.00 0.00 N ATOM 554 CA GLN A 41 2.055 5.290 5.441 1.00 0.00 C ATOM 555 C GLN A 41 2.605 4.394 6.553 1.00 0.00 C ATOM 556 O GLN A 41 3.622 4.713 7.167 1.00 0.00 O ATOM 557 CB GLN A 41 1.104 6.346 6.008 1.00 0.00 C ATOM 558 CG GLN A 41 1.769 7.130 7.142 1.00 0.00 C ATOM 559 CD GLN A 41 0.720 7.769 8.055 1.00 0.00 C ATOM 560 OE1 GLN A 41 -0.363 7.246 8.260 1.00 0.00 O ATOM 561 NE2 GLN A 41 1.101 8.925 8.590 1.00 0.00 N ATOM 0 H GLN A 41 0.517 4.063 4.722 1.00 0.00 H new ATOM 0 HA GLN A 41 2.891 5.813 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.802 7.031 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.198 5.865 6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.406 6.464 7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.413 7.904 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.022 9.307 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.472 9.430 9.214 1.00 0.00 H new ATOM 570 N THR A 42 1.908 3.289 6.777 1.00 0.00 N ATOM 571 CA THR A 42 2.313 2.344 7.804 1.00 0.00 C ATOM 572 C THR A 42 2.006 0.912 7.362 1.00 0.00 C ATOM 573 O THR A 42 1.283 0.700 6.390 1.00 0.00 O ATOM 574 CB THR A 42 1.620 2.739 9.110 1.00 0.00 C ATOM 575 OG1 THR A 42 0.357 3.248 8.692 1.00 0.00 O ATOM 576 CG2 THR A 42 2.295 3.930 9.794 1.00 0.00 C ATOM 0 H THR A 42 1.066 3.027 6.265 1.00 0.00 H new ATOM 0 HA THR A 42 3.390 2.376 7.968 1.00 0.00 H new ATOM 0 HB THR A 42 1.613 1.887 9.790 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.159 3.526 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.764 4.169 10.716 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.330 3.678 10.026 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.273 4.793 9.128 1.00 0.00 H new ATOM 584 N LEU A 43 2.573 -0.034 8.096 1.00 0.00 N ATOM 585 CA LEU A 43 2.369 -1.440 7.792 1.00 0.00 C ATOM 586 C LEU A 43 2.335 -2.240 9.096 1.00 0.00 C ATOM 587 O LEU A 43 3.363 -2.412 9.750 1.00 0.00 O ATOM 588 CB LEU A 43 3.422 -1.931 6.797 1.00 0.00 C ATOM 589 CG LEU A 43 3.286 -1.409 5.365 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.627 -1.464 4.632 1.00 0.00 C ATOM 591 CD2 LEU A 43 2.189 -2.162 4.609 1.00 0.00 C ATOM 0 H LEU A 43 3.174 0.146 8.901 1.00 0.00 H new ATOM 0 HA LEU A 43 1.407 -1.588 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.406 -1.652 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.388 -3.020 6.770 1.00 0.00 H new ATOM 0 HG LEU A 43 2.986 -0.362 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.502 -1.087 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.356 -0.849 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.980 -2.495 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.113 -1.772 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.435 -3.223 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.236 -2.028 5.122 1.00 0.00 H new ATOM 603 N LEU A 44 1.143 -2.707 9.436 1.00 0.00 N ATOM 604 CA LEU A 44 0.962 -3.484 10.650 1.00 0.00 C ATOM 605 C LEU A 44 1.911 -4.684 10.628 1.00 0.00 C ATOM 606 O LEU A 44 2.372 -5.096 9.565 1.00 0.00 O ATOM 607 CB LEU A 44 -0.509 -3.867 10.827 1.00 0.00 C ATOM 608 CG LEU A 44 -1.238 -3.205 11.999 1.00 0.00 C ATOM 609 CD1 LEU A 44 -0.916 -1.711 12.072 1.00 0.00 C ATOM 610 CD2 LEU A 44 -2.744 -3.464 11.925 1.00 0.00 C ATOM 0 H LEU A 44 0.293 -2.562 8.892 1.00 0.00 H new ATOM 0 HA LEU A 44 1.220 -2.888 11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.041 -3.621 9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.570 -4.948 10.951 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.879 -3.657 12.924 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.447 -1.265 12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.157 -1.576 12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.229 -1.226 11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.238 -2.983 12.769 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.138 -3.057 10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.931 -4.537 11.959 1.00 0.00 H new ATOM 622 N PRO A 45 2.181 -5.226 11.846 1.00 0.00 N ATOM 623 CA PRO A 45 3.066 -6.370 11.977 1.00 0.00 C ATOM 624 C PRO A 45 2.372 -7.655 11.521 1.00 0.00 C ATOM 625 O PRO A 45 2.471 -8.039 10.357 1.00 0.00 O ATOM 626 CB PRO A 45 3.461 -6.397 13.445 1.00 0.00 C ATOM 627 CG PRO A 45 2.424 -5.555 14.170 1.00 0.00 C ATOM 628 CD PRO A 45 1.652 -4.764 13.127 1.00 0.00 C ATOM 0 HA PRO A 45 3.949 -6.293 11.342 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.473 -7.418 13.828 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.463 -5.992 13.588 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.749 -6.191 14.743 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.907 -4.882 14.879 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.580 -4.949 13.203 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.800 -3.692 13.253 1.00 0.00 H new ATOM 636 N GLY A 46 1.685 -8.285 12.463 1.00 0.00 N ATOM 637 CA GLY A 46 0.975 -9.519 12.173 1.00 0.00 C ATOM 638 C GLY A 46 -0.202 -9.265 11.228 1.00 0.00 C ATOM 639 O GLY A 46 -1.355 -9.484 11.595 1.00 0.00 O ATOM 0 H GLY A 46 1.605 -7.964 13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.659 -10.239 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.612 -9.961 13.101 1.00 0.00 H new ATOM 643 N SER A 47 0.131 -8.807 10.031 1.00 0.00 N ATOM 644 CA SER A 47 -0.884 -8.521 9.031 1.00 0.00 C ATOM 645 C SER A 47 -0.511 -9.183 7.702 1.00 0.00 C ATOM 646 O SER A 47 0.602 -9.683 7.545 1.00 0.00 O ATOM 647 CB SER A 47 -1.061 -7.013 8.841 1.00 0.00 C ATOM 648 OG SER A 47 -0.319 -6.524 7.727 1.00 0.00 O ATOM 0 H SER A 47 1.089 -8.627 9.731 1.00 0.00 H new ATOM 0 HA SER A 47 -1.832 -8.930 9.380 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.118 -6.787 8.700 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.742 -6.494 9.745 1.00 0.00 H new ATOM 0 HG SER A 47 0.079 -5.658 7.954 1.00 0.00 H new ATOM 654 N PRO A 48 -1.487 -9.163 6.756 1.00 0.00 N ATOM 655 CA PRO A 48 -1.272 -9.755 5.447 1.00 0.00 C ATOM 656 C PRO A 48 -0.372 -8.868 4.585 1.00 0.00 C ATOM 657 O PRO A 48 0.464 -9.369 3.835 1.00 0.00 O ATOM 658 CB PRO A 48 -2.664 -9.934 4.863 1.00 0.00 C ATOM 659 CG PRO A 48 -3.573 -9.015 5.663 1.00 0.00 C ATOM 660 CD PRO A 48 -2.817 -8.579 6.907 1.00 0.00 C ATOM 0 HA PRO A 48 -0.750 -10.710 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.680 -9.674 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.990 -10.971 4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.860 -8.148 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.493 -9.532 5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.767 -7.493 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.306 -8.936 7.813 1.00 0.00 H new ATOM 668 N ALA A 49 -0.573 -7.566 4.721 1.00 0.00 N ATOM 669 CA ALA A 49 0.210 -6.604 3.965 1.00 0.00 C ATOM 670 C ALA A 49 1.699 -6.857 4.213 1.00 0.00 C ATOM 671 O ALA A 49 2.421 -7.273 3.308 1.00 0.00 O ATOM 672 CB ALA A 49 -0.212 -5.185 4.350 1.00 0.00 C ATOM 0 H ALA A 49 -1.268 -7.154 5.344 1.00 0.00 H new ATOM 0 HA ALA A 49 0.029 -6.719 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.376 -4.464 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.270 -5.047 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.043 -5.032 5.416 1.00 0.00 H new ATOM 678 N ALA A 50 2.113 -6.596 5.444 1.00 0.00 N ATOM 679 CA ALA A 50 3.503 -6.790 5.823 1.00 0.00 C ATOM 680 C ALA A 50 3.980 -8.152 5.315 1.00 0.00 C ATOM 681 O ALA A 50 5.107 -8.281 4.839 1.00 0.00 O ATOM 682 CB ALA A 50 3.643 -6.652 7.340 1.00 0.00 C ATOM 0 H ALA A 50 1.511 -6.252 6.192 1.00 