USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 800 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 93 ASN : amide:sc= -4.16! C(o=-3.5!,f=-8.5!) USER MOD Set 1.2: A 97 SER OG : rot 68:sc= 0.654 USER MOD Set 2.1: A 19 ASN : amide:sc= -0.984 K(o=-0.49,f=-1.2) USER MOD Set 2.2: A 80 ASN : amide:sc= 0.49 K(o=-0.49,f=-1.2) USER MOD Set 3.1: A 39 TYR OH : rot 69:sc= 1.58 USER MOD Set 3.2: A 40 LYS NZ :NH3+ -152:sc= 1.86 (180deg=0.345) USER MOD Set 4.1: A 33 ASN : amide:sc=-0.00777 X(o=-0.032,f=0.32) USER MOD Set 4.2: A 35 GLN : amide:sc= -0.0238 X(o=-0.032,f=0.32) USER MOD Set 5.1: A 12 TYR OH : rot 44:sc= 1.06 USER MOD Set 5.2: A 98 SER OG : rot 77:sc= 2.19 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.05) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 18 TYR OH : rot 15:sc= 0.302 USER MOD Single : A 21 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.34) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.604 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 27 THR OG1 : rot 161:sc= 1.43 USER MOD Single : A 29 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.07) USER MOD Single : A 32 GLN : amide:sc= -0.475 K(o=-0.48,f=-1.3) USER MOD Single : A 36 THR OG1 : rot 102:sc= 0.0934 USER MOD Single : A 41 SER OG : rot -2:sc= 1.16 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0494 F(o=-0.63,f=-0.049) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -38:sc= 1.08 USER MOD Single : A 49 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.033) USER MOD Single : A 50 LYS NZ :NH3+ -101:sc= 0.547 (180deg=-1.6!) USER MOD Single : A 51 ASN : amide:sc=-0.00601 X(o=-0.006,f=-0.006) USER MOD Single : A 52 ASN : amide:sc= 1.1 K(o=1.1,f=-0.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 60 SER OG : rot 100:sc= -1.82! USER MOD Single : A 62 SER OG : rot -139:sc= 0.0542 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.105 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 74 MET CE :methyl -125:sc= -2.04 (180deg=-3.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= -0.419 (180deg=-0.419) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 82 THR OG1 : rot 80:sc= -0.472 USER MOD Single : A 85 SER OG : rot 151:sc= 1.1 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.11) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 123:sc= 1.26 USER MOD Single : A 91 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.22) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 107 ASN : amide:sc= -0.498! X(o=-0.5!,f=-0.13) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.183 -10.660 6.177 1.00 32.13 N ATOM 73 CA GLN A 6 -1.202 -11.712 6.386 1.00 52.44 C ATOM 74 C GLN A 6 0.127 -11.339 5.756 1.00 72.20 C ATOM 75 O GLN A 6 0.175 -10.659 4.734 1.00 61.32 O ATOM 76 CB GLN A 6 -1.673 -13.040 5.776 1.00 20.32 C ATOM 77 CG GLN A 6 -2.939 -13.619 6.382 1.00 2.25 C ATOM 78 CD GLN A 6 -3.332 -14.927 5.735 1.00 71.45 C ATOM 79 OE1 GLN A 6 -4.063 -14.956 4.766 1.00 75.25 O ATOM 80 NE2 GLN A 6 -2.849 -16.022 6.268 1.00 51.13 N ATOM 0 HA GLN A 6 -1.083 -11.830 7.463 1.00 52.44 H new ATOM 0 HB2 GLN A 6 -1.835 -12.893 4.708 1.00 20.32 H new ATOM 0 HB3 GLN A 6 -0.872 -13.773 5.879 1.00 20.32 H new ATOM 0 HG2 GLN A 6 -2.791 -13.774 7.451 1.00 2.25 H new ATOM 0 HG3 GLN A 6 -3.753 -12.902 6.273 1.00 2.25 H new ATOM 0 HE21 GLN A 6 -2.237 -15.966 7.082 1.00 51.13 H new ATOM 0 HE22 GLN A 6 -3.085 -16.931 5.869 1.00 51.13 H new ATOM 89 N TYR A 7 1.191 -11.755 6.381 1.00 54.41 N ATOM 90 CA TYR A 7 2.514 -11.572 5.846 1.00 64.11 C ATOM 91 C TYR A 7 3.176 -12.930 5.675 1.00 53.15 C ATOM 92 O TYR A 7 3.142 -13.759 6.586 1.00 61.33 O ATOM 93 CB TYR A 7 3.364 -10.610 6.722 1.00 51.12 C ATOM 94 CG TYR A 7 3.481 -10.983 8.196 1.00 55.12 C ATOM 95 CD1 TYR A 7 2.518 -10.574 9.114 1.00 13.24 C ATOM 96 CD2 TYR A 7 4.556 -11.730 8.667 1.00 21.11 C ATOM 97 CE1 TYR A 7 2.619 -10.904 10.452 1.00 45.41 C ATOM 98 CE2 TYR A 7 4.664 -12.063 10.004 1.00 51.33 C ATOM 99 CZ TYR A 7 3.693 -11.647 10.892 1.00 54.30 C ATOM 100 OH TYR A 7 3.798 -11.974 12.224 1.00 24.55 O ATOM 0 H TYR A 7 1.167 -12.234 7.281 1.00 54.41 H new ATOM 0 HA TYR A 7 2.439 -11.095 4.869 1.00 64.11 H new ATOM 0 HB2 TYR A 7 4.367 -10.556 6.300 1.00 51.12 H new ATOM 0 HB3 TYR A 7 2.934 -9.611 6.653 1.00 51.12 H new ATOM 0 HD1 TYR A 7 1.677 -9.988 8.774 1.00 13.24 H new ATOM 0 HD2 TYR A 7 5.319 -12.055 7.976 1.00 21.11 H new ATOM 0 HE1 TYR A 7 1.860 -10.581 11.149 1.00 45.41 H new ATOM 0 HE2 TYR A 7 5.504 -12.646 10.352 1.00 51.33 H new ATOM 0 HH TYR A 7 4.612 -12.501 12.368 1.00 24.55 H new ATOM 110 N LYS A 8 3.724 -13.180 4.517 1.00 53.24 N ATOM 111 CA LYS A 8 4.385 -14.432 4.253 1.00 43.14 C ATOM 112 C LYS A 8 5.607 -14.178 3.402 1.00 13.11 C ATOM 113 O LYS A 8 5.500 -13.642 2.313 1.00 44.14 O ATOM 114 CB LYS A 8 3.422 -15.414 3.545 1.00 2.24 C ATOM 115 CG LYS A 8 4.004 -16.808 3.250 1.00 43.20 C ATOM 116 CD LYS A 8 4.391 -17.558 4.527 1.00 41.12 C ATOM 117 CE LYS A 8 4.885 -18.981 4.232 1.00 71.22 C ATOM 118 NZ LYS A 8 6.121 -19.010 3.420 1.00 61.14 N ATOM 0 H LYS A 8 3.726 -12.527 3.733 1.00 53.24 H new ATOM 0 HA LYS A 8 4.692 -14.885 5.196 