USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 41 THR OG1 : rot -82:sc= -0.294 USER MOD Set 1.2: A 75 MET CE :methyl -122:sc= -2.76 (180deg=-5.01!) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 ASN : amide:sc= -2.96! C(o=-3!,f=-8!) USER MOD Set 3.1: A 64 ASN : amide:sc= -1.28 K(o=-2.2,f=-10!) USER MOD Set 3.2: A 66 LYS NZ :NH3+ -149:sc= -0.872 (180deg=0.113) USER MOD Set 4.1: A 51 MET CE :methyl -104:sc= -0.747 (180deg=-3.87!) USER MOD Set 4.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.787 K(o=-0.79,f=-4.2!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 31 MET CE :methyl -128:sc= -2.26! (180deg=-5.86!) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.666 (180deg=-0.89) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.807 F(o=-2.4!,f=-0.81) USER MOD Single : A 44 GLN : amide:sc= 0.307 K(o=0.31,f=-7.5!) USER MOD Single : A 48 GLN : amide:sc= -6.29! C(o=-6.3!,f=-9.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 178:sc= -0.389 (180deg=-0.396) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 162:sc= -0.31 (180deg=-0.624) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 5:sc= 0.0761 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.668 3.690 -13.832 1.00 0.00 N ATOM 60 CA GLY A 7 -5.281 4.039 -12.476 1.00 0.00 C ATOM 61 C GLY A 7 -6.508 4.181 -11.574 1.00 0.00 C ATOM 62 O GLY A 7 -7.342 5.060 -11.788 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.617 3.273 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.721 4.974 -12.483 1.00 0.00 H new ATOM 66 N TYR A 8 -6.581 3.303 -10.584 1.00 0.00 N ATOM 67 CA TYR A 8 -7.693 3.320 -9.649 1.00 0.00 C ATOM 68 C TYR A 8 -7.317 4.060 -8.364 1.00 0.00 C ATOM 69 O TYR A 8 -6.137 4.249 -8.075 1.00 0.00 O ATOM 70 CB TYR A 8 -7.985 1.856 -9.314 1.00 0.00 C ATOM 71 CG TYR A 8 -8.764 1.112 -10.400 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.144 1.132 -10.395 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.088 0.422 -11.385 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.878 0.432 -11.417 1.00 0.00 C ATOM 75 CE2 TYR A 8 -8.822 -0.278 -12.407 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.181 -0.238 -12.372 1.00 0.00 C ATOM 77 OH TYR A 8 -10.874 -0.899 -13.338 1.00 0.00 O ATOM 0 H TYR A 8 -5.888 2.575 -10.409 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.553 3.828 -10.085 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.041 1.339 -9.139 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.549 1.813 -8.382 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.673 1.673 -9.624 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.008 0.407 -11.390 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.958 0.439 -11.424 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.305 -0.822 -13.184 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.246 -1.331 -13.953 1.00 0.00 H new ATOM 87 N SER A 9 -8.344 4.459 -7.627 1.00 0.00 N ATOM 88 CA SER A 9 -8.136 5.174 -6.379 1.00 0.00 C ATOM 89 C SER A 9 -8.679 4.352 -5.208 1.00 0.00 C ATOM 90 O SER A 9 -9.889 4.173 -5.079 1.00 0.00 O ATOM 91 CB SER A 9 -8.803 6.550 -6.415 1.00 0.00 C ATOM 92 OG SER A 9 -9.258 6.889 -7.723 1.00 0.00 O ATOM 0 H SER A 9 -9.322 4.301 -7.870 1.00 0.00 H new ATOM 0 HA SER A 9 -7.065 5.323 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.645 6.563 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.096 7.305 -6.070 1.00 0.00 H new ATOM 0 HG SER A 9 -9.679 7.774 -7.704 1.00 0.00 H new ATOM 98 N VAL A 10 -7.758 3.874 -4.384 1.00 0.00 N ATOM 99 CA VAL A 10 -8.129 3.076 -3.228 1.00 0.00 C ATOM 100 C VAL A 10 -7.619 3.758 -1.958 1.00 0.00 C ATOM 101 O VAL A 10 -6.888 4.745 -2.029 1.00 0.00 O ATOM 102 CB VAL A 10 -7.608 1.647 -3.391 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.149 1.008 -4.671 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.078 1.615 -3.366 1.00 0.00 C ATOM 0 H VAL A 10 -6.755 4.024 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.213 3.005 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.969 1.061 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.763 -0.007 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.238 0.980 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.832 1.595 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.734 0.588 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.688 2.224 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.721 2.010 -2.415 1.00 0.00 H new ATOM 114 N THR A 11 -8.023 3.204 -0.824 1.00 0.00 N ATOM 115 CA THR A 11 -7.615 3.747 0.461 1.00 0.00 C ATOM 116 C THR A 11 -6.681 2.771 1.179 1.00 0.00 C ATOM 117 O THR A 11 -6.823 1.557 1.046 1.00 0.00 O ATOM 118 CB THR A 11 -8.879 4.075 1.258 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.291 5.341 0.749 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.587 4.345 2.735 1.00 0.00 C ATOM 0 H THR A 11 -8.628 2.385 -0.768 1.00 0.00 H new ATOM 0 HA THR A 11 -7.042 4.666 0.339 1.00 0.00 H new ATOM 0 HB THR A 11 -9.586 3.250 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.106 5.629 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.518 4.573 3.254 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.128 3.463 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.906 5.192 2.822 1.00 0.00 H new ATOM 128 N VAL A 12 -5.745 3.340 1.926 1.00 0.00 N ATOM 129 CA VAL A 12 -4.787 2.535 2.665 1.00 0.00 C ATOM 130 C VAL A 12 -5.048 2.690 4.165 1.00 0.00 C ATOM 131 O VAL A 12 -5.183 3.806 4.664 1.00 0.00 O ATOM 132 CB VAL A 12 -3.361 2.920 2.264 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.338 2.299 3.218 1.00 0.00 C ATOM 134 CG2 VAL A 12 -3.073 2.522 0.816 1.00 0.00 C ATOM 0 H VAL A 12 -5.630 4.348 2.035 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.906 1.479 2.421 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.272 4.004 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.333 2.588 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.524 2.653 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.428 1.213 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.053 2.807 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.188 1.444 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.772 3.031 0.153 1.00 0.00 H new ATOM 144 N LYS A 13 -5.113 1.553 4.842 1.00 0.00 N ATOM 145 CA LYS A 13 -5.356 1.547 6.274 1.00 0.00 C ATOM 146 C LYS A 13 -4.167 0.900 6.987 1.00 0.00 C ATOM 147 O LYS A 13 -3.887 -0.281 6.787 1.00 0.00 O ATOM 148 CB LYS A 13 -6.697 0.881 6.588 1.00 0.00 C ATOM 149 CG LYS A 13 -7.564 1.781 7.471 1.00 0.00 C ATOM 150 CD LYS A 13 -8.396 0.951 8.451 1.00 0.00 C ATOM 151 CE LYS A 13 -9.806 0.712 7.907 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.819 1.032 8.936 1.00 0.00 N ATOM 0 H LYS A 13 -5.001 0.629 4.425 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.437 2.567 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.224 0.661 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.525 -0.071 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.930 2.474 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.224 2.382 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.905 -0.005 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.455 1.465 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.970 1.328 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.911 -0.327 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.770 0.864 8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.671 0.427 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.729 2.030 9.213 1.00 0.00 H new ATOM 166 N TRP A 14 -3.499 1.702 7.802 1.00 0.00 N ATOM 167 CA TRP A 14 -2.346 1.222 8.545 1.00 0.00 C ATOM 168 C TRP A 14 -2.508 1.658 10.003 1.00 0.00 C ATOM 169 O TRP A 14 -2.245 2.810 10.343 1.00 0.00 O ATOM 170 CB TRP A 14 -1.042 1.718 7.915 1.00 0.00 C ATOM 171 CG TRP A 14 0.212 1.029 8.457 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.475 -0.284 8.510 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.370 1.676 9.024 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.713 -0.530 9.067 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.275 0.700 9.390 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.645 3.040 9.222 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.514 0.984 9.976 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.888 3.308 9.809 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.810 2.337 10.182 1.00 0.00 C ATOM 0 H TRP A 14 -3.734 2.681 7.965 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.291 0.134 8.510 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.090 1.566 6.837 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.955 2.792 8.082 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.198 -1.053 8.161 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.138 -1.446 9.215 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.952 3.820 8.