0.00 H new ATOM 0 HA ALA A 50 4.135 -6.028 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.685 -6.798 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.319 -5.657 7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.025 -7.403 7.832 1.00 0.00 H new ATOM 688 N ALA A 51 3.098 -9.134 5.433 1.00 0.00 N ATOM 689 CA ALA A 51 3.414 -10.481 4.991 1.00 0.00 C ATOM 690 C ALA A 51 3.989 -10.428 3.574 1.00 0.00 C ATOM 691 O ALA A 51 5.083 -10.933 3.325 1.00 0.00 O ATOM 692 CB ALA A 51 2.162 -11.355 5.080 1.00 0.00 C ATOM 0 H ALA A 51 2.164 -9.023 5.829 1.00 0.00 H new ATOM 0 HA ALA A 51 4.170 -10.928 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.400 -12.366 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.812 -11.385 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.381 -10.938 4.444 1.00 0.00 H new ATOM 698 N ASP A 52 3.226 -9.811 2.684 1.00 0.00 N ATOM 699 CA ASP A 52 3.646 -9.685 1.299 1.00 0.00 C ATOM 700 C ASP A 52 5.084 -9.164 1.251 1.00 0.00 C ATOM 701 O ASP A 52 5.932 -9.735 0.567 1.00 0.00 O ATOM 702 CB ASP A 52 2.759 -8.693 0.543 1.00 0.00 C ATOM 703 CG ASP A 52 2.486 -9.054 -0.919 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.887 -10.130 -1.135 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.881 -8.245 -1.786 1.00 0.00 O ATOM 0 H ASP A 52 2.320 -9.393 2.895 1.00 0.00 H new ATOM 0 HA ASP A 52 3.569 -10.667 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.806 -8.610 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.228 -7.710 0.577 1.00 0.00 H new ATOM 710 N GLY A 53 5.314 -8.086 1.986 1.00 0.00 N ATOM 711 CA GLY A 53 6.634 -7.483 2.037 1.00 0.00 C ATOM 712 C GLY A 53 6.763 -6.358 1.007 1.00 0.00 C ATOM 713 O GLY A 53 7.258 -5.277 1.322 1.00 0.00 O ATOM 0 H GLY A 53 4.608 -7.615 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.819 -7.089 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.392 -8.243 1.848 1.00 0.00 H new ATOM 717 N ARG A 54 6.308 -6.652 -0.202 1.00 0.00 N ATOM 718 CA ARG A 54 6.366 -5.679 -1.280 1.00 0.00 C ATOM 719 C ARG A 54 5.771 -4.345 -0.823 1.00 0.00 C ATOM 720 O ARG A 54 6.324 -3.284 -1.111 1.00 0.00 O ATOM 721 CB ARG A 54 5.604 -6.174 -2.511 1.00 0.00 C ATOM 722 CG ARG A 54 6.382 -5.876 -3.794 1.00 0.00 C ATOM 723 CD ARG A 54 6.729 -4.389 -3.892 1.00 0.00 C ATOM 724 NE ARG A 54 7.319 -4.094 -5.217 1.00 0.00 N ATOM 725 CZ ARG A 54 8.620 -4.226 -5.506 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.476 -4.650 -4.565 1.00 0.00 N ATOM 727 NH2 ARG A 54 9.067 -3.935 -6.735 1.00 0.00 N ATOM 0 H ARG A 54 5.898 -7.550 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 54 7.414 -5.542 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.430 -7.247 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.626 -5.695 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.297 -6.469 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.790 -6.173 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.833 -3.787 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.431 -4.118 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 54 6.696 -3.770 -5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.136 -4.872 -3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.467 -4.751 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.416 -3.613 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.058 -4.036 -6.954 1.00 0.00 H new ATOM 741 N LEU A 55 4.653 -4.442 -0.120 1.00 0.00 N ATOM 742 CA LEU A 55 3.977 -3.256 0.379 1.00 0.00 C ATOM 743 C LEU A 55 4.953 -2.438 1.228 1.00 0.00 C ATOM 744 O LEU A 55 5.221 -2.783 2.378 1.00 0.00 O ATOM 745 CB LEU A 55 2.694 -3.641 1.117 1.00 0.00 C ATOM 746 CG LEU A 55 1.566 -4.207 0.252 1.00 0.00 C ATOM 747 CD1 LEU A 55 0.288 -4.397 1.071 1.00 0.00 C ATOM 748 CD2 LEU A 55 1.331 -3.334 -0.982 1.00 0.00 C ATOM 0 H LEU A 55 4.198 -5.324 0.116 1.00 0.00 H new ATOM 0 HA LEU A 55 3.662 -2.620 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.945 -4.378 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.319 -2.759 1.637 1.00 0.00 H new ATOM 0 HG LEU A 55 1.870 -5.192 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.497 -4.800 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.480 -5.090 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.031 -3.436 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.524 -3.758 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.059 -2.326 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.242 -3.294 -1.579 1.00 0.00 H new ATOM 760 N SER A 56 5.457 -1.370 0.628 1.00 0.00 N ATOM 761 CA SER A 56 6.397 -0.500 1.314 1.00 0.00 C ATOM 762 C SER A 56 5.730 0.839 1.639 1.00 0.00 C ATOM 763 O SER A 56 4.693 1.174 1.068 1.00 0.00 O ATOM 764 CB SER A 56 7.655 -0.275 0.473 1.00 0.00 C ATOM 765 OG SER A 56 8.335 -1.496 0.194 1.00 0.00 O ATOM 0 H SER A 56 5.232 -1.087 -0.326 1.00 0.00 H new ATOM 0 HA SER A 56 6.696 -0.985 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.383 0.211 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.327 0.402 1.000 1.00 0.00 H new ATOM 0 HG SER A 56 7.722 -2.118 -0.250 1.00 0.00 H new ATOM 771 N LEU A 57 6.352 1.567 2.554 1.00 0.00 N ATOM 772 CA LEU A 57 5.832 2.861 2.962 1.00 0.00 C ATOM 773 C LEU A 57 6.122 3.890 1.867 1.00 0.00 C ATOM 774 O LEU A 57 7.239 3.961 1.357 1.00 0.00 O ATOM 775 CB LEU A 57 6.383 3.252 4.335 1.00 0.00 C ATOM 776 CG LEU A 57 6.074 2.287 5.481 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.178 2.992 6.835 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.710 1.622 5.285 1.00 0.00 C ATOM 0 H LEU A 57 7.212 1.285 3.025 1.00 0.00 H new ATOM 0 HA LEU A 57 4.749 2.816 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.465 3.354 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.988 4.234 4.597 1.00 0.00 H new ATOM 0 HG LEU A 57 6.823 1.495 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.954 2.283 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.188 3.379 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.466 3.817 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.515 0.941 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.934 2.386 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.708 1.064 4.349 1.00 0.00 H new ATOM 790 N GLY A 58 5.096 4.661 1.538 1.00 0.00 N ATOM 791 CA GLY A 58 5.227 5.683 0.513 1.00 0.00 C ATOM 792 C GLY A 58 4.507 5.266 -0.771 1.00 0.00 C ATOM 793 O GLY A 58 4.162 6.112 -1.595 1.00 0.00 O ATOM 0 H GLY A 58 4.171 4.599 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.814 6.624 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.282 5.859 0.302 1.00 0.00 H new ATOM 797 N ASP A 59 4.304 3.964 -0.901 1.00 0.00 N ATOM 798 CA ASP A 59 3.632 3.425 -2.072 1.00 0.00 C ATOM 799 C ASP A 59 2.315 4.173 -2.288 1.00 0.00 C ATOM 800 O ASP A 59 1.825 4.849 -1.385 1.00 0.00 O ATOM 801 CB ASP A 59 3.307 1.941 -1.886 1.00 0.00 C ATOM 802 CG ASP A 59 4.395 0.977 -2.362 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.143 1.374 -3.281 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.454 -0.136 -1.796 1.00 0.00 O ATOM 0 H ASP A 59 4.593 3.266 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 59 4.297 3.545 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.116 1.756 -0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.384 1.717 -2.421 1.00 0.00 H new ATOM 809 N ARG A 60 1.779 4.027 -3.491 1.00 0.00 N ATOM 810 CA ARG A 60 0.529 4.681 -3.838 1.00 0.00 C ATOM 811 C ARG A 60 -0.456 3.667 -4.422 1.00 0.00 C ATOM 812 O ARG A 60 -0.084 2.844 -5.258 1.00 0.00 O ATOM 813 CB ARG A 60 0.757 5.803 -4.853 1.00 0.00 