1.00 43.14 H new ATOM 0 HB2 LYS A 8 2.532 -15.533 4.163 1.00 2.24 H new ATOM 0 HB3 LYS A 8 3.100 -14.967 2.605 1.00 2.24 H new ATOM 0 HG2 LYS A 8 3.272 -17.395 2.694 1.00 43.20 H new ATOM 0 HG3 LYS A 8 4.881 -16.705 2.612 1.00 43.20 H new ATOM 0 HD2 LYS A 8 5.171 -17.005 5.050 1.00 41.12 H new ATOM 0 HD3 LYS A 8 3.531 -17.604 5.195 1.00 41.12 H new ATOM 0 HE2 LYS A 8 5.064 -19.499 5.174 1.00 71.22 H new ATOM 0 HE3 LYS A 8 4.101 -19.530 3.710 1.00 71.22 H new ATOM 0 HZ1 LYS A 8 6.395 -19.997 3.240 1.00 61.14 H new ATOM 0 HZ2 LYS A 8 5.953 -18.527 2.515 1.00 61.14 H new ATOM 0 HZ3 LYS A 8 6.885 -18.527 3.934 1.00 61.14 H new ATOM 132 N ASP A 9 6.763 -14.540 3.947 1.00 41.11 N ATOM 133 CA ASP A 9 8.094 -14.423 3.290 1.00 73.34 C ATOM 134 C ASP A 9 8.343 -12.989 2.845 1.00 12.02 C ATOM 135 O ASP A 9 8.988 -12.727 1.836 1.00 35.32 O ATOM 136 CB ASP A 9 8.191 -15.370 2.071 1.00 73.14 C ATOM 137 CG ASP A 9 7.759 -16.779 2.386 1.00 52.53 C ATOM 138 OD1 ASP A 9 8.152 -17.338 3.449 1.00 54.32 O ATOM 139 OD2 ASP A 9 6.917 -17.342 1.641 1.00 4.13 O ATOM 0 H ASP A 9 6.820 -14.937 4.885 1.00 41.11 H new ATOM 0 HA ASP A 9 8.854 -14.709 4.017 1.00 73.34 H new ATOM 0 HB2 ASP A 9 7.573 -14.978 1.263 1.00 73.14 H new ATOM 0 HB3 ASP A 9 9.219 -15.383 1.709 1.00 73.14 H new ATOM 144 N GLY A 10 7.884 -12.057 3.652 1.00 31.15 N ATOM 145 CA GLY A 10 8.059 -10.662 3.352 1.00 34.13 C ATOM 146 C GLY A 10 6.909 -10.094 2.536 1.00 2.34 C ATOM 147 O GLY A 10 6.646 -8.902 2.595 1.00 64.44 O ATOM 0 H GLY A 10 7.386 -12.246 4.522 1.00 31.15 H new ATOM 0 HA2 GLY A 10 8.151 -10.102 4.283 1.00 34.13 H new ATOM 0 HA3 GLY A 10 8.991 -10.526 2.804 1.00 34.13 H new ATOM 151 N TYR A 11 6.249 -10.941 1.777 1.00 11.24 N ATOM 152 CA TYR A 11 5.119 -10.551 0.953 1.00 35.23 C ATOM 153 C TYR A 11 3.918 -10.279 1.846 1.00 31.24 C ATOM 154 O TYR A 11 3.607 -11.063 2.747 1.00 61.25 O ATOM 155 CB TYR A 11 4.840 -11.638 -0.116 1.00 24.25 C ATOM 156 CG TYR A 11 3.584 -11.446 -0.951 1.00 34.41 C ATOM 157 CD1 TYR A 11 3.329 -10.257 -1.629 1.00 34.42 C ATOM 158 CD2 TYR A 11 2.647 -12.461 -1.044 1.00 74.12 C ATOM 159 CE1 TYR A 11 2.171 -10.092 -2.373 1.00 43.40 C ATOM 160 CE2 TYR A 11 1.493 -12.303 -1.781 1.00 63.11 C ATOM 161 CZ TYR A 11 1.256 -11.121 -2.441 1.00 62.24 C ATOM 162 OH TYR A 11 0.084 -10.967 -3.159 1.00 35.13 O ATOM 0 H TYR A 11 6.482 -11.932 1.712 1.00 11.24 H new ATOM 0 HA TYR A 11 5.341 -9.631 0.412 1.00 35.23 H new ATOM 0 HB2 TYR A 11 5.696 -11.685 -0.789 1.00 24.25 H new ATOM 0 HB3 TYR A 11 4.775 -12.604 0.385 1.00 24.25 H new ATOM 0 HD1 TYR