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.205 0.202 10.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.148 4.341 9.984 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.750 2.625 10.629 1.00 0.00 H new ATOM 190 N GLY A 15 -2.941 0.713 10.825 1.00 0.00 N ATOM 191 CA GLY A 15 -3.141 0.985 12.238 1.00 0.00 C ATOM 192 C GLY A 15 -3.762 2.368 12.448 1.00 0.00 C ATOM 193 O GLY A 15 -4.781 2.693 11.841 1.00 0.00 O ATOM 0 H GLY A 15 -3.159 -0.242 10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.788 0.222 12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.187 0.928 12.762 1.00 0.00 H new ATOM 197 N LYS A 16 -3.121 3.144 13.309 1.00 0.00 N ATOM 198 CA LYS A 16 -3.597 4.485 13.607 1.00 0.00 C ATOM 199 C LYS A 16 -3.446 5.363 12.363 1.00 0.00 C ATOM 200 O LYS A 16 -4.226 6.290 12.155 1.00 0.00 O ATOM 201 CB LYS A 16 -2.890 5.042 14.843 1.00 0.00 C ATOM 202 CG LYS A 16 -3.886 5.294 15.978 1.00 0.00 C ATOM 203 CD LYS A 16 -3.472 6.510 16.810 1.00 0.00 C ATOM 204 CE LYS A 16 -2.724 6.080 18.073 1.00 0.00 C ATOM 205 NZ LYS A 16 -2.512 7.239 18.969 1.00 0.00 N ATOM 0 H LYS A 16 -2.276 2.870 13.810 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.658 4.466 13.857 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.124 4.341 15.175 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.382 5.972 14.587 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.882 5.454 15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.944 4.414 16.618 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.838 7.165 16.213 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.356 7.086 17.085 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.291 5.309 18.594 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.764 5.641 17.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.003 6.930 19.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.952 7.962 18.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.432 7.640 19.241 1.00 0.00 H new ATOM 219 N GLU A 17 -2.436 5.039 11.569 1.00 0.00 N ATOM 220 CA GLU A 17 -2.172 5.787 10.351 1.00 0.00 C ATOM 221 C GLU A 17 -3.336 5.632 9.370 1.00 0.00 C ATOM 222 O GLU A 17 -3.968 4.578 9.312 1.00 0.00 O ATOM 223 CB GLU A 17 -0.854 5.346 9.712 1.00 0.00 C ATOM 224 CG GLU A 17 0.307 5.479 10.700 1.00 0.00 C ATOM 225 CD GLU A 17 1.410 6.375 10.132 1.00 0.00 C ATOM 226 OE1 GLU A 17 1.550 6.385 8.890 1.00 0.00 O ATOM 227 OE2 GLU A 17 2.088 7.030 10.953 1.00 0.00 O ATOM 0 H GLU A 17 -1.791 4.269 11.745 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.078 6.842 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.936 4.311 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.654 5.951 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.056 5.895 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.714 4.493 10.924 1.00 0.00 H new ATOM 234 N LYS A 18 -3.585 6.698 8.624 1.00 0.00 N ATOM 235 CA LYS A 18 -4.662 6.694 7.649 1.00 0.00 C ATOM 236 C LYS A 18 -4.228 7.485 6.413 1.00 0.00 C ATOM 237 O LYS A 18 -3.734 8.605 6.530 1.00 0.00 O ATOM 238 CB LYS A 18 -5.959 7.204 8.280 1.00 0.00 C ATOM 239 CG LYS A 18 -7.047 7.393 7.222 1.00 0.00 C ATOM 240 CD LYS A 18 -8.394 6.867 7.720 1.00 0.00 C ATOM 241 CE LYS A 18 -8.950 7.753 8.837 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.245 7.227 9.320 1.00 0.00 N ATOM 0 H LYS A 18 -3.059 7.571 8.675 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.873 5.677 7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.301 6.498 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.773 8.150 8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.136 8.450 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.764 6.871 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.103 6.831 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.278 5.846 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.239 7.798 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.078 8.772 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.608 7.840 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.926 7.207 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.113 6.263 9.688 1.00 0.00 H new ATOM 256 N PHE A 19 -4.428 6.870 5.256 1.00 0.00 N ATOM 257 CA PHE A 19 -4.064 7.502 4.000 1.00 0.00 C ATOM 258 C PHE A 19 -5.189 7.369 2.972 1.00 0.00 C ATOM 259 O PHE A 19 -5.466 6.273 2.487 1.00 0.00 O ATOM 260 CB PHE A 19 -2.823 6.776 3.477 1.00 0.00 C ATOM 261 CG PHE A 19 -1.617 6.850 4.415 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.866 7.983 4.469 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.295 5.783 5.194 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.253 8.052 5.340 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.175 5.852 6.065 1.00 0.00 C ATOM 266 CZ PHE A 19 0.575 6.985 6.120 1.00 0.00 C ATOM 0 H PHE A 19 -4.838 5.941 5.163 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.878 8.564 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.073 5.729 3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.546 7.200 2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.121 8.830 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.891 4.883 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.849 8.952 5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.081 5.005 6.684 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.426 7.038 6.783 1.00 0.00 H new ATOM 276 N GLU A 20 -5.808 8.501 2.670 1.00 0.00 N ATOM 277 CA GLU A 20 -6.898 8.524 1.708 1.00 0.00 C ATOM 278 C GLU A 20 -6.476 9.279 0.446 1.00 0.00 C ATOM 279 O GLU A 20 -6.061 10.435 0.519 1.00 0.00 O ATOM 280 CB GLU A 20 -8.157 9.141 2.321 1.00 0.00 C ATOM 281 CG GLU A 20 -8.587 8.376 3.574 1.00 0.00 C ATOM 282 CD GLU A 20 -10.108 8.415 3.745 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.611 9.504 4.095 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.731 7.355 3.521 1.00 0.00 O ATOM 0 H GLU A 20 -5.576 9.408 3.074 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.134 7.497 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.969 10.184 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.965 9.131 1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.251 7.341 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.107 8.809 4.452 1.00 0.00 H new ATOM 291 N GLY A 21 -6.596 8.595 -0.682 1.00 0.00 N ATOM 292 CA GLY A 21 -6.233 9.187 -1.958 1.00 0.00 C ATOM 293 C GLY A 21 -4.883 8.655 -2.445 1.00 0.00 C ATOM 294 O GLY A 21 -4.015 9.428 -2.848 1.00 0.00 O ATOM 0 H GLY A 21 -6.940 7.636 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.003 8.967 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.187 10.272 -1.860 1.00 0.00 H new ATOM 298 N VAL A 22 -4.748 7.338 -2.391 1.00 0.00 N ATOM 299 CA VAL A 22 -3.519 6.693 -2.821 1.00 0.00 C ATOM 300 C VAL A 22 -3.645 6.293 -4.292 1.00 0.00 C ATOM 301 O VAL A 22 -4.681 5.780 -4.713 1.00 0.00 O ATOM 302 CB VAL A 22 -3.201 5.510 -1.905 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.984 4.734 -2.414 1.00 0.00 C ATOM 304 CG2 VAL A 22 -2.990 5.974 -0.462 1.00 0.00 C ATOM 0 H VAL A 22 -5.470 6.700 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.679 7.383 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.058 4.837 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.779 3.898 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.187 4.355 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.118 5.395 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.765 5.113 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.159 6.678 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.895 6.462 -0.101 1.00 0.00 H new ATOM 314 N GLU A 23 -2.577 6.544 -5.034 1.00 0.00 N ATOM 315 CA GLU A 23 -2.555 6.216 -6.450 1.00 0.00 C ATOM 316 C GLU A 23 -2.301 4.720 -6.645 1.00 0.00 C ATOM 317 O GLU A 23 -1.372 4.164 -6.062 1.00 0.00 O ATOM 318 CB GLU A 23 -1.508 7.051 -7.190 1.00 0.00 C ATOM 319 CG GLU A 23 -0.128 6.894 -6.549 1.00 0.00 C ATOM 320 CD GLU A 23 0.978 6.971 -7.603 1.00 0.00 C ATOM 321 OE1 GLU A 23 1.222 5.928 -8.247 1.00 0.00 O ATOM 322 OE2 GLU A 23 1.555 8.072 -7.741 1.00 0.00 O ATOM 0 H GLU A 23 -1.720 6.971 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.530 6.457 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.465 6.743 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.801 8.101 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.021 7.674 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.072 5.939 -6.027 1.00 0.00 H new ATOM 329 N LEU A 24 -3.144 4.111 -7.466 1.00 0.00 N ATOM 330 CA LEU A 24 -3.023 2.690 -7.745 