USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 67 MET CE :methyl -131:sc= 0 (180deg=-0.0228) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.897 K(o=-0.9,f=-1.8) USER MOD Set 2.1: A 18 THR OG1 : rot -31:sc= 1.67 USER MOD Set 2.2: A 21 THR OG1 : rot 165:sc= 2.39 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 35:sc= -0.129 USER MOD Single : A 17 THR OG1 : rot -140:sc= 0.534 USER MOD Single : A 20 GLN : amide:sc= 0.248 X(o=0.25,f=-0.036) USER MOD Single : A 27 SER OG : rot -29:sc= 0.135 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 35 SER OG : rot 113:sc= 1.19 USER MOD Single : A 36 LYS NZ :NH3+ 145:sc= 1.7 (180deg=0.385) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 THR OG1 : rot -104:sc= 0.00354 USER MOD Single : A 55 LYS NZ :NH3+ 147:sc= 1.43 (180deg=0.515!) USER MOD Single : A 58 LYS NZ :NH3+ -111:sc= 0.219 (180deg=-1.4!) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.179 (180deg=-0.792) USER MOD Single : A 68 ASN : amide:sc= 0.804 K(o=0.8,f=-0.037) USER MOD Single : A 76 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.704 K(o=-0.7,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 10.248 9.534 0.217 1.00 0.00 N ATOM 69 CA GLU A 5 9.444 8.484 0.759 1.00 0.00 C ATOM 70 C GLU A 5 9.044 7.521 -0.338 1.00 0.00 C ATOM 71 O GLU A 5 8.719 7.942 -1.449 1.00 0.00 O ATOM 72 CB GLU A 5 8.277 9.014 1.605 1.00 0.00 C ATOM 73 CG GLU A 5 7.409 10.110 1.003 1.00 0.00 C ATOM 74 CD GLU A 5 6.452 9.670 -0.099 1.00 0.00 C ATOM 75 OE1 GLU A 5 5.493 8.920 0.185 1.00 0.00 O ATOM 76 OE2 GLU A 5 6.600 10.130 -1.248 1.00 0.00 O1- ATOM 0 HA GLU A 5 10.039 7.913 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.631 8.171 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.686 9.387 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.826 10.566 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.062 10.885 0.603 1.00 0.00 H new ATOM 83 N TYR A 6 9.129 6.242 -0.075 1.00 0.00 N ATOM 84 CA TYR A 6 8.883 5.300 -1.115 1.00 0.00 C ATOM 85 C TYR A 6 7.531 4.716 -1.024 1.00 0.00 C ATOM 86 O TYR A 6 7.269 3.738 -0.343 1.00 0.00 O ATOM 87 CB TYR A 6 10.028 4.311 -1.288 1.00 0.00 C ATOM 88 CG TYR A 6 11.272 5.048 -1.731 1.00 0.00 C ATOM 89 CD1 TYR A 6 11.224 5.866 -2.850 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.460 4.986 -1.015 1.00 0.00 C ATOM 91 CE1 TYR A 6 12.321 6.587 -3.252 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.563 5.718 -1.405 1.00 0.00 C ATOM 93 CZ TYR A 6 13.489 6.513 -2.527 1.00 0.00 C ATOM 94 OH TYR A 6 14.566 7.269 -2.911 1.00 0.00 O ATOM 0 H TYR A 6 9.362 5.843 0.834 1.00 0.00 H new ATOM 0 HA TYR A 6 8.871 5.837 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.217 3.790 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.760 3.554 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.307 5.937 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.522 4.356 -0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.268 7.209 -4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.478 5.668 -0.834 1.00 0.00 H new ATOM 0 HH TYR A 6 15.314 7.107 -2.299 1.00 0.00 H new ATOM 104 N ARG A 7 6.670 5.381 -1.678 1.00 0.00 N ATOM 105 CA ARG A 7 5.295 5.120 -1.649 1.00 0.00 C ATOM 106 C ARG A 7 4.849 4.193 -2.764 1.00 0.00 C ATOM 107 O ARG A 7 5.227 4.331 -3.922 1.00 0.00 O ATOM 108 CB ARG A 7 4.612 6.451 -1.656 1.00 0.00 C ATOM 109 CG ARG A 7 3.104 6.469 -1.797 1.00 0.00 C ATOM 110 CD ARG A 7 2.570 7.852 -1.432 1.00 0.00 C ATOM 111 NE ARG A 7 3.559 8.907 -1.716 1.00 0.00 N ATOM 112 CZ ARG A 7 3.501 9.830 -2.664 1.00 0.00 C ATOM 113 NH1 ARG A 7 2.445 9.897 -3.486 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 4.511 10.678 -2.799 1.00 0.00 N ATOM 0 H ARG A 7 6.920 6.165 -2.281 1.00 0.00 H new ATOM 0 HA ARG A 7 5.021 4.570 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.868 6.964 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.032 7.039 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.822 6.218 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.659 5.714 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.656 8.049 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.307 7.874 -0.374 1.00 0.00 H new ATOM 0 HE ARG A 7 4.382 8.929 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.677 9.234 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.409 10.611 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.317 10.614 -2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.482 11.395 -3.524 1.00 0.00 H new ATOM 128 N CYS A 8 4.063 3.252 -2.376 1.00 0.00 N ATOM 129 CA CYS A 8 3.530 2.245 -3.219 1.00 0.00 C ATOM 130 C CYS A 8 2.026 2.462 -3.352 1.00 0.00 C ATOM 131 O CYS A 8 1.372 2.916 -2.399 1.00 0.00 O ATOM 132 CB CYS A 8 3.819 0.893 -2.566 1.00 0.00 C ATOM 133 SG CYS A 8 3.199 -0.537 -3.443 1.00 0.00 S ATOM 0 H CYS A 8 3.759 3.161 -1.407 1.00 0.00 H new ATOM 0 HA CYS A 8 3.977 2.278 -4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.898 0.788 -2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.392 0.895 -1.563 1.00 0.00 H new ATOM 0 HG CYS A 8 3.272 -0.326 -4.724 1.00 0.00 H new ATOM 139 N PHE A 9 1.499 2.184 -4.516 1.00 0.00 N ATOM 140 CA PHE A 9 0.082 2.301 -4.780 1.00 0.00 C ATOM 141 C PHE A 9 -0.539 0.917 -4.763 1.00 0.00 C ATOM 142 O PHE A 9 -0.070 0.005 -5.464 1.00 0.00 O ATOM 143 CB PHE A 9 -0.143 3.014 -6.133 1.00 0.00 C ATOM 144 CG PHE A 9 -1.560 3.031 -6.657 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.579 3.653 -5.965 1.00 0.00 C ATOM 146 CD2 PHE A 9 -1.854 2.442 -7.870 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.860 3.675 -6.478 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.130 2.458 -8.384 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.136 3.076 -7.685 1.00 0.00 C ATOM 0 H PHE A 9 2.044 1.867 -5.318 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.399 2.903 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.198 4.045 -6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.492 2.537 -6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.373 4.126 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.066 1.958 -8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.650 4.165 -5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.339 1.986 -9.333 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.141 3.092 -8.081 1.00 0.00 H new ATOM 159 N VAL A 10 -1.544 0.736 -3.942 1.00 0.00 N ATOM 160 CA VAL A 10 -2.202 -0.539 -3.847 1.00 0.00 C ATOM 161 C VAL A 10 -3.692 -0.338 -4.066 1.00 0.00 C ATOM 162 O VAL A 10 -4.367 0.299 -3.270 1.00 0.00 O ATOM 163 CB VAL A 10 -1.971 -1.222 -2.459 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.566 -2.624 -2.436 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.490 -1.277 -2.104 1.00 0.00 C ATOM 0 H VAL A 10 -1.923 1.458 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.780 -1.194 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.478 -0.613 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.392 -3.077 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.638 -2.567 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.094 -3.232 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.366 -1.758 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.045 -1.848 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.088 -0.265 -2.061 1.00 0.00 H new ATOM 175 N GLY A 11 -4.183 -0.866 -5.138 1.00 0.00 N ATOM 176 CA GLY A 11 -5.571 -0.765 -5.456 1.00 0.00 C ATOM 177 C GLY A 11 -6.221 -2.114 -5.531 1.00 0.00 C ATOM 178 O GLY A 11 -5.529 -3.143 -5.565 1.00 0.00 O ATOM 0 H GLY A 11 -3.631 -1.383 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.074 -0.160 -4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.690 -0.250 -6.409 1.00 0.00 H new ATOM 182 N GLY A 12 -7.535 -2.122 -5.541 1.00 0.00 N ATOM 183 CA GLY A 12 -8.266 -3.356 -5.634 1.00 0.00 C ATOM 184 C GLY A 12 -8.409 -3.994 -4.286 1.00 0.00 C ATOM 185 O GLY A 12 -8.285 -5.207 -4.156 1.00 0.00 O ATOM 0 H GLY A 12 -8.115 -1.285 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.252 -3.168 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.752 -4.038 -6.311 1.00 0.00 H new ATOM 189 N LEU A 13 -8.676 -3.165 -3.300 1.00 0.00 N ATOM 190 CA LEU A 13 -8.807 -3.572 -1.910 1.00 0.00 