USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 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 -105:sc= -0.908 (180deg=-4.26!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -99:sc= -0.0517! USER MOD Set 2.2: A 48 GLN : amide:sc= -4.02 K(o=-11,f=-26!) USER MOD Set 2.3: A 75 MET CE :methyl -121:sc= -7.23! (180deg=-5.03!) 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= -0.0463 K(o=-0.046,f=-1.5!) USER MOD Single : A 26 THR OG1 : rot -119:sc= 1.72 USER MOD Single : A 31 MET CE :methyl -111:sc= -0.126 (180deg=-2) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc=-0.00787 (180deg=-0.0302) USER MOD Single : A 36 GLN : amide:sc= -8.36! C(o=-8.4!,f=-19!) USER MOD Single : A 44 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.8!) 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= 0.255 K(o=0.26,f=-2.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -151:sc= -2.58 (180deg=-5.37!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.66 K(o=-2.7,f=-4.7!) USER MOD Single : A 71 MET CE :methyl 146:sc= -0.495 (180deg=-1.8) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 174:sc= 0 (180deg=-0.0166) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.687 3.628 -13.990 1.00 0.00 N ATOM 60 CA GLY A 7 -5.265 3.994 -12.649 1.00 0.00 C ATOM 61 C GLY A 7 -6.459 4.047 -11.693 1.00 0.00 C ATOM 62 O GLY A 7 -7.351 4.878 -11.854 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.534 3.272 -12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.770 4.965 -12.672 1.00 0.00 H new ATOM 66 N TYR A 8 -6.437 3.148 -10.720 1.00 0.00 N ATOM 67 CA TYR A 8 -7.507 3.081 -9.739 1.00 0.00 C ATOM 68 C TYR A 8 -7.149 3.879 -8.483 1.00 0.00 C ATOM 69 O TYR A 8 -5.982 4.193 -8.254 1.00 0.00 O ATOM 70 CB TYR A 8 -7.646 1.603 -9.367 1.00 0.00 C ATOM 71 CG TYR A 8 -8.306 0.749 -10.451 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.569 0.323 -11.538 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.637 0.403 -10.342 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.189 -0.481 -12.558 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.258 -0.402 -11.363 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.503 -0.804 -12.420 1.00 0.00 C ATOM 77 OH TYR A 8 -10.089 -1.564 -13.384 1.00 0.00 O ATOM 0 H TYR A 8 -5.695 2.460 -10.590 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.428 3.498 -10.146 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.657 1.198 -9.152 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.230 1.523 -8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.527 0.593 -11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.213 0.736 -9.491 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.624 -0.820 -13.414 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.299 -0.680 -11.290 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.029 -1.717 -13.153 1.00 0.00 H new ATOM 87 N SER A 9 -8.175 4.184 -7.703 1.00 0.00 N ATOM 88 CA SER A 9 -7.984 4.939 -6.476 1.00 0.00 C ATOM 89 C SER A 9 -8.551 4.160 -5.288 1.00 0.00 C ATOM 90 O SER A 9 -9.763 3.971 -5.186 1.00 0.00 O ATOM 91 CB SER A 9 -8.642 6.317 -6.570 1.00 0.00 C ATOM 92 OG SER A 9 -9.002 6.647 -7.908 1.00 0.00 O ATOM 0 H SER A 9 -9.142 3.922 -7.897 1.00 0.00 H new ATOM 0 HA SER A 9 -6.914 5.086 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.531 6.338 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.959 7.072 -6.182 1.00 0.00 H new ATOM 0 HG SER A 9 -9.420 7.533 -7.925 1.00 0.00 H new ATOM 98 N VAL A 10 -7.649 3.729 -4.419 1.00 0.00 N ATOM 99 CA VAL A 10 -8.044 2.974 -3.242 1.00 0.00 C ATOM 100 C VAL A 10 -7.588 3.720 -1.986 1.00 0.00 C ATOM 101 O VAL A 10 -6.858 4.706 -2.076 1.00 0.00 O ATOM 102 CB VAL A 10 -7.493 1.549 -3.324 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.043 0.819 -4.550 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.963 1.553 -3.327 1.00 0.00 C ATOM 0 H VAL A 10 -6.645 3.888 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.129 2.886 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.824 1.009 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.636 -0.191 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.130 0.770 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.756 1.357 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.597 0.528 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.602 2.117 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.599 2.016 -2.410 1.00 0.00 H new ATOM 114 N THR A 11 -8.038 3.221 -0.844 1.00 0.00 N ATOM 115 CA THR A 11 -7.685 3.828 0.428 1.00 0.00 C ATOM 116 C THR A 11 -6.795 2.886 1.240 1.00 0.00 C ATOM 117 O THR A 11 -7.156 1.734 1.475 1.00 0.00 O ATOM 118 CB THR A 11 -8.982 4.209 1.146 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.249 5.535 0.699 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.793 4.355 2.657 1.00 0.00 C ATOM 0 H THR A 11 -8.644 2.403 -0.773 1.00 0.00 H new ATOM 0 HA THR A 11 -7.098 4.735 0.284 1.00 0.00 H new ATOM 0 HB THR A 11 -9.743 3.454 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.075 5.860 1.114 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.743 4.626 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.444 3.410 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.057 5.133 2.858 1.00 0.00 H new ATOM 128 N VAL A 12 -5.649 3.410 1.647 1.00 0.00 N ATOM 129 CA VAL A 12 -4.704 2.630 2.428 1.00 0.00 C ATOM 130 C VAL A 12 -5.011 2.807 3.917 1.00 0.00 C ATOM 131 O VAL A 12 -5.038 3.929 4.420 1.00 0.00 O ATOM 132 CB VAL A 12 -3.271 3.023 2.062 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.283 2.548 3.129 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.890 2.484 0.682 1.00 0.00 C ATOM 0 H VAL A 12 -5.353 4.366 1.451 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.804 1.569 2.199 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.222 4.111 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.272 2.840 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.536 3.002 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.336 1.463 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.867 2.778 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.964 1.397 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.567 2.893 -0.068 1.00 0.00 H new ATOM 144 N LYS A 13 -5.234 1.682 4.580 1.00 0.00 N ATOM 145 CA LYS A 13 -5.537 1.699 6.001 1.00 0.00 C ATOM 146 C LYS A 13 -4.430 0.968 6.763 1.00 0.00 C ATOM 147 O LYS A 13 -4.300 -0.251 6.660 1.00 0.00 O ATOM 148 CB LYS A 13 -6.936 1.134 6.257 1.00 0.00 C ATOM 149 CG LYS A 13 -7.908 2.241 6.669 1.00 0.00 C ATOM 150 CD LYS A 13 -9.199 1.653 7.241 1.00 0.00 C ATOM 151 CE LYS A 13 -8.965 1.068 8.635 1.00 0.00 C ATOM 152 NZ LYS A 13 -9.368 2.038 9.678 1.00 0.00 N ATOM 0 H LYS A 13 -5.211 0.753 4.160 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.558 2.723 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.303 0.640 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.889 0.377 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.437 2.885 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.140 2.866 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.964 2.428 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.575 0.876 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.534 0.145 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.913 0.811 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.203 1.625 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.807 2.908 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.378 2.263 9.571 1.00 0.00 H new ATOM 166 N TRP A 14 -3.660 1.744 7.512 1.00 0.00 N ATOM 167 CA TRP A 14 -2.568 1.185 8.292 1.00 0.00 C ATOM 168 C TRP A 14 -2.816 1.525 9.763 1.00 0.00 C ATOM 169 O TRP A 14 -2.731 2.687 10.158 1.00 0.00 O ATOM 170 CB TRP A 14 -1.217 1.689 7.781 1.00 0.00 C ATOM 171 CG TRP A 14 -0.013 0.973 8.397 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.147 -0.340 8.609 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.201 1.589 8.876 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.369 -0.615 9.187 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.031 0.596 9.354 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.586 2.942 8.904 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.298 0.849 9.895 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.854 3.178 9.447 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.701 2.189 9.933 1.00 0.00 C ATOM 0 H TRP A 14 -3.770 2.755 7.595 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.533 0.101 8.187 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.182 1.570 6.698 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.137 2.756 7.988 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.589 -1.090 8.359 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.722 -1.537 9.444 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.953 3.736 8.