C ATOM 814 CG ARG A 60 -0.549 6.537 -5.161 1.00 0.00 C ATOM 815 CD ARG A 60 -0.425 7.363 -6.443 1.00 0.00 C ATOM 816 NE ARG A 60 -1.430 8.450 -6.445 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.640 9.276 -7.479 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.918 9.145 -8.600 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.574 10.234 -7.391 1.00 0.00 N ATOM 0 H ARG A 60 2.188 3.465 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 60 0.116 5.111 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.491 6.508 -4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.171 5.388 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.360 5.816 -5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.809 7.190 -4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.578 7.784 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.568 6.723 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.998 8.578 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.208 8.416 -8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.079 9.774 -9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.124 10.333 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.735 10.863 -8.177 1.00 0.00 H new ATOM 833 N ILE A 61 -1.694 3.758 -3.959 1.00 0.00 N ATOM 834 CA ILE A 61 -2.736 2.859 -4.425 1.00 0.00 C ATOM 835 C ILE A 61 -3.426 3.472 -5.645 1.00 0.00 C ATOM 836 O ILE A 61 -3.834 4.632 -5.614 1.00 0.00 O ATOM 837 CB ILE A 61 -3.696 2.514 -3.285 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.930 2.211 -1.996 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.628 1.367 -3.681 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.273 0.830 -2.060 1.00 0.00 C ATOM 0 H ILE A 61 -1.999 4.441 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.304 1.911 -4.746 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.322 3.385 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.168 2.973 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.610 2.255 -1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.300 1.142 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.213 1.658 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.036 0.483 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.735 0.640 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.040 0.068 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.575 0.797 -2.897 1.00 0.00 H new ATOM 852 N LEU A 62 -3.534 2.666 -6.691 1.00 0.00 N ATOM 853 CA LEU A 62 -4.167 3.116 -7.920 1.00 0.00 C ATOM 854 C LEU A 62 -5.531 2.437 -8.063 1.00 0.00 C ATOM 855 O LEU A 62 -6.463 3.019 -8.616 1.00 0.00 O ATOM 856 CB LEU A 62 -3.239 2.890 -9.115 1.00 0.00 C ATOM 857 CG LEU A 62 -1.884 3.598 -9.055 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.025 3.241 -10.269 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.063 5.110 -8.904 1.00 0.00 C ATOM 0 H LEU A 62 -3.194 1.705 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.347 4.191 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.063 1.819 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.756 3.214 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.353 3.246 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.067 3.757 -10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.856 2.164 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.539 3.546 -11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.085 5.590 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.622 5.497 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.609 5.322 -7.985 1.00 0.00 H new ATOM 871 N GLU A 63 -5.605 1.215 -7.556 1.00 0.00 N ATOM 872 CA GLU A 63 -6.839 0.451 -7.620 1.00 0.00 C ATOM 873 C GLU A 63 -6.972 -0.448 -6.389 1.00 0.00 C ATOM 874 O GLU A 63 -5.977 -0.772 -5.743 1.00 0.00 O ATOM 875 CB GLU A 63 -6.908 -0.370 -8.909 1.00 0.00 C ATOM 876 CG GLU A 63 -7.046 0.539 -10.132 1.00 0.00 C ATOM 877 CD GLU A 63 -6.797 -0.241 -11.425 1.00 0.00 C ATOM 878 OE1 GLU A 63 -6.862 -1.487 -11.358 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.547 0.428 -12.451 1.00 0.00 O ATOM 0 H GLU A 63 -4.830 0.735 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.676 1.149 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.010 -0.980 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.755 -1.055 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.044 0.977 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.337 1.364 -10.058 1.00 0.00 H new ATOM 886 N VAL A 64 -8.209 -0.824 -6.102 1.00 0.00 N ATOM 887 CA VAL A 64 -8.485 -1.679 -4.960 1.00 0.00 C ATOM 888 C VAL A 64 -9.519 -2.735 -5.357 1.00 0.00 C ATOM 889 O VAL A 64 -10.684 -2.414 -5.583 1.00 0.00 O ATOM 890 CB VAL A 64 -8.926 -0.830 -3.765 1.00 0.00 C ATOM 891 CG1 VAL A 64 -9.878 -1.613 -2.859 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.716 -0.320 -2.980 1.00 0.00 C ATOM 0 H VAL A 64 -9.032 -0.552 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.583 -2.207 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.465 0.036 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.176 -0.988 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.762 -1.905 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.375 -2.505 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.056 0.280 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.137 -1.167 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.091 0.291 -3.631 1.00 0.00 H new ATOM 902 N ASN A 65 -9.054 -3.974 -5.429 1.00 0.00 N ATOM 903 CA ASN A 65 -9.924 -5.079 -5.794 1.00 0.00 C ATOM 904 C ASN A 65 -10.458 -4.855 -7.211 1.00 0.00 C ATOM 905 O ASN A 65 -11.476 -5.431 -7.592 1.00 0.00 O ATOM 906 CB ASN A 65 -11.122 -5.174 -4.847 1.00 0.00 C ATOM 907 CG ASN A 65 -10.916 -6.283 -3.813 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.479 -6.034 -2.634 1.00 0.00 O flip ATOM 909 ND2 ASN A 65 -10.288 -7.297 -4.069 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.087 -4.237 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.343 -5.999 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.265 -4.220 -4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.029 -5.370 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.881 -7.425 -4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.170 -8.017 -3.356 1.00 0.00 H new ATOM 916 N GLY A 66 -9.747 -4.018 -7.951 1.00 0.00 N ATOM 917 CA GLY A 66 -10.136 -3.711 -9.317 1.00 0.00 C ATOM 918 C GLY A 66 -11.158 -2.572 -9.353 1.00 0.00 C ATOM 919 O GLY A 66 -12.095 -2.599 -10.149 1.00 0.00 O ATOM 0 H GLY A 66 -8.903 -3.542 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.255 -3.433 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.559 -4.599 -9.787 1.00 0.00 H new ATOM 923 N SER A 67 -10.942 -1.599 -8.481 1.00 0.00 N ATOM 924 CA SER A 67 -11.831 -0.453 -8.403 1.00 0.00 C ATOM 925 C SER A 67 -11.028 0.843 -8.531 1.00 0.00 C ATOM 926 O SER A 67 -10.280 1.206 -7.624 1.00 0.00 O ATOM 927 CB SER A 67 -12.624 -0.459 -7.094 1.00 0.00 C ATOM 928 OG SER A 67 -13.981 -0.069 -7.290 1.00 0.00 O ATOM 0 H SER A 67 -10.164 -1.581 -7.822 1.00 0.00 H new ATOM 0 HA SER A 67 -12.541 -0.515 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.593 -1.457 -6.656 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.152 0.217 -6.381 1.00 0.00 H new ATOM 0 HG SER A 67 -14.454 -0.087 -6.432 1.00 0.00 H new ATOM 934 N SER A 68 -11.211 1.506 -9.664 1.00 0.00 N ATOM 935 CA SER A 68 -10.512 2.753 -9.922 1.00 0.00 C ATOM 936 C SER A 68 -10.624 3.677 -8.707 1.00 0.00 C ATOM 937 O SER A 68 -11.726 4.035 -8.295 1.00 0.00 O ATOM 938 