C ATOM 191 C LEU A 13 -10.249 -3.972 -1.618 1.00 0.00 C ATOM 192 O LEU A 13 -11.120 -3.862 -2.489 1.00 0.00 O ATOM 193 CB LEU A 13 -8.398 -2.412 -0.994 1.00 0.00 C ATOM 194 CG LEU A 13 -6.994 -1.826 -1.211 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.770 -0.652 -0.301 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.926 -2.863 -0.964 1.00 0.00 C ATOM 0 H LEU A 13 -8.812 -2.164 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.156 -4.427 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.125 -1.609 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.469 -2.752 0.039 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.929 -1.499 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.771 -0.248 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.512 0.118 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.864 -0.973 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.944 -2.419 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.998 -3.222 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.064 -3.698 -1.651 1.00 0.00 H new ATOM 208 N ALA A 14 -10.504 -4.447 -0.419 1.00 0.00 N ATOM 209 CA ALA A 14 -11.835 -4.828 -0.029 1.00 0.00 C ATOM 210 C ALA A 14 -12.446 -3.723 0.800 1.00 0.00 C ATOM 211 O ALA A 14 -11.755 -2.804 1.227 1.00 0.00 O ATOM 212 CB ALA A 14 -11.822 -6.126 0.768 1.00 0.00 C ATOM 0 H ALA A 14 -9.798 -4.578 0.305 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.429 -4.990 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.841 -6.390 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.396 -6.923 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.220 -5.995 1.667 1.00 0.00 H new ATOM 218 N TRP A 15 -13.728 -3.838 1.071 1.00 0.00 N ATOM 219 CA TRP A 15 -14.445 -2.837 1.857 1.00 0.00 C ATOM 220 C TRP A 15 -14.145 -3.004 3.346 1.00 0.00 C ATOM 221 O TRP A 15 -14.561 -2.202 4.165 1.00 0.00 O ATOM 222 CB TRP A 15 -15.960 -2.944 1.618 1.00 0.00 C ATOM 223 CG TRP A 15 -16.354 -2.866 0.172 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.783 -3.898 -0.615 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.338 -1.702 -0.669 1.00 0.00 C ATOM 226 NE1 TRP A 15 -17.044 -3.446 -1.884 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.778 -2.104 -1.945 1.00 0.00 C ATOM 228 CE3 TRP A 15 -16.000 -0.363 -0.466 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -16.886 -1.215 -3.010 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -16.107 0.518 -1.527 1.00 0.00 C ATOM 231 CH2 TRP A 15 -16.546 0.088 -2.782 1.00 0.00 C ATOM 0 H TRP A 15 -14.306 -4.619 0.759 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.105 -1.852 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.318 -3.887 2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.462 -2.146 2.165 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.900 -4.920 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.382 -4.018 -2.658 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.661 -0.021 0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.226 -1.543 -3.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -15.847 1.556 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.618 0.802 -3.589 1.00 0.00 H new ATOM 242 N ALA A 16 -13.435 -4.068 3.675 1.00 0.00 N ATOM 243 CA ALA A 16 -13.081 -4.363 5.048 1.00 0.00 C ATOM 244 C ALA A 16 -11.590 -4.160 5.275 1.00 0.00 C ATOM 245 O ALA A 16 -11.102 -4.319 6.386 1.00 0.00 O ATOM 246 CB ALA A 16 -13.485 -5.789 5.398 1.00 0.00 C ATOM 0 H ALA A 16 -13.089 -4.749 2.999 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.620 -3.676 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.214 -6.000 6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.562 -5.903 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.968 -6.486 4.738 1.00 0.00 H new ATOM 252 N THR A 17 -10.884 -3.786 4.220 1.00 0.00 N ATOM 253 CA THR A 17 -9.459 -3.589 4.295 1.00 0.00 C ATOM 254 C THR A 17 -9.151 -2.311 5.072 1.00 0.00 C ATOM 255 O THR A 17 -9.626 -1.226 4.718 1.00 0.00 O ATOM 256 CB THR A 17 -8.847 -3.508 2.873 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.210 -4.688 2.131 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.327 -3.416 2.933 1.00 0.00 C ATOM 0 H THR A 17 -11.285 -3.614 3.298 1.00 0.00 H new ATOM 0 HA THR A 17 -9.016 -4.438 4.815 1.00 0.00 H new ATOM 0 HB THR A 17 -9.234 -2.613 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.445 -4.986 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.926 -3.360 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.038 -2.523 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.929 -4.299 3.433 1.00 0.00 H new ATOM 266 N THR A 18 -8.390 -2.438 6.129 1.00 0.00 N ATOM 267 CA THR A 18 -8.040 -1.296 6.922 1.00 0.00 C ATOM 268 C THR A 18 -6.634 -0.851 6.567 1.00 0.00 C ATOM 269 O THR A 18 -5.860 -1.620 5.986 1.00 0.00 O ATOM 270 CB THR A 18 -8.132 -1.588 8.444 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.213 -2.622 8.823 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.546 -2.000 8.835 1.00 0.00 C ATOM 0 H THR A 18 -8.003 -3.323 6.457 1.00 0.00 H new ATOM 0 HA THR A 18 -8.755 -0.504 6.700 1.00 0.00 H new ATOM 0 HB THR A 18 -7.871 -0.669 8.970 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.099 -3.248 8.078 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.584 -2.199 9.906 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.240 -1.196 8.591 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.827 -2.900 8.289 1.00 0.00 H new ATOM 280 N ASP A 19 -6.291 0.375 6.900 1.00 0.00 N ATOM 281 CA ASP A 19 -4.961 0.884 6.617 1.00 0.00 C ATOM 282 C ASP A 19 -3.975 0.267 7.585 1.00 0.00 C ATOM 283 O ASP A 19 -2.778 0.165 7.303 1.00 0.00 O ATOM 284 CB ASP A 19 -4.925 2.425 6.641 1.00 0.00 C ATOM 285 CG ASP A 19 -5.261 3.057 7.974 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.218 2.579 8.626 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -4.579 4.057 8.354 1.00 0.00 O ATOM 0 H ASP A 19 -6.911 1.038 7.366 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.674 0.597 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.930 2.754 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.623 2.800 5.893 1.00 0.00 H new ATOM 292 N GLN A 20 -4.520 -0.182 8.699 1.00 0.00 N ATOM 293 CA GLN A 20 -3.807 -0.921 9.718 1.00 0.00 C ATOM 294 C GLN A 20 -3.333 -2.269 9.134 1.00 0.00 C ATOM 295 O GLN A 20 -2.122 -2.504 9.018 1.00 0.00 O ATOM 296 CB GLN A 20 -4.762 -1.112 10.923 1.00 0.00 C ATOM 297 CG GLN A 20 -4.211 -1.858 12.141 1.00 0.00 C ATOM 298 CD GLN A 20 -2.902 -1.294 12.655 1.00 0.00 C ATOM 299 OE1 GLN A 20 -2.880 -0.360 13.453 1.00 0.00 O ATOM 300 NE2 GLN A 20 -1.828 -1.923 12.294 1.00 0.00 N ATOM 0 H GLN A 20 -5.504 -0.037 8.925 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.920 -0.384 10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.093 -0.127 11.251 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.646 -1.644 10.572 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.950 -1.826 12.941 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.068 -2.907 11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.888 -2.694 11.629 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.923 -1.647 12.675 1.00 0.00 H new ATOM 309 N THR A 21 -4.283 -3.093 8.672 1.00 0.00 N ATOM 310 CA THR A 21 -3.966 -4.407 8.109 1.00 0.00 C ATOM 311 C THR A 21 -3.103 -4.290 6.845 1.00 0.00 C ATOM 312 O THR A 21 -2.172 -5.088 6.626 1.00 0.00 O ATOM 313 CB THR A 21 -5.258 -5.231 7.827 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.226 -4.426 7.109 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.873 -5.732 9.126 1.00 0.00 C ATOM 0 H THR A 21 -5.278 -2.870 8.678 1.00 0.00 H new ATOM 0 HA THR A 21 -3.383 -4.944 8.857 1.00 0.00 H new ATOM 0 HB THR A 21 -4.982 -6.089 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.920 -5.007 6.733 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.774 -6.305 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.157 -6.368 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.129 -4.882 9.759 1.00 0.00 H new ATOM 323 N LEU A 22 -3.391 -3.266 6.040 1.00 0.00 N ATOM 324 CA LEU A 22 -2.632 -2.976 4.829 1.00 0.00 C ATOM 325 C LEU A 22 -1.163 -2.704 5.178 1.00 0.00 C ATOM 326 