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.929 0.054 10.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.199 4.201 9.492 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.666 2.453 10.338 1.00 0.00 H new ATOM 190 N GLY A 15 -3.116 0.490 10.534 1.00 0.00 N ATOM 191 CA GLY A 15 -3.376 0.664 11.953 1.00 0.00 C ATOM 192 C GLY A 15 -2.463 1.737 12.550 1.00 0.00 C ATOM 193 O GLY A 15 -1.250 1.707 12.349 1.00 0.00 O ATOM 0 H GLY A 15 -3.185 -0.472 10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.419 0.944 12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.221 -0.281 12.473 1.00 0.00 H new ATOM 197 N LYS A 16 -3.081 2.659 13.273 1.00 0.00 N ATOM 198 CA LYS A 16 -2.339 3.739 13.900 1.00 0.00 C ATOM 199 C LYS A 16 -2.278 4.933 12.945 1.00 0.00 C ATOM 200 O LYS A 16 -2.292 6.083 13.382 1.00 0.00 O ATOM 201 CB LYS A 16 -0.965 3.249 14.360 1.00 0.00 C ATOM 202 CG LYS A 16 -0.547 3.931 15.664 1.00 0.00 C ATOM 203 CD LYS A 16 0.690 4.807 15.453 1.00 0.00 C ATOM 204 CE LYS A 16 1.692 4.625 16.594 1.00 0.00 C ATOM 205 NZ LYS A 16 3.013 5.176 16.217 1.00 0.00 N ATOM 0 H LYS A 16 -4.087 2.680 13.439 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.849 4.078 14.802 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.989 2.169 14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.225 3.452 13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.369 4.541 16.039 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.338 3.176 16.422 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.163 4.552 14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.392 5.854 15.389 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.326 5.125 17.491 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.788 3.567 16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.681 5.044 17.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.368 4.681 15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.919 6.191 16.009 1.00 0.00 H new ATOM 219 N GLU A 17 -2.213 4.619 11.660 1.00 0.00 N ATOM 220 CA GLU A 17 -2.150 5.651 10.639 1.00 0.00 C ATOM 221 C GLU A 17 -3.376 5.573 9.728 1.00 0.00 C ATOM 222 O GLU A 17 -4.127 4.599 9.775 1.00 0.00 O ATOM 223 CB GLU A 17 -0.857 5.543 9.829 1.00 0.00 C ATOM 224 CG GLU A 17 0.344 5.286 10.742 1.00 0.00 C ATOM 225 CD GLU A 17 0.783 6.572 11.445 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.122 6.927 12.445 1.00 0.00 O ATOM 227 OE2 GLU A 17 1.770 7.171 10.967 1.00 0.00 O ATOM 0 H GLU A 17 -2.203 3.664 11.302 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.150 6.623 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.945 4.735 9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.699 6.462 9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.086 4.531 11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.172 4.887 10.156 1.00 0.00 H new ATOM 234 N LYS A 18 -3.541 6.610 8.921 1.00 0.00 N ATOM 235 CA LYS A 18 -4.664 6.671 8.000 1.00 0.00 C ATOM 236 C LYS A 18 -4.211 7.322 6.692 1.00 0.00 C ATOM 237 O LYS A 18 -3.575 8.375 6.707 1.00 0.00 O ATOM 238 CB LYS A 18 -5.857 7.370 8.655 1.00 0.00 C ATOM 239 CG LYS A 18 -6.972 7.621 7.638 1.00 0.00 C ATOM 240 CD LYS A 18 -8.335 7.232 8.212 1.00 0.00 C ATOM 241 CE LYS A 18 -8.769 8.210 9.306 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.022 7.750 9.945 1.00 0.00 N ATOM 0 H LYS A 18 -2.916 7.415 8.885 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.009 5.667 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.237 6.758 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.535 8.317 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.980 8.673 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.778 7.048 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.079 7.219 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.287 6.222 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.983 8.299 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.915 9.202 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.302 8.425 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.774 7.688 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.871 6.813 10.370 1.00 0.00 H new ATOM 256 N PHE A 19 -4.556 6.669 5.592 1.00 0.00 N ATOM 257 CA PHE A 19 -4.193 7.172 4.279 1.00 0.00 C ATOM 258 C PHE A 19 -5.382 7.107 3.318 1.00 0.00 C ATOM 259 O PHE A 19 -5.842 6.021 2.967 1.00 0.00 O ATOM 260 CB PHE A 19 -3.075 6.273 3.749 1.00 0.00 C ATOM 261 CG PHE A 19 -1.840 6.218 4.651 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.966 7.260 4.671 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.617 5.128 5.433 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.180 7.210 5.508 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.471 5.078 6.270 1.00 0.00 C ATOM 266 CZ PHE A 19 0.403 6.119 6.290 1.00 0.00 C ATOM 0 H PHE A 19 -5.083 5.796 5.584 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.878 8.213 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.465 5.263 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.776 6.626 2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.144 8.126 4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.311 4.301 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.874 8.037 5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.294 4.212 6.891 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.275 6.080 6.927 1.00 0.00 H new ATOM 276 N GLU A 20 -5.847 8.282 2.921 1.00 0.00 N ATOM 277 CA GLU A 20 -6.974 8.372 2.009 1.00 0.00 C ATOM 278 C GLU A 20 -6.574 9.134 0.744 1.00 0.00 C ATOM 279 O GLU A 20 -6.088 10.262 0.822 1.00 0.00 O ATOM 280 CB GLU A 20 -8.178 9.029 2.687 1.00 0.00 C ATOM 281 CG GLU A 20 -8.601 8.246 3.931 1.00 0.00 C ATOM 282 CD GLU A 20 -10.117 8.308 4.130 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.624 9.442 4.276 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.734 7.222 4.130 1.00 0.00 O ATOM 0 H GLU A 20 -5.463 9.180 3.215 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.266 7.361 1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.929 10.053 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.011 9.082 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.286 7.207 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.099 8.652 4.809 1.00 0.00 H new ATOM 291 N GLY A 21 -6.792 8.488 -0.392 1.00 0.00 N ATOM 292 CA GLY A 21 -6.460 9.091 -1.672 1.00 0.00 C ATOM 293 C GLY A 21 -5.066 8.663 -2.134 1.00 0.00 C ATOM 294 O GLY A 21 -4.200 9.505 -2.367 1.00 0.00 O ATOM 0 H GLY A 21 -7.195 7.553 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.200 8.800 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.502 10.177 -1.588 1.00 0.00 H new ATOM 298 N VAL A 22 -4.892 7.355 -2.253 1.00 0.00 N ATOM 299 CA VAL A 22 -3.618 6.806 -2.683 1.00 0.00 C ATOM 300 C VAL A 22 -3.704 6.430 -4.164 1.00 0.00 C ATOM 301 O VAL A 22 -4.720 5.907 -4.618 1.00 0.00 O ATOM 302 CB VAL A 22 -3.228 5.627 -1.789 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.934 4.973 -2.278 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.104 6.064 -0.328 1.00 0.00 C ATOM 0 H VAL A 22 -5.612 6.660 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.828 7.550 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.023 4.883 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.679 4.138 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.073 4.609 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.127 5.706 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.826 5.207 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.338 6.835 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.059 6.461 0.015 1.00 0.00 H new ATOM 314 N GLU A 23 -2.622 6.711 -4.877 1.00 0.00 N ATOM 315 CA GLU A 23 -2.563 6.409 -6.297 1.00 0.00 C ATOM 316 C GLU A 23 -2.278 4.922 -6.512 1.00 0.00 C ATOM 317 O GLU A 23 -1.363 4.367 -5.905 1.00 0.00 O ATOM 318 CB GLU A 23 -1.513 7.275 -6.997 1.00 0.00 C ATOM 319 CG GLU A 23 -2.128 8.584 -7.498 1.00 0.00 C ATOM 320 CD GLU A 23 -2.445 8.504 -8.992 1.00 0.00 C ATOM 321 OE1 GLU A 23 -3.273 7.639 -9.351 1.00 0.00 O ATOM 322 OE2 GLU A 23 -1.853 9.310 -9.742 1.00 0.00 O ATOM 0 H GLU A 23 -1.780 7.144 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.532 6.640 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.697 7.493 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.084 6.726 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.040 8.799 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.439 9.408 -7.312 1.00 0.00 H new ATOM 329 N LEU A 24 -3.080 4.318 -7.376 1.00 0.00 N ATOM 330 CA LEU A 24 -2.926 2.905 -7.679 1.00 