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 51 MET CE :methyl -104:sc= -0.197 (180deg=-2.8!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -70:sc= -1.01 USER MOD Set 2.2: A 48 GLN : amide:sc= -4.7! C(o=-14!,f=-23!) USER MOD Set 2.3: A 75 MET CE :methyl 142:sc= -7.79! (180deg=-10.2!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : 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= -0.34 X(o=-0.34,f=-0.17) USER MOD Single : A 26 THR OG1 : rot -114:sc= 0.595 USER MOD Single : A 31 MET CE :methyl -114:sc= -0.321 (180deg=-3.63!) USER MOD Single : A 34 LYS NZ :NH3+ -114:sc= 1.48 (180deg=0.598) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.217 F(o=-2.9,f=-0.22) USER MOD Single : A 44 GLN : amide:sc= -0.634! C(o=-0.63!,f=-7!) 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 64 ASN : amide:sc= -0.091 K(o=-0.091,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -162:sc= -2.68! (180deg=-3.33!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0762 F(o=-1.8!,f=-0.076) USER MOD Single : A 71 MET CE :methyl -162:sc= -0.216 (180deg=-1.21) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.653 3.696 -13.972 1.00 0.00 N ATOM 60 CA GLY A 7 -5.381 4.093 -12.601 1.00 0.00 C ATOM 61 C GLY A 7 -6.655 4.051 -11.755 1.00 0.00 C ATOM 62 O GLY A 7 -7.669 4.641 -12.124 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.631 3.430 -12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.963 5.100 -12.586 1.00 0.00 H new ATOM 66 N TYR A 8 -6.561 3.348 -10.636 1.00 0.00 N ATOM 67 CA TYR A 8 -7.693 3.221 -9.734 1.00 0.00 C ATOM 68 C TYR A 8 -7.455 4.004 -8.441 1.00 0.00 C ATOM 69 O TYR A 8 -6.313 4.291 -8.086 1.00 0.00 O ATOM 70 CB TYR A 8 -7.803 1.732 -9.401 1.00 0.00 C ATOM 71 CG TYR A 8 -8.374 0.881 -10.537 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.555 0.464 -11.567 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.709 0.531 -10.533 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.092 -0.336 -12.636 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.247 -0.270 -11.602 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.412 -0.664 -12.601 1.00 0.00 C ATOM 77 OH TYR A 8 -9.920 -1.420 -13.611 1.00 0.00 O ATOM 0 H TYR A 8 -5.718 2.860 -10.333 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.598 3.614 -10.198 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.814 1.355 -9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.433 1.613 -8.519 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.510 0.738 -11.571 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.350 0.858 -9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.462 -0.668 -13.447 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.290 -0.551 -11.610 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.874 -1.577 -13.454 1.00 0.00 H new ATOM 87 N SER A 9 -8.552 4.328 -7.772 1.00 0.00 N ATOM 88 CA SER A 9 -8.477 5.072 -6.527 1.00 0.00 C ATOM 89 C SER A 9 -8.883 4.175 -5.356 1.00 0.00 C ATOM 90 O SER A 9 -10.019 3.706 -5.294 1.00 0.00 O ATOM 91 CB SER A 9 -9.364 6.318 -6.574 1.00 0.00 C ATOM 92 OG SER A 9 -9.669 6.705 -7.911 1.00 0.00 O ATOM 0 H SER A 9 -9.498 4.089 -8.069 1.00 0.00 H new ATOM 0 HA SER A 9 -7.447 5.399 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.290 6.125 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.862 7.140 -6.064 1.00 0.00 H new ATOM 0 HG SER A 9 -10.238 7.503 -7.899 1.00 0.00 H new ATOM 98 N VAL A 10 -7.934 3.964 -4.456 1.00 0.00 N ATOM 99 CA VAL A 10 -8.179 3.131 -3.291 1.00 0.00 C ATOM 100 C VAL A 10 -7.794 3.903 -2.028 1.00 0.00 C ATOM 101 O VAL A 10 -7.439 5.079 -2.099 1.00 0.00 O ATOM 102 CB VAL A 10 -7.433 1.803 -3.430 1.00 0.00 C ATOM 103 CG1 VAL A 10 -7.806 1.098 -4.736 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.920 2.011 -3.333 1.00 0.00 C ATOM 0 H VAL A 10 -6.994 4.356 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.238 2.886 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.737 1.161 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.262 0.157 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.878 0.899 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.545 1.735 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.414 1.051 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.593 2.680 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.674 2.450 -2.366 1.00 0.00 H new ATOM 114 N THR A 11 -7.878 3.211 -0.901 1.00 0.00 N ATOM 115 CA THR A 11 -7.543 3.818 0.376 1.00 0.00 C ATOM 116 C THR A 11 -6.681 2.866 1.208 1.00 0.00 C ATOM 117 O THR A 11 -7.085 1.737 1.483 1.00 0.00 O ATOM 118 CB THR A 11 -8.849 4.217 1.067 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.222 5.434 0.428 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.639 4.613 2.530 1.00 0.00 C ATOM 0 H THR A 11 -8.173 2.236 -0.846 1.00 0.00 H new ATOM 0 HA THR A 11 -6.942 4.717 0.242 1.00 0.00 H new ATOM 0 HB THR A 11 -9.556 3.389 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.061 5.763 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.596 4.887 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.213 3.772 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.958 5.462 2.583 1.00 0.00 H new ATOM 128 N VAL A 12 -5.510 3.357 1.587 1.00 0.00 N ATOM 129 CA VAL A 12 -4.588 2.564 2.382 1.00 0.00 C ATOM 130 C VAL A 12 -4.873 2.796 3.867 1.00 0.00 C ATOM 131 O VAL A 12 -4.980 3.938 4.312 1.00 0.00 O ATOM 132 CB VAL A 12 -3.145 2.893 1.992 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.161 2.353 3.031 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.819 2.357 0.597 1.00 0.00 C ATOM 0 H VAL A 12 -5.179 4.294 1.358 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.730 1.501 2.185 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.043 3.978 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.143 2.600 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.372 2.803 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.266 1.270 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.788 2.604 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.946 1.275 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.490 2.810 -0.133 1.00 0.00 H new ATOM 144 N LYS A 13 -4.990 1.694 4.593 1.00 0.00 N ATOM 145 CA LYS A 13 -5.261 1.762 6.019 1.00 0.00 C ATOM 146 C LYS A 13 -4.160 1.019 6.779 1.00 0.00 C ATOM 147 O LYS A 13 -3.949 -0.174 6.565 1.00 0.00 O ATOM 148 CB LYS A 13 -6.670 1.250 6.322 1.00 0.00 C ATOM 149 CG LYS A 13 -7.483 2.298 7.084 1.00 0.00 C ATOM 150 CD LYS A 13 -8.304 1.651 8.201 1.00 0.00 C ATOM 151 CE LYS A 13 -9.531 0.933 7.634 1.00 0.00 C ATOM 152 NZ LYS A 13 -9.740 -0.360 8.323 1.00 0.00 N ATOM 0 H LYS A 13 -4.902 0.749 4.220 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.243 2.797 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.177 0.998 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.609 0.334 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.813 3.046 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.147 2.819 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.684 0.941 8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.621 2.413 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.414 1.561 7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.400 0.765 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.576 -0.834 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.904 -0.964 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.887 -0.192 9.339 1.00 0.00 H new ATOM 166 N TRP A 14 -3.487 1.755 7.652 1.00 0.00 N ATOM 167 CA TRP A 14 -2.414 1.181 8.445 1.00 0.00 C ATOM 168 C TRP A 14 -2.634 1.587 9.903 1.00 0.00 C ATOM 169 O TRP A 14 -2.235 2.676 10.315 1.00 0.00 O ATOM 170 CB TRP A 14 -1.046 1.606 7.906 1.00 0.00 C ATOM 171 CG TRP A 14 0.127 0.826 8.502 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.313 -0.501 8.518 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.278 1.384 9.172 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.494 -0.838 9.147 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.100 0.344 9.557 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.613 2.722 9.443 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.309 0.534 10.236 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.825 2.895 10.122 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.664 1.859 10.517 1.00 0.00 C ATOM 0 H TRP A 14 -3.665 2.744 7.827 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.427 0.093 8.381 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.039 1.482 6.823 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.902 2.668 8.106 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.375 -1.217 8.092 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.856 -1.781 9.286 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.985 3.551 9.