O LEU A 22 -0.254 -3.168 4.497 1.00 0.00 O ATOM 327 CB LEU A 22 -3.230 -1.749 4.116 1.00 0.00 C ATOM 328 CG LEU A 22 -2.608 -1.358 2.769 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.881 -2.418 1.716 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.122 -0.006 2.314 1.00 0.00 C ATOM 0 H LEU A 22 -4.158 -2.616 6.212 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.686 -3.840 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.293 -1.933 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.150 -0.894 4.787 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.529 -1.287 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.430 -2.117 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.453 -3.368 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.957 -2.531 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.669 0.252 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.206 -0.047 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.862 0.750 3.055 1.00 0.00 H new ATOM 342 N GLY A 23 -0.950 -1.979 6.262 1.00 0.00 N ATOM 343 CA GLY A 23 0.384 -1.637 6.680 1.00 0.00 C ATOM 344 C GLY A 23 1.148 -2.826 7.196 1.00 0.00 C ATOM 345 O GLY A 23 2.287 -3.043 6.802 1.00 0.00 O ATOM 0 H GLY A 23 -1.690 -1.619 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.923 -1.199 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.334 -0.876 7.458 1.00 0.00 H new ATOM 349 N GLU A 24 0.505 -3.614 8.039 1.00 0.00 N ATOM 350 CA GLU A 24 1.119 -4.784 8.671 1.00 0.00 C ATOM 351 C GLU A 24 1.642 -5.784 7.652 1.00 0.00 C ATOM 352 O GLU A 24 2.765 -6.277 7.785 1.00 0.00 O ATOM 353 CB GLU A 24 0.129 -5.438 9.610 1.00 0.00 C ATOM 354 CG GLU A 24 -0.202 -4.570 10.799 1.00 0.00 C ATOM 355 CD GLU A 24 -1.373 -5.079 11.579 1.00 0.00 C ATOM 356 OE1 GLU A 24 -1.212 -6.027 12.356 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 -2.469 -4.507 11.409 1.00 0.00 O ATOM 0 H GLU A 24 -0.467 -3.465 8.311 1.00 0.00 H new ATOM 0 HA GLU A 24 1.982 -4.440 9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.787 -5.666 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.537 -6.387 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.667 -4.511 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.412 -3.557 10.456 1.00 0.00 H new ATOM 364 N ALA A 25 0.857 -6.025 6.612 1.00 0.00 N ATOM 365 CA ALA A 25 1.223 -6.962 5.556 1.00 0.00 C ATOM 366 C ALA A 25 2.555 -6.576 4.900 1.00 0.00 C ATOM 367 O ALA A 25 3.421 -7.421 4.668 1.00 0.00 O ATOM 368 CB ALA A 25 0.119 -7.020 4.513 1.00 0.00 C ATOM 0 H ALA A 25 -0.050 -5.578 6.475 1.00 0.00 H new ATOM 0 HA ALA A 25 1.349 -7.947 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.398 -7.721 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.808 -7.350 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.026 -6.030 4.081 1.00 0.00 H new ATOM 374 N PHE A 26 2.731 -5.298 4.645 1.00 0.00 N ATOM 375 CA PHE A 26 3.936 -4.826 3.995 1.00 0.00 C ATOM 376 C PHE A 26 5.042 -4.503 4.999 1.00 0.00 C ATOM 377 O PHE A 26 6.218 -4.383 4.632 1.00 0.00 O ATOM 378 CB PHE A 26 3.640 -3.633 3.098 1.00 0.00 C ATOM 379 CG PHE A 26 2.664 -3.944 1.991 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.996 -4.834 0.985 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.417 -3.359 1.967 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.102 -5.128 -0.023 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.517 -3.649 0.964 1.00 0.00 C ATOM 384 CZ PHE A 26 0.859 -4.533 -0.032 1.00 0.00 C ATOM 0 H PHE A 26 2.057 -4.568 4.877 1.00 0.00 H new ATOM 0 HA PHE A 26 4.304 -5.639 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.242 -2.821 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.573 -3.276 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.968 -5.305 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.141 -2.663 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.375 -5.823 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.457 -3.182 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.155 -4.760 -0.819 1.00 0.00 H new ATOM 394 N SER A 27 4.673 -4.411 6.267 1.00 0.00 N ATOM 395 CA SER A 27 5.613 -4.115 7.339 1.00 0.00 C ATOM 396 C SER A 27 6.518 -5.318 7.589 1.00 0.00 C ATOM 397 O SER A 27 7.534 -5.215 8.272 1.00 0.00 O ATOM 398 CB SER A 27 4.867 -3.712 8.626 1.00 0.00 C ATOM 399 OG SER A 27 5.764 -3.312 9.650 1.00 0.00 O ATOM 0 H SER A 27 3.712 -4.540 6.583 1.00 0.00 H new ATOM 0 HA SER A 27 6.233 -3.271 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.178 -2.896 8.407 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.266 -4.551 8.976 1.00 0.00 H new ATOM 0 HG SER A 27 6.620 -3.776 9.535 1.00 0.00 H new ATOM 405 N GLN A 28 6.127 -6.452 7.032 1.00 0.00 N ATOM 406 CA GLN A 28 6.903 -7.674 7.115 1.00 0.00 C ATOM 407 C GLN A 28 8.097 -7.604 6.160 1.00 0.00 C ATOM 408 O GLN A 28 8.992 -8.439 6.210 1.00 0.00 O ATOM 409 CB GLN A 28 6.026 -8.869 6.738 1.00 0.00 C ATOM 410 CG GLN A 28 4.792 -9.047 7.614 1.00 0.00 C ATOM 411 CD GLN A 28 3.901 -10.195 7.159 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.489 -11.214 6.575 1.00 0.00 O flip ATOM 413 NE2 GLN A 28 2.696 -10.169 7.337 1.00 0.00 N flip ATOM 0 H GLN A 28 5.258 -6.549 6.507 1.00 0.00 H new ATOM 0 HA GLN A 28 7.265 -7.792 8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.707 -8.757 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.628 -9.776 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.106 -9.223 8.643 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.214 -8.123 7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.265 -9.365 7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.118 -10.951 7.030 1.00 0.00 H new ATOM 422 N PHE A 29 8.079 -6.612 5.284 1.00 0.00 N ATOM 423 CA PHE A 29 9.120 -6.440 4.289 1.00 0.00 C ATOM 424 C PHE A 29 9.903 -5.170 4.537 1.00 0.00 C ATOM 425 O PHE A 29 11.128 -5.162 4.450 1.00 0.00 O ATOM 426 CB PHE A 29 8.523 -6.430 2.876 1.00 0.00 C ATOM 427 CG PHE A 29 7.880 -7.730 2.496 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.559 -7.992 2.819 1.00 0.00 C ATOM 429 CD2 PHE A 29 8.607 -8.698 1.829 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.982 -9.192 2.487 1.00 0.00 C ATOM 431 CE2 PHE A 29 8.033 -9.902 1.489 1.00 0.00 C ATOM 432 CZ PHE A 29 6.719 -10.151 1.819 1.00 0.00 C ATOM 0 H PHE A 29 7.344 -5.906 5.244 1.00 0.00 H new ATOM 0 HA PHE A 29 9.804 -7.285 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.783 -5.633 2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.310 -6.198 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.977 -7.244 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.638 -8.507 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.952 -9.387 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.611 -10.649 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.265 -11.095 1.556 1.00 0.00 H new ATOM 442 N GLY A 30 9.207 -4.098 4.846 1.00 0.00 N ATOM 443 CA GLY A 30 9.883 -2.864 5.082 1.00 0.00 C ATOM 444 C GLY A 30 9.206 -2.034 6.111 1.00 0.00 C ATOM 445 O GLY A 30 8.053 -2.289 6.466 1.00 0.00 O ATOM 0 H GLY A 30 8.192 -4.065 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.906 -3.068 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.945 -2.303 4.150 1.00 0.00 H new ATOM 449 N GLU A 31 9.912 -1.044 6.581 1.00 0.00 N ATOM 450 CA GLU A 31 9.406 -0.136 7.562 1.00 0.00 C ATOM 451 C GLU A 31 8.438 0.836 6.909 1.00 0.00 C ATOM 452 O GLU A 31 8.789 1.562 5.951 1.00 0.00 O ATOM 453 CB GLU A 31 10.562 0.582 8.226 1.00 0.00 C ATOM 454 CG GLU A 31 11.481 -0.351 9.003 1.00 0.00 C ATOM 455 CD GLU A 31 12.706 0.350 9.513 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.595 1.137 10.451 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 13.789 0.176 8.903 1.00 0.00 O ATOM 0 H GLU A 31 10.868 -0.846 6.287 1.00 0.00 H new ATOM 0 HA GLU A 31 8.860 -0.680 8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.143 1.103 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.169 1.341 8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.934 -0.779 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.780 -1.180 8.361 1.00 0.00 H new ATOM 464 N ILE A 32 7.231 0.819 7.399 1.00 0.00 N ATOM 465 CA ILE A 32 6.157 1.618 6.871 1.00 0.00 C ATOM 