A 11 4.045 -9.450 -1.574 1.00 34.42 H new ATOM 0 HD2 TYR A 11 2.824 -13.394 -0.529 1.00 74.12 H new ATOM 0 HE1 TYR A 11 1.987 -9.165 -2.895 1.00 43.40 H new ATOM 0 HE2 TYR A 11 0.775 -13.108 -1.840 1.00 63.11 H new ATOM 0 HH TYR A 11 -0.445 -11.790 -3.102 1.00 35.13 H new ATOM 172 N TYR A 12 3.275 -9.167 1.618 1.00 31.10 N ATOM 173 CA TYR A 12 2.206 -8.738 2.475 1.00 70.45 C ATOM 174 C TYR A 12 0.904 -8.797 1.699 1.00 24.43 C ATOM 175 O TYR A 12 0.819 -8.280 0.568 1.00 53.13 O ATOM 176 CB TYR A 12 2.489 -7.312 2.943 1.00 64.23 C ATOM 177 CG TYR A 12 1.906 -6.952 4.290 1.00 32.33 C ATOM 178 CD1 TYR A 12 2.601 -7.260 5.455 1.00 55.23 C ATOM 179 CD2 TYR A 12 0.692 -6.290 4.409 1.00 43.10 C ATOM 180 CE1 TYR A 12 2.106 -6.924 6.697 1.00 62.30 C ATOM 181 CE2 TYR A 12 0.191 -5.947 5.652 1.00 53.41 C ATOM 182 CZ TYR A 12 0.905 -6.268 6.793 1.00 24.12 C ATOM 183 OH TYR A 12 0.411 -5.928 8.033 1.00 10.43 O ATOM 0 H TYR A 12 3.475 -8.538 0.840 1.00 31.10 H new ATOM 0 HA TYR A 12 2.128 -9.386 3.348 1.00 70.45 H new ATOM 0 HB2 TYR A 12 3.569 -7.166 2.981 1.00 64.23 H new ATOM 0 HB3 TYR A 12 2.099 -6.618 2.198 1.00 64.23 H new ATOM 0 HD1 TYR A 12 3.549 -7.773 5.385 1.00 55.23 H new ATOM 0 HD2 TYR A 12 0.132 -6.040 3.520 1.00 43.10 H new ATOM 0 HE1 TYR A 12 2.660 -7.176 7.589 1.00 62.30 H new ATOM 0 HE2 TYR A 12 -0.754 -5.430 5.732 1.00 53.41 H new ATOM 0 HH TYR A 12 1.134 -5.564 8.585 1.00 10.43 H new ATOM 193 N ILE A 13 -0.075 -9.441 2.278 1.00 22.12 N ATOM 194 CA ILE A 13 -1.372 -9.623 1.671 1.00 11.31 C ATOM 195 C ILE A 13 -2.406 -9.052 2.613 1.00 1.11 C ATOM 196 O ILE A 13 -2.347 -9.319 3.808 1.00 74.32 O ATOM 197 CB ILE A 13 -1.701 -11.133 1.514 1.00 22.41 C ATOM 198 CG1 ILE A 13 -0.526 -11.880 0.883 1.00 4.21 C ATOM 199 CG2 ILE A 13 -2.965 -11.317 0.666 1.00 72.32 C ATOM 200 CD1 ILE A 13 -0.687 -13.386 0.851 1.00 13.11 C ATOM 0 H ILE A 13 0.006 -9.863 3.203 1.00 22.12 H new ATOM 0 HA ILE A 13 -1.374 -9.138 0.695 1.00 11.31 H new ATOM 0 HB ILE A 13 -1.880 -11.550 2.505 1.00 22.41 H new ATOM 0 HG12 ILE A 13 -0.387 -11.520 -0.136 1.00 4.21 H new ATOM 0 HG13 ILE A 13 0.382 -11.635 1.434 1.00 4.21 H new ATOM 0 HG21 ILE A 13 -3.183 -12.380 0.564 1.00 72.32 H new ATOM 0 HG22 ILE A 13 -3.804 -10.819 1.151 1.00 72.32 H new ATOM 0 HG23 ILE A 13 -2.807 -10.883 -0.321 1.00 72.32 H new ATOM 0 HD11 ILE A 13 0.191 -13.836 0.387 1.00 13.11 H new ATOM 0 HD12 ILE A 13 -0.793 -13.762 1.868 1.00 13.11 H new ATOM 0 HD13 ILE A 13 -1.575 -13.645 0.274 1.00 13.11 H new ATOM 212 N THR A 14 -3.305 -8.248 2.116 1.00 52.43 N ATOM 213 CA THR