CB SER A 68 -11.066 3.447 -11.169 1.00 0.00 C ATOM 939 OG SER A 68 -12.445 3.775 -11.029 1.00 0.00 O ATOM 0 H SER A 68 -11.833 1.203 -10.413 1.00 0.00 H new ATOM 0 HA SER A 68 -9.461 2.525 -10.102 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.495 4.355 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.934 2.797 -12.034 1.00 0.00 H new ATOM 0 HG SER A 68 -12.636 3.993 -10.093 1.00 0.00 H new ATOM 945 N LEU A 69 -9.468 4.036 -8.169 1.00 0.00 N ATOM 946 CA LEU A 69 -9.423 4.911 -7.009 1.00 0.00 C ATOM 947 C LEU A 69 -8.933 6.295 -7.439 1.00 0.00 C ATOM 948 O LEU A 69 -7.908 6.773 -6.957 1.00 0.00 O ATOM 949 CB LEU A 69 -8.584 4.281 -5.895 1.00 0.00 C ATOM 950 CG LEU A 69 -9.364 3.545 -4.804 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.414 2.882 -3.804 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.359 4.480 -4.115 1.00 0.00 C ATOM 0 H LEU A 69 -8.556 3.737 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.421 5.041 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.882 3.581 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.992 5.066 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.943 2.750 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.994 2.366 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.780 2.164 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.791 3.643 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.900 3.931 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.821 5.311 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.066 4.865 -4.850 1.00 0.00 H new ATOM 964 N LEU A 70 -9.690 6.901 -8.343 1.00 0.00 N ATOM 965 CA LEU A 70 -9.346 8.221 -8.844 1.00 0.00 C ATOM 966 C LEU A 70 -10.274 9.260 -8.210 1.00 0.00 C ATOM 967 O LEU A 70 -9.850 10.040 -7.360 1.00 0.00 O ATOM 968 CB LEU A 70 -9.361 8.234 -10.373 1.00 0.00 C ATOM 969 CG LEU A 70 -8.204 7.508 -11.062 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.439 7.407 -12.570 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.866 8.174 -10.734 1.00 0.00 C ATOM 0 H LEU A 70 -10.540 6.502 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.328 8.485 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.296 7.788 -10.711 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.363 9.271 -10.708 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.161 6.490 -10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.602 6.887 -13.035 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.359 6.854 -12.759 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.524 8.408 -12.993 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.060 7.639 -11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.882 9.209 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.702 8.149 -9.657 1.00 0.00 H new ATOM 983 N GLY A 71 -11.524 9.236 -8.650 1.00 0.00 N ATOM 984 CA GLY A 71 -12.516 10.166 -8.137 1.00 0.00 C ATOM 985 C GLY A 71 -13.277 9.559 -6.956 1.00 0.00 C ATOM 986 O GLY A 71 -14.481 9.766 -6.817 1.00 0.00 O ATOM 0 H GLY A 71 -11.872 8.587 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.027 11.089 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.217 10.429 -8.929 1.00 0.00 H new ATOM 990 N LEU A 72 -12.542 8.822 -6.136 1.00 0.00 N ATOM 991 CA LEU A 72 -13.133 8.184 -4.972 1.00 0.00 C ATOM 992 C LEU A 72 -12.677 8.916 -3.708 1.00 0.00 C ATOM 993 O LEU A 72 -11.495 9.220 -3.555 1.00 0.00 O ATOM 994 CB LEU A 72 -12.817 6.687 -4.963 1.00 0.00 C ATOM 995 CG LEU A 72 -13.755 5.799 -5.783 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.388 4.322 -5.626 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.218 6.067 -5.424 1.00 0.00 C ATOM 0 H LEU A 72 -11.543 8.653 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.220 8.257 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.801 6.548 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.830 6.339 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.631 6.052 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.070 3.713 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.366 4.162 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.466 4.037 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.863 5.423 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.377 5.859 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.458 7.110 -5.629 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.638 9.178 -2.835 1.00 0.00 N ATOM 1010 CA GLY A 73 -13.350 9.869 -1.589 1.00 0.00 C ATOM 1011 C GLY A 73 -12.632 8.945 -0.603 1.00 0.00 C ATOM 1012 O GLY A 73 -12.799 7.728 -0.654 1.00 0.00 O ATOM 0 H GLY A 73 -14.617 8.924 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.732 10.744 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.278 10.229 -1.146 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.848 9.559 0.270 1.00 0.00 N ATOM 1017 CA TYR A 74 -11.104 8.807 1.266 1.00 0.00 C ATOM 1018 C TYR A 74 -12.014 7.824 2.004 1.00 0.00 C ATOM 1019 O TYR A 74 -11.614 6.697 2.291 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.573 9.839 2.263 1.00 0.00 C ATOM 1021 CG TYR A 74 -10.105 9.238 3.590 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -11.011 9.027 4.610 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.777 8.907 3.768 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -10.570 8.461 5.859 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -8.336 8.342 5.017 1.00 0.00 C ATOM 1026 CZ TYR A 74 -9.255 8.146 6.001 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.839 7.612 7.180 1.00 0.00 O ATOM 0 H TYR A 74 -11.712 10.569 0.309 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.307 8.231 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.742 10.376 1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.355 10.572 2.463 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.050 9.286 4.472 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.068 9.072 2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.268 8.291 6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.299 8.080 5.169 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.876 7.436 7.138 1.00 0.00 H new ATOM 1037 N LEU A 75 -13.223 8.286 2.290 1.00 0.00 N ATOM 1038 CA LEU A 75 -14.193 7.461 2.989 1.00 0.00 C ATOM 1039 C LEU A 75 -14.721 6.386 2.037 1.00 0.00 C ATOM 1040 O LEU A 75 -15.196 5.340 2.478 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.292 8.331 3.603 1.00 0.00 C ATOM 1042 CG LEU A 75 -15.160 8.619 5.100 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -16.163 9.685 5.544 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -15.290 7.333 5.919 1.00 0.00 C ATOM 0 H LEU A 75 -13.552 9.221 2.050 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.722 6.944 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.315 9.282 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.252 7.845 3.430 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.163 9.019 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.048 9.871 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.981 10.608 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.176 9.337 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.192 7.566 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.265 6.881 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.506 6.635 5.627 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.621 6.680 0.749 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.083 5.751 -0.269 1.00 0.00 C ATOM 1058 C ARG A 76 -14.037 4.659 -0.504 1.00 0.00 C ATOM 1059 O ARG A 76 -14.378 3.484 -0.626 