466 C ILE A 32 6.124 2.950 7.602 1.00 0.00 C ATOM 467 O ILE A 32 6.272 2.991 8.816 1.00 0.00 O ATOM 468 CB ILE A 32 4.786 0.891 7.075 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.826 -0.545 6.522 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.638 1.668 6.436 1.00 0.00 C ATOM 471 CD1 ILE A 32 5.146 -0.646 5.047 1.00 0.00 C ATOM 0 H ILE A 32 6.959 0.239 8.192 1.00 0.00 H new ATOM 0 HA ILE A 32 6.322 1.774 5.805 1.00 0.00 H new ATOM 0 HB ILE A 32 4.609 0.843 8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.569 -1.114 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.860 -1.017 6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.702 1.133 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.573 2.658 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.818 1.769 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.152 -1.694 4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.391 -0.109 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.126 -0.208 4.856 1.00 0.00 H new ATOM 483 N LEU A 33 5.970 4.020 6.864 1.00 0.00 N ATOM 484 CA LEU A 33 5.851 5.332 7.457 1.00 0.00 C ATOM 485 C LEU A 33 4.387 5.607 7.746 1.00 0.00 C ATOM 486 O LEU A 33 4.044 6.149 8.786 1.00 0.00 O ATOM 487 CB LEU A 33 6.449 6.412 6.542 1.00 0.00 C ATOM 488 CG LEU A 33 7.944 6.256 6.195 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.420 7.403 5.317 1.00 0.00 C ATOM 490 CD2 LEU A 33 8.793 6.169 7.458 1.00 0.00 C ATOM 0 H LEU A 33 5.924 4.010 5.845 1.00 0.00 H new ATOM 0 HA LEU A 33 6.415 5.360 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.881 6.427 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.307 7.382 7.018 1.00 0.00 H new ATOM 0 HG LEU A 33 8.060 5.325 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.477 7.270 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.845 7.415 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.280 8.347 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.842 6.059 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.664 7.078 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.480 5.308 8.048 1.00 0.00 H new ATOM 502 N ASP A 34 3.538 5.198 6.808 1.00 0.00 N ATOM 503 CA ASP A 34 2.082 5.288 6.931 1.00 0.00 C ATOM 504 C ASP A 34 1.467 4.518 5.779 1.00 0.00 C ATOM 505 O ASP A 34 2.069 4.415 4.699 1.00 0.00 O ATOM 506 CB ASP A 34 1.570 6.748 6.903 1.00 0.00 C ATOM 507 CG ASP A 34 0.054 6.846 7.148 1.00 0.00 C ATOM 508 OD1 ASP A 34 -0.389 6.937 8.318 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 -0.720 6.799 6.181 1.00 0.00 O ATOM 0 H ASP A 34 3.845 4.788 5.926 1.00 0.00 H new ATOM 0 HA ASP A 34 1.793 4.870 7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.096 7.328 7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.808 7.195 5.938 1.00 0.00 H new ATOM 514 N SER A 35 0.345 3.931 6.015 1.00 0.00 N ATOM 515 CA SER A 35 -0.394 3.221 5.021 1.00 0.00 C ATOM 516 C SER A 35 -1.829 3.692 5.090 1.00 0.00 C ATOM 517 O SER A 35 -2.325 3.944 6.177 1.00 0.00 O ATOM 518 CB SER A 35 -0.264 1.720 5.278 1.00 0.00 C ATOM 519 OG SER A 35 -0.400 1.430 6.668 1.00 0.00 O ATOM 0 H SER A 35 -0.100 3.930 6.933 1.00 0.00 H new ATOM 0 HA SER A 35 -0.012 3.412 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.026 1.183 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.704 1.368 4.922 1.00 0.00 H new ATOM 0 HG SER A 35 -1.229 0.930 6.818 1.00 0.00 H new ATOM 525 N LYS A 36 -2.487 3.852 3.955 1.00 0.00 N ATOM 526 CA LYS A 36 -3.844 4.377 3.944 1.00 0.00 C ATOM 527 C LYS A 36 -4.747 3.703 2.980 1.00 0.00 C ATOM 528 O LYS A 36 -4.321 3.249 1.930 1.00 0.00 O ATOM 529 CB LYS A 36 -3.866 5.877 3.641 1.00 0.00 C ATOM 530 CG LYS A 36 -3.466 6.730 4.798 1.00 0.00 C ATOM 531 CD LYS A 36 -4.514 6.686 5.893 1.00 0.00 C ATOM 532 CE LYS A 36 -3.940 7.179 7.181 1.00 0.00 C ATOM 533 NZ LYS A 36 -2.943 6.218 7.721 1.00 0.00 N1+ ATOM 0 H LYS A 36 -2.108 3.628 3.035 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.214 4.180 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.198 6.079 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.870 6.159 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.509 6.389 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.326 7.758 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.370 7.298 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.878 5.666 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.468 8.149 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.739 7.326 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.178 6.740 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.405 5.586 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.547 5.654 6.942 1.00 0.00 H new ATOM 547 N ILE A 37 -5.996 3.646 3.365 1.00 0.00 N ATOM 548 CA ILE A 37 -7.069 3.261 2.499 1.00 0.00 C ATOM 549 C ILE A 37 -7.691 4.568 2.121 1.00 0.00 C ATOM 550 O ILE A 37 -8.140 5.316 3.004 1.00 0.00 O ATOM 551 CB ILE A 37 -8.155 2.421 3.232 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.538 1.232 3.960 1.00 0.00 C ATOM 553 CG2 ILE A 37 -9.243 1.951 2.253 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.806 0.260 3.076 1.00 0.00 C ATOM 0 H ILE A 37 -6.297 3.872 4.313 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.703 2.654 1.671 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.621 3.066 3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.847 1.606 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.328 0.697 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.989 1.366 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.721 2.818 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.791 1.335 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.402 -0.551 3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.494 -0.149 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.990 0.774 2.568 1.00 0.00 H new ATOM 566 N ILE A 38 -7.679 4.901 0.882 1.00 0.00 N ATOM 567 CA ILE A 38 -8.205 6.160 0.496 1.00 0.00 C ATOM 568 C ILE A 38 -9.692 6.045 0.281 1.00 0.00 C ATOM 569 O ILE A 38 -10.178 5.514 -0.724 1.00 0.00 O ATOM 570 CB ILE A 38 -7.452 6.790 -0.705 1.00 0.00 C ATOM 571 CG1 ILE A 38 -5.949 6.991 -0.336 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.094 8.113 -1.136 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.689 7.812 0.946 1.00 0.00 C ATOM 0 H ILE A 38 -7.314 4.326 0.123 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.040 6.865 1.311 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.520 6.109 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.486 6.011 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.450 7.483 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.542 8.528 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.128 7.936 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.069 8.817 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.615 7.894 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.116 8.809 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.153 7.314 1.797 1.00 0.00 H new ATOM 585 N ASN A 39 -10.396 6.463 1.287 1.00 0.00 N ATOM 586 CA ASN A 39 -11.826 6.399 1.322 1.00 0.00 C ATOM 587 C ASN A 39 -12.443 7.569 0.609 1.00 0.00 C ATOM 588 O ASN A 39 -11.763 8.550 0.273 1.00 0.00 O ATOM 589 CB ASN A 39 -12.351 6.310 2.765 1.00 0.00 C ATOM 590 CG ASN A 39 -11.959 5.016 3.465 1.00 0.00 C ATOM 591 OD1 ASN A 39 -11.803 3.980 2.835 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.803 5.067 4.767 1.00 0.00 N ATOM 0 H ASN A 39 -9.983 6.868 2.127 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.120 5.489 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.969 7.156 3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.438 6.396 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.544 4.226 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.941 5.948 5.263 1.00 0.00 H new ATOM 706 N ARG A 47 -12.855 4.031 -1.691 1.00 0.00 N ATOM 707 CA ARG A 47 -12.539 4.070 -3.100 1.00 0.00 C ATOM 708 C ARG A 47 -11.798 2.810 -3.528 1.00 0.00 C ATOM 709 O ARG A 47 -11.373 2.680 -4.671 1.00 0.00 O ATOM 710 CB ARG A 47 -11.798 5.365 -3.456 1.00 0.00 C ATOM 711 CG ARG A 47 -12.667 6.584 -3.203 1.00 0.00 C ATOM 712 CD ARG A 47 -11.996 7.912 -3.515 1.00 0.00 C