1.00 0.00 C ATOM 331 C LEU A 24 -3.268 2.445 -9.235 1.00 0.00 C ATOM 332 O LEU A 24 -4.181 3.024 -9.821 1.00 0.00 O ATOM 333 CB LEU A 24 -3.944 1.884 -6.828 1.00 0.00 C ATOM 334 CG LEU A 24 -4.340 0.493 -7.330 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.367 -0.571 -6.819 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.789 0.169 -6.962 1.00 0.00 C ATOM 0 H LEU A 24 -3.914 4.576 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.013 2.343 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.455 1.774 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.854 2.461 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.277 0.492 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.671 -1.550 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.361 -0.345 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.375 -0.578 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.045 -0.825 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.904 0.195 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.453 0.906 -7.415 1.00 0.00 H new ATOM 348 N ASN A 25 -2.437 1.584 -9.805 1.00 0.00 N ATOM 349 CA ASN A 25 -2.553 1.255 -11.215 1.00 0.00 C ATOM 350 C ASN A 25 -2.559 -0.266 -11.381 1.00 0.00 C ATOM 351 O ASN A 25 -1.803 -0.970 -10.712 1.00 0.00 O ATOM 352 CB ASN A 25 -1.370 1.812 -12.010 1.00 0.00 C ATOM 353 CG ASN A 25 -1.569 3.296 -12.322 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.434 3.962 -11.776 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.724 3.777 -13.229 1.00 0.00 N ATOM 0 H ASN A 25 -1.681 1.105 -9.316 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.478 1.695 -11.588 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.450 1.676 -11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.256 1.253 -12.939 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.777 4.757 -13.506 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.023 3.166 -13.648 1.00 0.00 H new ATOM 362 N THR A 26 -3.421 -0.729 -12.275 1.00 0.00 N ATOM 363 CA THR A 26 -3.535 -2.154 -12.536 1.00 0.00 C ATOM 364 C THR A 26 -2.689 -2.543 -13.750 1.00 0.00 C ATOM 365 O THR A 26 -2.115 -3.630 -13.788 1.00 0.00 O ATOM 366 CB THR A 26 -5.020 -2.487 -12.698 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.463 -1.607 -13.728 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.848 -2.078 -11.478 1.00 0.00 C ATOM 0 H THR A 26 -4.047 -0.143 -12.827 1.00 0.00 H new ATOM 0 HA THR A 26 -3.144 -2.741 -11.705 1.00 0.00 H new ATOM 0 HB THR A 26 -5.135 -3.557 -12.873 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.416 -1.757 -13.899 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.894 -2.336 -11.645 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.481 -2.603 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.760 -1.003 -11.323 1.00 0.00 H new ATOM 376 N ASP A 27 -2.639 -1.634 -14.712 1.00 0.00 N ATOM 377 CA ASP A 27 -1.873 -1.868 -15.924 1.00 0.00 C ATOM 378 C ASP A 27 -0.481 -2.381 -15.551 1.00 0.00 C ATOM 379 O ASP A 27 0.164 -3.069 -16.341 1.00 0.00 O ATOM 380 CB ASP A 27 -1.701 -0.576 -16.726 1.00 0.00 C ATOM 381 CG ASP A 27 -2.187 -0.646 -18.175 1.00 0.00 C ATOM 382 OD1 ASP A 27 -3.123 -1.436 -18.423 1.00 0.00 O ATOM 383 OD2 ASP A 27 -1.611 0.093 -19.003 1.00 0.00 O ATOM 0 H ASP A 27 -3.117 -0.734 -14.677 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.412 -2.598 -16.528 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.238 0.224 -16.217 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.646 -0.303 -16.725 1.00 0.00 H new ATOM 388 N GLU A 28 -0.058 -2.027 -14.346 1.00 0.00 N ATOM 389 CA GLU A 28 1.246 -2.444 -13.858 1.00 0.00 C ATOM 390 C GLU A 28 1.093 -3.553 -12.816 1.00 0.00 C ATOM 391 O GLU A 28 -0.021 -3.973 -12.509 1.00 0.00 O ATOM 392 CB GLU A 28 2.022 -1.256 -13.286 1.00 0.00 C ATOM 393 CG GLU A 28 1.359 0.068 -13.670 1.00 0.00 C ATOM 394 CD GLU A 28 1.212 0.188 -15.188 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.587 -0.788 -15.873 1.00 0.00 O ATOM 396 OE2 GLU A 28 0.729 1.253 -15.629 1.00 0.00 O ATOM 0 H GLU A 28 -0.595 -1.456 -13.693 1.00 0.00 H new ATOM 0 HA GLU A 28 1.818 -2.839 -14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.074 -1.340 -12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.047 -1.274 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.378 0.137 -13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.954 0.900 -13.292 1.00 0.00 H new ATOM 403 N PRO A 29 2.260 -4.009 -12.286 1.00 0.00 N ATOM 404 CA PRO A 29 2.267 -5.061 -11.285 1.00 0.00 C ATOM 405 C PRO A 29 1.818 -4.526 -9.924 1.00 0.00 C ATOM 406 O PRO A 29 1.765 -3.315 -9.716 1.00 0.00 O ATOM 407 CB PRO A 29 3.694 -5.586 -11.276 1.00 0.00 C ATOM 408 CG PRO A 29 4.539 -4.507 -11.931 1.00 0.00 C ATOM 409 CD PRO A 29 3.599 -3.536 -12.626 1.00 0.00 C ATOM 0 HA PRO A 29 1.563 -5.862 -11.512 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.031 -5.782 -10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.768 -6.526 -11.823 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.141 -3.988 -11.185 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.231 -4.947 -12.648 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.758 -2.515 -12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.757 -3.535 -13.705 1.00 0.00 H new ATOM 417 N PRO A 30 1.499 -5.479 -9.008 1.00 0.00 N ATOM 418 CA PRO A 30 1.056 -5.116 -7.673 1.00 0.00 C ATOM 419 C PRO A 30 2.231 -4.639 -6.817 1.00 0.00 C ATOM 420 O PRO A 30 2.033 -4.093 -5.732 1.00 0.00 O ATOM 421 CB PRO A 30 0.392 -6.368 -7.124 1.00 0.00 C ATOM 422 CG PRO A 30 0.894 -7.517 -7.983 1.00 0.00 C ATOM 423 CD PRO A 30 1.550 -6.923 -9.219 1.00 0.00 C ATOM 0 HA PRO A 30 0.357 -4.279 -7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.652 -6.521 -6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.694 -6.288 -7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.607 -8.126 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.069 -8.171 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.577 -7.271 -9.328 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.018 -7.210 -10.126 1.00 0.00 H new ATOM 431 N MET A 31 3.429 -4.862 -7.336 1.00 0.00 N ATOM 432 CA MET A 31 4.636 -4.461 -6.633 1.00 0.00 C ATOM 433 C MET A 31 4.711 -2.939 -6.495 1.00 0.00 C ATOM 434 O MET A 31 5.207 -2.427 -5.493 1.00 0.00 O ATOM 435 CB MET A 31 5.863 -4.966 -7.396 1.00 0.00 C ATOM 436 CG MET A 31 5.766 -6.470 -7.656 1.00 0.00 C ATOM 437 SD MET A 31 7.401 -7.175 -7.779 1.00 0.00 S ATOM 438 CE MET A 31 7.402 -8.212 -6.326 1.00 0.00 C ATOM 0 H MET A 31 3.590 -5.315 -8.235 1.00 0.00 H new ATOM 0 HA MET A 31 4.613 -4.896 -5.634 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.951 -4.434 -8.344 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.766 -4.750 -6.824 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.213 -6.952 -6.850 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.212 -6.653 -8.577 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.288 -7.999 -5.728 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.508 -8.011 -5.735 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.411 -9.260 -6.627 1.00 0.00 H new ATOM 448 N VAL A 32 4.212 -2.259 -7.517 1.00 0.00 N ATOM 449 CA VAL A 32 4.216 -0.806 -7.522 1.00 0.00 C ATOM 450 C VAL A 32 3.384 -0.294 -6.345 1.00 0.00 C ATOM 451 O VAL A 32 3.901 0.396 -5.468 1.00 0.00 O ATOM 452 CB VAL A 32 3.723 -0.287 -8.874 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.695 1.243 -8.896 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.578 -0.836 -10.018 1.00 0.00 C ATOM 0 H VAL A 32 3.802 -2.687 -8.347 1.00 0.00 H new ATOM 0 HA VAL A 32 5.229 -0.426 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 32 2.703 -0.644 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.341 1.586 -9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.025 1.606 -8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.699 1.628 -8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.206 -0.451 -10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.613 -0.524 -9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.525 -1.925 -10.022 1.00 0.00 H new ATOM 464 N PHE A 33 2.108 -0.651 -6.364 1.00 0.00 N ATOM 465 CA PHE A 33 1.199 -0.235 -5.310 1.00 0.00 C ATOM 466 C PHE A 33 1.791 -0.526 -3.929 1.00 0.00 C ATOM 467 O PHE A 33 1.558 0.220 -2.980 1.00 0.00 O ATOM 468 CB PHE A 33 -0.086 -1.048 -5.481 1.00 0.00 C ATOM 469 CG PHE A 33 -1.185 -0.693 -4.477 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.826 0.503 -4.565 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.521 -1.574 -3.497 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.846 0.832 -3.634 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.541 -1.245 -2.565 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.182 -0.049 -2.653 1.00 0.00 C ATOM 0 H PHE A 33 1.682 -1.224 -7.093 1.00 0.00 H new ATOM 0 HA PHE A 33 1.015 0.837 -5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.468 -0.897 -6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.151 -2.108 -5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.559 1.203 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.012 -2.524 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.355 1.782 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.807 -1.945 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.958 0.202 -1.944 1.00 0.00 H new ATOM 484 N LYS A 34 2.546 -1.613 -3.862 1.00 0.00 N ATOM 485 CA LYS A 34 3.174 -2.012 -2.613 1.00 0.00 C ATOM 486 C LYS A 34 4.463 -1.211 -2.417 1.00 0.00 C ATOM 487 O LYS A 34 4.933 -1.049 -1.292 1.00 0.00 O ATOM 488 CB LYS A 34 3.380 -3.527 -2.577 1.00 0.00 C ATOM 489 CG LYS A 34 2.041 -4.260 -2.463 1.00 0.00 C ATOM 490 CD LYS A 34 2.232 -5.665 -1.889 1.00 0.00 C ATOM 491 CE LYS A 34 0.928 -6.463 -1.946 1.00 0.00 C ATOM 492 NZ LYS A 34 0.834 -7.386 -0.793 1.00 0.00 N ATOM 0 H LYS A 34 2.737 -2.230 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 34 2.524 -1.782 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.899 -3.849 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.016 -3.791 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.364 -3.692 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.573 -4.325 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.007 -6.188 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.576 -5.596 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.077 -5.781 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.881 -7.028 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.127 -7.781 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.520 -8.159 -0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.043 -6.868 0.084 1.00 0.00 H new ATOM 506 N ALA A 35 4.999 -0.731 -3.530 1.00 0.00 N ATOM 507 CA ALA A 35 6.225 0.048 -3.495 1.00 0.00 C ATOM 508 C ALA A 35 5.931 1.426 -2.897 1.00 0.00 C ATOM 509 O ALA A 35 6.782 2.011 -2.230 1.00 0.00 O ATOM 510 CB ALA A 35 6.814 0.138 -4.904 1.00 0.00 C ATOM 0 H ALA A 35 4.606 -0.867 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 35 6.969 -0.435 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.734 0.722 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.032 -0.865 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.097 0.620 -5.568 1.00 0.00 H new ATOM 516 N GLN A 36 4.722 1.903 -3.157 1.00 0.00 N ATOM 517 CA GLN A 36 4.306 3.200 -2.653 1.00 0.00 C ATOM 518 C GLN A 36 3.955 3.105 -1.167 1.00 0.00 C ATOM 519 O GLN A 36 4.477 3.864 -0.352 1.00 0.00 O ATOM 520 CB GLN A 36 3.128 3.749 -3.460 1.00 0.00 C ATOM 521 CG GLN A 36 2.396 4.847 -2.685 1.00 0.00 C ATOM 522 CD GLN A 36 2.087 6.043 -3.588 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.904 6.604 -3.356 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 2.870 6.430 -4.439 1.00 0.00 N flip ATOM 0 H GLN A 36 4.018 1.414 -3.710 1.00 0.00 H new ATOM 0 HA GLN A 36 5.138 3.895 -2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.487 4.147 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.435 2.941 -3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.469 4.449 -2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.007 5.171 -1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.763 5.953 -4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.632 7.230 -5.025 1.00 0.00 H new ATOM 533 N LEU A 37 3.073 2.165 -0.859 1.00 0.00 N ATOM 534 CA LEU A 37 2.646 1.960 0.515 1.00 0.00 C ATOM 535 C LEU A 37 3.862 2.042 1.440 1.00 0.00 C ATOM 536 O LEU A 37 3.740 2.433 2.599 1.00 0.00 O ATOM 537 CB LEU A 37 1.863 0.652 0.643 1.00 0.00 C ATOM 538 CG LEU A 37 0.518 0.602 -0.084 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.532 -0.130 0.755 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.057 2.005 -0.482 1.00 0.00 C ATOM 0 H LEU A 37 2.642 1.537 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 37 1.958 2.748 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.486 -0.160 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.689 0.458 1.701 1.00 0.00 H new ATOM 0 HG LEU A 37 0.649 0.033 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.479 -0.151 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.199 -1.151 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.667 0.390 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.901 1.941 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.052 2.619 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.795 2.456 -1.145 1.00 0.00 H new ATOM 552 N PHE A 38 5.009 1.666 0.892 1.00 0.00 N ATOM 553 CA PHE A 38 6.246 1.692 1.653 1.00 0.00 C ATOM 554 C PHE A 38 6.579 3.114 2.109 1.00 0.00 C ATOM 555 O PHE A 38 6.887 3.338 3.279 1.00 0.00 O ATOM 556 CB PHE A 38 7.354 1.194 0.723 1.00 0.00 C ATOM 557 CG PHE A 38 8.612 0.720 1.452 1.00 0.00 C ATOM 558 CD1 PHE A 38 8.743 0.930 2.790 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.600 0.088 0.763 1.00 0.00 C ATOM 560 CE1 PHE A 38 9.911 0.489 3.467 1.00 0.00 C ATOM 561 CE2 PHE A 38 10.768 -0.353 1.440 1.00 0.00 C ATOM 562 CZ PHE A 38 10.899 -0.143 2.778 1.00 0.00 C ATOM 0 H PHE A 38 5.107 1.342 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 38 6.150 1.068 2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.966 0.374 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.625 1.996 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.959 1.432 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.496 -0.078 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.015 0.655 4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.552 -0.855 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.787 -0.478 3.293 1.00 0.00 H new ATOM 572 N ALA A 39 6.507 4.037 1.162 1.00 0.00 N ATOM 573 CA ALA A 39 6.797 5.431 1.452 1.00 0.00 C ATOM 574 C ALA A 39 5.608 6.054 2.186 1.00 0.00 C ATOM 575 O ALA A 39 5.670 7.206 2.612 1.00 0.00 O ATOM 576 CB ALA A 39 7.128 6.165 0.150 1.00 0.00 C ATOM 0 H ALA A 39 6.252 3.847 0.193 1.00 0.00 H new ATOM 0 HA ALA A 39 7.667 5.514 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.346 7.211 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.998 5.703 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.277 6.105 -0.528 1.00 0.00 H new ATOM 582 N LEU A 40 4.551 5.264 2.311 1.00 0.00 N ATOM 583 CA LEU A 40 3.349 5.723 2.986 1.00 0.00 C ATOM 584 C LEU A 40 3.479 5.456 4.487 1.00 0.00 C ATOM 585 O LEU A 40 3.240 6.346 5.302 1.00 0.00 O ATOM 586 CB LEU A 40 2.106 5.092 2.355 1.00 0.00 C ATOM 587 CG LEU A 40 1.622 5.726 1.049 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.420 4.967 0.484 1.00 0.00 C ATOM 589 CD2 LEU A 40 1.321 7.214 1.241 1.00 0.00 C ATOM 0 H LEU A 40 4.502 4.309 1.956 1.00 0.00 H new ATOM 0 HA LEU A 40 3.230 6.799 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.312 4.038 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.293 5.135 3.080 1.00 0.00 H new ATOM 0 HG LEU A 40 2.424 5.651 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.096 5.438 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.703 3.933 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.396 4.989 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.979 7.641 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.544 7.334 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.225 7.729 1.565 1.00 0.00 H new ATOM 601 N THR A 41 3.858 4.228 4.807 1.00 0.00 N ATOM 602 CA THR A 41 4.023 3.833 6.195 1.00 0.00 C ATOM 603 C THR A 41 5.506 3.651 6.526 1.00 0.00 C ATOM 604 O THR A 41 5.980 4.130 7.555 1.00 0.00 O ATOM 605 CB THR A 41 3.189 2.573 6.431 1.00 0.00 C ATOM 606 OG1 THR A 41 3.883 1.557 5.711 1.00 0.00 O ATOM 607 CG2 THR A 41 1.819 2.641 5.752 1.00 0.00 C ATOM 0 H THR A 41 4.056 3.493 4.128 1.00 0.00 H new ATOM 0 HA THR A 41 3.664 4.609 6.871 1.00 0.00 H new ATOM 0 HB THR A 41 3.056 2.422 7.502 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.633 1.598 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.268 1.722 5.951 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.260 3.491 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.951 2.759 4.676 1.00 0.00 H new ATOM 615 N GLY A 42 6.197 2.957 5.633 1.00 0.00 N ATOM 616 CA GLY A 42 7.617 2.706 5.817 1.00 0.00 C ATOM 617 C GLY A 42 7.894 1.208 5.956 1.00 0.00 C ATOM 618 O GLY A 42 8.928 0.812 6.492 1.00 0.00 O ATOM 0 H GLY A 42 5.800 2.561 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.174 3.106 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.971 3.229 6.706 1.00 0.00 H new ATOM 622 N VAL A 43 6.953 