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.362 6.473 -1.588 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.864 6.679 -1.793 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.507 5.438 -2.415 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.938 5.695 -2.694 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.912 5.587 -1.780 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.616 5.226 -0.524 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -21.183 5.839 -2.122 1.00 0.00 N ATOM 0 H ARG A 76 -14.227 7.548 0.387 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.009 5.301 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.855 7.438 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.954 5.894 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.339 6.898 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.032 7.542 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.990 5.174 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.407 4.589 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.199 5.971 -3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.649 5.033 -0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.358 5.144 0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.409 6.113 -3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.924 5.757 -1.426 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.784 5.087 -0.562 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.686 4.161 -0.781 1.00 0.00 C ATOM 1082 C ALA A 77 -11.555 3.236 0.431 1.00 0.00 C ATOM 1083 O ALA A 77 -11.535 2.015 0.285 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.402 4.947 -1.056 1.00 0.00 C ATOM 0 H ALA A 77 -12.505 6.063 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.879 3.536 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.578 4.252 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.537 5.566 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.175 5.583 -0.201 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.469 3.854 1.600 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.341 3.101 2.836 1.00 0.00 C ATOM 1092 C VAL A 78 -12.420 2.017 2.883 1.00 0.00 C ATOM 1093 O VAL A 78 -12.125 0.855 3.156 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.395 4.051 4.035 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.766 4.720 4.142 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -11.038 3.319 5.330 1.00 0.00 C ATOM 0 H VAL A 78 -11.485 4.867 1.717 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.375 2.599 2.879 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.653 4.833 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.778 5.390 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.964 5.291 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.535 3.957 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.084 4.016 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.746 2.507 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.030 2.912 5.252 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.647 2.437 2.612 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.771 1.516 2.620 1.00 0.00 C ATOM 1108 C ASP A 79 -14.485 0.361 1.659 1.00 0.00 C ATOM 1109 O ASP A 79 -14.540 -0.804 2.050 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.054 2.210 2.157 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.317 1.811 2.922 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.377 2.136 4.127 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.194 1.189 2.284 1.00 0.00 O ATOM 0 H ASP A 79 -13.887 3.402 2.386 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.904 1.154 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.919 3.288 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.205 1.994 1.099 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.185 0.723 0.420 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.890 -0.269 -0.599 1.00 0.00 C ATOM 1120 C LEU A 80 -13.015 -1.369 0.004 1.00 0.00 C ATOM 1121 O LEU A 80 -13.325 -2.553 -0.121 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.279 0.397 -1.834 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.264 1.074 -2.789 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.575 1.472 -4.095 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.488 0.188 -3.032 1.00 0.00 C ATOM 0 H LEU A 80 -14.140 1.690 0.099 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.808 -0.746 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.557 1.142 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.724 -0.357 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.619 1.992 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.297 1.951 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.763 2.167 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.173 0.582 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.173 0.692 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.171 -0.758 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.994 -0.002 -2.085 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.938 -0.939 0.645 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.015 -1.873 1.268 1.00 0.00 C ATOM 1139 C ILE A 81 -11.709 -2.561 2.445 1.00 0.00 C ATOM 1140 O ILE A 81 -11.608 -3.776 2.606 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.713 -1.165 1.650 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.812 -0.979 0.427 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.999 -1.906 2.782 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.794 0.483 -0.023 1.00 0.00 C ATOM 0 H ILE A 81 -11.684 0.044 0.746 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.731 -2.655 0.564 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.960 -0.171 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.799 -1.303 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.165 -1.610 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.077 -1.383 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.647 -1.943 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.764 -2.921 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.146 0.588 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.805 0.796 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.418 1.108 0.787 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.400 -1.754 3.237 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.110 -2.269 4.395 1.00 0.00 C ATOM 1158 C ARG A 82 -13.986 -3.458 3.994 1.00 0.00 C ATOM 1159 O ARG A 82 -13.868 -4.541 4.564 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.989 -1.188 5.028 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.138 -0.157 5.772 1.00 0.00 C ATOM 1162 CD ARG A 82 -13.512 -0.103 7.254 1.00 0.00 C ATOM 1163 NE ARG A 82 -12.376 0.420 8.045 1.00 0.00 N ATOM 1164 CZ ARG A 82 -12.472 0.836 9.315 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -13.653 0.792 9.946 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -11.387 1.295 9.954 1.00 0.00 N ATOM 0 H ARG A 82 -12.483 -0.747 3.099 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.366 -2.590 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.575 -0.691 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.697 -1.647 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.083 -0.409 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.276 0.826 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.386 0.533 7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.783 -1.099 7.606 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.462 