ATOM 713 NE ARG A 47 -12.981 8.995 -3.379 1.00 0.00 N ATOM 714 CZ ARG A 47 -12.789 10.240 -2.936 1.00 0.00 C ATOM 715 NH1 ARG A 47 -11.583 10.669 -2.567 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -13.841 11.030 -2.843 1.00 0.00 N ATOM 0 HA ARG A 47 -13.467 4.082 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.884 5.438 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.499 5.340 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.573 6.499 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.976 6.584 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.159 8.078 -2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.589 7.899 -4.526 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.935 8.766 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.780 10.042 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.462 11.625 -2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.764 10.684 -3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.732 11.987 -2.508 1.00 0.00 H new ATOM 730 N GLY A 48 -11.649 1.886 -2.578 1.00 0.00 N ATOM 731 CA GLY A 48 -11.105 0.570 -2.864 1.00 0.00 C ATOM 732 C GLY A 48 -9.629 0.547 -3.201 1.00 0.00 C ATOM 733 O GLY A 48 -9.145 -0.411 -3.825 1.00 0.00 O ATOM 0 H GLY A 48 -11.901 2.032 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.275 -0.072 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.659 0.137 -3.697 1.00 0.00 H new ATOM 737 N PHE A 49 -8.903 1.563 -2.809 1.00 0.00 N ATOM 738 CA PHE A 49 -7.484 1.590 -3.057 1.00 0.00 C ATOM 739 C PHE A 49 -6.814 2.409 -1.979 1.00 0.00 C ATOM 740 O PHE A 49 -7.494 3.077 -1.191 1.00 0.00 O ATOM 741 CB PHE A 49 -7.148 2.157 -4.465 1.00 0.00 C ATOM 742 CG PHE A 49 -7.292 3.645 -4.614 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.482 4.217 -5.010 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.212 4.461 -4.356 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.594 5.589 -5.143 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.308 5.829 -4.483 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.504 6.398 -4.876 1.00 0.00 C ATOM 0 H PHE A 49 -9.269 2.379 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.109 0.567 -3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.123 1.882 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.794 1.672 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.335 3.588 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.275 4.021 -4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.530 6.028 -5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.452 6.454 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.588 7.470 -4.974 1.00 0.00 H new ATOM 757 N GLY A 50 -5.516 2.354 -1.932 1.00 0.00 N ATOM 758 CA GLY A 50 -4.792 3.120 -0.993 1.00 0.00 C ATOM 759 C GLY A 50 -3.341 3.236 -1.360 1.00 0.00 C ATOM 760 O GLY A 50 -2.933 2.866 -2.470 1.00 0.00 O ATOM 0 H GLY A 50 -4.942 1.776 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.229 4.116 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.881 2.664 -0.007 1.00 0.00 H new ATOM 764 N PHE A 51 -2.566 3.724 -0.439 1.00 0.00 N ATOM 765 CA PHE A 51 -1.151 3.924 -0.627 1.00 0.00 C ATOM 766 C PHE A 51 -0.417 3.420 0.580 1.00 0.00 C ATOM 767 O PHE A 51 -0.953 3.438 1.690 1.00 0.00 O ATOM 768 CB PHE A 51 -0.801 5.411 -0.839 1.00 0.00 C ATOM 769 CG PHE A 51 -1.295 6.014 -2.126 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.572 5.857 -3.297 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.466 6.753 -2.161 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.008 6.422 -4.478 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.909 7.318 -3.341 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.179 7.154 -4.502 1.00 0.00 C ATOM 0 H PHE A 51 -2.901 4.001 0.484 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.854 3.376 -1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.211 5.985 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.283 5.521 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.344 5.285 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.039 6.889 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.434 6.292 -5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.826 7.888 -3.356 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.523 7.597 -5.425 1.00 0.00 H new ATOM 784 N VAL A 52 0.772 2.945 0.368 1.00 0.00 N ATOM 785 CA VAL A 52 1.619 2.485 1.441 1.00 0.00 C ATOM 786 C VAL A 52 2.955 3.187 1.308 1.00 0.00 C ATOM 787 O VAL A 52 3.643 3.018 0.306 1.00 0.00 O ATOM 788 CB VAL A 52 1.845 0.943 1.395 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.674 0.482 2.583 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.525 0.193 1.353 1.00 0.00 C ATOM 0 H VAL A 52 1.191 2.862 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 52 1.134 2.713 2.390 1.00 0.00 H new ATOM 0 HB VAL A 52 2.393 0.719 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.818 -0.597 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.644 0.979 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.155 0.733 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.717 -0.880 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.057 0.431 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.033 0.488 0.464 1.00 0.00 H new ATOM 800 N THR A 53 3.286 4.001 2.258 1.00 0.00 N ATOM 801 CA THR A 53 4.523 4.713 2.238 1.00 0.00 C ATOM 802 C THR A 53 5.608 3.961 3.010 1.00 0.00 C ATOM 803 O THR A 53 5.499 3.750 4.219 1.00 0.00 O ATOM 804 CB THR A 53 4.344 6.151 2.778 1.00 0.00 C ATOM 805 OG1 THR A 53 3.470 6.877 1.897 1.00 0.00 O ATOM 806 CG2 THR A 53 5.676 6.860 2.850 1.00 0.00 C ATOM 0 H THR A 53 2.703 4.192 3.073 1.00 0.00 H new ATOM 0 HA THR A 53 4.849 4.786 1.200 1.00 0.00 H new ATOM 0 HB THR A 53 3.917 6.102 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.998 7.492 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.530 7.870 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.344 6.313 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.116 6.909 1.854 1.00 0.00 H new ATOM 814 N PHE A 54 6.618 3.544 2.296 1.00 0.00 N ATOM 815 CA PHE A 54 7.754 2.855 2.849 1.00 0.00 C ATOM 816 C PHE A 54 8.882 3.831 3.052 1.00 0.00 C ATOM 817 O PHE A 54 8.898 4.923 2.464 1.00 0.00 O ATOM 818 CB PHE A 54 8.270 1.793 1.870 1.00 0.00 C ATOM 819 CG PHE A 54 7.375 0.613 1.621 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.325 0.704 0.726 1.00 0.00 C ATOM 821 CD2 PHE A 54 7.602 -0.596 2.259 1.00 0.00 C ATOM 822 CE1 PHE A 54 5.518 -0.378 0.476 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.794 -1.680 2.011 1.00 0.00 C ATOM 824 CZ PHE A 54 5.749 -1.566 1.118 1.00 0.00 C ATOM 0 H PHE A 54 6.676 3.677 1.286 1.00 0.00 H new ATOM 0 HA PHE A 54 7.441 2.396 3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.467 2.278 0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.225 1.423 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.137 1.638 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.421 -0.687 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.702 -0.293 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.977 -2.618 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.111 -2.416 0.924 1.00 0.00 H new ATOM 834 N LYS A 55 9.808 3.457 3.882 1.00 0.00 N ATOM 835 CA LYS A 55 11.028 4.202 4.031 1.00 0.00 C ATOM 836 C LYS A 55 12.033 3.734 2.984 1.00 0.00 C ATOM 837 O LYS A 55 12.720 4.524 2.362 1.00 0.00 O ATOM 838 CB LYS A 55 11.604 4.014 5.455 1.00 0.00 C ATOM 839 CG LYS A 55 13.052 4.499 5.619 1.00 0.00 C ATOM 840 CD LYS A 55 13.546 4.448 7.066 1.00 0.00 C ATOM 841 CE LYS A 55 13.408 3.069 7.718 1.00 0.00 C ATOM 842 NZ LYS A 55 14.171 1.978 7.044 1.00 0.00 N1+ ATOM 0 H LYS A 55 9.743 2.630 4.475 1.00 0.00 H new ATOM 0 HA LYS A 55 10.824 5.263 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.971 4.548 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.555 2.957 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.706 3.887 4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.129 5.522 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.593 4.749 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.989 5.176 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.739 3.138 