0.00 C ATOM 331 C LEU A 24 -3.088 2.689 -9.185 1.00 0.00 C ATOM 332 O LEU A 24 -3.928 3.325 -9.820 1.00 0.00 O ATOM 333 CB LEU A 24 -3.886 2.068 -6.831 1.00 0.00 C ATOM 334 CG LEU A 24 -4.241 0.687 -7.386 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.217 -0.361 -6.947 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.668 0.291 -6.999 1.00 0.00 C ATOM 0 H LEU A 24 -3.839 4.781 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.924 2.566 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.447 1.938 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.809 2.633 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.204 0.737 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.493 -1.333 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.230 -0.081 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.197 -0.417 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.895 -0.694 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.756 0.264 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.370 1.021 -7.402 1.00 0.00 H new ATOM 348 N ASN A 25 -2.271 1.790 -9.713 1.00 0.00 N ATOM 349 CA ASN A 25 -2.313 1.483 -11.133 1.00 0.00 C ATOM 350 C ASN A 25 -2.390 -0.034 -11.320 1.00 0.00 C ATOM 351 O ASN A 25 -1.687 -0.782 -10.643 1.00 0.00 O ATOM 352 CB ASN A 25 -1.054 1.984 -11.842 1.00 0.00 C ATOM 353 CG ASN A 25 -1.126 3.492 -12.088 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.034 4.176 -11.646 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.121 3.971 -12.815 1.00 0.00 N ATOM 0 H ASN A 25 -1.576 1.264 -9.183 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.187 1.976 -11.559 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.176 1.752 -11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.935 1.462 -12.792 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.079 4.966 -13.033 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.608 3.343 -13.154 1.00 0.00 H new ATOM 362 N THR A 26 -3.250 -0.441 -12.241 1.00 0.00 N ATOM 363 CA THR A 26 -3.428 -1.855 -12.526 1.00 0.00 C ATOM 364 C THR A 26 -2.622 -2.255 -13.763 1.00 0.00 C ATOM 365 O THR A 26 -2.146 -3.385 -13.860 1.00 0.00 O ATOM 366 CB THR A 26 -4.927 -2.125 -12.664 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.414 -1.009 -13.406 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.665 -2.033 -11.327 1.00 0.00 C ATOM 0 H THR A 26 -3.832 0.183 -12.800 1.00 0.00 H new ATOM 0 HA THR A 26 -3.046 -2.473 -11.714 1.00 0.00 H new ATOM 0 HB THR A 26 -5.079 -3.115 -13.095 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.074 -0.522 -12.869 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.725 -2.233 -11.482 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.255 -2.767 -10.634 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.542 -1.033 -10.911 1.00 0.00 H new ATOM 376 N ASP A 27 -2.493 -1.306 -14.679 1.00 0.00 N ATOM 377 CA ASP A 27 -1.753 -1.546 -15.906 1.00 0.00 C ATOM 378 C ASP A 27 -0.392 -2.155 -15.565 1.00 0.00 C ATOM 379 O ASP A 27 0.201 -2.856 -16.384 1.00 0.00 O ATOM 380 CB ASP A 27 -1.509 -0.240 -16.666 1.00 0.00 C ATOM 381 CG ASP A 27 -1.877 -0.278 -18.150 1.00 0.00 C ATOM 382 OD1 ASP A 27 -2.522 -1.271 -18.550 1.00 0.00 O ATOM 383 OD2 ASP A 27 -1.505 0.688 -18.852 1.00 0.00 O ATOM 0 H ASP A 27 -2.889 -0.370 -14.596 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.341 -2.221 -16.528 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.080 0.555 -16.186 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.456 0.025 -16.575 1.00 0.00 H new ATOM 388 N GLU A 28 0.064 -1.866 -14.355 1.00 0.00 N ATOM 389 CA GLU A 28 1.344 -2.377 -13.895 1.00 0.00 C ATOM 390 C GLU A 28 1.133 -3.475 -12.851 1.00 0.00 C ATOM 391 O GLU A 28 -0.002 -3.815 -12.523 1.00 0.00 O ATOM 392 CB GLU A 28 2.216 -1.250 -13.339 1.00 0.00 C ATOM 393 CG GLU A 28 1.637 0.119 -13.696 1.00 0.00 C ATOM 394 CD GLU A 28 1.486 0.273 -15.211 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.787 -0.716 -15.914 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.074 1.375 -15.632 1.00 0.00 O ATOM 0 H GLU A 28 -0.431 -1.284 -13.679 1.00 0.00 H new ATOM 0 HA GLU A 28 1.868 -2.810 -14.747 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.292 -1.345 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.226 -1.337 -13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.666 0.244 -13.216 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.287 0.904 -13.310 1.00 0.00 H new ATOM 403 N PRO A 29 2.275 -4.012 -12.343 1.00 0.00 N ATOM 404 CA PRO A 29 2.226 -5.064 -11.342 1.00 0.00 C ATOM 405 C PRO A 29 1.842 -4.501 -9.973 1.00 0.00 C ATOM 406 O PRO A 29 1.841 -3.287 -9.775 1.00 0.00 O ATOM 407 CB PRO A 29 3.612 -5.689 -11.360 1.00 0.00 C ATOM 408 CG PRO A 29 4.520 -4.670 -12.030 1.00 0.00 C ATOM 409 CD PRO A 29 3.637 -3.634 -12.708 1.00 0.00 C ATOM 0 HA PRO A 29 1.463 -5.813 -11.556 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.953 -5.911 -10.349 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.609 -6.630 -11.910 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.170 -4.195 -11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.167 -5.157 -12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.874 -2.627 -12.365 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.774 -3.643 -13.789 1.00 0.00 H new ATOM 417 N PRO A 30 1.516 -5.434 -9.038 1.00 0.00 N ATOM 418 CA PRO A 30 1.130 -5.043 -7.693 1.00 0.00 C ATOM 419 C PRO A 30 2.349 -4.603 -6.879 1.00 0.00 C ATOM 420 O PRO A 30 2.206 -4.014 -5.809 1.00 0.00 O ATOM 421 CB PRO A 30 0.437 -6.264 -7.112 1.00 0.00 C ATOM 422 CG PRO A 30 0.868 -7.438 -7.975 1.00 0.00 C ATOM 423 CD PRO A 30 1.505 -6.880 -9.237 1.00 0.00 C ATOM 0 HA PRO A 30 0.464 -4.180 -7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.724 -6.418 -6.072 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.646 -6.143 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.576 -8.068 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.011 -8.063 -8.225 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.514 -7.268 -9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.933 -7.153 -10.124 1.00 0.00 H new ATOM 431 N MET A 31 3.521 -4.908 -7.417 1.00 0.00 N ATOM 432 CA MET A 31 4.764 -4.552 -6.755 1.00 0.00 C ATOM 433 C MET A 31 4.893 -3.034 -6.609 1.00 0.00 C ATOM 434 O MET A 31 5.417 -2.545 -5.610 1.00 0.00 O ATOM 435 CB MET A 31 5.946 -5.089 -7.564 1.00 0.00 C ATOM 436 CG MET A 31 5.742 -6.563 -7.920 1.00 0.00 C ATOM 437 SD MET A 31 7.227 -7.488 -7.568 1.00 0.00 S ATOM 438 CE MET A 31 7.269 -7.343 -5.790 1.00 0.00 C ATOM 0 H MET A 31 3.636 -5.398 -8.304 1.00 0.00 H new ATOM 0 HA MET A 31 4.763 -4.995 -5.759 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.063 -4.504 -8.476 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.866 -4.973 -6.991 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.906 -6.971 -7.351 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.486 -6.659 -8.975 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.106 -6.709 -5.496 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.337 -6.899 -5.439 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.390 -8.332 -5.347 1.00 0.00 H new ATOM 448 N VAL A 32 4.405 -2.331 -7.620 1.00 0.00 N ATOM 449 CA VAL A 32 4.458 -0.879 -7.618 1.00 0.00 C ATOM 450 C VAL A 32 3.576 -0.343 -6.488 1.00 0.00 C ATOM 451 O VAL A 32 4.047 0.398 -5.627 1.00 0.00 O ATOM 452 CB VAL A 32 4.063 -0.338 -8.993 1.00 0.00 C ATOM 453 CG1 VAL A 32 4.237 1.181 -9.055 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.860 -1.027 -10.103 1.00 0.00 C ATOM 0 H VAL A 32 3.971 -2.740 -8.447 1.00 0.00 H new ATOM 0 HA VAL A 32 5.475 -0.534 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 32 3.008 -0.561 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.949 1.540 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.606 1.651 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.280 1.436 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.560 -0.624 -11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.925 -0.849 -9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.664 -2.099 -10.080 1.00 0.00 H new ATOM 464 N PHE A 33 2.312 -0.738 -6.529 1.00 0.00 N ATOM 465 CA PHE A 33 1.360 -0.306 -5.520 1.00 0.00 C ATOM 466 C PHE A 33 1.901 -0.559 -4.112 1.00 0.00 C ATOM 467 O PHE A 33 1.565 0.163 -3.175 1.00 0.00 O ATOM 468 CB PHE A 33 0.089 -1.133 -5.722 1.00 0.00 C ATOM 469 CG PHE A 33 -1.012 -0.840 -4.701 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.656 0.358 -4.719 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.348 -1.778 -3.775 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.678 0.630 -3.772 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.370 -1.506 -2.827 