A 14 -4.377 -7.775 2.938 1.00 15.20 C ATOM 214 C THR A 14 -5.532 -7.258 2.100 1.00 30.12 C ATOM 215 O THR A 14 -5.340 -6.583 1.081 1.00 65.32 O ATOM 216 CB THR A 14 -3.908 -6.711 3.980 1.00 30.42 C ATOM 217 OG1 THR A 14 -5.004 -6.278 4.827 1.00 41.31 O ATOM 218 CG2 THR A 14 -3.278 -5.516 3.300 1.00 75.21 C ATOM 0 H THR A 14 -3.315 -7.910 1.154 1.00 52.43 H new ATOM 0 HA THR A 14 -4.735 -8.633 3.507 1.00 15.20 H new ATOM 0 HB THR A 14 -3.156 -7.190 4.607 1.00 30.42 H new ATOM 0 HG1 THR A 14 -4.678 -5.614 5.470 1.00 41.31 H new ATOM 0 HG21 THR A 14 -2.962 -4.794 4.053 1.00 75.21 H new ATOM 0 HG22 THR A 14 -2.412 -5.840 2.723 1.00 75.21 H new ATOM 0 HG23 THR A 14 -4.005 -5.051 2.634 1.00 75.21 H new ATOM 226 N THR A 15 -6.704 -7.620 2.493 1.00 35.33 N ATOM 227 CA THR A 15 -7.896 -7.145 1.877 1.00 72.02 C ATOM 228 C THR A 15 -8.445 -5.979 2.706 1.00 51.20 C ATOM 229 O THR A 15 -8.364 -5.988 3.939 1.00 55.40 O ATOM 230 CB THR A 15 -8.937 -8.275 1.803 1.00 64.13 C ATOM 231 OG1 THR A 15 -8.344 -9.429 1.183 1.00 12.14 O ATOM 232 CG2 THR A 15 -10.163 -7.850 1.003 1.00 24.44 C ATOM 0 H THR A 15 -6.865 -8.266 3.266 1.00 35.33 H new ATOM 0 HA THR A 15 -7.680 -6.808 0.863 1.00 72.02 H new ATOM 0 HB THR A 15 -9.256 -8.511 2.818 1.00 64.13 H new ATOM 0 HG1 THR A 15 -9.005 -10.151 1.136 1.00 12.14 H new ATOM 0 HG21 THR A 15 -10.879 -8.671 0.970 1.00 24.44 H new ATOM 0 HG22 THR A 15 -10.625 -6.985 1.478 1.00 24.44 H new ATOM 0 HG23 THR A 15 -9.863 -7.590 -0.012 1.00 24.44 H new ATOM 240 N LEU A 16 -8.903 -4.953 2.032 1.00 22.20 N ATOM 241 CA LEU A 16 -9.497 -3.809 2.663 1.00 73.24 C ATOM 242 C LEU A 16 -10.909 -3.621 2.129 1.00 54.24 C ATOM 243 O LEU A 16 -11.122 -3.487 0.915 1.00 1.03 O ATOM 244 CB LEU A 16 -8.656 -2.520 2.411 1.00 55.55 C ATOM 245 CG LEU A 16 -7.338 -2.333 3.204 1.00 2.41 C ATOM 246 CD1 LEU A 16 -7.574 -2.416 4.705 1.00 1.02 C ATOM 247 CD2 LEU A 16 -6.252 -3.304 2.763 1.00 52.34 C ATOM 0 H LEU A 16 -8.871 -4.892 1.014 1.00 22.20 H new ATOM 0 HA LEU A 16 -9.525 -3.982 3.739 1.00 73.24 H new ATOM 0 HB2 LEU A 16 -8.412 -2.485 1.349 1.00 55.55 H new ATOM 0 HB3 LEU A 16 -9.294 -1.661 2.620 1.00 55.55 H new ATOM 0 HG LEU A 16 -6.978 -1.330 2.976 1.00 2.41 H new ATOM 0 HD11 LEU A 16 -6.628 -2.281 5.230 1.00 1.02 H new ATOM 0 HD12 LEU A 16 -8.272 -1.635 5.007 1.00 1.02 H new ATOM 0 HD13 LEU A 16 -7.991 -3.392 4.954 1.00 1.02 H new ATOM 0 HD21 LEU A 16 -5.350 -3.131 3.349 1.00 52.34 H new ATOM 0 HD22 LEU A 16 -6.594 -4.327 2.917 1.00 52.34 H new ATOM 0 HD23 LEU A 16 -6.033 -3.150 1.706 1.00 52.34 H new ATOM 259 