0.467 7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.478 0.442 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.727 1.109 10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.488 1.328 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.460 1.612 10.921 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.846 -3.216 3.015 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.741 -4.253 2.531 1.00 0.00 C ATOM 1182 C HIS A 83 -15.083 -4.996 1.367 1.00 0.00 C ATOM 1183 O HIS A 83 -15.759 -5.397 0.421 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.105 -3.665 2.165 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.690 -2.763 3.225 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.607 -1.383 3.165 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.368 -3.059 4.372 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.210 -0.881 4.233 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.681 -1.921 4.979 1.00 0.00 N ATOM 0 H HIS A 83 -14.942 -2.316 2.544 1.00 0.00 H new ATOM 0 HA HIS A 83 -15.924 -4.980 3.322 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.009 -3.102 1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.801 -4.481 1.973 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.158 -0.844 2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.609 -4.051 4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.311 0.168 4.471 1.00 0.00 H new ATOM 1197 N GLY A 84 -13.772 -5.156 1.474 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.016 -5.844 0.441 1.00 0.00 C ATOM 1199 C GLY A 84 -13.813 -7.017 -0.133 1.00 0.00 C ATOM 1200 O GLY A 84 -14.582 -6.847 -1.078 1.00 0.00 O ATOM 0 H GLY A 84 -13.214 -4.821 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.765 -5.145 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.075 -6.207 0.855 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.601 -8.182 0.462 1.00 0.00 N ATOM 1205 CA GLY A 85 -14.290 -9.383 0.022 1.00 0.00 C ATOM 1206 C GLY A 85 -13.358 -10.595 0.062 1.00 0.00 C ATOM 1207 O GLY A 85 -13.182 -11.281 -0.945 1.00 0.00 O ATOM 0 H GLY A 85 -12.962 -8.319 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.156 -9.564 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.665 -9.241 -0.992 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.785 -10.823 1.234 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.876 -11.941 1.418 1.00 0.00 C ATOM 1213 C LYS A 86 -10.586 -11.677 0.639 1.00 0.00 C ATOM 1214 O LYS A 86 -9.508 -11.591 1.226 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.561 -13.257 1.045 1.00 0.00 C ATOM 1216 CG LYS A 86 -11.604 -14.439 1.207 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.328 -15.767 0.974 1.00 0.00 C ATOM 1218 CE LYS A 86 -12.462 -16.555 2.278 1.00 0.00 C ATOM 1219 NZ LYS A 86 -13.888 -16.805 2.588 1.00 0.00 N ATOM 0 H LYS A 86 -12.933 -10.252 2.066 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.601 -12.039 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.438 -13.406 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.913 -13.208 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.778 -14.342 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.172 -14.427 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.317 -15.578 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.781 -16.360 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.930 -17.503 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.998 -16.001 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.961 -17.341 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.386 -15.897 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.320 -17.353 1.817 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.738 -11.556 -0.672 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.599 -11.304 -1.537 1.00 0.00 C ATOM 1235 C LYS A 87 -9.463 -9.797 -1.768 1.00 0.00 C ATOM 1236 O LYS A 87 -10.269 -9.199 -2.479 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.718 -12.115 -2.829 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.887 -13.398 -2.749 1.00 0.00 C ATOM 1239 CD LYS A 87 -9.266 -14.367 -3.871 1.00 0.00 C ATOM 1240 CE LYS A 87 -8.152 -14.456 -4.917 1.00 0.00 C ATOM 1241 NZ LYS A 87 -8.080 -15.822 -5.481 1.00 0.00 N ATOM 0 H LYS A 87 -11.633 -11.628 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.678 -11.639 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.763 -12.365 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.383 -11.512 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.827 -13.154 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.042 -13.877 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.458 -15.355 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.190 -14.036 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.335 -13.736 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.197 -14.193 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.319 -15.866 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.883 -16.502 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.987 -16.060 -5.932 1.00 0.00 H new ATOM 1255 N MET A 88 -8.437 -9.227 -1.153 1.00 0.00 N ATOM 1256 CA MET A 88 -8.185 -7.802 -1.283 1.00 0.00 C ATOM 1257 C MET A 88 -7.009 -7.536 -2.225 1.00 0.00 C ATOM 1258 O MET A 88 -5.894 -7.992 -1.976 1.00 0.00 O ATOM 1259 CB MET A 88 -7.880 -7.210 0.095 1.00 0.00 C ATOM 1260 CG MET A 88 -9.145 -7.134 0.952 1.00 0.00 C ATOM 1261 SD MET A 88 -9.539 -5.430 1.308 1.00 0.00 S ATOM 1262 CE MET A 88 -9.643 -4.783 -0.352 1.00 0.00 C ATOM 0 H MET A 88 -7.771 -9.726 -0.564 1.00 0.00 H new ATOM 0 HA MET A 88 -9.075 -7.332 -1.702 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.131 -7.821 0.599 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.454 -6.213 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.977 -7.607 0.430 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.998 -7.684 1.882 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.237 -3.772 -0.375 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.071 -5.419 -1.027 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.685 -4.762 -0.670 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.299 -6.800 -3.288 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.279 -6.468 -4.268 1.00 0.00 C ATOM 1274 C ARG A 89 -5.988 -4.967 -4.244 1.00 0.00 C ATOM 1275 O ARG A 89 -6.870 -4.164 -3.940 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.718 -6.873 -5.677 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.507 -7.117 -6.580 1.00 0.00 C ATOM 1278 CD ARG A 89 -5.869 -8.039 -7.746 1.00 0.00 C ATOM 1279 NE ARG A 89 -6.457 -7.250 -8.851 1.00 0.00 N ATOM 1280 CZ ARG A 89 -6.676 -7.730 -10.083 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -6.358 -8.998 -10.374 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -7.214 -6.941 -11.023 1.00 0.00 N ATOM 0 H ARG A 89 -8.225 -6.424 -3.492 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.376 -7.020 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.326 -7.776 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.344 -6.090 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.138 -6.166 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.699 -7.561 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.980 -8.563 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.577 -8.799 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.712 -6.280 -8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.949 -9.598 -9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.525 -9.363 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.457 -5.976 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.381 -7.306 -11.961 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.748 -4.631 -4.568 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.330 -3.240 -4.587 1.00 0.00 C ATOM 1298 C PHE A 90 -3.286 -2.996 -5.680 1.00 0.00 C ATOM 1299 O PHE A 90 -2.279 -3.698 -5.749 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.702 -2.943 -3.224 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.561 -3.379 -2.035 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.800 -2.848 -1.860 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.085 -4.299 -1.154 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.597 -3.253 -0.757 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -4.881 -4.705 -0.051 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.121 -4.173 0.125 1.00 0.00 C ATOM 0 H PHE A 90 -4.019 -5.299 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.187 -2.597 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.736 -3.443 -3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.512 -1.872 -3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.178 -2.118 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.101 -4.721 -1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.581 -2.831 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.503 -5.436 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.727 -4.481 0.964 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.564 -1.999 -6.506 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.662 -1.653 -7.592 1.00 0.00 C ATOM 1318 C LEU A 91 -1.626 -0.647 -7.088 1.00 0.00 C ATOM 1319 O LEU A 91 -1.866 0.560 -7.111 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.451 -1.167 -8.809 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.640 -0.938 -10.086 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.663 -2.090 -10.330 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.560 -0.702 -11.286 1.00 0.00 C ATOM 0 H LEU A 91 -4.401 -1.419 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.114 -2.533 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.233 -1.895 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.948 -0.233 -8.546 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.045 -0.034 -9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.099 -1.902 -11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.975 -2.168 -9.489 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.218 -3.023 -10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.958 -0.542 -12.180 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.200 -1.572 -11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.178 0.177 -11.103 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.497 -1.179 -6.645 1.00 0.00 N ATOM 1336 CA VAL A 92 0.576 -0.343 -6.136 1.00 0.00 C ATOM 1337 C VAL A 92 1.530 0.008 -7.280 1.00 0.00 C ATOM 1338 O VAL A 92 1.965 -0.871 -8.022 1.00 0.00 O ATOM 1339 CB VAL A 92 1.276 -1.041 -4.968 1.00 0.00 C ATOM 1340 CG1 VAL A 92 2.246 -0.091 -4.263 1.00 0.00 C ATOM 1341 CG2 VAL A 92 0.256 -1.614 -3.982 1.00 0.00 C ATOM 0 H VAL A 92 -0.302 -2.180 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 92 0.177 0.593 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 92 1.855 -1.871 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.730 -0.612 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.002 0.248 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.698 0.769 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.779 -2.105 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.362 -0.807 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.377 -2.339 -4.494 1.00 0.00 H new ATOM 1351 N ALA A 93 1.826 1.295 -7.388 1.00 0.00 N ATOM 1352 CA ALA A 93 2.719 1.773 -8.429 1.00 0.00 C ATOM 1353 C ALA A 93 4.111 2.003 -7.835 1.00 0.00 C ATOM 1354 O ALA A 93 4.248 2.653 -6.800 1.00 0.00 O ATOM 1355 CB ALA A 93 2.138 3.040 -9.060 1.00 0.00 C ATOM 0 H ALA A 93 1.463 2.022 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 93 2.816 1.030 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.809 3.398 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.163 2.817 -9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.028 3.809 -8.296 1.00 0.00 H new ATOM 1361 N LYS A 94 5.108 1.458 -8.516 1.00 0.00 N ATOM 1362 CA LYS A 94 6.483 1.595 -8.069 1.00 0.00 C ATOM 1363 C LYS A 94 6.918 3.055 -8.213 1.00 0.00 C ATOM 1364 O LYS A 94 7.319 3.483 -9.295 1.00 0.00 O ATOM 1365 CB LYS A 94 7.388 0.608 -8.808 1.00 0.00 C ATOM 1366 CG LYS A 94 8.168 -0.265 -7.822 1.00 0.00 C ATOM 1367 CD LYS A 94 7.224 -0.955 -6.836 1.00 0.00 C ATOM 1368 CE LYS A 94 7.338 -0.335 -5.442 1.00 0.00 C ATOM 1369 NZ LYS A 94 7.430 -1.391 -4.410 1.00 0.00 N ATOM 0 H LYS A 94 4.991 0.920 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 94 6.567 1.339 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.786 -0.024 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.084 1.154 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.740 -1.015 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.885 0.348 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.197 -0.872 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.459 -2.018 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.218 0.306 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.472 0.297 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.473 -0.953 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.594 -2.007 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.288 -1.957 -4.568 1.00 0.00 H new ATOM 1383 N SER A 95 6.824 3.779 -7.108 1.00 0.00 N ATOM 1384 CA SER A 95 7.203 5.182 -7.098 1.00 0.00 C ATOM 1385 C SER A 95 8.633 5.334 -6.577 1.00 0.00 C ATOM 1386 O SER A 95 9.182 4.409 -5.981 1.00 0.00 O ATOM 1387 CB SER A 95 6.237 6.007 -6.245 1.00 0.00 C ATOM 1388 OG SER A 95 5.605 7.038 -7.000 1.00 0.00 O ATOM 0 H SER A 95 6.491 3.421 -6.213 1.00 0.00 H new ATOM 0 HA SER A 95 7.154 5.557 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.477 5.351 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.779 6.450 -5.409 1.00 0.00 H new ATOM 0 HG SER A 95 4.883 7.436 -6.470 1.00 0.00 H new ATOM 1394 N ASP A 96 9.196 6.509 -6.820 1.00 0.00 N ATOM 1395 CA ASP A 96 10.552 6.794 -6.383 1.00 0.00 C ATOM 1396 C ASP A 96 10.565 6.979 -4.864 1.00 0.00 C ATOM 1397 O ASP A 96 9.511 7.015 -4.230 1.00 0.00 O ATOM 1398 CB ASP A 96 11.077 8.082 -7.020 1.00 0.00 C ATOM 1399 CG ASP A 96 11.168 8.056 -8.547 1.00 0.00 C ATOM 1400 OD1 ASP A 96 12.186 7.530 -9.047 1.00 0.00 O ATOM 1401 OD2 ASP A 96 10.218 8.564 -9.181 1.00 0.00 O ATOM 0 H ASP A 96 8.737 7.275 -7.314 1.00 0.00 H new ATOM 0 HA ASP A 96 11.185 5.959 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.429 8.907 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.067 8.293 -6.615 1.00 0.00 H new ATOM 1406 N VAL A 97 11.770 7.091 -4.324 1.00 0.00 N ATOM 1407 CA VAL A 97 11.934 7.272 -2.891 1.00 0.00 C ATOM 1408 C VAL A 97 11.345 8.623 -2.481 1.00 0.00 C ATOM 1409 O VAL A 97 10.614 8.712 -1.496 1.00 0.00 O ATOM 1410 CB VAL A 97 13.408 7.121 -2.511 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.647 7.552 -1.062 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.891 5.689 -2.743 1.00 0.00 C ATOM 0 H VAL A 97 12.642 7.060 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 97 11.391 6.502 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 97 13.989 7.779 