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.013 -0.308 -2.845 1.00 0.00 C ATOM 0 H PHE A 33 1.925 -1.353 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 33 1.170 0.763 -5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.299 -0.946 -6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.345 -2.191 -5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.390 1.103 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.838 -2.730 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.189 1.581 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.636 -2.251 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.790 -0.101 -2.124 1.00 0.00 H new ATOM 484 N LYS A 34 2.730 -1.588 -4.007 1.00 0.00 N ATOM 485 CA LYS A 34 3.320 -1.946 -2.729 1.00 0.00 C ATOM 486 C LYS A 34 4.601 -1.136 -2.519 1.00 0.00 C ATOM 487 O LYS A 34 5.048 -0.956 -1.387 1.00 0.00 O ATOM 488 CB LYS A 34 3.528 -3.459 -2.639 1.00 0.00 C ATOM 489 CG LYS A 34 2.192 -4.187 -2.477 1.00 0.00 C ATOM 490 CD LYS A 34 2.405 -5.620 -1.983 1.00 0.00 C ATOM 491 CE LYS A 34 1.210 -6.506 -2.338 1.00 0.00 C ATOM 492 NZ LYS A 34 1.001 -7.537 -1.297 1.00 0.00 N ATOM 0 H LYS A 34 3.007 -2.185 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 34 2.644 -1.692 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.033 -3.814 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.177 -3.691 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.562 -3.645 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.664 -4.202 -3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.311 -6.031 -2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.552 -5.618 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.313 -5.894 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.378 -6.984 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.241 -8.181 -1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.880 -8.077 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.736 -7.078 -0.402 1.00 0.00 H new ATOM 506 N ALA A 35 5.156 -0.669 -3.628 1.00 0.00 N ATOM 507 CA ALA A 35 6.377 0.118 -3.579 1.00 0.00 C ATOM 508 C ALA A 35 6.068 1.496 -2.992 1.00 0.00 C ATOM 509 O ALA A 35 6.900 2.081 -2.301 1.00 0.00 O ATOM 510 CB ALA A 35 6.984 0.205 -4.981 1.00 0.00 C ATOM 0 H ALA A 35 4.783 -0.820 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 35 7.114 -0.358 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.900 0.795 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.213 -0.798 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.273 0.680 -5.657 1.00 0.00 H new ATOM 516 N GLN A 36 4.868 1.974 -3.288 1.00 0.00 N ATOM 517 CA GLN A 36 4.438 3.273 -2.797 1.00 0.00 C ATOM 518 C GLN A 36 4.095 3.191 -1.308 1.00 0.00 C ATOM 519 O GLN A 36 4.573 3.997 -0.512 1.00 0.00 O ATOM 520 CB GLN A 36 3.251 3.799 -3.606 1.00 0.00 C ATOM 521 CG GLN A 36 2.697 5.086 -2.992 1.00 0.00 C ATOM 522 CD GLN A 36 1.167 5.087 -3.008 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.515 4.158 -2.558 1.00 0.00 O ATOM 524 NE2 GLN A 36 0.632 6.177 -3.549 1.00 0.00 N ATOM 0 H GLN A 36 4.180 1.486 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 36 5.260 3.977 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.561 3.986 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.467 3.042 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.054 5.187 -1.967 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.071 5.947 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.235 6.917 -3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.382 6.273 -3.606 1.00 0.00 H new ATOM 533 N LEU A 37 3.268 2.209 -0.978 1.00 0.00 N ATOM 534 CA LEU A 37 2.855 2.012 0.401 1.00 0.00 C ATOM 535 C LEU A 37 4.081 2.093 1.313 1.00 0.00 C ATOM 536 O LEU A 37 3.993 2.588 2.435 1.00 0.00 O ATOM 537 CB LEU A 37 2.069 0.707 0.543 1.00 0.00 C ATOM 538 CG LEU A 37 0.698 0.673 -0.136 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.283 -0.197 0.653 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.160 2.088 -0.356 1.00 0.00 C ATOM 0 H LEU A 37 2.873 1.542 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 37 2.173 2.804 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.674 -0.104 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.932 0.502 1.605 1.00 0.00 H new ATOM 0 HG LEU A 37 0.815 0.217 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.249 -0.204 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.102 -1.215 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.401 0.208 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.815 2.035 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.061 2.593 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.850 2.645 -0.990 1.00 0.00 H new ATOM 552 N PHE A 38 5.197 1.599 0.797 1.00 0.00 N ATOM 553 CA PHE A 38 6.439 1.609 1.550 1.00 0.00 C ATOM 554 C PHE A 38 6.790 3.026 2.008 1.00 0.00 C ATOM 555 O PHE A 38 7.375 3.210 3.075 1.00 0.00 O ATOM 556 CB PHE A 38 7.536 1.102 0.612 1.00 0.00 C ATOM 557 CG PHE A 38 8.907 0.962 1.276 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.016 1.020 2.630 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.017 0.778 0.512 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.289 0.890 3.246 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.290 0.648 1.128 1.00 0.00 C ATOM 562 CZ PHE A 38 11.399 0.706 2.482 1.00 0.00 C ATOM 0 H PHE A 38 5.267 1.189 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 38 6.342 0.983 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.238 0.134 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.621 1.785 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.135 1.165 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.930 0.731 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.376 0.937 4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.171 0.503 0.521 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.367 0.606 2.951 1.00 0.00 H new ATOM 572 N ALA A 39 6.419 3.991 1.180 1.00 0.00 N ATOM 573 CA ALA A 39 6.688 5.385 1.486 1.00 0.00 C ATOM 574 C ALA A 39 5.493 5.977 2.237 1.00 0.00 C ATOM 575 O ALA A 39 5.607 7.034 2.857 1.00 0.00 O ATOM 576 CB ALA A 39 6.997 6.142 0.193 1.00 0.00 C ATOM 0 H ALA A 39 5.934 3.835 0.297 1.00 0.00 H new ATOM 0 HA ALA A 39 7.561 5.474 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.199 7.188 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.871 5.701 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.142 6.077 -0.480 1.00 0.00 H new ATOM 582 N LEU A 40 4.375 5.271 2.157 1.00 0.00 N ATOM 583 CA LEU A 40 3.161 5.713 2.821 1.00 0.00 C ATOM 584 C LEU A 40 3.241 5.362 4.308 1.00 0.00 C ATOM 585 O LEU A 40 2.956 6.199 5.163 1.00 0.00 O ATOM 586 CB LEU A 40 1.928 5.140 2.120 1.00 0.00 C ATOM 587 CG LEU A 40 1.722 5.571 0.666 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.259 5.414 0.249 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.234 6.995 0.438 1.00 0.00 C ATOM 0 H LEU A 40 4.284 4.395 1.642 1.00 0.00 H new ATOM 0 HA LEU A 40 3.063 6.797 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.990 4.052 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.045 5.425 2.691 1.00 0.00 H new ATOM 0 HG LEU A 40 2.310 4.912 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.141 5.727 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.038 4.370 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.370 6.033 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.076 7.276 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.693 7.684 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.298 7.040 0.668 1.00 0.00 H new ATOM 601 N THR A 41 3.631 4.123 4.571 1.00 0.00 N ATOM 602 CA THR A 41 3.753 3.651 5.939 1.00 0.00 C ATOM 603 C THR A 41 5.226 3.512 6.327 1.00 0.00 C ATOM 604 O THR A 41 5.709 4.219 7.210 1.00 0.00 O ATOM 605 CB THR A 41 2.967 2.344 6.060 1.00 0.00 C ATOM 606 OG1 THR A 41 3.742 1.403 5.322 1.00 0.00 O ATOM 607 CG2 THR A 41 1.631 2.393 5.315 1.00 0.00 C ATOM 0 H THR A 41 3.867 3.432 3.859 1.00 0.00 H new ATOM 0 HA THR A 41 3.331 4.368 6.643 1.00 0.00 H new ATOM 0 HB THR A 41 2.788 2.125 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.357 1.292 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.114 1.441 5.433 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.015 3.194 5.724 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.811 2.579 4.256 1.00 0.00 H new ATOM 615 N GLY A 42 5.900 2.596 5.646 1.00 0.00 N ATOM 616 CA GLY A 42 7.309 2.355 5.908 1.00 0.00 C ATOM 617 C GLY A 42 7.635 0.863 5.821 1.00 0.00 C ATOM 618 O GLY A 42 8.804 0.482 5.769 1.00 0.00 O ATOM 0 H GLY A 42 5.496 2.012 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.916 2.906 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.568 2.730 