8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.353 2.796 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.495 1.291 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.557 1.500 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.994 2.382 6.553 1.00 0.00 H new ATOM 856 N ASP A 56 12.054 2.452 2.766 1.00 0.00 N ATOM 857 CA ASP A 56 13.070 1.835 1.945 1.00 0.00 C ATOM 858 C ASP A 56 12.493 1.463 0.600 1.00 0.00 C ATOM 859 O ASP A 56 11.385 0.913 0.517 1.00 0.00 O ATOM 860 CB ASP A 56 13.599 0.594 2.666 1.00 0.00 C ATOM 861 CG ASP A 56 13.891 0.882 4.128 1.00 0.00 C ATOM 862 OD1 ASP A 56 14.972 1.372 4.457 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 12.979 0.686 4.976 1.00 0.00 O ATOM 0 H ASP A 56 11.370 1.799 3.149 1.00 0.00 H new ATOM 0 HA ASP A 56 13.890 2.534 1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.868 -0.211 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.507 0.246 2.174 1.00 0.00 H new ATOM 868 N GLU A 57 13.247 1.714 -0.440 1.00 0.00 N ATOM 869 CA GLU A 57 12.792 1.496 -1.797 1.00 0.00 C ATOM 870 C GLU A 57 12.910 0.045 -2.179 1.00 0.00 C ATOM 871 O GLU A 57 12.047 -0.481 -2.883 1.00 0.00 O ATOM 872 CB GLU A 57 13.512 2.407 -2.828 1.00 0.00 C ATOM 873 CG GLU A 57 15.007 2.171 -3.025 1.00 0.00 C ATOM 874 CD GLU A 57 15.806 2.290 -1.760 1.00 0.00 C ATOM 875 OE1 GLU A 57 15.910 1.293 -1.038 1.00 0.00 O ATOM 876 OE2 GLU A 57 16.306 3.376 -1.473 1.00 0.00 O1- ATOM 0 H GLU A 57 14.198 2.077 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 57 11.739 1.775 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.018 2.286 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.368 3.444 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.157 1.177 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.387 2.888 -3.753 1.00 0.00 H new ATOM 883 N LYS A 58 13.976 -0.621 -1.718 1.00 0.00 N ATOM 884 CA LYS A 58 14.110 -2.038 -1.978 1.00 0.00 C ATOM 885 C LYS A 58 12.953 -2.773 -1.347 1.00 0.00 C ATOM 886 O LYS A 58 12.304 -3.566 -1.997 1.00 0.00 O ATOM 887 CB LYS A 58 15.424 -2.644 -1.463 1.00 0.00 C ATOM 888 CG LYS A 58 15.474 -4.147 -1.747 1.00 0.00 C ATOM 889 CD LYS A 58 16.649 -4.861 -1.119 1.00 0.00 C ATOM 890 CE LYS A 58 16.529 -6.368 -1.367 1.00 0.00 C ATOM 891 NZ LYS A 58 15.311 -6.947 -0.736 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.734 -0.205 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 58 14.114 -2.152 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.270 -2.150 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.516 -2.468 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.552 -4.604 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.505 -4.300 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.582 -4.486 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.679 -4.660 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.505 -6.557 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.413 -6.871 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.589 -7.563 0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.706 -6.179 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.786 -7.503 -1.441 1.00 0.00 H new ATOM 905 N ALA A 59 12.669 -2.436 -0.095 1.00 0.00 N ATOM 906 CA ALA A 59 11.598 -3.074 0.658 1.00 0.00 C ATOM 907 C ALA A 59 10.257 -2.838 -0.012 1.00 0.00 C ATOM 908 O ALA A 59 9.369 -3.687 0.028 1.00 0.00 O ATOM 909 CB ALA A 59 11.580 -2.565 2.076 1.00 0.00 C ATOM 0 H ALA A 59 13.172 -1.716 0.424 1.00 0.00 H new ATOM 0 HA ALA A 59 11.783 -4.148 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.774 -3.051 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.533 -2.789 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.419 -1.487 2.074 1.00 0.00 H new ATOM 915 N MET A 60 10.126 -1.674 -0.635 1.00 0.00 N ATOM 916 CA MET A 60 8.950 -1.347 -1.415 1.00 0.00 C ATOM 917 C MET A 60 8.840 -2.326 -2.588 1.00 0.00 C ATOM 918 O MET A 60 7.781 -2.867 -2.846 1.00 0.00 O ATOM 919 CB MET A 60 9.041 0.092 -1.937 1.00 0.00 C ATOM 920 CG MET A 60 7.849 0.529 -2.773 1.00 0.00 C ATOM 921 SD MET A 60 8.049 2.173 -3.497 1.00 0.00 S ATOM 922 CE MET A 60 9.502 1.923 -4.524 1.00 0.00 C ATOM 0 H MET A 60 10.830 -0.937 -0.611 1.00 0.00 H new ATOM 0 HA MET A 60 8.064 -1.429 -0.786 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.143 0.768 -1.088 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.946 0.193 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.689 -0.195 -3.572 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.954 0.520 -2.150 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.518 2.668 -5.319 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.400 2.024 -3.915 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.471 0.925 -4.962 1.00 0.00 H new ATOM 932 N ARG A 61 9.961 -2.574 -3.257 1.00 0.00 N ATOM 933 CA ARG A 61 10.013 -3.507 -4.390 1.00 0.00 C ATOM 934 C ARG A 61 9.668 -4.919 -3.948 1.00 0.00 C ATOM 935 O ARG A 61 8.835 -5.574 -4.576 1.00 0.00 O ATOM 936 CB ARG A 61 11.384 -3.490 -5.073 1.00 0.00 C ATOM 937 CG ARG A 61 11.757 -2.166 -5.716 1.00 0.00 C ATOM 938 CD ARG A 61 10.763 -1.752 -6.795 1.00 0.00 C ATOM 939 NE ARG A 61 10.666 -2.729 -7.892 1.00 0.00 N ATOM 940 CZ ARG A 61 10.419 -2.416 -9.172 1.00 0.00 C ATOM 941 NH1 ARG A 61 10.152 -1.148 -9.515 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 10.381 -3.379 -10.096 1.00 0.00 N ATOM 0 H ARG A 61 10.857 -2.140 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 61 9.270 -3.174 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.145 -3.747 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.404 -4.267 -5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.803 -1.392 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.753 -2.243 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.779 -1.621 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.058 -0.785 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 61 10.796 -3.714 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.137 -0.419 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.964 -0.912 -10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.540 -4.350 -9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.193 -3.144 -11.071 1.00 0.00 H new ATOM 956 N ASP A 62 10.270 -5.361 -2.826 1.00 0.00 N ATOM 957 CA ASP A 62 10.005 -6.707 -2.253 1.00 0.00 C ATOM 958 C ASP A 62 8.510 -6.872 -2.001 1.00 0.00 C ATOM 959 O ASP A 62 7.937 -7.944 -2.194 1.00 0.00 O ATOM 960 CB ASP A 62 10.756 -6.945 -0.910 1.00 0.00 C ATOM 961 CG ASP A 62 12.281 -6.956 -0.998 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.887 -7.984 -1.379 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 12.926 -5.943 -0.645 1.00 0.00 O ATOM 0 H ASP A 62 10.944 -4.810 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 62 10.366 -7.435 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.456 -6.170 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.427 -7.898 -0.495 1.00 0.00 H new ATOM 968 N ALA A 63 7.881 -5.778 -1.613 1.00 0.00 N ATOM 969 CA ALA A 63 6.472 -5.749 -1.329 1.00 0.00 C ATOM 970 C ALA A 63 5.663 -5.835 -2.622 1.00 0.00 C ATOM 971 O ALA A 63 4.749 -6.636 -2.741 1.00 0.00 O ATOM 972 CB ALA A 63 6.138 -4.466 -0.588 1.00 0.00 C ATOM 0 H ALA A 63 8.346 -4.879 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 63 6.214 -6.607 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.070 -4.439 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.700 -4.428 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.404 -3.609 -1.207 1.00 0.00 H new ATOM 978 N ILE A 64 6.036 -5.030 -3.588 1.00 0.00 N ATOM 979 CA ILE A 64 5.333 -4.946 -4.866 1.00 0.00 C ATOM 980 C ILE A 64 5.425 -6.245 -5.649 1.00 0.00 C ATOM 981 O ILE A 64 4.412 -6.852 -5.993 1.00 0.00 O ATOM 982 CB ILE A 64 5.905 -3.792 -5.732 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.725 -2.459 -5.018 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.233 -3.751 -7.110 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.499 -1.335 -5.637 1.00 0.00 C ATOM 0 H ILE A 64 6.840 -4.407 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 64 4.285 -4.752 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 64 6.969 -3.974 