0.416 5.465 1.00 0.00 N ATOM 623 CA VAL A 43 7.083 -1.030 5.528 1.00 0.00 C ATOM 624 C VAL A 43 7.360 -1.574 4.125 1.00 0.00 C ATOM 625 O VAL A 43 6.700 -1.186 3.163 1.00 0.00 O ATOM 626 CB VAL A 43 5.836 -1.641 6.171 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.876 -3.169 6.102 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.673 -1.161 7.614 1.00 0.00 C ATOM 0 H VAL A 43 6.097 0.748 5.021 1.00 0.00 H new ATOM 0 HA VAL A 43 7.927 -1.310 6.158 1.00 0.00 H new ATOM 0 HB VAL A 43 4.967 -1.303 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.978 -3.578 6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.922 -3.485 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.756 -3.534 6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.779 -1.610 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.546 -1.455 8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.577 -0.075 7.628 1.00 0.00 H new ATOM 638 N GLN A 44 8.338 -2.465 4.053 1.00 0.00 N ATOM 639 CA GLN A 44 8.710 -3.067 2.784 1.00 0.00 C ATOM 640 C GLN A 44 7.499 -3.747 2.143 1.00 0.00 C ATOM 641 O GLN A 44 6.581 -4.174 2.842 1.00 0.00 O ATOM 642 CB GLN A 44 9.864 -4.056 2.963 1.00 0.00 C ATOM 643 CG GLN A 44 11.175 -3.323 3.254 1.00 0.00 C ATOM 644 CD GLN A 44 11.232 -2.859 4.711 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.323 -3.076 5.494 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.349 -2.210 5.028 1.00 0.00 N ATOM 0 H GLN A 44 8.884 -2.785 4.853 1.00 0.00 H new ATOM 0 HA GLN A 44 9.053 -2.277 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.637 -4.741 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.973 -4.660 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.018 -3.982 3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.270 -2.463 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.071 -2.063 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.484 -1.860 5.976 1.00 0.00 H new ATOM 655 N PRO A 45 7.537 -3.830 0.786 1.00 0.00 N ATOM 656 CA PRO A 45 6.454 -4.451 0.044 1.00 0.00 C ATOM 657 C PRO A 45 6.504 -5.975 0.172 1.00 0.00 C ATOM 658 O PRO A 45 5.831 -6.687 -0.572 1.00 0.00 O ATOM 659 CB PRO A 45 6.631 -3.970 -1.387 1.00 0.00 C ATOM 660 CG PRO A 45 8.065 -3.476 -1.486 1.00 0.00 C ATOM 661 CD PRO A 45 8.608 -3.336 -0.074 1.00 0.00 C ATOM 0 HA PRO A 45 5.471 -4.174 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.446 -4.777 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.926 -3.172 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.671 -4.176 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.104 -2.519 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.521 -3.916 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.853 -2.299 0.155 1.00 0.00 H new ATOM 669 N ALA A 46 7.308 -6.431 1.122 1.00 0.00 N ATOM 670 CA ALA A 46 7.455 -7.857 1.357 1.00 0.00 C ATOM 671 C ALA A 46 7.014 -8.181 2.786 1.00 0.00 C ATOM 672 O ALA A 46 7.055 -9.337 3.205 1.00 0.00 O ATOM 673 CB ALA A 46 8.902 -8.273 1.085 1.00 0.00 C ATOM 0 H ALA A 46 7.864 -5.838 1.738 1.00 0.00 H new ATOM 0 HA ALA A 46 6.820 -8.426 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.012 -9.343 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.157 -8.048 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.569 -7.725 1.750 1.00 0.00 H new ATOM 679 N ARG A 47 6.603 -7.141 3.495 1.00 0.00 N ATOM 680 CA ARG A 47 6.155 -7.300 4.868 1.00 0.00 C ATOM 681 C ARG A 47 4.683 -6.903 4.996 1.00 0.00 C ATOM 682 O ARG A 47 3.919 -7.555 5.706 1.00 0.00 O ATOM 683 CB ARG A 47 6.991 -6.447 5.823 1.00 0.00 C ATOM 684 CG ARG A 47 8.478 -6.527 5.471 1.00 0.00 C ATOM 685 CD ARG A 47 9.245 -7.346 6.511 1.00 0.00 C ATOM 686 NE ARG A 47 10.571 -7.729 5.977 1.00 0.00 N ATOM 687 CZ ARG A 47 11.590 -8.158 6.733 1.00 0.00 C ATOM 688 NH1 ARG A 47 11.442 -8.262 8.060 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.758 -8.484 6.161 1.00 0.00 N ATOM 0 H ARG A 47 6.571 -6.184 3.144 1.00 0.00 H new ATOM 0 HA ARG A 47 6.276 -8.350 5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.658 -5.410 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.837 -6.785 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.598 -6.979 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.896 -5.522 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.366 -6.766 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.678 -8.239 6.773 1.00 0.00 H new ATOM 0 HE ARG A 47 10.718 -7.662 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.553 -8.015 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.218 -8.589 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.870 -8.405 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.534 -8.811 6.737 1.00 0.00 H new ATOM 703 N GLN A 48 4.329 -5.834 4.297 1.00 0.00 N ATOM 704 CA GLN A 48 2.962 -5.341 4.324 1.00 0.00 C ATOM 705 C GLN A 48 2.019 -6.357 3.675 1.00 0.00 C ATOM 706 O GLN A 48 2.158 -6.672 2.494 1.00 0.00 O ATOM 707 CB GLN A 48 2.857 -3.979 3.636 1.00 0.00 C ATOM 708 CG GLN A 48 3.773 -3.910 2.413 1.00 0.00 C ATOM 709 CD GLN A 48 3.081 -3.197 1.249 1.00 0.00 C ATOM 710 OE1 GLN A 48 1.930 -3.447 0.931 1.00 0.00 O ATOM 711 NE2 GLN A 48 3.844 -2.298 0.634 1.00 0.00 N ATOM 0 H GLN A 48 4.965 -5.296 3.709 1.00 0.00 H new ATOM 0 HA GLN A 48 2.664 -5.210 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.826 -3.799 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.124 -3.191 4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.692 -3.384 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.057 -4.918 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.800 -2.138 0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.473 -1.769 -0.155 1.00 0.00 H new ATOM 720 N LYS A 49 1.082 -6.842 4.476 1.00 0.00 N ATOM 721 CA LYS A 49 0.117 -7.816 3.995 1.00 0.00 C ATOM 722 C LYS A 49 -1.103 -7.083 3.432 1.00 0.00 C ATOM 723 O LYS A 49 -2.049 -6.793 4.162 1.00 0.00 O ATOM 724 CB LYS A 49 -0.225 -8.821 5.096 1.00 0.00 C ATOM 725 CG LYS A 49 -1.002 -10.011 4.530 1.00 0.00 C ATOM 726 CD LYS A 49 -1.921 -10.620 5.591 1.00 0.00 C ATOM 727 CE LYS A 49 -2.962 -11.541 4.952 1.00 0.00 C ATOM 728 NZ LYS A 49 -4.044 -11.848 5.914 1.00 0.00 N ATOM 0 H LYS A 49 0.970 -6.579 5.455 1.00 0.00 H new ATOM 0 HA LYS A 49 0.542 -8.403 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.692 -9.173 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.816 -8.331 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.593 -9.689 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.305 -10.767 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.327 -11.182 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.423 -9.825 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.380 -11.066 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.486 -12.465 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.742 -12.474 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.643 -12.321 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.509 -10.965 6.207 1.00 0.00 H new ATOM 742 N VAL A 50 -1.041 -6.805 2.138 1.00 0.00 N ATOM 743 CA VAL A 50 -2.128 -6.111 1.468 1.00 0.00 C ATOM 744 C VAL A 50 -3.233 -7.113 1.129 1.00 0.00 C ATOM 745 O VAL A 50 -3.081 -7.927 0.220 1.00 0.00 O ATOM 746 CB VAL A 50 -1.597 -5.368 0.241 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.711 -4.571 -0.441 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.424 -4.460 0.614 1.00 0.00 C ATOM 0 H VAL A 50 -0.255 -7.048 1.535 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.563 -5.357 2.124 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.233 -6.111 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.307 -4.052 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.502 -5.250 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.118 -3.842 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.066 -3.944 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.751 -3.727 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.382 -5.061 1.034 1.00 0.00 H new ATOM 758 N MET A 51 -4.322 -7.021 1.878 1.00 0.00 N ATOM 759 CA MET A 51 -5.453 -7.909 1.668 1.00 0.00 C ATOM 760 C MET A 51 -6.361 -7.386 0.554 1.00 0.00 C ATOM 761 O MET A 51 -6.188 -6.263 0.082 1.00 0.00 O ATOM 762 CB MET A 51 -6.254 -8.031 2.966 1.00 0.00 C ATOM 763 CG MET A 51 -5.834 -9.272 3.755 1.00 0.00 C ATOM 764 SD MET A 51 -7.237 -10.351 3.988 1.00 0.00 S ATOM 765 CE MET A 51 -7.266 -11.169 2.401 1.00 0.00 C ATOM 0 H MET A 51 -4.445 -6.345 2.632 1.00 0.00 H new ATOM 0 HA MET A 51 -5.073 -8.887 1.372 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.103 -7.140 3.576 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.318 -8.084 2.737 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.043 -9.800 