6.898 1.00 0.00 H new ATOM 622 N VAL A 43 6.582 0.059 5.809 1.00 0.00 N ATOM 623 CA VAL A 43 6.742 -1.383 5.730 1.00 0.00 C ATOM 624 C VAL A 43 7.084 -1.775 4.291 1.00 0.00 C ATOM 625 O VAL A 43 6.484 -1.265 3.346 1.00 0.00 O ATOM 626 CB VAL A 43 5.485 -2.078 6.257 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.622 -3.600 6.165 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.177 -1.641 7.690 1.00 0.00 C ATOM 0 H VAL A 43 5.614 0.379 5.853 1.00 0.00 H new ATOM 0 HA VAL A 43 7.568 -1.712 6.361 1.00 0.00 H new ATOM 0 HB VAL A 43 4.647 -1.778 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.716 -4.071 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.772 -3.890 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.476 -3.925 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.279 -2.150 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.016 -1.898 8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.017 -0.563 7.715 1.00 0.00 H new ATOM 638 N GLN A 44 8.046 -2.678 4.171 1.00 0.00 N ATOM 639 CA GLN A 44 8.475 -3.144 2.863 1.00 0.00 C ATOM 640 C GLN A 44 7.288 -3.725 2.091 1.00 0.00 C ATOM 641 O GLN A 44 6.296 -4.136 2.689 1.00 0.00 O ATOM 642 CB GLN A 44 9.602 -4.172 2.990 1.00 0.00 C ATOM 643 CG GLN A 44 10.829 -3.559 3.668 1.00 0.00 C ATOM 644 CD GLN A 44 11.659 -2.749 2.670 1.00 0.00 C ATOM 645 OE1 GLN A 44 11.623 -2.968 1.470 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.408 -1.803 3.231 1.00 0.00 N ATOM 0 H GLN A 44 8.540 -3.099 4.957 1.00 0.00 H new ATOM 0 HA GLN A 44 8.865 -2.293 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.254 -5.029 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.875 -4.542 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.512 -2.916 4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.443 -4.349 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.391 -1.672 4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.999 -1.208 2.650 1.00 0.00 H new ATOM 655 N PRO A 45 7.434 -3.739 0.739 1.00 0.00 N ATOM 656 CA PRO A 45 6.386 -4.262 -0.121 1.00 0.00 C ATOM 657 C PRO A 45 6.350 -5.791 -0.074 1.00 0.00 C ATOM 658 O PRO A 45 5.536 -6.418 -0.751 1.00 0.00 O ATOM 659 CB PRO A 45 6.704 -3.718 -1.504 1.00 0.00 C ATOM 660 CG PRO A 45 8.164 -3.298 -1.461 1.00 0.00 C ATOM 661 CD PRO A 45 8.596 -3.260 -0.004 1.00 0.00 C ATOM 0 HA PRO A 45 5.390 -3.953 0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.538 -4.476 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.061 -2.872 -1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.780 -4.000 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.293 -2.319 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.465 -3.895 0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.873 -2.251 0.301 1.00 0.00 H new ATOM 669 N ALA A 46 7.242 -6.348 0.733 1.00 0.00 N ATOM 670 CA ALA A 46 7.322 -7.791 0.877 1.00 0.00 C ATOM 671 C ALA A 46 6.623 -8.209 2.173 1.00 0.00 C ATOM 672 O ALA A 46 6.062 -9.301 2.255 1.00 0.00 O ATOM 673 CB ALA A 46 8.788 -8.227 0.839 1.00 0.00 C ATOM 0 H ALA A 46 7.915 -5.825 1.294 1.00 0.00 H new ATOM 0 HA ALA A 46 6.812 -8.288 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.848 -9.310 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.231 -7.932 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.331 -7.750 1.655 1.00 0.00 H new ATOM 679 N ARG A 47 6.681 -7.319 3.153 1.00 0.00 N ATOM 680 CA ARG A 47 6.061 -7.582 4.440 1.00 0.00 C ATOM 681 C ARG A 47 4.661 -6.967 4.491 1.00 0.00 C ATOM 682 O ARG A 47 3.790 -7.455 5.209 1.00 0.00 O ATOM 683 CB ARG A 47 6.902 -7.013 5.584 1.00 0.00 C ATOM 684 CG ARG A 47 8.393 -7.256 5.341 1.00 0.00 C ATOM 685 CD ARG A 47 9.080 -7.765 6.610 1.00 0.00 C ATOM 686 NE ARG A 47 10.525 -7.964 6.359 1.00 0.00 N ATOM 687 CZ ARG A 47 11.438 -6.985 6.415 1.00 0.00 C ATOM 688 NH1 ARG A 47 11.063 -5.734 6.714 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.728 -7.258 6.173 1.00 0.00 N ATOM 0 H ARG A 47 7.148 -6.415 3.081 1.00 0.00 H new ATOM 0 HA ARG A 47 5.991 -8.663 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.715 -5.944 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.603 -7.475 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.521 -7.982 4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.867 -6.331 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.938 -7.051 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.625 -8.703 6.928 1.00 0.00 H new ATOM 0 HE ARG A 47 10.846 -8.905 6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.082 -5.526 6.899 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.759 -4.989 6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.014 -8.211 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.424 -6.513 6.215 1.00 0.00 H new ATOM 703 N GLN A 48 4.488 -5.904 3.718 1.00 0.00 N ATOM 704 CA GLN A 48 3.209 -5.217 3.666 1.00 0.00 C ATOM 705 C GLN A 48 2.118 -6.164 3.162 1.00 0.00 C ATOM 706 O GLN A 48 1.909 -6.291 1.957 1.00 0.00 O ATOM 707 CB GLN A 48 3.295 -3.965 2.791 1.00 0.00 C ATOM 708 CG GLN A 48 3.788 -2.763 3.600 1.00 0.00 C ATOM 709 CD GLN A 48 3.689 -1.474 2.782 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.084 -0.495 3.188 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.316 -1.527 1.611 1.00 0.00 N ATOM 0 H GLN A 48 5.213 -5.502 3.123 1.00 0.00 H new ATOM 0 HA GLN A 48 2.948 -4.898 4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.970 -4.147 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.315 -3.745 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.197 -2.666 4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.821 -2.925 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.804 -2.378 1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.309 -0.717 0.992 1.00 0.00 H new ATOM 720 N LYS A 49 1.451 -6.805 4.111 1.00 0.00 N ATOM 721 CA LYS A 49 0.387 -7.736 3.778 1.00 0.00 C ATOM 722 C LYS A 49 -0.825 -6.957 3.264 1.00 0.00 C ATOM 723 O LYS A 49 -1.664 -6.517 4.048 1.00 0.00 O ATOM 724 CB LYS A 49 0.074 -8.641 4.972 1.00 0.00 C ATOM 725 CG LYS A 49 -0.666 -9.903 4.525 1.00 0.00 C ATOM 726 CD LYS A 49 -1.393 -10.558 5.701 1.00 0.00 C ATOM 727 CE LYS A 49 -2.740 -11.133 5.261 1.00 0.00 C ATOM 728 NZ LYS A 49 -3.415 -11.801 6.396 1.00 0.00 N ATOM 0 H LYS A 49 1.627 -6.698 5.110 1.00 0.00 H new ATOM 0 HA LYS A 49 0.702 -8.402 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.000 -8.918 5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.532 -8.097 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.384 -9.651 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.042 -10.609 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.774 -11.352 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.548 -9.824 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.373 -10.335 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.590 -11.845 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.328 -12.186 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.817 -12.575 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.575 -11.112 7.159 1.00 0.00 H new ATOM 742 N VAL A 50 -0.878 -6.810 1.948 1.00 0.00 N ATOM 743 CA VAL A 50 -1.974 -6.091 1.319 1.00 0.00 C ATOM 744 C VAL A 50 -3.153 -7.045 1.115 1.00 0.00 C ATOM 745 O VAL A 50 -3.115 -7.905 0.237 1.00 0.00 O ATOM 746 CB VAL A 50 -1.496 -5.444 0.018 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.612 -4.618 -0.626 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.249 -4.590 0.256 1.00 0.00 C ATOM 0 H VAL A 50 -0.180 -7.176 1.300 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.319 -5.281 1.962 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.228 -6.242 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.246 -4.169 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.461 -5.264 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.925 -3.832 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.070 -4.142 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.479 -3.803 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.552 -5.217 0.649 1.00 0.00 H new ATOM 758 N MET A 51 -4.172 -6.859 1.940 1.00 0.00 N ATOM 759 CA MET A 51 -5.360 -7.692 1.861 1.00 0.00 C ATOM 760 C MET A 51 -6.306 -7.195 0.766 1.00 0.00 C ATOM 761 O MET A 51 -6.103 -6.118 0.206 1.00 0.00 O ATOM 762 CB MET A 51 -6.085 -7.677 3.208 1.00 0.00 C ATOM 763 CG MET A 51 -5.653 -8.860 4.077 1.00 0.00 C ATOM 764 SD MET A 51 -7.041 -9.943 4.368 1.00 0.00 S ATOM 765 CE MET A 51 -7.158 -10.734 2.772 1.00 0.00 C ATOM 0 H MET A 51 -4.200 -6.144 2.667 1.00 0.00 H new ATOM 0 HA MET A 51 -5.052 -8.709 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.874 -6.743 3.728 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.162 -7.715 3.046 