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.666 -2.200 -5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.031 -2.570 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.653 -2.933 -7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.407 -4.694 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.161 -3.596 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.321 -0.418 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.563 -1.572 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.177 -1.196 -6.669 1.00 0.00 H new ATOM 997 N GLU A 65 6.628 -6.668 -5.878 1.00 0.00 N ATOM 998 CA GLU A 65 6.918 -7.783 -6.725 1.00 0.00 C ATOM 999 C GLU A 65 6.681 -9.123 -6.024 1.00 0.00 C ATOM 1000 O GLU A 65 6.587 -10.160 -6.671 1.00 0.00 O ATOM 1001 CB GLU A 65 8.343 -7.611 -7.247 1.00 0.00 C ATOM 1002 CG GLU A 65 8.490 -6.288 -8.005 1.00 0.00 C ATOM 1003 CD GLU A 65 9.904 -5.911 -8.380 1.00 0.00 C ATOM 1004 OE1 GLU A 65 10.627 -5.381 -7.519 1.00 0.00 O ATOM 1005 OE2 GLU A 65 10.264 -6.007 -9.567 1.00 0.00 O1- ATOM 0 H GLU A 65 7.458 -6.237 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 65 6.231 -7.803 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.046 -7.638 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.597 -8.442 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.893 -6.342 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.069 -5.490 -7.394 1.00 0.00 H new ATOM 1012 N GLY A 66 6.580 -9.096 -4.705 1.00 0.00 N ATOM 1013 CA GLY A 66 6.342 -10.318 -3.968 1.00 0.00 C ATOM 1014 C GLY A 66 4.894 -10.499 -3.510 1.00 0.00 C ATOM 1015 O GLY A 66 4.404 -11.617 -3.447 1.00 0.00 O ATOM 0 H GLY A 66 6.658 -8.255 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.623 -11.166 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.993 -10.335 -3.094 1.00 0.00 H new ATOM 1019 N MET A 67 4.200 -9.408 -3.215 1.00 0.00 N ATOM 1020 CA MET A 67 2.845 -9.503 -2.643 1.00 0.00 C ATOM 1021 C MET A 67 1.773 -9.112 -3.646 1.00 0.00 C ATOM 1022 O MET A 67 0.617 -8.891 -3.284 1.00 0.00 O ATOM 1023 CB MET A 67 2.740 -8.636 -1.380 1.00 0.00 C ATOM 1024 CG MET A 67 3.806 -8.951 -0.333 1.00 0.00 C ATOM 1025 SD MET A 67 3.732 -10.647 0.309 1.00 0.00 S ATOM 1026 CE MET A 67 2.278 -10.573 1.336 1.00 0.00 C ATOM 0 H MET A 67 4.538 -8.456 -3.356 1.00 0.00 H new ATOM 0 HA MET A 67 2.674 -10.546 -2.377 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.819 -7.586 -1.662 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.754 -8.774 -0.936 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.790 -8.781 -0.769 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.701 -8.254 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.502 -10.996 2.315 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.967 -9.535 1.452 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.474 -11.143 0.870 1.00 0.00 H new ATOM 1036 N ASN A 68 2.132 -9.045 -4.899 1.00 0.00 N ATOM 1037 CA ASN A 68 1.157 -8.720 -5.932 1.00 0.00 C ATOM 1038 C ASN A 68 0.218 -9.913 -6.124 1.00 0.00 C ATOM 1039 O ASN A 68 0.660 -10.998 -6.476 1.00 0.00 O ATOM 1040 CB ASN A 68 1.854 -8.401 -7.268 1.00 0.00 C ATOM 1041 CG ASN A 68 0.884 -7.911 -8.345 1.00 0.00 C ATOM 1042 OD1 ASN A 68 0.268 -8.688 -9.050 1.00 0.00 O ATOM 1043 ND2 ASN A 68 0.790 -6.609 -8.520 1.00 0.00 N ATOM 0 H ASN A 68 3.080 -9.207 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 68 0.595 -7.840 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.617 -7.641 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.366 -9.294 -7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.192 -6.235 -9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.315 -5.974 -7.918 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.060 -9.726 -5.838 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.016 -10.788 -6.050 1.00 0.00 C ATOM 1052 C GLY A 69 -2.400 -11.515 -4.775 1.00 0.00 C ATOM 1053 O GLY A 69 -3.281 -12.393 -4.798 1.00 0.00 O ATOM 0 H GLY A 69 -1.450 -8.861 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.914 -10.373 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.600 -11.505 -6.758 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.761 -11.159 -3.658 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.064 -11.800 -2.372 1.00 0.00 C ATOM 1059 C GLN A 70 -3.461 -11.456 -1.914 1.00 0.00 C ATOM 1060 O GLN A 70 -4.054 -10.466 -2.365 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.118 -11.353 -1.249 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.168 -9.851 -0.990 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.787 -9.435 0.419 1.00 0.00 C ATOM 1064 OE1 GLN A 70 -0.196 -8.386 0.622 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -1.224 -10.179 1.406 1.00 0.00 N ATOM 0 H GLN A 70 -1.039 -10.440 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.949 -12.869 -2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.376 -11.883 -0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.098 -11.638 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.501 -9.353 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.176 -9.494 -1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.715 -11.051 1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.073 -9.886 2.371 1.00 0.00 H new ATOM 1074 N ASP A 71 -3.958 -12.247 -1.009 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.204 -11.948 -0.366 1.00 0.00 C ATOM 1076 C ASP A 71 -4.885 -11.083 0.815 1.00 0.00 C ATOM 1077 O ASP A 71 -3.908 -11.350 1.545 1.00 0.00 O ATOM 1078 CB ASP A 71 -5.925 -13.206 0.125 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.274 -12.874 0.770 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.304 -12.421 1.950 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.292 -13.041 0.105 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.515 -13.111 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.865 -11.458 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.080 -13.886 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.296 -13.727 0.846 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.611 -10.037 0.956 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.479 -9.163 2.056 1.00 0.00 C ATOM 1088 C LEU A 72 -6.892 -8.734 2.415 1.00 0.00 C ATOM 1089 O LEU A 72 -7.552 -8.030 1.638 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.576 -7.969 1.653 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.879 -7.163 2.774 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -2.886 -6.191 2.167 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -4.872 -6.399 3.628 1.00 0.00 C ATOM 0 H LEU A 72 -6.332 -9.759 0.291 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.005 -9.629 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.802 -8.349 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.183 -7.274 1.073 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.363 -7.877 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.398 -5.626 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.136 -6.743 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.409 -5.504 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.338 -5.848 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.428 -5.700 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.565 -7.099 4.094 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.363 -9.246 3.543 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.709 -8.980 4.091 1.00 0.00 C ATOM 1107 C ASP A 73 -9.820 -9.577 3.217 1.00 0.00 C ATOM 1108 O ASP A 73 -10.946 -9.054 3.177 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.966 -7.469 4.361 1.00 0.00 C ATOM 1110 CG ASP A 73 -8.104 -6.884 5.474 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -7.979 -7.514 6.529 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -7.561 -5.757 5.297 1.00 0.00 O1- ATOM 0 H ASP A 73 -6.814 -9.877 4.127 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.737 -9.486 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.785 -6.910 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.016 -7.329 4.617 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.522 -10.693 2.544 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.533 -11.383 1.752 1.00 0.00 C ATOM 1119 C GLY A 74 -10.592 -10.888 