N ASN A 17 -11.881 -3.621 3.006 1.00 32.31 N ATOM 260 CA ASN A 17 -13.257 -3.396 2.580 1.00 21.22 C ATOM 261 C ASN A 17 -13.552 -1.919 2.617 1.00 62.14 C ATOM 262 O ASN A 17 -14.259 -1.432 3.485 1.00 54.54 O ATOM 263 CB ASN A 17 -14.298 -4.167 3.422 1.00 51.01 C ATOM 264 CG ASN A 17 -14.166 -5.687 3.387 1.00 71.44 C ATOM 265 OD1 ASN A 17 -13.623 -6.238 2.322 1.00 30.02 O flip ATOM 266 ND2 ASN A 17 -14.557 -6.367 4.343 1.00 72.31 N flip ATOM 0 H ASN A 17 -11.758 -3.771 4.007 1.00 32.31 H new ATOM 0 HA ASN A 17 -13.345 -3.781 1.564 1.00 21.22 H new ATOM 0 HB2 ASN A 17 -14.221 -3.836 4.458 1.00 51.01 H new ATOM 0 HB3 ASN A 17 -15.295 -3.897 3.074 1.00 51.01 H new ATOM 0 HD21 ASN A 17 -14.974 -5.913 5.155 1.00 72.31 H new ATOM 0 HD22 ASN A 17 -14.462 -7.382 4.319 1.00 72.31 H new ATOM 273 N TYR A 18 -12.919 -1.213 1.719 1.00 1.44 N ATOM 274 CA TYR A 18 -13.019 0.219 1.609 1.00 61.14 C ATOM 275 C TYR A 18 -12.954 0.542 0.137 1.00 31.34 C ATOM 276 O TYR A 18 -12.385 -0.248 -0.629 1.00 20.15 O ATOM 277 CB TYR A 18 -11.853 0.921 2.342 1.00 62.33 C ATOM 278 CG TYR A 18 -11.770 0.698 3.856 1.00 32.12 C ATOM 279 CD1 TYR A 18 -11.120 -0.409 4.382 1.00 64.42 C ATOM 280 CD2 TYR A 18 -12.325 1.605 4.750 1.00 44.53 C ATOM 281 CE1 TYR A 18 -11.027 -0.614 5.740 1.00 43.20 C ATOM 282 CE2 TYR A 18 -12.230 1.412 6.117 1.00 53.34 C ATOM 283 CZ TYR A 18 -11.579 0.299 6.603 1.00 5.14 C ATOM 284 OH TYR A 18 -11.471 0.095 7.966 1.00 42.21 O ATOM 0 H TYR A 18 -12.301 -1.630 1.023 1.00 1.44 H new ATOM 0 HA TYR A 18 -13.946 0.568 2.064 1.00 61.14 H new ATOM 0 HB2 TYR A 18 -10.917 0.586 1.895 1.00 62.33 H new ATOM 0 HB3 TYR A 18 -11.929 1.993 2.158 1.00 62.33 H new ATOM 0 HD1 TYR A 18 -10.676 -1.128 3.709 1.00 64.42 H new ATOM 0 HD2 TYR A 18 -12.840 2.476 4.372 1.00 44.53 H new ATOM 0 HE1 TYR A 18 -10.523 -1.488 6.124 1.00 43.20 H new ATOM 0 HE2 TYR A 18 -12.663 2.129 6.799 1.00 53.34 H new ATOM 0 HH TYR A 18 -10.790 -0.587 8.142 1.00 42.21 H new ATOM 294 N ASN A 19 -13.502 1.685 -0.257 1.00 1.15 N ATOM 295 CA ASN A 19 -13.581 2.063 -1.667 1.00 31.44 C ATOM 296 C ASN A 19 -12.237 2.344 -2.277 1.00 31.14 C ATOM 297 O ASN A 19 -11.464 3.152 -1.770 1.00 64.40 O ATOM 298 CB ASN A 19 -14.548 3.221 -1.907 1.00 72.22 C ATOM 299 CG ASN A 19 -16.015 2.794 -1.976 1.00 50.11 C ATOM 300 OD1 ASN A 19 -16.811 3.410 -2.666 1.00 45.13 O ATOM 301 ND2 ASN A 19 -16.376 1.728 -1.303 1.00 63.24 N ATOM 0 H ASN A 19 -13.901 2.372 0.383 1.00 1.15 H new ATOM 0 HA ASN A 19 -13.983 1.188 -2.178 1.00 31.44 H new ATOM 0 HB2 ASN A 19 -14.429 3.953 -1.108 1.00 72.22 