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.850 -9.409 3.585 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.258 -8.499 5.026 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.009 -10.327 2.225 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.243 -10.552 2.208 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.294 -11.807 2.907 1.00 0.00 H new ATOM 775 N VAL A 52 -7.321 -8.002 0.493 1.00 0.00 N ATOM 776 CA VAL A 52 -8.299 -7.658 -0.525 1.00 0.00 C ATOM 777 C VAL A 52 -9.701 -7.992 -0.012 1.00 0.00 C ATOM 778 O VAL A 52 -9.859 -8.833 0.872 1.00 0.00 O ATOM 779 CB VAL A 52 -7.959 -8.365 -1.838 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.834 -7.849 -2.982 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.473 -8.215 -2.173 1.00 0.00 C ATOM 0 H VAL A 52 -7.487 -8.894 0.960 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.274 -6.588 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.168 -9.427 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.571 -8.368 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.883 -8.032 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.672 -6.779 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.258 -8.727 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.227 -7.158 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.874 -8.654 -1.375 1.00 0.00 H new ATOM 791 N LYS A 53 -10.684 -7.315 -0.588 1.00 0.00 N ATOM 792 CA LYS A 53 -12.068 -7.529 -0.201 1.00 0.00 C ATOM 793 C LYS A 53 -12.255 -8.988 0.219 1.00 0.00 C ATOM 794 O LYS A 53 -12.902 -9.270 1.226 1.00 0.00 O ATOM 795 CB LYS A 53 -13.012 -7.084 -1.319 1.00 0.00 C ATOM 796 CG LYS A 53 -12.982 -5.564 -1.489 1.00 0.00 C ATOM 797 CD LYS A 53 -14.209 -4.915 -0.844 1.00 0.00 C ATOM 798 CE LYS A 53 -14.136 -3.390 -0.938 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.126 -2.884 -1.915 1.00 0.00 N ATOM 0 H LYS A 53 -10.549 -6.618 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.322 -6.914 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.725 -7.564 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.028 -7.408 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.075 -5.162 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.949 -5.314 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.114 -5.270 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.276 -5.216 0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.325 -2.950 0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.133 -3.086 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.064 -1.847 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.928 -3.290 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.083 -3.159 -1.614 1.00 0.00 H new ATOM 813 N GLY A 54 -11.678 -9.878 -0.576 1.00 0.00 N ATOM 814 CA GLY A 54 -11.774 -11.301 -0.300 1.00 0.00 C ATOM 815 C GLY A 54 -10.607 -12.062 -0.932 1.00 0.00 C ATOM 816 O GLY A 54 -10.805 -13.104 -1.554 1.00 0.00 O ATOM 0 H GLY A 54 -11.143 -9.641 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.780 -11.467 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.717 -11.687 -0.687 1.00 0.00 H new ATOM 820 N GLY A 55 -9.415 -11.511 -0.750 1.00 0.00 N ATOM 821 CA GLY A 55 -8.216 -12.125 -1.294 1.00 0.00 C ATOM 822 C GLY A 55 -6.970 -11.320 -0.920 1.00 0.00 C ATOM 823 O GLY A 55 -7.038 -10.414 -0.090 1.00 0.00 O ATOM 0 H GLY A 55 -9.255 -10.646 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.122 -13.144 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.298 -12.192 -2.379 1.00 0.00 H new ATOM 827 N THR A 56 -5.861 -11.679 -1.550 1.00 0.00 N ATOM 828 CA THR A 56 -4.602 -11.001 -1.293 1.00 0.00 C ATOM 829 C THR A 56 -4.002 -10.479 -2.600 1.00 0.00 C ATOM 830 O THR A 56 -4.139 -11.111 -3.647 1.00 0.00 O ATOM 831 CB THR A 56 -3.685 -11.974 -0.549 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.372 -12.234 0.672 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.374 -11.320 -0.107 1.00 0.00 C ATOM 0 H THR A 56 -5.808 -12.430 -2.238 1.00 0.00 H new ATOM 0 HA THR A 56 -4.746 -10.122 -0.664 1.00 0.00 H new ATOM 0 HB THR A 56 -3.467 -12.829 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.848 -12.858 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.760 -12.053 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.837 -10.955 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.590 -10.486 0.560 1.00 0.00 H new ATOM 841 N LEU A 57 -3.348 -9.331 -2.497 1.00 0.00 N ATOM 842 CA LEU A 57 -2.727 -8.717 -3.658 1.00 0.00 C ATOM 843 C LEU A 57 -1.452 -9.485 -4.015 1.00 0.00 C ATOM 844 O LEU A 57 -0.527 -9.568 -3.209 1.00 0.00 O ATOM 845 CB LEU A 57 -2.497 -7.224 -3.415 1.00 0.00 C ATOM 846 CG LEU A 57 -3.141 -6.273 -4.426 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.782 -4.818 -4.117 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.772 -6.663 -5.858 1.00 0.00 C ATOM 0 H LEU A 57 -3.235 -8.810 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.389 -8.778 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.872 -6.976 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.423 -7.039 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.224 -6.363 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.253 -4.163 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.137 -4.560 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.700 -4.693 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.243 -5.971 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.690 -6.621 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.120 -7.676 -6.061 1.00 0.00 H new ATOM 860 N LYS A 58 -1.446 -10.027 -5.224 1.00 0.00 N ATOM 861 CA LYS A 58 -0.300 -10.786 -5.697 1.00 0.00 C ATOM 862 C LYS A 58 0.920 -9.866 -5.769 1.00 0.00 C ATOM 863 O LYS A 58 0.868 -8.723 -5.318 1.00 0.00 O ATOM 864 CB LYS A 58 -0.627 -11.478 -7.022 1.00 0.00 C ATOM 865 CG LYS A 58 -1.509 -12.708 -6.794 1.00 0.00 C ATOM 866 CD LYS A 58 -2.517 -12.878 -7.933 1.00 0.00 C ATOM 867 CE LYS A 58 -3.082 -14.300 -7.957 1.00 0.00 C ATOM 868 NZ LYS A 58 -2.890 -14.911 -9.291 1.00 0.00 N ATOM 0 H LYS A 58 -2.215 -9.956 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.056 -11.585 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.136 -10.779 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.296 -11.775 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.885 -13.599 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.039 -12.610 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.330 -12.162 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.035 -12.658 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.588 -14.907 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.143 -14.280 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.279 -15.876 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.381 -14.340 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.875 -14.947 -9.513 1.00 0.00 H new ATOM 882 N ASP A 59 1.991 -10.400 -6.339 1.00 0.00 N ATOM 883 CA ASP A 59 3.223 -9.642 -6.476 1.00 0.00 C ATOM 884 C ASP A 59 3.671 -9.666 -7.938 1.00 0.00 C ATOM 885 O ASP A 59 4.014 -8.628 -8.503 1.00 0.00 O ATOM 886 CB ASP A 59 4.341 -10.251 -5.628 1.00 0.00 C ATOM 887 CG ASP A 59 4.405 -9.749 -4.184 1.00 0.00 C ATOM 888 OD1 ASP A 59 4.847 -8.594 -4.005 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.012 -10.532 -3.293 1.00 0.00 O ATOM 0 H ASP A 59 2.031 -11.349 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 59 3.031 -8.623 -6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.218 -11.334 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.296 -10.045 -6.111 1.00 0.00 H new ATOM 894 N ASP A 60 3.655 -10.861 -8.510 1.00 0.00 N ATOM 895 CA ASP A 60 4.056 -11.033 -9.896 1.00 0.00 C ATOM 896 C ASP A 60 3.125 -10.219 -10.796 1.00 0.00 C ATOM 897 O ASP A 60 3.582 -9.377 -11.569 1.00 0.00 O ATOM 898 CB ASP A 60 3.960 -12.500 -10.319 1.00 0.00 C ATOM 899 CG ASP A 60 5.303 -13.205 -10.518 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.944 -12.923 -11.553 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.658 -14.011 -9.630 1.00 0.00 O ATOM 0 H ASP A 60 3.371 -11.720 -8.039 1.00 0.00 H new ATOM 0 HA ASP A 60 5.088 -10.697 -9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.390 -13.043 -9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.395 -12.558 -11.249 1.00 0.00 H new ATOM 906 N ASP A 61 1.836 -10.498 -10.667 1.00 0.00 N ATOM 907 CA ASP A 61 0.837 -9.802 -11.460 1.00 0.00 C ATOM 908 C ASP A 61 -0.503 -9.830 -10.722 1.00 0.00 C ATOM 909 O ASP A 61 -0.735 -10.697 -9.881 1.00 0.00 O ATOM 910 CB ASP A 61 0.643 -10.479 -12.818 1.00 0.00 C ATOM 911 CG ASP A 61 1.935 -10.893 -13.525 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.592 -9.987 -14.083 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.236 -12.105 -13.493 1.00 0.00 O ATOM 0 H ASP A 61 1.461 -11.196 -10.025 1.00 0.00 H new ATOM 0 HA ASP A 61 1.180 -8.779 -11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.022 -11.364 -12.680 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.091 -9.801 -13.469 1.00 0.00 H new ATOM 918 N TRP A 62 -1.351 -8.871 -11.064 1.00 0.00 N ATOM 919 CA TRP A 62 -2.661 -8.774 -10.444 1.00 0.00 C ATOM 920 C TRP A 62 -3.459 -10.022 -10.828 1.00 0.00 C ATOM 921 O TRP A 62 -3.825 -10.819 -9.965 1.00 0.00 O ATOM 922 CB TRP A 62 -3.361 -7.473 -10.841 1.00 0.00 C ATOM 923 CG TRP A 62 -2.665 -6.211 -10.327 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.563 -5.622 -10.810 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.072 -5.401 -9.203 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.231 -4.496 -10.083 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.178 -4.358 -9.075 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.160 -5.546 -8.325 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.280 -3.379 -8.080 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.248 -4.559 -7.335 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.356 -3.502 -7.193 1.00 0.00 C ATOM 0 H TRP A 62 -1.156 -8.154 -11.763 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.572 -8.737 -9.358 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.425 -7.424 -11.928 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.383 -7.492 -10.462 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.004 -5.983 -11.661 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.437 -3.879 -10.254 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.872 -6.354 -8.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.567 -2.572 -8.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.066 -4.624 -6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.493 -2.779 -6.402 1.00 0.00 H new ATOM 942 N GLY A 63 -3.704 -10.154 -12.123 1.00 0.00 N ATOM 943 CA GLY A 63 -4.451 -11.291 -12.632 1.00 0.00 C ATOM 944 C GLY A 63 -5.914 -10.919 -12.882 1.00 0.00 C ATOM 945 O GLY A 63 -6.207 -9.825 -13.361 1.00 0.00 O ATOM 0 H GLY A 63 -3.398 -9.492 -12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.998 -11.643 -13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.398 -12.114 -11.919 1.00 0.00 H new ATOM 949 N ASN A 64 -6.794 -11.851 -12.545 1.00 0.00 N ATOM 950 CA ASN A 64 -8.219 -11.634 -12.727 1.00 0.00 C ATOM 951 C ASN A 64 -8.798 -10.993 -11.464 1.00 0.00 C ATOM 952 O ASN A 64 -9.851 -11.406 -10.981 1.00 0.00 O ATOM 953 CB ASN A 64 -8.951 -12.957 -12.964 1.00 0.00 C ATOM 954 CG ASN A 64 -8.664 -13.952 -11.838 1.00 0.00 C ATOM 955 OD1 ASN A 64 -7.553 -14.424 -11.660 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.724 -14.244 -11.090 1.00 0.00 N ATOM 0 H ASN A 64 -6.548 -12.757 -12.147 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.354 -10.986 -13.593 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.024 -12.776 -13.030 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.640 -13.383 -13.918 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.635 -14.899 -10.313 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.626 -13.813 -11.293 1.00 0.00 H new ATOM 963 N ILE A 65 -8.085 -9.993 -10.967 1.00 0.00 N ATOM 964 CA ILE A 65 -8.515 -9.290 -9.770 1.00 0.00 C ATOM 965 C ILE A 65 -9.405 -8.111 -10.168 1.00 0.00 C ATOM 966 O ILE A 65 -9.071 -7.357 -11.081 1.00 0.00 O ATOM 967 CB ILE A 65 -7.307 -8.890 -8.921 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.532 -10.124 -8.455 1.00 0.00 C ATOM 969 CG2 ILE A 65 -7.731 -8.003 -7.748 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.290 -9.722 -7.656 1.00 0.00 C ATOM 0 H ILE A 65 -7.213 -9.653 -11.371 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.116 -9.944 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.632 -8.301 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.177 -10.752 -7.840 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.236 -10.720 -9.319 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.854 -7.733 -7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.205 -7.099 -8.129 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.436 -8.545 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.757 -10.618 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.636 -9.114 -8.281 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.591 -9.147 -6.780 1.00 0.00 H new ATOM 982 N LYS A 66 -10.520 -7.988 -9.463 1.00 0.00 N ATOM 983 CA LYS A 66 -11.460 -6.913 -9.732 1.00 0.00 C ATOM 984 C LYS A 66 -11.233 -5.780 -8.728 1.00 0.00 C ATOM 985 O LYS A 66 -11.545 -5.921 -7.547 1.00 0.00 O ATOM 986 CB LYS A 66 -12.894 -7.446 -9.744 1.00 0.00 C ATOM 987 CG LYS A 66 -13.899 -6.321 -9.485 1.00 0.00 C ATOM 988 CD LYS A 66 -15.099 -6.431 -10.427 1.00 0.00 C ATOM 989 CE LYS A 66 -16.413 -6.236 -9.667 1.00 0.00 C ATOM 990 NZ LYS A 66 -17.261 -5.231 -10.347 1.00 0.00 N ATOM 0 H LYS A 66 -10.794 -8.615 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.290 -6.498 -10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.105 -7.912 -10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.005 -8.220 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.239 -6.363 -8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.412 -5.355 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.016 -5.683 -11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.097 -7.407 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.946 -7.185 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.205 -5.915 -8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.149 -5.111 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.757 -4.322 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.474 -5.553 -11.313 1.00 0.00 H new ATOM 1004 N MET A 67 -10.692 -4.682 -9.236 1.00 0.00 N ATOM 1005 CA MET A 67 -10.420 -3.526 -8.399 1.00 0.00 C ATOM 1006 C MET A 67 -11.399 -2.389 -8.699 1.00 0.00 C ATOM 1007 O MET A 67 -11.849 -2.237 -9.833 1.00 0.00 O ATOM 1008 CB MET A 67 -8.988 -3.045 -8.642 1.00 0.00 C ATOM 1009 CG MET A 67 -7.988 -4.191 -8.475 1.00 0.00 C ATOM 1010 SD MET A 67 -7.694 -4.495 -6.741 1.00 0.00 S ATOM 1011 CE MET A 67 -6.817 -3.001 -6.309 1.00 0.00 C ATOM 0 H MET A 67 -10.435 -4.569 -10.217 1.00 0.00 H new ATOM 0 HA MET A 67 -10.542 -3.819 -7.356 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.906 -2.630 -9.646 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.747 -2.243 -7.945 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.373 -5.093 -8.951 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.051 -3.943 -8.973 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.134 -3.206 -5.485 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.251 -2.649 -7.171 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.531 -2.235 -6.007 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.698 -1.621 -7.662 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.616 -0.502 -7.801 1.00 0.00 C ATOM 1023 C LYS A 68 -12.012 0.733 -7.130 1.00 0.00 C ATOM 1024 O LYS A 68 -11.213 0.612 -6.202 1.00 0.00 O ATOM 1025 CB LYS A 68 -14.001 -0.876 -7.269 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.616 -2.011 -8.091 1.00 0.00 C ATOM 1027 CD LYS A 68 -14.786 -3.272 -7.242 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.752 -3.026 -6.082 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.739 -4.126 -5.987 1.00 0.00 N ATOM 0 H LYS A 68 -11.322 -1.751 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.760 -0.255 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.924 -1.179 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.654 -0.004 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.584 -1.698 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.981 -2.229 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.159 -4.086 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.817 -3.586 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.196 -2.947 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.269 -2.077 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.387 -3.943 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.282 -4.183 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.242 -5.026 -5.827 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.417 1.894 -7.624 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.926 3.150 -7.084 1.00 0.00 C ATOM 1045 C ASN A 69 -12.840 3.601 -5.943 1.00 0.00 C ATOM 1046 O ASN A 69 -13.998 3.947 -6.171 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.925 4.246 -8.152 1.00 0.00 C ATOM 1048 CG ASN A 69 -11.456 3.697 -9.501 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -10.534 2.903 -9.590 