0.329 1.00 0.00 C ATOM 1120 O GLY A 74 -11.601 -11.063 -0.372 1.00 0.00 O ATOM 0 H GLY A 74 -8.600 -11.130 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.322 -12.452 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.509 -11.250 2.220 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.561 -10.212 -0.078 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.472 -9.694 -1.404 1.00 0.00 C ATOM 1126 C ARG A 75 -8.066 -9.838 -1.972 1.00 0.00 C ATOM 1127 O ARG A 75 -7.090 -9.606 -1.279 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.918 -8.235 -1.422 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.630 -7.506 -2.709 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.401 -8.034 -3.898 1.00 0.00 C ATOM 1131 NE ARG A 75 -9.884 -7.430 -5.129 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.199 -7.783 -6.377 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -11.159 -8.695 -6.600 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -9.549 -7.224 -7.406 1.00 0.00 N ATOM 0 H ARG A 75 -8.752 -10.004 0.508 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.137 -10.277 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.990 -8.194 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.426 -7.709 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.864 -6.450 -2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.563 -7.572 -2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.312 -9.119 -3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.461 -7.806 -3.787 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.218 -6.665 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.650 -9.121 -5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.397 -8.962 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.819 -6.533 -7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.784 -7.489 -8.362 1.00 0.00 H new ATOM 1148 N ASN A 76 -7.986 -10.179 -3.243 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.710 -10.234 -3.949 1.00 0.00 C ATOM 1150 C ASN A 76 -6.340 -8.831 -4.325 1.00 0.00 C ATOM 1151 O ASN A 76 -6.994 -8.207 -5.176 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.770 -11.093 -5.217 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.092 -12.537 -4.949 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.251 -12.929 -4.959 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -6.079 -13.340 -4.719 1.00 0.00 N ATOM 0 H ASN A 76 -8.793 -10.425 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.972 -10.692 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.521 -10.680 -5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.812 -11.032 -5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.244 -14.331 -4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.127 -12.973 -4.719 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.341 -8.325 -3.696 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.962 -6.957 -3.875 1.00 0.00 C ATOM 1164 C ILE A 77 -3.862 -6.779 -4.914 1.00 0.00 C ATOM 1165 O ILE A 77 -3.059 -7.685 -5.171 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.652 -6.268 -2.506 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.557 -6.999 -1.718 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.919 -6.234 -1.670 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.142 -6.749 -2.166 1.00 0.00 C ATOM 0 H ILE A 77 -4.757 -8.843 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.822 -6.434 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.293 -5.261 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.640 -6.714 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.751 -8.070 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.711 -5.755 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.688 -5.671 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.269 -7.252 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.456 -7.317 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.028 -7.063 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.916 -5.686 -2.082 1.00 0.00 H new ATOM 1181 N THR A 78 -3.843 -5.633 -5.514 1.00 0.00 N ATOM 1182 CA THR A 78 -2.909 -5.329 -6.563 1.00 0.00 C ATOM 1183 C THR A 78 -1.904 -4.275 -6.084 1.00 0.00 C ATOM 1184 O THR A 78 -2.276 -3.144 -5.771 1.00 0.00 O ATOM 1185 CB THR A 78 -3.672 -4.827 -7.801 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.698 -5.781 -8.119 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.737 -4.679 -8.998 1.00 0.00 C ATOM 0 H THR A 78 -4.481 -4.869 -5.291 1.00 0.00 H new ATOM 0 HA THR A 78 -2.358 -6.231 -6.830 1.00 0.00 H new ATOM 0 HB THR A 78 -4.103 -3.850 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.196 -5.476 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.302 -4.323 -9.859 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.950 -3.963 -8.759 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.290 -5.645 -9.232 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.646 -4.651 -6.059 1.00 0.00 N ATOM 1196 CA VAL A 79 0.414 -3.794 -5.549 1.00 0.00 C ATOM 1197 C VAL A 79 1.261 -3.323 -6.719 1.00 0.00 C ATOM 1198 O VAL A 79 1.678 -4.140 -7.540 1.00 0.00 O ATOM 1199 CB VAL A 79 1.342 -4.590 -4.584 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.289 -3.682 -3.851 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.554 -5.410 -3.609 1.00 0.00 C ATOM 0 H VAL A 79 -0.322 -5.560 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.037 -2.956 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 79 1.929 -5.268 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.920 -4.273 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.914 -3.152 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.720 -2.961 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.236 -5.951 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.081 -4.755 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.068 -6.122 -4.151 1.00 0.00 H new ATOM 1211 N ASN A 80 1.478 -2.032 -6.822 1.00 0.00 N ATOM 1212 CA ASN A 80 2.304 -1.476 -7.884 1.00 0.00 C ATOM 1213 C ASN A 80 3.097 -0.282 -7.369 1.00 0.00 C ATOM 1214 O ASN A 80 2.852 0.203 -6.261 1.00 0.00 O ATOM 1215 CB ASN A 80 1.478 -1.119 -9.138 1.00 0.00 C ATOM 1216 CG ASN A 80 0.412 -0.080 -8.890 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.648 1.100 -9.028 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.773 -0.522 -8.533 1.00 0.00 N ATOM 0 H ASN A 80 1.093 -1.338 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 80 3.011 -2.245 -8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.152 -0.757 -9.914 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.008 -2.024 -9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.533 0.137 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.933 -1.524 -8.427 1.00 0.00 H new ATOM 1225 N GLU A 81 4.025 0.189 -8.153 1.00 0.00 N ATOM 1226 CA GLU A 81 4.948 1.211 -7.714 1.00 0.00 C ATOM 1227 C GLU A 81 4.411 2.612 -8.006 1.00 0.00 C ATOM 1228 O GLU A 81 4.007 2.910 -9.126 1.00 0.00 O ATOM 1229 CB GLU A 81 6.295 0.984 -8.393 1.00 0.00 C ATOM 1230 CG GLU A 81 7.419 1.853 -7.880 1.00 0.00 C ATOM 1231 CD GLU A 81 8.722 1.534 -8.560 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.875 1.874 -9.749 1.00 0.00 O1- ATOM 1233 OE2 GLU A 81 9.580 0.896 -7.932 1.00 0.00 O ATOM 0 H GLU A 81 4.167 -0.121 -9.114 1.00 0.00 H new ATOM 0 HA GLU A 81 5.071 1.141 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.577 -0.061 -8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.180 1.157 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.171 2.902 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.526 1.713 -6.804 1.00 0.00 H new ATOM 1240 N ALA A 82 4.435 3.458 -6.991 1.00 0.00 N ATOM 1241 CA ALA A 82 3.955 4.830 -7.080 1.00 0.00 C ATOM 1242 C ALA A 82 5.127 5.760 -6.836 1.00 0.00 C ATOM 1243 O ALA A 82 4.965 6.853 -6.294 1.00 0.00 O ATOM 1244 CB ALA A 82 2.879 5.054 -6.028 1.00 0.00 C ATOM 0 H ALA A 82 4.793 3.210 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 82 3.529 5.025 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.517 6.080 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.052 4.366 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.297 4.877 -5.037 1.00 0.00 H new