3.223 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.427 -8.978 4.722 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.074 -10.759 1.795 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.315 -11.011 1.893 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.427 -12.237 2.545 1.00 0.00 H new ATOM 775 N VAL A 52 -7.311 -8.224 0.165 1.00 0.00 N ATOM 776 CA VAL A 52 -8.247 -7.860 -0.885 1.00 0.00 C ATOM 777 C VAL A 52 -9.661 -8.262 -0.462 1.00 0.00 C ATOM 778 O VAL A 52 -9.836 -9.155 0.365 1.00 0.00 O ATOM 779 CB VAL A 52 -7.817 -8.491 -2.211 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.669 -7.968 -3.368 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.328 -8.253 -2.474 1.00 0.00 C ATOM 0 H VAL A 52 -7.453 -9.154 0.558 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.248 -6.781 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.976 -9.567 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.343 -8.432 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.716 -8.212 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.556 -6.886 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.048 -8.712 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.133 -7.181 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.741 -8.696 -1.670 1.00 0.00 H new ATOM 791 N LYS A 53 -10.635 -7.584 -1.051 1.00 0.00 N ATOM 792 CA LYS A 53 -12.029 -7.859 -0.746 1.00 0.00 C ATOM 793 C LYS A 53 -12.191 -9.344 -0.418 1.00 0.00 C ATOM 794 O LYS A 53 -12.857 -9.700 0.553 1.00 0.00 O ATOM 795 CB LYS A 53 -12.932 -7.378 -1.884 1.00 0.00 C ATOM 796 CG LYS A 53 -12.870 -5.856 -2.027 1.00 0.00 C ATOM 797 CD LYS A 53 -13.902 -5.178 -1.123 1.00 0.00 C ATOM 798 CE LYS A 53 -15.051 -4.592 -1.945 1.00 0.00 C ATOM 799 NZ LYS A 53 -16.188 -4.236 -1.067 1.00 0.00 N ATOM 0 H LYS A 53 -10.486 -6.845 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.343 -7.301 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.626 -7.847 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.960 -7.687 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.871 -5.504 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.051 -5.577 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.294 -5.901 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.422 -4.387 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.708 -3.708 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.375 -5.314 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.959 -3.840 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.526 -5.087 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.879 -3.531 -0.368 1.00 0.00 H new ATOM 813 N GLY A 54 -11.572 -10.172 -1.248 1.00 0.00 N ATOM 814 CA GLY A 54 -11.640 -11.611 -1.058 1.00 0.00 C ATOM 815 C GLY A 54 -10.403 -12.299 -1.640 1.00 0.00 C ATOM 816 O GLY A 54 -10.519 -13.307 -2.336 1.00 0.00 O ATOM 0 H GLY A 54 -11.021 -9.873 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.721 -11.838 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.538 -12.003 -1.536 1.00 0.00 H new ATOM 820 N GLY A 55 -9.248 -11.727 -1.334 1.00 0.00 N ATOM 821 CA GLY A 55 -7.991 -12.273 -1.818 1.00 0.00 C ATOM 822 C GLY A 55 -6.804 -11.465 -1.290 1.00 0.00 C ATOM 823 O GLY A 55 -6.965 -10.619 -0.413 1.00 0.00 O ATOM 0 H GLY A 55 -9.156 -10.891 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.897 -13.312 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.983 -12.268 -2.908 1.00 0.00 H new ATOM 827 N THR A 56 -5.637 -11.756 -1.847 1.00 0.00 N ATOM 828 CA THR A 56 -4.423 -11.068 -1.444 1.00 0.00 C ATOM 829 C THR A 56 -3.712 -10.480 -2.664 1.00 0.00 C ATOM 830 O THR A 56 -3.663 -11.109 -3.721 1.00 0.00 O ATOM 831 CB THR A 56 -3.560 -12.055 -0.655 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.426 -12.527 0.374 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.424 -11.364 0.102 1.00 0.00 C ATOM 0 H THR A 56 -5.507 -12.459 -2.574 1.00 0.00 H new ATOM 0 HA THR A 56 -4.646 -10.219 -0.797 1.00 0.00 H new ATOM 0 HB THR A 56 -3.144 -12.798 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.947 -13.174 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.843 -12.109 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.778 -10.845 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.841 -10.645 0.807 1.00 0.00 H new ATOM 841 N LEU A 57 -3.178 -9.282 -2.479 1.00 0.00 N ATOM 842 CA LEU A 57 -2.472 -8.603 -3.552 1.00 0.00 C ATOM 843 C LEU A 57 -1.212 -9.394 -3.908 1.00 0.00 C ATOM 844 O LEU A 57 -0.300 -9.516 -3.092 1.00 0.00 O ATOM 845 CB LEU A 57 -2.198 -7.146 -3.174 1.00 0.00 C ATOM 846 CG LEU A 57 -2.692 -6.091 -4.167 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.997 -4.749 -3.932 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.529 -6.576 -5.609 1.00 0.00 C ATOM 0 H LEU A 57 -3.220 -8.764 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.089 -8.565 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.659 -6.950 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.123 -7.021 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.758 -5.936 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.366 -4.017 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.208 -4.402 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.921 -4.870 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.888 -5.808 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.476 -6.777 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.107 -7.489 -5.753 1.00 0.00 H new ATOM 860 N LYS A 58 -1.201 -9.910 -5.128 1.00 0.00 N ATOM 861 CA LYS A 58 -0.068 -10.686 -5.602 1.00 0.00 C ATOM 862 C LYS A 58 1.155 -9.773 -5.723 1.00 0.00 C ATOM 863 O LYS A 58 1.115 -8.618 -5.305 1.00 0.00 O ATOM 864 CB LYS A 58 -0.422 -11.414 -6.900 1.00 0.00 C ATOM 865 CG LYS A 58 -1.172 -12.716 -6.611 1.00 0.00 C ATOM 866 CD LYS A 58 -1.268 -13.585 -7.867 1.00 0.00 C ATOM 867 CE LYS A 58 -2.592 -14.350 -7.906 1.00 0.00 C ATOM 868 NZ LYS A 58 -2.891 -14.800 -9.284 1.00 0.00 N ATOM 0 H LYS A 58 -1.959 -9.806 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 58 0.185 -11.467 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.036 -10.768 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.488 -11.631 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.660 -13.267 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.173 -12.489 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.180 -12.958 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.436 -14.289 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.541 -15.211 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.398 -13.712 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.793 -15.317 -9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.960 -13.974 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.130 -15.425 -9.618 1.00 0.00 H new ATOM 882 N ASP A 59 2.212 -10.327 -6.298 1.00 0.00 N ATOM 883 CA ASP A 59 3.443 -9.578 -6.480 1.00 0.00 C ATOM 884 C ASP A 59 3.855 -9.630 -7.952 1.00 0.00 C ATOM 885 O ASP A 59 4.215 -8.609 -8.536 1.00 0.00 O ATOM 886 CB ASP A 59 4.580 -10.177 -5.650 1.00 0.00 C ATOM 887 CG ASP A 59 4.696 -11.701 -5.717 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.645 -12.358 -5.558 1.00 0.00 O ATOM 889 OD2 ASP A 59 5.834 -12.175 -5.926 1.00 0.00 O ATOM 0 H ASP A 59 2.241 -11.286 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 59 3.263 -8.552 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.522 -9.741 -5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.444 -9.883 -4.609 1.00 0.00 H new ATOM 894 N ASP A 60 3.788 -10.830 -8.511 1.00 0.00 N ATOM 895 CA ASP A 60 4.149 -11.028 -9.904 1.00 0.00 C ATOM 896 C ASP A 60 3.209 -10.210 -10.791 1.00 0.00 C ATOM 897 O ASP A 60 3.657 -9.356 -11.556 1.00 0.00 O ATOM 898 CB ASP A 60 4.014 -12.499 -10.303 1.00 0.00 C ATOM 899 CG ASP A 60 5.314 -13.304 -10.253 1.00 0.00 C ATOM 900 OD1 ASP A 60 6.210 -12.987 -11.065 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.383 -14.218 -9.403 1.00 0.00 O ATOM 0 H ASP A 60 3.489 -11.675 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 60 5.184 -10.712 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.285 -12.973 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.611 -12.550 -11.315 1.00 0.00 H new ATOM 906 N ASP A 61 1.922 -10.498 -10.661 1.00 0.00 N ATOM 907 CA ASP A 61 0.916 -9.800 -11.441 1.00 0.00 C ATOM 908 C ASP A 61 -0.437 -9.907 -10.734 1.00 0.00 C ATOM 909 O ASP A 61 -0.644 -10.801 -9.916 1.00 0.00 O ATOM 910 CB ASP A 61 0.771 -10.417 -12.834 1.00 0.00 C ATOM 911 CG ASP A 61 2.054 -10.439 -13.667 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.534 -9.333 -13.999 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.525 -11.560 -13.955 1.00 