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -12.140 4.163 -10.542 1.00 0.00 N ATOM 0 H ASN A 69 -13.080 1.991 -8.393 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.907 2.990 -6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.928 4.661 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.272 5.062 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.904 3.857 -11.486 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.901 4.826 -10.397 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.285 3.583 -4.740 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.036 3.987 -3.564 1.00 0.00 C ATOM 1059 C GLY A 70 -12.916 2.942 -2.452 1.00 0.00 C ATOM 1060 O GLY A 70 -13.020 3.272 -1.272 1.00 0.00 O ATOM 0 H GLY A 70 -11.324 3.295 -4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.668 4.949 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.085 4.125 -3.827 1.00 0.00 H new ATOM 1064 N MET A 71 -12.697 1.704 -2.869 1.00 0.00 N ATOM 1065 CA MET A 71 -12.562 0.609 -1.923 1.00 0.00 C ATOM 1066 C MET A 71 -11.527 0.940 -0.845 1.00 0.00 C ATOM 1067 O MET A 71 -11.009 2.055 -0.799 1.00 0.00 O ATOM 1068 CB MET A 71 -12.136 -0.659 -2.667 1.00 0.00 C ATOM 1069 CG MET A 71 -10.729 -0.507 -3.248 1.00 0.00 C ATOM 1070 SD MET A 71 -9.702 -1.869 -2.725 1.00 0.00 S ATOM 1071 CE MET A 71 -10.700 -3.241 -3.280 1.00 0.00 C ATOM 0 H MET A 71 -12.610 1.435 -3.849 1.00 0.00 H new ATOM 0 HA MET A 71 -13.526 0.451 -1.439 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.162 -1.510 -1.987 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.844 -0.870 -3.469 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.778 -0.475 -4.336 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.291 0.436 -2.920 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.052 -4.057 -3.600 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.336 -3.582 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.323 -2.923 -4.116 1.00 0.00 H new ATOM 1081 N THR A 72 -11.258 -0.048 -0.005 1.00 0.00 N ATOM 1082 CA THR A 72 -10.295 0.125 1.069 1.00 0.00 C ATOM 1083 C THR A 72 -9.252 -0.994 1.035 1.00 0.00 C ATOM 1084 O THR A 72 -9.592 -2.159 0.838 1.00 0.00 O ATOM 1085 CB THR A 72 -11.066 0.197 2.389 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.308 1.589 2.574 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.206 -0.195 3.592 1.00 0.00 C ATOM 0 H THR A 72 -11.690 -0.971 -0.046 1.00 0.00 H new ATOM 0 HA THR A 72 -9.735 1.053 0.952 1.00 0.00 H new ATOM 0 HB THR A 72 -11.936 -0.457 2.337 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.806 1.727 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.801 -0.127 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.850 -1.218 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.353 0.480 3.665 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.002 -0.600 1.231 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.907 -1.556 1.226 1.00 0.00 C ATOM 1097 C VAL A 73 -6.384 -1.734 2.653 1.00 0.00 C ATOM 1098 O VAL A 73 -5.909 -0.781 3.267 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.823 -1.104 0.244 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.505 -1.835 0.508 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.279 -1.299 -1.203 1.00 0.00 C ATOM 0 H VAL A 73 -7.723 0.367 1.394 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.253 -2.531 0.883 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.652 -0.039 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.752 -1.496 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.168 -1.622 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.655 -2.908 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.491 -0.970 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.492 -2.354 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.180 -0.712 -1.383 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.490 -2.962 3.138 1.00 0.00 N ATOM 1112 CA LEU A 74 -6.034 -3.278 4.481 1.00 0.00 C ATOM 1113 C LEU A 74 -4.579 -3.748 4.424 1.00 0.00 C ATOM 1114 O LEU A 74 -4.244 -4.650 3.657 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.978 -4.282 5.145 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.906 -4.362 6.671 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.457 -4.484 7.146 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.623 -3.174 7.317 1.00 0.00 C ATOM 0 H LEU A 74 -6.885 -3.750 2.625 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.058 -2.388 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.000 -4.031 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.768 -5.271 4.739 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.427 -5.265 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.434 -4.539 8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.012 -5.387 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.891 -3.613 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.557 -3.255 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.153 -2.245 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.671 -3.174 7.016 1.00 0.00 H new ATOM 1130 N MET A 75 -3.753 -3.115 5.244 1.00 0.00 N ATOM 1131 CA MET A 75 -2.342 -3.457 5.296 1.00 0.00 C ATOM 1132 C MET A 75 -1.944 -3.932 6.695 1.00 0.00 C ATOM 1133 O MET A 75 -2.511 -3.484 7.691 1.00 0.00 O ATOM 1134 CB MET A 75 -1.506 -2.233 4.916 1.00 0.00 C ATOM 1135 CG MET A 75 -0.089 -2.643 4.509 1.00 0.00 C ATOM 1136 SD MET A 75 1.008 -2.520 5.912 1.00 0.00 S ATOM 1137 CE MET A 75 1.726 -0.915 5.604 1.00 0.00 C ATOM 0 H MET A 75 -4.034 -2.367 5.878 1.00 0.00 H new ATOM 0 HA MET A 75 -2.158 -4.268 4.591 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.985 -1.702 4.094 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.461 -1.543 5.758 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.092 -3.664 4.128 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.266 -2.002 3.702 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.808 -1.012 5.510 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.317 -0.505 4.681 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.492 -0.247 6.433 1.00 0.00 H new ATOM 1147 N MET A 76 -0.973 -4.833 6.726 1.00 0.00 N ATOM 1148 CA MET A 76 -0.493 -5.373 7.986 1.00 0.00 C ATOM 1149 C MET A 76 1.012 -5.641 7.930 1.00 0.00 C ATOM 1150 O MET A 76 1.487 -6.355 7.048 1.00 0.00 O ATOM 1151 CB MET A 76 -1.232 -6.677 8.297 1.00 0.00 C ATOM 1152 CG MET A 76 -2.610 -6.395 8.899 1.00 0.00 C ATOM 1153 SD MET A 76 -2.657 -6.939 10.599 1.00 0.00 S ATOM 1154 CE MET A 76 -1.596 -5.713 11.345 1.00 0.00 C ATOM 0 H MET A 76 -0.506 -5.203 5.898 1.00 0.00 H new ATOM 0 HA MET A 76 -0.684 -4.640 8.770 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.343 -7.263 7.385 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.643 -7.276 8.992 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.829 -5.329 8.844 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.380 -6.909 8.323 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.599 -5.840 12.428 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.580 -5.833 10.968 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.960 -4.716 11.095 1.00 0.00 H new ATOM 1164 N GLY A 77 1.721 -5.053 8.883 1.00 0.00 N ATOM 1165 CA GLY A 77 3.163 -5.219 8.954 1.00 0.00 C ATOM 1166 C GLY A 77 3.804 -4.097 9.773 1.00 0.00 C ATOM 1167 O GLY A 77 3.115 -3.188 10.234 1.00 0.00 O ATOM 0 H GLY A 77 1.324 -4.461 9.612 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.400 -6.183 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.582 -5.225 7.948 1.00 0.00 H new ATOM 1171 N SER A 78 5.116 -4.198 9.930 1.00 0.00 N ATOM 1172 CA SER A 78 5.858 -3.204 10.686 1.00 0.00 C ATOM 1173 C SER A 78 7.114 -2.792 9.916 1.00 0.00 C ATOM 1174 O SER A 78 7.481 -3.431 8.932 1.00 0.00 O ATOM 1175 CB SER A 78 6.233 -3.732 12.072 1.00 0.00 C ATOM 1176 OG SER A 78 5.449 -3.136 13.101 1.00 0.00 O ATOM 0 H SER A 78 5.684 -4.953 9.546 1.00 0.00 H new ATOM 0 HA SER A 78 5.220 -2.331 10.821 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.100 -4.814 12.096 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.288 -3.536 12.261 1.00 0.00 H new ATOM 0 HG SER A 78 5.718 -3.501 13.970 1.00 0.00 H new ATOM 1182 N ALA A 79 7.740 -1.726 10.395 1.00 0.00 N ATOM 1183 CA ALA A 79 8.948 -1.222 9.764 1.00 0.00 C ATOM 1184 C ALA A 79 9.952 -0.818 10.845 1.00 0.00 C ATOM 1185 O ALA A 79 9.784 0.209 11.501 1.00 0.00 O ATOM 1186 CB ALA A 79 8.592 -0.059 8.835 1.00 0.00 C ATOM 0 H ALA A 79 7.433 -1.198 11.212 1.00 0.00 H new ATOM 0 HA ALA A 79 9.414 -1.996 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.498 0.319 8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.899 -0.405 8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.125 0.738 9.413 1.00 0.00 H new