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.935 -0.297 10.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.130 3.904 10.355 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.585 2.075 11.038 1.00 0.00 H new ATOM 190 N GLY A 15 -3.268 0.691 10.645 1.00 0.00 N ATOM 191 CA GLY A 15 -3.546 0.943 12.048 1.00 0.00 C ATOM 192 C GLY A 15 -3.886 2.416 12.285 1.00 0.00 C ATOM 193 O GLY A 15 -4.621 3.019 11.505 1.00 0.00 O ATOM 0 H GLY A 15 -3.597 -0.211 10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.376 0.317 12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.681 0.665 12.649 1.00 0.00 H new ATOM 197 N LYS A 16 -3.334 2.951 13.364 1.00 0.00 N ATOM 198 CA LYS A 16 -3.570 4.342 13.712 1.00 0.00 C ATOM 199 C LYS A 16 -3.420 5.210 12.461 1.00 0.00 C ATOM 200 O LYS A 16 -4.194 6.143 12.252 1.00 0.00 O ATOM 201 CB LYS A 16 -2.660 4.767 14.867 1.00 0.00 C ATOM 202 CG LYS A 16 -3.455 4.915 16.165 1.00 0.00 C ATOM 203 CD LYS A 16 -2.567 5.443 17.294 1.00 0.00 C ATOM 204 CE LYS A 16 -3.410 6.079 18.402 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.200 5.370 19.684 1.00 0.00 N ATOM 0 H LYS A 16 -2.725 2.447 14.008 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.590 4.476 14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.870 4.029 15.003 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.175 5.712 14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.292 5.595 16.008 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.877 3.951 16.450 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.973 4.627 17.706 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.867 6.178 16.897 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.143 7.130 18.513 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.465 6.045 18.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.779 5.814 20.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.477 4.373 19.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.196 5.424 19.950 1.00 0.00 H new ATOM 219 N GLU A 17 -2.421 4.870 11.660 1.00 0.00 N ATOM 220 CA GLU A 17 -2.160 5.606 10.435 1.00 0.00 C ATOM 221 C GLU A 17 -3.300 5.394 9.436 1.00 0.00 C ATOM 222 O GLU A 17 -3.785 4.276 9.271 1.00 0.00 O ATOM 223 CB GLU A 17 -0.816 5.201 9.827 1.00 0.00 C ATOM 224 CG GLU A 17 0.277 5.152 10.897 1.00 0.00 C ATOM 225 CD GLU A 17 1.539 5.877 10.425 1.00 0.00 C ATOM 226 OE1 GLU A 17 1.800 5.826 9.204 1.00 0.00 O ATOM 227 OE2 GLU A 17 2.215 6.465 11.297 1.00 0.00 O ATOM 0 H GLU A 17 -1.782 4.094 11.836 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.106 6.668 10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.908 4.225 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.536 5.911 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.088 5.611 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.515 4.115 11.131 1.00 0.00 H new ATOM 234 N LYS A 18 -3.693 6.485 8.795 1.00 0.00 N ATOM 235 CA LYS A 18 -4.766 6.432 7.817 1.00 0.00 C ATOM 236 C LYS A 18 -4.346 7.203 6.563 1.00 0.00 C ATOM 237 O LYS A 18 -3.800 8.301 6.659 1.00 0.00 O ATOM 238 CB LYS A 18 -6.077 6.927 8.432 1.00 0.00 C ATOM 239 CG LYS A 18 -7.159 7.085 7.362 1.00 0.00 C ATOM 240 CD LYS A 18 -8.517 6.606 7.881 1.00 0.00 C ATOM 241 CE LYS A 18 -8.991 7.467 9.053 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.140 6.829 9.733 1.00 0.00 N ATOM 0 H LYS A 18 -3.288 7.411 8.934 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.952 5.402 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.414 6.224 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.911 7.882 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.229 8.130 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.884 6.516 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.252 6.644 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.443 5.565 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.175 7.609 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.277 8.456 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.449 7.426 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.923 6.716 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.856 5.896 10.093 1.00 0.00 H new ATOM 256 N PHE A 19 -4.617 6.597 5.417 1.00 0.00 N ATOM 257 CA PHE A 19 -4.274 7.212 4.146 1.00 0.00 C ATOM 258 C PHE A 19 -5.470 7.205 3.192 1.00 0.00 C ATOM 259 O PHE A 19 -5.898 6.146 2.735 1.00 0.00 O ATOM 260 CB PHE A 19 -3.145 6.378 3.535 1.00 0.00 C ATOM 261 CG PHE A 19 -1.920 6.233 4.440 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.971 7.207 4.462 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.779 5.129 5.222 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.166 7.072 5.301 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.641 4.993 6.061 1.00 0.00 C ATOM 266 CZ PHE A 19 0.307 5.968 6.083 1.00 0.00 C ATOM 0 H PHE A 19 -5.070 5.686 5.342 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.975 8.248 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.528 5.386 3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.837 6.835 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.083 8.083 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.533 4.356 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.919 7.846 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.529 4.116 6.681 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.172 5.866 6.722 1.00 0.00 H new ATOM 276 N GLU A 20 -5.976 8.399 2.920 1.00 0.00 N ATOM 277 CA GLU A 20 -7.115 8.543 2.030 1.00 0.00 C ATOM 278 C GLU A 20 -6.727 9.369 0.801 1.00 0.00 C ATOM 279 O GLU A 20 -6.248 10.495 0.932 1.00 0.00 O ATOM 280 CB GLU A 20 -8.305 9.171 2.758 1.00 0.00 C ATOM 281 CG GLU A 20 -8.675 8.362 4.003 1.00 0.00 C ATOM 282 CD GLU A 20 -10.117 8.641 4.430 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.949 8.847 3.520 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.356 8.644 5.657 1.00 0.00 O ATOM 0 H GLU A 20 -5.618 9.275 3.300 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.418 7.550 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.062 10.194 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.161 9.223 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.552 7.298 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.996 8.612 4.818 1.00 0.00 H new ATOM 291 N GLY A 21 -6.947 8.777 -0.364 1.00 0.00 N ATOM 292 CA GLY A 21 -6.626 9.444 -1.614 1.00 0.00 C ATOM 293 C GLY A 21 -5.261 8.996 -2.140 1.00 0.00 C ATOM 294 O GLY A 21 -4.357 9.813 -2.308 1.00 0.00 O ATOM 0 H GLY A 21 -7.344 7.843 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.395 9.225 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.626 10.524 -1.464 1.00 0.00 H new ATOM 298 N VAL A 22 -5.154 7.698 -2.385 1.00 0.00 N ATOM 299 CA VAL A 22 -3.914 7.131 -2.888 1.00 0.00 C ATOM 300 C VAL A 22 -4.082 6.783 -4.368 1.00 0.00 C ATOM 301 O VAL A 22 -5.170 6.409 -4.802 1.00 0.00 O ATOM 302 CB VAL A 22 -3.503 5.930 -2.034 1.00 0.00 C ATOM 303 CG1 VAL A 22 -2.205 5.308 -2.551 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.374 6.324 -0.561 1.00 0.00 C ATOM 0 H VAL A 22 -5.906 7.023 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.104 7.857 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.288 5.178 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.935 4.457 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.346 4.974 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.407 6.050 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.081 5.453 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.618 7.102 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.332 6.699 -0.199 1.00 0.00 H new ATOM 314 N GLU A 23 -2.987 6.918 -5.103 1.00 0.00 N ATOM 315 CA GLU A 23 -3.000 6.622 -6.525 1.00 0.00 C ATOM 316 C GLU A 23 -2.488 5.202 -6.776 1.00 0.00 C ATOM 317 O GLU A 23 -1.361 4.870 -6.410 1.00 0.00 O ATOM 318 CB GLU A 23 -2.175 7.647 -7.306 1.00 0.00 C ATOM 319 CG GLU A 23 -2.754 9.054 -7.143 1.00 0.00 C ATOM 320 CD GLU A 23 -2.532 9.578 -5.723 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.376 9.949 -5.429 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.525 9.594 -4.963 1.00 0.00 O ATOM 0 H GLU A 23 -2.086 7.228 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.029 6.685 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.143 7.632 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.157 7.377 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.287 9.729 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.821 9.040 -7.367 1.00 0.00 H new ATOM 329 N LEU A 24 -3.341 4.401 -7.399 1.00 0.00 N ATOM 330 CA LEU A 24 -2.989 3.025 -7.703 1.00 0.00 C ATOM 331 C LEU