0.00 O ATOM 0 H ASP A 61 1.553 -11.206 -10.026 1.00 0.00 H new ATOM 0 HA ASP A 61 1.228 -8.760 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.408 -11.439 -12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.009 -9.864 -13.383 1.00 0.00 H new ATOM 918 N TRP A 62 -1.323 -8.983 -11.076 1.00 0.00 N ATOM 919 CA TRP A 62 -2.649 -8.962 -10.484 1.00 0.00 C ATOM 920 C TRP A 62 -3.393 -10.216 -10.948 1.00 0.00 C ATOM 921 O TRP A 62 -3.745 -11.070 -10.136 1.00 0.00 O ATOM 922 CB TRP A 62 -3.385 -7.667 -10.833 1.00 0.00 C ATOM 923 CG TRP A 62 -2.708 -6.403 -10.298 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.604 -5.800 -10.761 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.138 -5.607 -9.174 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.293 -4.678 -10.020 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.255 -4.557 -9.024 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.236 -5.769 -8.311 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.379 -3.588 -8.022 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.347 -4.792 -7.315 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.466 -3.729 -7.151 1.00 0.00 C ATOM 0 H TRP A 62 -1.148 -8.243 -11.756 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.586 -8.976 -9.396 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.470 -7.590 -11.917 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.399 -7.719 -10.437 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.030 -6.148 -11.607 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.502 -4.052 -10.175 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.939 -6.583 -8.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.674 -2.775 -7.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.175 -4.869 -6.626 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.619 -3.015 -6.355 1.00 0.00 H new ATOM 942 N GLY A 63 -3.612 -10.286 -12.253 1.00 0.00 N ATOM 943 CA GLY A 63 -4.308 -11.421 -12.835 1.00 0.00 C ATOM 944 C GLY A 63 -5.680 -11.007 -13.371 1.00 0.00 C ATOM 945 O GLY A 63 -5.818 -10.683 -14.549 1.00 0.00 O ATOM 0 H GLY A 63 -3.320 -9.575 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.710 -11.843 -13.643 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.427 -12.203 -12.085 1.00 0.00 H new ATOM 949 N ASN A 64 -6.660 -11.032 -12.480 1.00 0.00 N ATOM 950 CA ASN A 64 -8.016 -10.663 -12.848 1.00 0.00 C ATOM 951 C ASN A 64 -8.784 -10.242 -11.593 1.00 0.00 C ATOM 952 O ASN A 64 -9.830 -10.810 -11.283 1.00 0.00 O ATOM 953 CB ASN A 64 -8.755 -11.843 -13.481 1.00 0.00 C ATOM 954 CG ASN A 64 -10.063 -11.386 -14.131 1.00 0.00 C ATOM 955 OD1 ASN A 64 -10.460 -10.236 -14.045 1.00 0.00 O ATOM 956 ND2 ASN A 64 -10.708 -12.349 -14.784 1.00 0.00 N ATOM 0 H ASN A 64 -6.542 -11.302 -11.504 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.960 -9.845 -13.567 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.119 -12.316 -14.229 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.966 -12.595 -12.721 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.591 -12.145 -15.252 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.319 -13.291 -14.817 1.00 0.00 H new ATOM 963 N ILE A 65 -8.235 -9.251 -10.907 1.00 0.00 N ATOM 964 CA ILE A 65 -8.856 -8.748 -9.693 1.00 0.00 C ATOM 965 C ILE A 65 -9.865 -7.657 -10.056 1.00 0.00 C ATOM 966 O ILE A 65 -9.595 -6.817 -10.912 1.00 0.00 O ATOM 967 CB ILE A 65 -7.789 -8.292 -8.695 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.891 -9.459 -8.281 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.427 -7.603 -7.487 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.813 -8.999 -7.297 1.00 0.00 C ATOM 0 H ILE A 65 -7.367 -8.783 -11.168 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.410 -9.541 -9.191 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.153 -7.556 -9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.495 -10.243 -7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.421 -9.892 -9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.647 -7.289 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.989 -6.731 -7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -9.100 -8.298 -6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.188 -9.848 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.196 -8.232 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.286 -8.589 -6.405 1.00 0.00 H new ATOM 982 N LYS A 66 -11.007 -7.706 -9.386 1.00 0.00 N ATOM 983 CA LYS A 66 -12.058 -6.732 -9.627 1.00 0.00 C ATOM 984 C LYS A 66 -11.760 -5.459 -8.833 1.00 0.00 C ATOM 985 O LYS A 66 -12.398 -5.195 -7.814 1.00 0.00 O ATOM 986 CB LYS A 66 -13.430 -7.339 -9.325 1.00 0.00 C ATOM 987 CG LYS A 66 -13.917 -8.202 -10.491 1.00 0.00 C ATOM 988 CD LYS A 66 -13.053 -9.456 -10.642 1.00 0.00 C ATOM 989 CE LYS A 66 -13.625 -10.390 -11.710 1.00 0.00 C ATOM 990 NZ LYS A 66 -12.575 -10.771 -12.682 1.00 0.00 N ATOM 0 H LYS A 66 -11.227 -8.405 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.084 -6.452 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.373 -7.943 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.149 -6.543 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.956 -8.489 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.888 -7.623 -11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.036 -9.171 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.996 -9.980 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.034 -11.284 -11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.448 -9.898 -12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.006 -10.928 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.871 -10.008 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.109 -11.645 -12.365 1.00 0.00 H new ATOM 1004 N MET A 67 -10.792 -4.703 -9.329 1.00 0.00 N ATOM 1005 CA MET A 67 -10.401 -3.464 -8.678 1.00 0.00 C ATOM 1006 C MET A 67 -11.466 -2.383 -8.875 1.00 0.00 C ATOM 1007 O MET A 67 -12.155 -2.363 -9.893 1.00 0.00 O ATOM 1008 CB MET A 67 -9.070 -2.981 -9.255 1.00 0.00 C ATOM 1009 CG MET A 67 -7.936 -3.946 -8.900 1.00 0.00 C ATOM 1010 SD MET A 67 -6.580 -3.049 -8.164 1.00 0.00 S ATOM 1011 CE MET A 67 -7.101 -3.047 -6.456 1.00 0.00 C ATOM 0 H MET A 67 -10.266 -4.925 -10.175 1.00 0.00 H new ATOM 0 HA MET A 67 -10.295 -3.654 -7.610 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.150 -2.891 -10.338 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.841 -1.988 -8.869 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.298 -4.707 -8.208 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.596 -4.466 -9.796 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.345 -2.554 -5.845 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.047 -2.512 -6.365 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.230 -4.074 -6.114 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.566 -1.509 -7.884 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.535 -0.427 -7.935 1.00 0.00 C ATOM 1023 C LYS A 68 -11.969 0.793 -7.205 1.00 0.00 C ATOM 1024 O LYS A 68 -11.146 0.654 -6.302 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.888 -0.894 -7.396 1.00 0.00 C ATOM 1026 CG LYS A 68 -13.761 -1.397 -5.956 1.00 0.00 C ATOM 1027 CD LYS A 68 -14.478 -2.737 -5.779 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.483 -2.673 -4.627 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.708 -1.957 -5.047 1.00 0.00 N ATOM 0 H LYS A 68 -10.992 -1.528 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.716 -0.126 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.603 -0.072 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.281 -1.689 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.708 -1.507 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.183 -0.661 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.994 -3.002 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.747 -3.522 -5.585 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.738 -3.682 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.034 -2.167 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.379 -1.923 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.462 -0.988 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.144 -2.456 -5.848 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.434 1.961 -7.624 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.984 3.204 -7.021 1.00 0.00 C ATOM 1045 C ASN A 69 -12.936 3.588 -5.886 1.00 0.00 C ATOM 1046 O ASN A 69 -14.080 3.968 -6.132 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.984 4.343 -8.043 1.00 0.00 C ATOM 1048 CG ASN A 69 -11.773 3.807 -9.461 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -12.471 2.922 -9.928 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -10.775 