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.703 7.435 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.360 8.597 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.049 6.932 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.942 5.610 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.302 5.003 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.774 5.432 -3.796 1.00 0.00 H new ATOM 1422 N GLU A 98 11.686 9.641 -3.257 1.00 0.00 N ATOM 1423 CA GLU A 98 11.200 10.984 -2.987 1.00 0.00 C ATOM 1424 C GLU A 98 9.738 10.939 -2.539 1.00 0.00 C ATOM 1425 O GLU A 98 9.399 11.435 -1.466 1.00 0.00 O ATOM 1426 CB GLU A 98 11.372 11.885 -4.211 1.00 0.00 C ATOM 1427 CG GLU A 98 12.852 12.155 -4.491 1.00 0.00 C ATOM 1428 CD GLU A 98 13.120 12.229 -5.996 1.00 0.00 C ATOM 1429 OE1 GLU A 98 12.233 12.749 -6.706 1.00 0.00 O ATOM 1430 OE2 GLU A 98 14.207 11.764 -6.402 1.00 0.00 O ATOM 0 H GLU A 98 12.293 9.563 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 98 11.794 11.409 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.914 11.414 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.851 12.829 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.151 13.091 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.460 11.366 -4.048 1.00 0.00 H new ATOM 1437 N THR A 99 8.912 10.340 -3.384 1.00 0.00 N ATOM 1438 CA THR A 99 7.494 10.225 -3.089 1.00 0.00 C ATOM 1439 C THR A 99 7.285 9.817 -1.629 1.00 0.00 C ATOM 1440 O THR A 99 6.423 10.367 -0.945 1.00 0.00 O ATOM 1441 CB THR A 99 6.881 9.241 -4.088 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.569 10.047 -5.221 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.525 8.705 -3.626 1.00 0.00 C ATOM 0 H THR A 99 9.198 9.929 -4.273 1.00 0.00 H new ATOM 0 HA THR A 99 6.988 11.183 -3.202 1.00 0.00 H new ATOM 0 HB THR A 99 7.566 8.407 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.168 9.488 -5.919 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.135 8.012 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.644 8.186 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.829 9.535 -3.503 1.00 0.00 H new ATOM 1451 N ALA A 100 8.088 8.856 -1.196 1.00 0.00 N ATOM 1452 CA ALA A 100 8.002 8.369 0.170 1.00 0.00 C ATOM 1453 C ALA A 100 8.436 9.477 1.131 1.00 0.00 C ATOM 1454 O ALA A 100 7.746 9.761 2.110 1.00 0.00 O ATOM 1455 CB ALA A 100 8.852 7.105 0.316 1.00 0.00 C ATOM 0 H ALA A 100 8.801 8.402 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 100 6.975 8.102 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.788 6.740 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.484 6.339 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.890 7.335 0.078 1.00 0.00 H new ATOM 1461 N LYS A 101 9.576 10.074 0.819 1.00 0.00 N ATOM 1462 CA LYS A 101 10.110 11.146 1.643 1.00 0.00 C ATOM 1463 C LYS A 101 8.971 12.076 2.063 1.00 0.00 C ATOM 1464 O LYS A 101 8.790 12.345 3.250 1.00 0.00 O ATOM 1465 CB LYS A 101 11.252 11.861 0.918 1.00 0.00 C ATOM 1466 CG LYS A 101 12.404 10.897 0.624 1.00 0.00 C ATOM 1467 CD LYS A 101 13.659 11.658 0.194 1.00 0.00 C ATOM 1468 CE LYS A 101 14.790 10.692 -0.166 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.165 9.873 1.009 1.00 0.00 N ATOM 0 H LYS A 101 10.146 9.836 0.007 1.00 0.00 H new ATOM 0 HA LYS A 101 10.546 10.743 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.884 12.289 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.613 12.689 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.621 10.303 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.109 10.201 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.429 12.290 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.982 12.318 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.476 10.043 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.656 11.252 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.073 9.400 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.255 10.486 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.431 9.157 1.182 1.00 0.00 H new ATOM 1483 N LYS A 102 8.232 12.542 1.067 1.00 0.00 N ATOM 1484 CA LYS A 102 7.115 13.437 1.319 1.00 0.00 C ATOM 1485 C LYS A 102 6.170 12.792 2.335 1.00 0.00 C ATOM 1486 O LYS A 102 5.696 13.456 3.256 1.00 0.00 O ATOM 1487 CB LYS A 102 6.434 13.826 0.006 1.00 0.00 C ATOM 1488 CG LYS A 102 7.303 14.796 -0.797 1.00 0.00 C ATOM 1489 CD LYS A 102 7.786 14.152 -2.098 1.00 0.00 C ATOM 1490 CE LYS A 102 9.213 14.591 -2.431 1.00 0.00 C ATOM 1491 NZ LYS A 102 10.177 13.979 -1.489 1.00 0.00 N ATOM 0 H LYS A 102 8.385 12.317 0.084 1.00 0.00 H new ATOM 0 HA LYS A 102 7.466 14.371 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.240 12.931 -0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.468 14.286 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.734 15.698 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.161 15.102 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.748 13.067 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.118 14.427 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.460 14.301 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.287 15.677 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.123 13.966 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.204 14.535 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.882 13.005 -1.274 1.00 0.00 H new ATOM 1505 N ILE A 103 5.924 11.506 2.133 1.00 0.00 N ATOM 1506 CA ILE A 103 5.044 10.764 3.020 1.00 0.00 C ATOM 1507 C ILE A 103 5.637 10.756 4.431 1.00 0.00 C ATOM 1508 O ILE A 103 4.915 10.575 5.410 1.00 0.00 O ATOM 1509 CB ILE A 103 4.772 9.367 2.460 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.126 9.448 1.075 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.934 8.538 3.435 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.607 9.293 1.169 1.00 0.00 C ATOM 0 H ILE A 103 6.319 10.959 1.368 1.00 0.00 H new ATOM 0 HA ILE A 103 4.071 11.251 3.085 1.00 0.00 H new ATOM 0 HB ILE A 103 5.727 8.855 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.370 10.404 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.536 8.669 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.755 7.549 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.469 8.437 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.980 9.036 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.173 9.354 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.367 8.326 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.198 10.088 1.792 1.00 0.00 H new ATOM 1524 N HIS A 104 6.945 10.955 4.489 1.00 0.00 N ATOM 1525 CA HIS A 104 7.644 10.973 5.763 1.00 0.00 C ATOM 1526 C HIS A 104 7.764 12.415 6.262 1.00 0.00 C ATOM 1527 O HIS A 104 7.945 13.337 5.469 1.00 0.00 O ATOM 1528 CB HIS A 104 8.998 10.270 5.651 1.00 0.00 C ATOM 1529 CG HIS A 104 8.935 8.777 5.871 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.998 7.934 5.601 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.926 7.987 6.338 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.635 6.695 5.896 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.350 6.730 6.352 1.00 0.00 N ATOM 0 H HIS A 104 7.540 11.105 3.674 1.00 0.00 H new ATOM 0 HA HIS A 104 7.071 10.415 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.416 10.464 4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.683 10.706 6.378 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.948 8.327 6.644 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.249 5.812 5.794 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.805 5.923 6.654 1.00 0.00 H new