A 24 -3.177 2.773 -9.200 1.00 0.00 C ATOM 332 O LEU A 24 -4.059 3.360 -9.826 1.00 0.00 O ATOM 333 CB LEU A 24 -3.778 2.061 -6.814 1.00 0.00 C ATOM 334 CG LEU A 24 -4.016 0.662 -7.387 1.00 0.00 C ATOM 335 CD1 LEU A 24 -2.997 -0.337 -6.835 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.456 0.207 -7.141 1.00 0.00 C ATOM 0 H LEU A 24 -4.275 4.679 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.938 2.843 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.251 1.959 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.746 2.511 -6.594 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.872 0.706 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.188 -1.323 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.991 -0.016 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.085 -0.384 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.599 -0.790 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.652 0.184 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.144 0.903 -7.621 1.00 0.00 H new ATOM 348 N ASN A 25 -2.334 1.901 -9.732 1.00 0.00 N ATOM 349 CA ASN A 25 -2.397 1.565 -11.144 1.00 0.00 C ATOM 350 C ASN A 25 -2.390 0.043 -11.303 1.00 0.00 C ATOM 351 O ASN A 25 -1.780 -0.665 -10.504 1.00 0.00 O ATOM 352 CB ASN A 25 -1.188 2.124 -11.898 1.00 0.00 C ATOM 353 CG ASN A 25 0.068 2.084 -11.025 1.00 0.00 C ATOM 354 OD1 ASN A 25 0.645 3.100 -10.676 1.00 0.00 O ATOM 355 ND2 ASN A 25 0.458 0.856 -10.694 1.00 0.00 N ATOM 0 H ASN A 25 -1.603 1.417 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.310 1.999 -11.553 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.022 1.546 -12.807 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.389 3.150 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.286 0.723 -10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.071 0.047 -11.020 1.00 0.00 H new ATOM 362 N THR A 26 -3.077 -0.415 -12.340 1.00 0.00 N ATOM 363 CA THR A 26 -3.158 -1.840 -12.613 1.00 0.00 C ATOM 364 C THR A 26 -2.291 -2.201 -13.821 1.00 0.00 C ATOM 365 O THR A 26 -1.733 -3.295 -13.884 1.00 0.00 O ATOM 366 CB THR A 26 -4.633 -2.203 -12.794 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.174 -1.106 -13.524 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.405 -2.189 -11.473 1.00 0.00 C ATOM 0 H THR A 26 -3.582 0.175 -13.001 1.00 0.00 H new ATOM 0 HA THR A 26 -2.764 -2.425 -11.782 1.00 0.00 H new ATOM 0 HB THR A 26 -4.711 -3.190 -13.250 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.817 -0.625 -12.962 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.446 -2.453 -11.657 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.963 -2.911 -10.786 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.356 -1.193 -11.033 1.00 0.00 H new ATOM 376 N ASP A 27 -2.205 -1.260 -14.750 1.00 0.00 N ATOM 377 CA ASP A 27 -1.416 -1.465 -15.953 1.00 0.00 C ATOM 378 C ASP A 27 -0.078 -2.107 -15.577 1.00 0.00 C ATOM 379 O ASP A 27 0.496 -2.859 -16.362 1.00 0.00 O ATOM 380 CB ASP A 27 -1.123 -0.137 -16.653 1.00 0.00 C ATOM 381 CG ASP A 27 -1.298 1.107 -15.779 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.433 1.308 -14.899 1.00 0.00 O ATOM 383 OD2 ASP A 27 -2.292 1.828 -16.011 1.00 0.00 O ATOM 0 H ASP A 27 -2.669 -0.353 -14.694 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.986 -2.108 -16.624 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.099 -0.159 -17.027 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.777 -0.048 -17.520 1.00 0.00 H new ATOM 388 N GLU A 28 0.378 -1.785 -14.375 1.00 0.00 N ATOM 389 CA GLU A 28 1.637 -2.320 -13.885 1.00 0.00 C ATOM 390 C GLU A 28 1.381 -3.448 -12.884 1.00 0.00 C ATOM 391 O GLU A 28 0.231 -3.794 -12.613 1.00 0.00 O ATOM 392 CB GLU A 28 2.496 -1.218 -13.262 1.00 0.00 C ATOM 393 CG GLU A 28 1.988 0.168 -13.665 1.00 0.00 C ATOM 394 CD GLU A 28 1.969 0.323 -15.187 1.00 0.00 C ATOM 395 OE1 GLU A 28 2.090 -0.720 -15.866 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.836 1.481 -15.638 1.00 0.00 O ATOM 0 H GLU A 28 -0.102 -1.161 -13.726 1.00 0.00 H new ATOM 0 HA GLU A 28 2.189 -2.730 -14.731 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.483 -1.312 -12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.532 -1.336 -13.580 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.985 0.321 -13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.626 0.935 -13.226 1.00 0.00 H new ATOM 403 N PRO A 29 2.499 -4.005 -12.346 1.00 0.00 N ATOM 404 CA PRO A 29 2.406 -5.087 -11.380 1.00 0.00 C ATOM 405 C PRO A 29 1.967 -4.563 -10.011 1.00 0.00 C ATOM 406 O PRO A 29 1.956 -3.355 -9.779 1.00 0.00 O ATOM 407 CB PRO A 29 3.790 -5.715 -11.360 1.00 0.00 C ATOM 408 CG PRO A 29 4.727 -4.681 -11.962 1.00 0.00 C ATOM 409 CD PRO A 29 3.876 -3.621 -12.643 1.00 0.00 C ATOM 0 HA PRO A 29 1.651 -5.827 -11.647 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.089 -5.968 -10.343 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.807 -6.640 -11.936 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.348 -4.232 -11.187 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.401 -5.149 -12.680 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.101 -2.626 -12.260 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.058 -3.597 -13.717 1.00 0.00 H new ATOM 417 N PRO A 30 1.607 -5.523 -9.118 1.00 0.00 N ATOM 418 CA PRO A 30 1.168 -5.171 -7.778 1.00 0.00 C ATOM 419 C PRO A 30 2.354 -4.754 -6.905 1.00 0.00 C ATOM 420 O PRO A 30 2.168 -4.175 -5.835 1.00 0.00 O ATOM 421 CB PRO A 30 0.456 -6.409 -7.259 1.00 0.00 C ATOM 422 CG PRO A 30 0.923 -7.558 -8.138 1.00 0.00 C ATOM 423 CD PRO A 30 1.608 -6.963 -9.358 1.00 0.00 C ATOM 0 HA PRO A 30 0.500 -4.310 -7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.703 -6.592 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.626 -6.289 -7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.611 -8.202 -7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.077 -8.177 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.623 -7.345 -9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.072 -7.212 -10.274 1.00 0.00 H new ATOM 431 N MET A 31 3.545 -5.064 -7.393 1.00 0.00 N ATOM 432 CA MET A 31 4.761 -4.729 -6.671 1.00 0.00 C ATOM 433 C MET A 31 4.894 -3.215 -6.495 1.00 0.00 C ATOM 434 O MET A 31 5.448 -2.748 -5.501 1.00 0.00 O ATOM 435 CB MET A 31 5.973 -5.264 -7.435 1.00 0.00 C ATOM 436 CG MET A 31 5.739 -6.704 -7.897 1.00 0.00 C ATOM 437 SD MET A 31 7.297 -7.565 -8.023 1.00 0.00 S ATOM 438 CE MET A 31 7.450 -8.176 -6.353 1.00 0.00 C ATOM 0 H MET A 31 3.695 -5.544 -8.280 1.00 0.00 H new ATOM 0 HA MET A 31 4.713 -5.188 -5.683 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.172 -4.629 -8.298 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.856 -5.222 -6.798 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.085 -7.219 -7.193 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.233 -6.707 -8.862 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.299 -7.696 -5.866 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.539 -7.952 -5.799 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.606 -9.255 -6.373 1.00 0.00 H new ATOM 448 N VAL A 32 4.378 -2.490 -7.477 1.00 0.00 N ATOM 449 CA VAL A 32 4.432 -1.039 -7.443 1.00 0.00 C ATOM 450 C VAL A 32 3.600 -0.528 -6.265 1.00 0.00 C ATOM 451 O VAL A 32 4.129 0.117 -5.361 1.00 0.00 O ATOM 452 CB VAL A 32 3.978 -0.467 -8.788 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.961 1.063 -8.756 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.859 -0.982 -9.928 1.00 0.00 C ATOM 0 H VAL A 32 3.921 -2.881 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 32 5.456 -0.699 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 32 2.959 -0.809 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.635 1.444 -9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.273 1.403 -7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.963 1.434 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.515 -0.561 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.893 -0.684 -9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.798 -2.069 -9.972 1.00 0.00 H new ATOM 464 N PHE A 33 2.313 -0.836 -6.314 1.00 0.00 N ATOM 465 CA PHE A 33 1.403 -0.417 -5.262 1.00 0.00 C ATOM 466 C PHE A 33 1.985 -0.720 -3.880 1.00 0.00 C ATOM 467 O PHE A 33 1.783 0.043 -2.936 1.00 0.00 O ATOM 468 CB PHE A 33 0.110 -1.215 -5.444 1.00 0.00 C ATOM 469 CG PHE A 33 -0.993 -0.848 -4.449 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.569 0.383 -4.495 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.398 -1.754 -3.518 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.593 0.723 -3.572 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.422 -1.413 -2.595 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.997 -0.182 -2.641 1.00 0.00 C ATOM 0 H PHE A 33 1.878 -1.371 -7.066 1.00 0.00 H new ATOM 0 HA PHE A 33 1.230 0.657 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.262 -1.059 -6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.334 -2.277 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.248 1.102 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.941 -2.732 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.051 1.700 -3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.744 -2.132 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.775 0.077 -1.938 1.00 0.00 H new ATOM 484 N LYS A 34 2.697 -1.835 -3.804 1.00 0.00 N ATOM 485 CA LYS A 34 3.310 -2.248 -2.554 1.00 0.00 C ATOM 486 C LYS A 34 4.557 -1.400 -2.297 1.00 0.00 C ATOM 487 O LYS A 34 4.917 -1.151 -1.148 1.00 0.00 O ATOM 488 CB LYS A 34 3.581 -3.754 -2.562 1.00 0.00 C ATOM 489 CG LYS A 34 2.283 -4.546 -2.391 1.00 0.00 C ATOM 490 CD LYS A 34 2.557 -6.051 -2.379 1.00 0.00 C ATOM 491 CE LYS A 34 1.466 -6.813 -3.134 1.00 0.00 C ATOM 492 NZ LYS A 34 1.736 -8.268 -3.107 1.00 0.00 N ATOM 0 H LYS A 34 2.863 -2.465 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 34 2.629 -2.074 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.062 -4.035 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.274 -4.007 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.794 -4.254 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.596 -4.304 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.527 -6.251 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.608 -6.407 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.494 -6.609 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.419 -6.465 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.941 -8.601 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.554 -8.458 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.903 -8.769 -2.738 1.00 0.00 H new ATOM 506 N ALA A 35 5.182 -0.980 -3.387 1.00 0.00 N ATOM 507 CA ALA A 35 6.382 -0.165 -3.295 1.00 0.00 C ATOM 508 C ALA A 35 6.014 1.215 -2.747 1.00 0.00 C ATOM 509 O ALA A 35 6.767 1.799 -1.968 1.00 0.00 O ATOM 510 CB ALA A 35 7.053 -0.087 -4.668 1.00 0.00 C ATOM 0 H ALA A 35 4.880 -1.189 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 35 7.099 -0.613 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.953 0.524 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.320 -1.090 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.364 0.361 -5.385 1.00 0.00 H new ATOM 516 N GLN A 36 4.856 1.698 -3.174 1.00 0.00 N ATOM 517 CA GLN A 36 4.380 2.998 -2.735 1.00 0.00 C ATOM 518 C GLN A 36 4.006 2.954 -1.252 1.00 0.00 C ATOM 519 O GLN A 36 4.388 3.837 -0.485 1.00 0.00 O ATOM 520 CB GLN A 36 3.197 3.464 -3.585 1.00 0.00 C ATOM 521 CG GLN A 36 2.593 4.754 -3.025 1.00 0.00 C ATOM 522 CD GLN A 36 1.142 4.923 -3.482 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.365 3.878 -3.214 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 0.755 5.936 -4.041 1.00 0.00 N flip ATOM 0 H GLN A 36 4.234 1.212 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 36 5.186 3.721 -2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.524 3.627 -4.612 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.436 2.684 -3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.636 4.737 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.184 5.609 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.405 6.702 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.219 6.017 -4.333 1.00 0.00 H new ATOM 533 N LEU A 37 3.263 1.918 -0.893 1.00 0.00 N ATOM 534 CA LEU A 37 2.833 1.747 0.485 1.00 0.00 C ATOM 535 C LEU A 37 4.049 1.834 1.409 1.00 0.00 C ATOM 536 O LEU A 37 3.912 2.130 2.595 1.00 0.00 O ATOM 537 CB LEU A 37 2.035 0.451 0.640 1.00 0.00 C ATOM 538 CG LEU A 37 0.674 0.414 -0.057 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.356 -0.336 0.790 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.203 1.825 -0.416 1.00 0.00 C ATOM 0 H LEU A 37 2.948 1.188 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 37 2.154 2.549 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.639 -0.372 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.882 0.267 1.703 1.00 0.00 H new ATOM 0 HG LEU A 37 0.784 -0.136 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.315 -0.347 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.018 -1.360 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.470 0.164 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.767 1.770 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.114 2.421 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.926 2.290 -1.086 1.00 0.00 H new ATOM 552 N PHE A 38 5.212 1.572 0.830 1.00 0.00 N ATOM 553 CA PHE A 38 6.452 1.617 1.587 1.00 0.00 C ATOM 554 C PHE A 38 6.736 3.034 2.090 1.00 0.00 C ATOM 555 O PHE A 38 7.041 3.230 3.265 1.00 0.00 O ATOM 556 CB PHE A 38 7.572 1.192 0.636 1.00 0.00 C ATOM 557 CG PHE A 38 8.778 0.563 1.337 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.037 0.857 2.639 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.591 -0.290 0.658 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.156 0.273 3.290 1.00 0.00 C ATOM 561 CE2 PHE A 38 10.710 -0.873 1.308 1.00 0.00 C ATOM 562 CZ PHE A 38 10.969 -0.580 2.610 1.00 0.00 C ATOM 0 H PHE A 38 5.322 1.328 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 38 6.383 0.960 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.172 0.480 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.906 2.063 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.392 1.535 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.385 -0.524 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.361 0.506 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.356 -1.550 0.768 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.820 -1.024 3.105 1.00 0.00 H new ATOM 572 N ALA A 39 6.625 3.986 1.174 1.00 0.00 N ATOM 573 CA ALA A 39 6.866 5.379 1.510 1.00 0.00 C ATOM 574 C ALA A 39 5.645 5.941 2.241 1.00 0.00 C ATOM 575 O ALA A 39 5.665 7.080 2.705 1.00 0.00 O ATOM 576 CB ALA A 39 7.195 6.161 0.237 1.00 0.00 C ATOM 0 H ALA A 39 6.372 3.820 0.200 1.00 0.00 H new ATOM 0 HA ALA A 39 7.722 5.471 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.376 7.206 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.086 5.740 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.357 6.095 -0.457 1.00 0.00 H new ATOM 582 N LEU A 40 4.611 5.117 2.320 1.00 0.00 N ATOM 583 CA LEU A 40 3.383 5.518 2.987 1.00 0.00 C ATOM 584 C LEU A 40 3.547 5.339 4.498 1.00 0.00 C ATOM 585 O LEU A 40 3.333 6.278 5.264 1.00 0.00 O ATOM 586 CB LEU A 40 2.186 4.764 2.404 1.00 0.00 C ATOM 587 CG LEU A 40 1.700 5.234 1.032 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.282 4.733 0.751 1.00 0.00 C ATOM 589 CD2 LEU A 40 1.807 6.755 0.904 1.00 0.00 C ATOM 0 H LEU A 40 4.598 4.173 1.933 1.00 0.00 H new ATOM 0 HA LEU A 40 3.181 6.575 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.447 3.708 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.356 4.841 3.107 1.00 0.00 H new ATOM 0 HG LEU A 40 2.350 4.801 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.039 5.081 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.271 3.643 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.397 5.117 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.455 7.063 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.196 7.229 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.846 7.058 1.029 1.00 0.00 H new ATOM 601 N THR A 41 3.925 4.128 4.881 1.00 0.00 N ATOM 602 CA THR A 41 4.119 3.815 6.286 1.00 0.00 C ATOM 603 C THR A 41 5.610 3.674 6.599 1.00 0.00 C ATOM 604 O THR A 41 6.083 4.171 7.620 1.00 0.00 O ATOM 605 CB THR A 41 3.309 2.558 6.607 1.00 0.00 C ATOM 606 OG1 THR A 41 4.087 1.495 6.063 1.00 0.00 O ATOM 607 CG2 THR A 41 1.994 2.494 5.827 1.00 0.00 C ATOM 0 H THR A 41 4.102 3.352 4.243 1.00 0.00 H new ATOM 0 HA THR A 41 3.759 4.622 6.925 1.00 0.00 H new ATOM 0 HB THR A 41 3.099 2.525 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.059 1.537 5.084 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.458 1.583 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.381 3.361 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.205 2.493 4.758 1.00 0.00 H new ATOM 615 N GLY A 42 6.308 2.993 5.702 1.00 0.00 N ATOM 616 CA GLY A 42 7.736 2.780 5.870 1.00 0.00 C ATOM 617 C GLY A 42 8.060 1.287 5.962 1.00 0.00 C ATOM 618 O GLY A 42 9.180 0.912 6.305 1.00 0.00 O ATOM 0 H GLY A 42 5.912 2.582 4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.274 3.222 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.079 3.287 6.772 1.00 0.00 H new ATOM 622 N VAL A 