4.392 -10.117 1.00 0.00 N ATOM 0 H ASN A 69 -13.117 2.073 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.970 3.052 -6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.930 4.883 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.196 5.056 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.554 4.106 -11.071 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.230 5.127 -9.666 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.427 3.477 -4.668 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.217 3.808 -3.494 1.00 0.00 C ATOM 1059 C GLY A 70 -13.013 2.773 -2.386 1.00 0.00 C ATOM 1060 O GLY A 70 -13.069 3.106 -1.203 1.00 0.00 O ATOM 0 H GLY A 70 -11.477 3.163 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.937 4.796 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.272 3.855 -3.763 1.00 0.00 H new ATOM 1064 N MET A 71 -12.779 1.539 -2.808 1.00 0.00 N ATOM 1065 CA MET A 71 -12.566 0.454 -1.866 1.00 0.00 C ATOM 1066 C MET A 71 -11.504 0.827 -0.830 1.00 0.00 C ATOM 1067 O MET A 71 -10.985 1.942 -0.843 1.00 0.00 O ATOM 1068 CB MET A 71 -12.122 -0.800 -2.623 1.00 0.00 C ATOM 1069 CG MET A 71 -10.712 -0.626 -3.192 1.00 0.00 C ATOM 1070 SD MET A 71 -9.677 -1.989 -2.684 1.00 0.00 S ATOM 1071 CE MET A 71 -10.577 -3.349 -3.410 1.00 0.00 C ATOM 0 H MET A 71 -12.732 1.267 -3.790 1.00 0.00 H new ATOM 0 HA MET A 71 -13.504 0.262 -1.344 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.145 -1.660 -1.954 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.822 -1.007 -3.433 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.754 -0.576 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.285 0.315 -2.846 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.928 -4.223 -3.472 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.443 -3.583 -2.791 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.910 -3.072 -4.410 1.00 0.00 H new ATOM 1081 N THR A 72 -11.213 -0.126 0.043 1.00 0.00 N ATOM 1082 CA THR A 72 -10.222 0.089 1.084 1.00 0.00 C ATOM 1083 C THR A 72 -9.186 -1.036 1.074 1.00 0.00 C ATOM 1084 O THR A 72 -9.530 -2.200 0.876 1.00 0.00 O ATOM 1085 CB THR A 72 -10.960 0.224 2.417 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.177 1.626 2.553 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.076 -0.133 3.614 1.00 0.00 C ATOM 0 H THR A 72 -11.646 -1.049 0.051 1.00 0.00 H new ATOM 0 HA THR A 72 -9.660 1.007 0.912 1.00 0.00 H new ATOM 0 HB THR A 72 -11.841 -0.418 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.653 1.804 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.648 -0.021 4.535 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.737 -1.165 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.212 0.532 3.640 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.937 -0.649 1.291 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.848 -1.611 1.310 1.00 0.00 C ATOM 1097 C VAL A 73 -6.326 -1.756 2.741 1.00 0.00 C ATOM 1098 O VAL A 73 -6.043 -0.760 3.406 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.762 -1.191 0.317 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.499 -2.035 0.498 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.275 -1.272 -1.122 1.00 0.00 C ATOM 0 H VAL A 73 -7.655 0.317 1.455 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.199 -2.592 0.991 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.503 -0.152 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.743 -1.717 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.116 -1.905 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.737 -3.086 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.484 -0.968 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.575 -2.296 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.132 -0.609 -1.241 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.215 -3.003 3.173 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.732 -3.291 4.513 1.00 0.00 C ATOM 1113 C LEU A 74 -4.246 -3.649 4.449 1.00 0.00 C ATOM 1114 O LEU A 74 -3.851 -4.542 3.700 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.596 -4.367 5.174 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.588 -4.387 6.704 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.235 -4.862 7.238 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -6.982 -3.023 7.272 1.00 0.00 C ATOM 0 H LEU A 74 -6.451 -3.826 2.619 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.821 -2.409 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.624 -4.237 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.265 -5.342 4.816 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.337 -5.104 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.255 -4.867 8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.034 -5.870 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.451 -4.188 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.968 -3.065 8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.275 -2.268 6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.984 -2.763 6.931 1.00 0.00 H new ATOM 1130 N MET A 75 -3.463 -2.935 5.243 1.00 0.00 N ATOM 1131 CA MET A 75 -2.029 -3.166 5.286 1.00 0.00 C ATOM 1132 C MET A 75 -1.588 -3.618 6.680 1.00 0.00 C ATOM 1133 O MET A 75 -1.858 -2.940 7.671 1.00 0.00 O ATOM 1134 CB MET A 75 -1.293 -1.879 4.910 1.00 0.00 C ATOM 1135 CG MET A 75 -0.015 -2.187 4.127 1.00 0.00 C ATOM 1136 SD MET A 75 1.011 -0.730 4.035 1.00 0.00 S ATOM 1137 CE MET A 75 2.039 -0.983 5.472 1.00 0.00 C ATOM 0 H MET A 75 -3.794 -2.195 5.862 1.00 0.00 H new ATOM 0 HA MET A 75 -1.786 -3.955 4.575 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.946 -1.244 4.312 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.045 -1.321 5.813 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.531 -2.997 4.611 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.267 -2.528 3.123 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.936 -0.134 6.147 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.730 -1.894 5.985 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.080 -1.076 5.163 1.00 0.00 H new ATOM 1147 N MET A 76 -0.918 -4.760 6.712 1.00 0.00 N ATOM 1148 CA MET A 76 -0.437 -5.311 7.968 1.00 0.00 C ATOM 1149 C MET A 76 1.048 -5.669 7.877 1.00 0.00 C ATOM 1150 O MET A 76 1.439 -6.511 7.071 1.00 0.00 O ATOM 1151 CB MET A 76 -1.243 -6.563 8.319 1.00 0.00 C ATOM 1152 CG MET A 76 -2.635 -6.192 8.835 1.00 0.00 C ATOM 1153 SD MET A 76 -2.803 -6.680 10.543 1.00 0.00 S ATOM 1154 CE MET A 76 -3.231 -5.109 11.274 1.00 0.00 C ATOM 0 H MET A 76 -0.697 -5.319 5.888 1.00 0.00 H new ATOM 0 HA MET A 76 -0.563 -4.557 8.745 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.335 -7.199 7.439 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.713 -7.141 9.076 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.793 -5.118 8.738 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.398 -6.683 8.231 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.373 -5.234 12.347 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.428 -4.394 11.095 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.153 -4.739 10.827 1.00 0.00 H new ATOM 1164 N GLY A 77 1.835 -5.010 8.715 1.00 0.00 N ATOM 1165 CA GLY A 77 3.268 -5.248 8.739 1.00 0.00 C ATOM 1166 C GLY A 77 3.950 -4.383 9.802 1.00 0.00 C ATOM 1167 O GLY A 77 3.297 -3.578 10.464 1.00 0.00 O ATOM 0 H GLY A 77 1.507 -4.312 9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.462 -6.301 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.693 -5.029 7.759 1.00 0.00 H new ATOM 1171 N SER A 78 5.253 -4.580 9.932 1.00 0.00 N ATOM 1172 CA SER A 78 6.030 -3.828 10.903 1.00 0.00 C ATOM 1173 C SER A 78 7.430 -3.550 10.351 1.00 0.00 C ATOM 1174 O SER A 78 8.148 -4.476 9.976 1.00 0.00 O ATOM 1175 CB SER A 78 6.124 -4.578 12.233 1.00 0.00 C ATOM 1176 OG SER A 78 4.893 -4.547 12.950 1.00 0.00 O ATOM 0 H SER A 78 5.791 -5.249 9.381 1.00 0.00 H new ATOM 0 HA SER A 78 5.523 -2.880 11.086 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.409 -5.613 12.046 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.911 -4.136 12.844 1.00 0.00 H new ATOM 0 HG SER A 78 4.205 -4.117 12.400 1.00 0.00 H new ATOM 1182 N ALA A 79 7.776 -2.272 10.318 1.00 0.00 N ATOM 1183 CA ALA A 79 9.077 -1.861 9.818 1.00 0.00 C ATOM 1184 C ALA A 79 10.145 -2.179 10.866 1.00 0.00 C ATOM 1185 O ALA A 79 10.652 -1.280 11.534 1.00 0.00 O ATOM 1186 CB ALA A 79 9.039 -0.374 9.457 1.00 0.00 C ATOM 0 H ALA A 79 7.178 -1.507 10.630 1.00 0.00 H new ATOM 0 HA ALA A 79 9.331 -2.410 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.015 -0.066 9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.285 -0.205 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.790 0.209 10.343 1.00 0.00 H new