43 7.060 0.477 5.649 1.00 0.00 N ATOM 623 CA VAL A 43 7.225 -0.966 5.692 1.00 0.00 C ATOM 624 C VAL A 43 7.559 -1.479 4.289 1.00 0.00 C ATOM 625 O VAL A 43 7.248 -0.825 3.295 1.00 0.00 O ATOM 626 CB VAL A 43 5.974 -1.619 6.284 1.00 0.00 C ATOM 627 CG1 VAL A 43 6.190 -3.117 6.508 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.556 -0.925 7.581 1.00 0.00 C ATOM 0 H VAL A 43 6.133 0.792 5.365 1.00 0.00 H new ATOM 0 HA VAL A 43 8.056 -1.236 6.344 1.00 0.00 H new ATOM 0 HB VAL A 43 5.163 -1.502 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.286 -3.556 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.418 -3.598 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.021 -3.266 7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.665 -1.408 7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.365 -0.996 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.340 0.124 7.379 1.00 0.00 H new ATOM 638 N GLN A 44 8.189 -2.644 4.255 1.00 0.00 N ATOM 639 CA GLN A 44 8.569 -3.252 2.991 1.00 0.00 C ATOM 640 C GLN A 44 7.331 -3.769 2.257 1.00 0.00 C ATOM 641 O GLN A 44 6.310 -4.055 2.880 1.00 0.00 O ATOM 642 CB GLN A 44 9.587 -4.373 3.206 1.00 0.00 C ATOM 643 CG GLN A 44 10.921 -3.815 3.707 1.00 0.00 C ATOM 644 CD GLN A 44 10.783 -3.257 5.125 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.864 -3.578 5.860 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.745 -2.404 5.466 1.00 0.00 N ATOM 0 H GLN A 44 8.446 -3.183 5.082 1.00 0.00 H new ATOM 0 HA GLN A 44 9.042 -2.490 2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.196 -5.091 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.742 -4.912 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.676 -4.601 3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.266 -3.029 3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.486 -2.179 4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.742 -1.975 6.392 1.00 0.00 H new ATOM 655 N PRO A 45 7.465 -3.876 0.907 1.00 0.00 N ATOM 656 CA PRO A 45 6.369 -4.354 0.082 1.00 0.00 C ATOM 657 C PRO A 45 6.198 -5.868 0.219 1.00 0.00 C ATOM 658 O PRO A 45 5.333 -6.460 -0.423 1.00 0.00 O ATOM 659 CB PRO A 45 6.724 -3.922 -1.332 1.00 0.00 C ATOM 660 CG PRO A 45 8.216 -3.631 -1.316 1.00 0.00 C ATOM 661 CD PRO A 45 8.659 -3.546 0.135 1.00 0.00 C ATOM 0 HA PRO A 45 5.406 -3.940 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.487 -4.706 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.157 -3.038 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.764 -4.416 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.428 -2.696 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.470 -4.244 0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.026 -2.549 0.379 1.00 0.00 H new ATOM 669 N ALA A 46 7.038 -6.452 1.062 1.00 0.00 N ATOM 670 CA ALA A 46 6.991 -7.885 1.292 1.00 0.00 C ATOM 671 C ALA A 46 6.266 -8.162 2.610 1.00 0.00 C ATOM 672 O ALA A 46 5.383 -9.017 2.670 1.00 0.00 O ATOM 673 CB ALA A 46 8.412 -8.452 1.278 1.00 0.00 C ATOM 0 H ALA A 46 7.755 -5.958 1.594 1.00 0.00 H new ATOM 0 HA ALA A 46 6.434 -8.383 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.376 -9.528 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.873 -8.255 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.001 -7.978 2.063 1.00 0.00 H new ATOM 679 N ARG A 47 6.665 -7.424 3.635 1.00 0.00 N ATOM 680 CA ARG A 47 6.064 -7.579 4.949 1.00 0.00 C ATOM 681 C ARG A 47 4.682 -6.924 4.981 1.00 0.00 C ATOM 682 O ARG A 47 3.843 -7.278 5.808 1.00 0.00 O ATOM 683 CB ARG A 47 6.943 -6.953 6.034 1.00 0.00 C ATOM 684 CG ARG A 47 8.421 -7.267 5.792 1.00 0.00 C ATOM 685 CD ARG A 47 9.109 -7.703 7.087 1.00 0.00 C ATOM 686 NE ARG A 47 10.543 -7.965 6.834 1.00 0.00 N ATOM 687 CZ ARG A 47 11.363 -8.561 7.711 1.00 0.00 C ATOM 688 NH1 ARG A 47 10.896 -8.959 8.902 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.651 -8.758 7.396 1.00 0.00 N ATOM 0 H ARG A 47 7.398 -6.716 3.582 1.00 0.00 H new ATOM 0 HA ARG A 47 5.968 -8.647 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.795 -5.873 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.643 -7.329 7.012 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.511 -8.056 5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.922 -6.387 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.001 -6.927 7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.630 -8.601 7.479 1.00 0.00 H new ATOM 0 HE ARG A 47 10.932 -7.674 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.916 -8.809 9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.520 -9.412 9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.007 -8.454 6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.276 -9.211 8.063 1.00 0.00 H new ATOM 703 N GLN A 48 4.488 -5.981 4.071 1.00 0.00 N ATOM 704 CA GLN A 48 3.222 -5.273 3.985 1.00 0.00 C ATOM 705 C GLN A 48 2.143 -6.186 3.399 1.00 0.00 C ATOM 706 O GLN A 48 2.057 -6.350 2.183 1.00 0.00 O ATOM 707 CB GLN A 48 3.364 -3.993 3.160 1.00 0.00 C ATOM 708 CG GLN A 48 3.980 -2.868 3.995 1.00 0.00 C ATOM 709 CD GLN A 48 4.139 -1.593 3.165 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.672 -0.525 3.525 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.822 -1.763 2.037 1.00 0.00 N ATOM 0 H GLN A 48 5.186 -5.691 3.387 1.00 0.00 H new ATOM 0 HA GLN A 48 2.920 -4.985 4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.987 -4.186 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.386 -3.683 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.350 -2.666 4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.952 -3.183 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.186 -2.685 1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.982 -0.972 1.414 1.00 0.00 H new ATOM 720 N LYS A 49 1.346 -6.755 4.291 1.00 0.00 N ATOM 721 CA LYS A 49 0.275 -7.647 3.878 1.00 0.00 C ATOM 722 C LYS A 49 -0.874 -6.822 3.296 1.00 0.00 C ATOM 723 O LYS A 49 -1.680 -6.264 4.038 1.00 0.00 O ATOM 724 CB LYS A 49 -0.144 -8.554 5.036 1.00 0.00 C ATOM 725 CG LYS A 49 -0.926 -9.767 4.528 1.00 0.00 C ATOM 726 CD LYS A 49 -1.424 -10.626 5.692 1.00 0.00 C ATOM 727 CE LYS A 49 -1.814 -12.025 5.213 1.00 0.00 C ATOM 728 NZ LYS A 49 -1.602 -13.019 6.289 1.00 0.00 N ATOM 0 H LYS A 49 1.420 -6.616 5.299 1.00 0.00 H new ATOM 0 HA LYS A 49 0.619 -8.316 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.740 -8.888 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.757 -7.991 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.774 -9.433 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.291 -10.366 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.646 -10.702 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.283 -10.146 6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.859 -12.032 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.222 -12.295 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.872 -13.963 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.599 -13.024 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.186 -12.769 7.112 1.00 0.00 H new ATOM 742 N VAL A 50 -0.912 -6.770 1.972 1.00 0.00 N ATOM 743 CA VAL A 50 -1.949 -6.022 1.282 1.00 0.00 C ATOM 744 C VAL A 50 -3.126 -6.952 0.979 1.00 0.00 C ATOM 745 O VAL A 50 -3.110 -7.675 -0.015 1.00 0.00 O ATOM 746 CB VAL A 50 -1.372 -5.361 0.029 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.428 -4.510 -0.678 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.134 -4.528 0.369 1.00 0.00 C ATOM 0 H VAL A 50 -0.241 -7.234 1.359 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.324 -5.217 1.914 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.066 -6.152 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.991 -4.052 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.267 -5.141 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.779 -3.730 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.256 -4.069 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.404 -3.749 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.629 -5.172 0.807 1.00 0.00 H new ATOM 758 N MET A 51 -4.119 -6.902 1.855 1.00 0.00 N ATOM 759 CA MET A 51 -5.302 -7.730 1.694 1.00 0.00 C ATOM 760 C MET A 51 -6.203 -7.188 0.583 1.00 0.00 C ATOM 761 O MET A 51 -5.977 -6.091 0.074 1.00 0.00 O ATOM 762 CB MET A 51 -6.081 -7.769 3.010 1.00 0.00 C ATOM 763 CG MET A 51 -5.627 -8.942 3.882 1.00 0.00 C ATOM 764 SD MET A 51 -6.993 -10.053 4.170 1.00 0.00 S ATOM 765 CE MET A 51 -7.156 -10.773 2.545 1.00 0.00 C ATOM 0 H MET A 51 -4.128 -6.301 2.679 1.00 0.00 H new ATOM 0 HA MET A 51 -4.984 -8.736 1.420 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.937 -6.833 3.550 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.148 -7.857 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.811 -9.475 3.393 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.242 -8.572 4.832 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.018 -10.339 2.039 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.255 -10.571 1.965 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.294 -11.850 2.637 1.00 0.00 H new ATOM 775 N VAL A 52 -7.206 -7.983 0.239 1.00 0.00 N ATOM 776 CA VAL A 52 -8.143 -7.597 -0.803 1.00 0.00 C ATOM 777 C VAL A 52 -9.561 -7.979 -0.375 1.00 0.00 C ATOM 778 O VAL A 52 -9.744 -8.866 0.457 1.00 0.00 O ATOM 779 CB VAL A 52 -7.731 -8.225 -2.136 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.550 -7.646 -3.291 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.232 -8.049 -2.385 1.00 0.00 C ATOM 0 H VAL A 52 -7.390 -8.892 0.663 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.128 -6.517 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.938 -9.294 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.237 -8.109 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.608 -7.846 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.389 -6.569 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.966 -8.504 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.990 -6.987 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.671 -8.531 -1.584 1.00 0.00 H new ATOM 791 N LYS A 53 -10.528 -7.290 -0.963 1.00 0.00 N ATOM 792 CA LYS A 53 -11.924 -7.546 -0.653 1.00 0.00 C ATOM 793 C LYS A 53 -12.081 -8.995 -0.186 1.00 0.00 C ATOM 794 O LYS A 53 -12.601 -9.248 0.900 1.00 0.00 O ATOM 795 CB LYS A 53 -12.813 -7.184 -1.844 1.00 0.00 C ATOM 796 CG LYS A 53 -12.740 -5.687 -2.148 1.00 0.00 C ATOM 797 CD LYS A 53 -14.100 -5.018 -1.937 1.00 0.00 C ATOM 798 CE LYS A 53 -13.944 -3.509 -1.736 1.00 0.00 C ATOM 799 NZ LYS A 53 -14.707 -3.063 -0.549 1.00 0.00 N ATOM 0 H LYS A 53 -10.372 -6.555 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.255 -6.909 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.502 -7.752 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.844 -7.466 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.996 -5.217 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.412 -5.537 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.741 -5.209 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.593 -5.455 -1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.890 -3.260 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.296 -2.980 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.590 -2.037 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.715 -3.284 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.353 -3.555 0.296 1.00 0.00 H new ATOM 813 N GLY A 54 -11.622 -9.908 -1.029 1.00 0.00 N ATOM 814 CA GLY A 54 -11.704 -11.324 -0.717 1.00 0.00 C ATOM 815 C GLY A 54 -10.514 -12.086 -1.304 1.00 0.00 C ATOM 816 O GLY A 54 -10.695 -13.065 -2.026 1.00 0.00 O ATOM 0 H GLY A 54 -11.192 -9.694 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.730 -11.461 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.633 -11.734 -1.113 1.00 0.00 H new ATOM 820 N GLY A 55 -9.324 -11.607 -0.971 1.00 0.00 N ATOM 821 CA GLY A 55 -8.105 -12.230 -1.457 1.00 0.00 C ATOM 822 C GLY A 55 -6.879 -11.389 -1.098 1.00 0.00 C ATOM 823 O GLY A 55 -6.998 -10.366 -0.425 1.00 0.00 O ATOM 0 H GLY A 55 -9.178 -10.795 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.005 -13.227 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.162 -12.354 -2.538 1.00 0.00 H new ATOM 827 N THR A 56 -5.727 -11.850 -1.565 1.00 0.00 N ATOM 828 CA THR A 56 -4.480 -11.152 -1.302 1.00 0.00 C ATOM 829 C THR A 56 -3.860 -10.657 -2.610 1.00 0.00 C ATOM 830 O THR A 56 -3.914 -11.347 -3.627 1.00 0.00 O ATOM 831 CB THR A 56 -3.568 -12.095 -0.515 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.342 -12.454 0.627 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.350 -11.377 0.071 1.00 0.00 C ATOM 0 H THR A 56 -5.632 -12.698 -2.124 1.00 0.00 H new ATOM 0 HA THR A 56 -4.645 -10.259 -0.700 1.00 0.00 H new ATOM 0 HB THR A 56 -3.235 -12.904 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.826 -13.066 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.736 -12.091 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.763 -10.938 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.682 -10.590 0.747 1.00 0.00 H new ATOM 841 N LEU A 57 -3.285 -9.466 -2.541 1.00 0.00 N ATOM 842 CA LEU A 57 -2.654 -8.870 -3.707 1.00 0.00 C ATOM 843 C LEU A 57 -1.401 -9.670 -4.068 1.00 0.00 C ATOM 844 O LEU A 57 -0.541 -9.899 -3.219 1.00 0.00 O ATOM 845 CB LEU A 57 -2.388 -7.382 -3.472 1.00 0.00 C ATOM 846 CG LEU A 57 -2.993 -6.422 -4.498 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.700 -4.967 -4.126 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.515 -6.759 -5.912 1.00 0.00 C ATOM 0 H LEU A 57 -3.243 -8.897 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.322 -8.918 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.770 -7.116 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.310 -7.225 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.076 -6.546 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.141 -4.305 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.128 -4.748 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.622 -4.810 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.960 -6.062 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.429 -6.680 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.816 -7.776 -6.165 1.00 0.00 H new ATOM 860 N LYS A 58 -1.337 -10.073 -5.329 1.00 0.00 N ATOM 861 CA LYS A 58 -0.203 -10.842 -5.812 1.00 0.00 C ATOM 862 C LYS A 58 1.022 -9.930 -5.909 1.00 0.00 C ATOM 863 O LYS A 58 0.955 -8.754 -5.554 1.00 0.00 O ATOM 864 CB LYS A 58 -0.552 -11.543 -7.126 1.00 0.00 C ATOM 865 CG LYS A 58 -1.395 -12.795 -6.873 1.00 0.00 C ATOM 866 CD LYS A 58 -1.581 -13.601 -8.160 1.00 0.00 C ATOM 867 CE LYS A 58 -3.043 -14.012 -8.343 1.00 0.00 C ATOM 868 NZ LYS A 58 -3.132 -15.314 -9.041 1.00 0.00 N ATOM 0 H LYS A 58 -2.052 -9.881 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 58 0.045 -11.637 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.098 -10.857 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.363 -11.817 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.913 -13.416 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.369 -12.508 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.257 -13.008 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.951 -14.490 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.532 -14.079 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.572 -13.250 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.131 -15.578 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.683 -15.238 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.644 -16.042 -8.481 1.00 0.00 H new ATOM 882 N ASP A 59 2.113 -10.508 -6.390 1.00 0.00 N ATOM 883 CA ASP A 59 3.351 -9.762 -6.537 1.00 0.00 C ATOM 884 C ASP A 59 3.781 -9.780 -8.006 1.00 0.00 C ATOM 885 O ASP A 59 4.195 -8.756 -8.547 1.00 0.00 O ATOM 886 CB ASP A 59 4.474 -10.389 -5.709 1.00 0.00 C ATOM 887 CG ASP A 59 4.582 -11.912 -5.814 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.638 -12.582 -5.343 1.00 0.00 O ATOM 889 OD2 ASP A 59 5.607 -12.371 -6.363 1.00 0.00 O ATOM 0 H ASP A 59 2.165 -11.484 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 59 3.174 -8.744 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.422 -9.950 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.326 -10.122 -4.663 1.00 0.00 H new ATOM 894 N ASP A 60 3.667 -10.954 -8.608 1.00 0.00 N ATOM 895 CA ASP A 60 4.038 -11.119 -10.003 1.00 0.00 C ATOM 896 C ASP A 60 3.126 -10.253 -10.875 1.00 0.00 C ATOM 897 O ASP A 60 3.603 -9.401 -11.623 1.00 0.00 O ATOM 898 CB ASP A 60 3.875 -12.574 -10.449 1.00 0.00 C ATOM 899 CG ASP A 60 4.613 -13.600 -9.587 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.761 -13.295 -9.198 1.00 0.00 O ATOM 901 OD2 ASP A 60 4.012 -14.667 -9.336 1.00 0.00 O ATOM 0 H ASP A 60 3.323 -11.801 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 60 5.082 -10.823 -10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.813 -12.821 -10.452 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.226 -12.665 -11.477 1.00 0.00 H new ATOM 906 N ASP A 61 1.831 -10.501 -10.749 1.00 0.00 N ATOM 907 CA ASP A 61 0.848 -9.754 -11.516 1.00 0.00 C ATOM 908 C ASP A 61 -0.503 -9.813 -10.800 1.00 0.00 C ATOM 909 O ASP A 61 -0.750 -10.720 -10.007 1.00 0.00 O ATOM 910 CB ASP A 61 0.670 -10.352 -12.913 1.00 0.00 C ATOM 911 CG ASP A 61 1.956 -10.475 -13.732 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.460 -9.414 -14.161 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.406 -11.627 -13.912 1.00 0.00 O ATOM 0 H ASP A 61 1.439 -11.209 -10.127 1.00 0.00 H new ATOM 0 HA ASP A 61 1.200 -8.726 -11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.224 -11.342 -12.814 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.039 -9.737 -13.468 1.00 0.00 H new ATOM 918 N TRP A 62 -1.342 -8.834 -11.106 1.00 0.00 N ATOM 919 CA TRP A 62 -2.662 -8.764 -10.503 1.00 0.00 C ATOM 920 C TRP A 62 -3.458 -9.986 -10.963 1.00 0.00 C ATOM 921 O TRP A 62 -3.931 -10.769 -10.141 1.00 0.00 O ATOM 922 CB TRP A 62 -3.349 -7.440 -10.841 1.00 0.00 C ATOM 923 CG TRP A 62 -2.616 -6.205 -10.314 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.495 -5.646 -10.789 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.001 -5.394 -9.184 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.130 -4.538 -10.051 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.075 -4.380 -9.044 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.095 -5.513 -8.309 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.149 -3.408 -8.039 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.155 -4.533 -7.310 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.231 -3.506 -7.156 1.00 0.00 C ATOM 0 H TRP A 62 -1.133 -8.083 -11.764 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.591 -8.785 -9.416 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.445 -7.358 -11.924 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.359 -7.452 -10.432 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.946 -6.016 -11.642 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.317 -3.945 -10.215 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.831 -6.298 -8.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.411 -2.625 -7.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.977 -4.578 -6.610 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.347 -2.787 -6.359 1.00 0.00 H new ATOM 942 N GLY A 63 -3.582 -10.112 -12.276 1.00 0.00 N ATOM 943 CA GLY A 63 -4.314 -11.225 -12.856 1.00 0.00 C ATOM 944 C GLY A 63 -5.791 -10.874 -13.042 1.00 0.00 C ATOM 945 O GLY A 63 -6.669 -11.662 -12.693 1.00 0.00 O ATOM 0 H GLY A 63 -3.188 -9.461 -12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.876 -11.491 -13.818 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.223 -12.100 -12.212 1.00 0.00 H new ATOM 949 N ASN A 64 -6.020 -9.690 -13.590 1.00 0.00 N ATOM 950 CA ASN A 64 -7.376 -9.225 -13.826 1.00 0.00 C ATOM 951 C ASN A 64 -8.139 -9.196 -12.501 1.00 0.00 C ATOM 952 O ASN A 64 -9.209 -9.792 -12.383 1.00 0.00 O ATOM 953 CB ASN A 64 -8.122 -10.160 -14.781 1.00 0.00 C ATOM 954 CG ASN A 64 -7.552 -10.066 -16.197 1.00 0.00 C ATOM 955 OD1 ASN A 64 -6.361 -9.900 -16.405 1.00 0.00 O ATOM 956 ND2 ASN A 64 -8.465 -10.181 -17.157 1.00 0.00 N ATOM 0 H ASN A 64 -5.289 -9.039 -13.877 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.318 -8.230 -14.268 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.047 -11.187 -14.423 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.181 -9.903 -14.794 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.184 -10.132 -18.136 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.446 -10.319 -16.914 1.00 0.00 H new ATOM 963 N ILE A 65 -7.560 -8.496 -11.536 1.00 0.00 N ATOM 964 CA ILE A 65 -8.172 -8.382 -10.223 1.00 0.00 C ATOM 965 C ILE A 65 -9.365 -7.428 -10.303 1.00 0.00 C ATOM 966 O ILE A 65 -9.290 -6.388 -10.956 1.00 0.00 O ATOM 967 CB ILE A 65 -7.129 -7.977 -9.179 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.061 -9.062 -9.022 1.00 0.00 C ATOM 969 CG2 ILE A 65 -7.794 -7.630 -7.846 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.041 -8.675 -7.949 1.00 0.00 C ATOM 0 H ILE A 65 -6.673 -8.002 -11.637 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.557 -9.348 -9.897 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.625 -7.077 -9.531 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.534 -10.007 -8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.552 -9.217 -9.973 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.031 -7.346 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.485 -6.800 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.341 -8.497 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.293 -9.463 -7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.553 -7.742 -8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.550 -8.544 -6.994 1.00 0.00 H new ATOM 982 N LYS A 66 -10.438 -7.815 -9.628 1.00 0.00 N ATOM 983 CA LYS A 66 -11.645 -7.007 -9.614 1.00 0.00 C ATOM 984 C LYS A 66 -11.445 -5.816 -8.675 1.00 0.00 C ATOM 985 O LYS A 66 -11.892 -5.842 -7.529 1.00 0.00 O ATOM 986 CB LYS A 66 -12.862 -7.867 -9.267 1.00 0.00 C ATOM 987 CG LYS A 66 -13.440 -8.529 -10.519 1.00 0.00 C ATOM 988 CD LYS A 66 -12.497 -9.608 -11.054 1.00 0.00 C ATOM 989 CE LYS A 66 -13.083 -10.282 -12.296 1.00 0.00 C ATOM 990 NZ LYS A 66 -12.695 -11.709 -12.344 1.00 0.00 N ATOM 0 H LYS A 66 -10.496 -8.678 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.844 -6.601 -10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.577 -8.632 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.625 -7.250 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.409 -8.971 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.609 -7.775 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.532 -9.164 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.318 -10.355 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.169 -10.195 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.731 -9.773 -13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.101 -12.151 -13.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.658 -11.786 -12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.052 -12.195 -11.497 1.00 0.00 H new ATOM 1004 N MET A 67 -10.774 -4.799 -9.195 1.00 0.00 N ATOM 1005 CA MET A 67 -10.509 -3.600 -8.417 1.00 0.00 C ATOM 1006 C MET A 67 -11.519 -2.499 -8.746 1.00 0.00 C ATOM 1007 O MET A 67 -11.922 -2.345 -9.898 1.00 0.00 O ATOM 1008 CB MET A 67 -9.094 -3.100 -8.714 1.00 0.00 C ATOM 1009 CG MET A 67 -8.054 -4.175 -8.393 1.00 0.00 C ATOM 1010 SD MET A 67 -7.742 -4.216 -6.636 1.00 0.00 S ATOM 1011 CE MET A 67 -6.937 -2.637 -6.427 1.00 0.00 C ATOM 0 H MET A 67 -10.406 -4.780 -10.146 1.00 0.00 H new ATOM 0 HA MET A 67 -10.601 -3.848 -7.360 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.017 -2.817 -9.764 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.890 -2.205 -8.127 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.409 -5.149 -8.731 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.128 -3.969 -8.931 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.395 -2.627 -5.481 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.238 -2.474 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.685 -1.845 -6.425 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.900 -1.762 -7.713 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.855 -0.679 -7.878 1.00 0.00 C ATOM 1023 C LYS A 68 -12.321 0.576 -7.186 1.00 0.00 C ATOM 1024 O LYS A 68 -11.603 0.484 -6.192 1.00 0.00 O ATOM 1025 CB LYS A 68 -14.240 -1.108 -7.389 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.751 -2.315 -8.179 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.625 -3.214 -7.303 1.00 0.00 C ATOM 1028 CE LYS A 68 -14.794 -4.322 -6.653 1.00 0.00 C ATOM 1029 NZ LYS A 68 -15.499 -5.620 -6.744 1.00 0.00 N ATOM 0 H LYS A 68 -11.565 -1.893 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.976 -0.435 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.195 -1.356 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.939 -0.278 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.324 -1.974 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.906 -2.886 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.108 -2.616 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.418 -3.656 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.824 -4.393 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.604 -4.077 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.921 -6.361 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.414 -5.553 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.658 -5.859 -7.744 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.692 1.721 -7.741 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.258 2.994 -7.190 1.00 0.00 C ATOM 1045 C ASN A 69 -13.122 3.340 -5.975 1.00 0.00 C ATOM 1046 O ASN A 69 -14.339 3.478 -6.094 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.413 4.119 -8.215 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.764 4.031 -8.927 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -13.782 3.184 -9.952 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 -14.727 4.689 -8.569 1.00 0.00 N flip ATOM 0 H ASN A 69 -13.288 1.794 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.208 2.901 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.323 5.084 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.608 4.062 -8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.645 5.321 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.614 4.607 -9.066 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.460 3.470 -4.836 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.152 3.797 -3.601 1.00 0.00 C ATOM 1059 C GLY A 70 -12.924 2.716 -2.542 1.00 0.00 C ATOM 1060 O GLY A 70 -13.094 2.965 -1.349 1.00 0.00 O ATOM 0 H GLY A 70 -11.451 3.355 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.800 4.758 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.219 3.902 -3.795 1.00 0.00 H new ATOM 1064 N MET A 71 -12.544 1.539 -3.016 1.00 0.00 N ATOM 1065 CA MET A 71 -12.292 0.420 -2.125 1.00 0.00 C ATOM 1066 C MET A 71 -11.210 0.767 -1.101 1.00 0.00 C ATOM 1067 O MET A 71 -10.493 1.753 -1.260 1.00 0.00 O ATOM 1068 CB MET A 71 -11.849 -0.795 -2.944 1.00 0.00 C ATOM 1069 CG MET A 71 -10.437 -0.596 -3.499 1.00 0.00 C ATOM 1070 SD MET A 71 -10.068 -1.865 -4.699 1.00 0.00 S ATOM 1071 CE MET A 71 -10.459 -3.320 -3.742 1.00 0.00 C ATOM 0 H MET A 71 -12.405 1.336 -4.006 1.00 0.00 H new ATOM 0 HA MET A 71 -13.213 0.192 -1.589 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.876 -1.688 -2.320 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.547 -0.959 -3.765 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.354 0.388 -3.961 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.710 -0.629 -2.687 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.996 -4.193 -4.202 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.080 -3.201 -2.727 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.540 -3.456 -3.712 1.00 0.00 H new ATOM 1081 N THR A 72 -11.127 -0.063 -0.071 1.00 0.00 N ATOM 1082 CA THR A 72 -10.144 0.144 0.979 1.00 0.00 C ATOM 1083 C THR A 72 -9.116 -0.988 0.978 1.00 0.00 C ATOM 1084 O THR A 72 -9.475 -2.158 0.860 1.00 0.00 O ATOM 1085 CB THR A 72 -10.894 0.284 2.306 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.185 1.676 2.396 1.00 0.00 O ATOM 1087 CG2 THR A 72 -9.997 0.012 3.516 1.00 0.00 C ATOM 0 H THR A 72 -11.724 -0.880 0.059 1.00 0.00 H new ATOM 0 HA THR A 72 -9.573 1.058 0.813 1.00 0.00 H new ATOM 0 HB THR A 72 -11.740 -0.403 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.673 1.855 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.577 0.125 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.605 -1.003 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.169 0.721 3.522 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.856 -0.600 1.112 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.773 -1.568 1.128 1.00 0.00 C ATOM 1097 C VAL A 73 -6.244 -1.712 2.557 1.00 0.00 C ATOM 1098 O VAL A 73 -5.861 -0.725 3.183 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.689 -1.158 0.128 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.422 -1.994 0.319 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.202 -1.260 -1.309 1.00 0.00 C ATOM 0 H VAL A 73 -7.561 0.372 1.210 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.133 -2.548 0.814 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.434 -0.116 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.668 -1.682 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.039 -1.848 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.655 -3.048 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.412 -0.963 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.499 -2.288 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.061 -0.602 -1.436 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.241 -2.949 3.030 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.766 -3.235 4.373 1.00 0.00 C ATOM 1113 C LEU A 74 -4.274 -3.569 4.322 1.00 0.00 C ATOM 1114 O LEU A 74 -3.824 -4.279 3.424 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.619 -4.328 5.022 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.803 -4.223 6.537 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.502 -4.550 7.272 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.354 -2.850 6.929 1.00 0.00 C ATOM 0 H LEU A 74 -6.560 -3.765 2.507 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.875 -2.357 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.604 -4.318 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.169 -5.295 4.797 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.540 -4.965 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.661 -4.468 8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.192 -5.566 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.725 -3.850 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.475 -2.802 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.660 -2.074 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.320 -2.695 6.448 1.00 0.00 H new ATOM 1130 N MET A 75 -3.548 -3.042 5.296 1.00 0.00 N ATOM 1131 CA MET A 75 -2.116 -3.275 5.373 1.00 0.00 C ATOM 1132 C MET A 75 -1.700 -3.668 6.792 1.00 0.00 C ATOM 1133 O MET A 75 -2.020 -2.970 7.753 1.00 0.00 O ATOM 1134 CB MET A 75 -1.369 -2.007 4.955 1.00 0.00 C ATOM 1135 CG MET A 75 -0.095 -2.352 4.181 1.00 0.00 C ATOM 1136 SD MET A 75 0.956 -0.914 4.063 1.00 0.00 S ATOM 1137 CE MET A 75 1.797 -1.016 5.635 1.00 0.00 C ATOM 0 H MET A 75 -3.925 -2.454 6.039 1.00 0.00 H new ATOM 0 HA MET A 75 -1.864 -4.095 4.700 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.017 -1.386 4.337 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.115 -1.422 5.839 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.437 -3.161 4.682 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.351 -2.708 3.183 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.838 -0.719 5.510 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.313 -0.351 6.350 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.753 -2.040 6.005 1.00 0.00 H new ATOM 1147 N MET A 76 -0.992 -4.785 6.879 1.00 0.00 N ATOM 1148 CA MET A 76 -0.528 -5.279 8.164 1.00 0.00 C ATOM 1149 C MET A 76 0.995 -5.426 8.178 1.00 0.00 C ATOM 1150 O MET A 76 1.553 -6.209 7.411 1.00 0.00 O ATOM 1151 CB MET A 76 -1.175 -6.635 8.453 1.00 0.00 C ATOM 1152 CG MET A 76 -2.651 -6.471 8.822 1.00 0.00 C ATOM 1153 SD MET A 76 -2.925 -7.016 10.499 1.00 0.00 S ATOM 1154 CE MET A 76 -3.306 -5.454 11.274 1.00 0.00 C ATOM 0 H MET A 76 -0.729 -5.362 6.080 1.00 0.00 H new ATOM 0 HA MET A 76 -0.811 -4.560 8.933 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.085 -7.279 7.578 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.645 -7.128 9.268 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.947 -5.427 8.717 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.272 -7.049 8.137 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.505 -5.613 12.334 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.460 -4.776 11.161 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.186 -5.018 10.801 1.00 0.00 H new ATOM 1164 N GLY A 77 1.623 -4.661 9.059 1.00 0.00 N ATOM 1165 CA GLY A 77 3.070 -4.697 9.183 1.00 0.00 C ATOM 1166 C GLY A 77 3.519 -4.129 10.531 1.00 0.00 C ATOM 1167 O GLY A 77 3.001 -4.519 11.576 1.00 0.00 O ATOM 0 H GLY A 77 1.156 -4.013 9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.422 -5.724 9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.522 -4.124 8.374 1.00 0.00 H new ATOM 1171 N SER A 78 4.478 -3.217 10.463 1.00 0.00 N ATOM 1172 CA SER A 78 5.002 -2.592 11.665 1.00 0.00 C ATOM 1173 C SER A 78 6.188 -1.692 11.312 1.00 0.00 C ATOM 1174 O SER A 78 6.251 -0.543 11.747 1.00 0.00 O ATOM 1175 CB SER A 78 5.422 -3.643 12.695 1.00 0.00 C ATOM 1176 OG SER A 78 4.807 -3.424 13.962 1.00 0.00 O ATOM 0 H SER A 78 4.905 -2.896 9.594 1.00 0.00 H new ATOM 0 HA SER A 78 4.212 -1.985 12.107 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.157 -4.635 12.330 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.506 -3.625 12.810 1.00 0.00 H new ATOM 0 HG SER A 78 5.099 -4.116 14.591 1.00 0.00 H new ATOM 1182 N ALA A 79 7.099 -2.247 10.526 1.00 0.00 N ATOM 1183 CA ALA A 79 8.279 -1.509 10.110 1.00 0.00 C ATOM 1184 C ALA A 79 9.188 -1.284 11.320 1.00 0.00 C ATOM 1185 O ALA A 79 8.928 -0.406 12.141 1.00 0.00 O ATOM 1186 CB ALA A 79 7.853 -0.197 9.448 1.00 0.00 C ATOM 0 H ALA A 79 7.043 -3.200 10.166 1.00 0.00 H new ATOM 0 HA ALA A 79 8.847 -2.077 9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.738 0.357 9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.234 -0.413 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.283 0.401 10.159 1.00 0.00 H new