H new ATOM 0 HB3 ASN A 19 -14.280 3.719 -2.839 1.00 72.22 H new ATOM 0 HD21 ASN A 19 -17.340 1.398 -1.350 1.00 63.24 H new ATOM 0 HD22 ASN A 19 -15.693 1.229 -0.733 1.00 63.24 H new ATOM 308 N PHE A 20 -12.000 1.692 -3.386 1.00 64.34 N ATOM 309 CA PHE A 20 -10.741 1.716 -4.120 1.00 42.43 C ATOM 310 C PHE A 20 -10.199 3.122 -4.386 1.00 20.04 C ATOM 311 O PHE A 20 -9.013 3.373 -4.205 1.00 73.03 O ATOM 312 CB PHE A 20 -10.917 0.909 -5.408 1.00 31.35 C ATOM 313 CG PHE A 20 -11.799 1.511 -6.496 1.00 3.41 C ATOM 314 CD1 PHE A 20 -13.184 1.525 -6.371 1.00 60.04 C ATOM 315 CD2 PHE A 20 -11.239 2.031 -7.647 1.00 44.55 C ATOM 316 CE1 PHE A 20 -13.979 2.048 -7.373 1.00 15.14 C ATOM 317 CE2 PHE A 20 -12.027 2.552 -8.652 1.00 61.44 C ATOM 318 CZ PHE A 20 -13.400 2.561 -8.516 1.00 34.14 C ATOM 0 H PHE A 20 -12.704 1.101 -3.829 1.00 64.34 H new ATOM 0 HA PHE A 20 -9.976 1.257 -3.493 1.00 42.43 H new ATOM 0 HB2 PHE A 20 -9.929 0.734 -5.834 1.00 31.35 H new ATOM 0 HB3 PHE A 20 -11.327 -0.065 -5.142 1.00 31.35 H new ATOM 0 HD1 PHE A 20 -13.644 1.122 -5.480 1.00 60.04 H new ATOM 0 HD2 PHE A 20 -10.165 2.030 -7.762 1.00 44.55 H new ATOM 0 HE1 PHE A 20 -15.053 2.055 -7.262 1.00 15.14 H new ATOM 0 HE2 PHE A 20 -11.570 2.953 -9.545 1.00 61.44 H new ATOM 0 HZ PHE A 20 -14.020 2.968 -9.301 1.00 34.14 H new ATOM 328 N ASN A 21 -11.082 4.024 -4.753 1.00 31.02 N ATOM 329 CA ASN A 21 -10.703 5.421 -5.097 1.00 52.20 C ATOM 330 C ASN A 21 -9.974 6.103 -3.951 1.00 62.10 C ATOM 331 O ASN A 21 -8.899 6.674 -4.137 1.00 30.14 O ATOM 332 CB ASN A 21 -11.937 6.274 -5.425 1.00 32.02 C ATOM 333 CG ASN A 21 -12.801 5.699 -6.508 1.00 11.43 C ATOM 334 OD1 ASN A 21 -13.709 4.938 -6.230 1.00 62.03 O ATOM 335 ND2 ASN A 21 -12.538 6.055 -7.739 1.00 21.44 N ATOM 0 H ASN A 21 -12.082 3.835 -4.828 1.00 31.02 H new ATOM 0 HA ASN A 21 -10.051 5.347 -5.967 1.00 52.20 H new ATOM 0 HB2 ASN A 21 -12.535 6.394 -4.521 1.00 32.02 H new ATOM 0 HB3 ASN A 21 -11.610 7.270 -5.725 1.00 32.02 H new ATOM 0 HD21 ASN A 21 -13.103 5.692 -8.507 1.00 21.44 H new ATOM 0 HD22 ASN A 21 -11.768 6.695 -7.931 1.00 21.44 H new ATOM 342 N THR A 22 -10.548 6.024 -2.770 1.00 5.54 N ATOM 343 CA THR A 22 -9.966 6.646 -1.616 1.00 3.42 C ATOM 344 C THR A 22 -8.693 5.926 -1.171 1.00 72.33 C ATOM 345 O THR A 22 -7.751 6.570 -0.707 1.00 71.35 O ATOM 346 CB THR A 22 -10.983 6.903 -0.452 1.00 14.14 C ATOM 347 OG1 THR A 22 -10.334 7.489 0.682 1.00 51.22 O ATOM 348 CG2 THR A 22 -11.713 5.644 -0.032 1.00 60.44 C ATOM 0 H THR A 22 -11.422 5.530 -2.590 1.00 5.54 H new ATOM 0 HA THR A 22 -9.666 7.647 -1.926 1.00 3.42 H new ATOM 0 HB THR A 22 -11.723 7.602 -0.841 1.00 14.14 H new ATOM 0 HG1 THR A 22 -10.991 7.640 1.393 1.00 51.22 H new ATOM 0 HG21 THR A 22 -12.405 5.877 0.777 1.00 60.44 H new ATOM 0 HG22 THR A 22 -12.268 5.245 -0.881 1.00 60.44 H new ATOM 0 HG23 THR A 22 -10.992 4.902 0.310 1.00 60.44 H new ATOM 356 N VAL A 23 -8.679 4.593 -1.308 1.00 61.32 N ATOM 357 CA VAL A 23 -7.507 3.777 -0.960 1.00 35.11 C ATOM 358 C VAL A 23 -6.276 4.235 -1.749 1.00 60.22 C ATOM 359 O VAL A 23 -5.198 4.405 -1.179 1.00 64.33 O ATOM 360 CB VAL A 23 -7.754 2.257 -1.230 1.00 31.42 C ATOM 361 CG1 VAL A 23 -6.520 1.433 -0.906 1.00 22.22 C ATOM 362 CG2 VAL A 23 -8.933 1.740 -0.430 1.00 12.32 C ATOM 0 H VAL A 23 -9.471 4.054 -1.659 1.00 61.32 H new ATOM 0 HA VAL A 23 -7.332 3.913 0.107 1.00 35.11 H new ATOM 0 HB VAL A 23 -7.978 2.154 -2.292 1.00 31.42 H new ATOM 0 HG11 VAL A 23 -6.723 0.381 -1.104 1.00 22.22 H new ATOM 0 HG12 VAL A 23 -5.688 1.765 -1.527 1.00 22.22 H new ATOM 0 HG13 VAL A 23 -6.263 1.561 0.145 1.00 22.22 H new ATOM 0 HG21 VAL A 23 -9.079 0.680 -0.640 1.00 12.32 H new ATOM 0 HG22 VAL A 23 -8.738 1.876 0.634 1.00 12.32 H new ATOM 0 HG23 VAL A 23 -9.831 2.292 -0.708 1.00 12.32 H new ATOM 372 N TYR A 24 -6.460 4.475 -3.049 1.00 53.24 N ATOM 373 CA TYR A 24 -5.376 4.896 -3.922 1.00 41.15 C ATOM 374 C TYR A 24 -4.750 6.191 -3.420 1.00 45.25 C ATOM 375 O TYR A 24 -3.520 6.322 -3.349 1.00 40.52 O ATOM 376 CB TYR A 24 -5.876 5.099 -5.360 1.00 30.23 C ATOM 377 CG TYR A 24 -6.493 3.883 -6.033 1.00 74.45 C ATOM 378 CD1 TYR A 24 -6.218 2.585 -5.610 1.00 34.35 C ATOM 379 CD2 TYR A 24 -7.352 4.045 -7.109 1.00 74.14 C ATOM 380 CE1 TYR A 24 -6.785 1.496 -6.231 1.00 54.42 C ATOM 381 CE2 TYR A 24 -7.919 2.958 -7.737 1.00 53.41 C ATOM 382 CZ TYR A 24 -7.633 1.687 -7.291 1.00 45.45 C ATOM 383 OH TYR A 24 -8.203 0.606 -7.904 1.00 41.14 O ATOM 0 H TYR A 24 -7.361 4.382 -3.518 1.00 53.24 H new ATOM 0 HA TYR A 24 -4.624 4.107 -3.915 1.00 41.15 H new ATOM 0 HB2 TYR A 24 -6.615 5.900 -5.356 1.00 30.23 H new ATOM 0 HB3 TYR A 24 -5.039 5.440 -5.969 1.00 30.23 H new ATOM 0 HD1 TYR A 24 -5.547 2.430 -4.778 1.00 34.35 H new ATOM 0 HD2 TYR A 24 -7.580 5.040 -7.461 1.00 74.14 H new ATOM 0 HE1 TYR A 24 -6.563 0.497 -5.886 1.00 54.42 H new ATOM 0 HE2 TYR A 24 -8.585 3.102 -8.575 1.00 53.41 H new ATOM 0 HH TYR A 24 -8.317 -0.117 -7.252 1.00 41.14 H new ATOM 393 N ASN A 25 -5.609 7.124 -3.053 1.00 51.45 N ATOM 394 CA ASN A 25 -5.183 8.430 -2.561 1.00 20.13 C ATOM 395 C ASN A 25 -4.459 8.280 -1.241 1.00 53.23 C ATOM 396 O ASN A 25 -3.362 8.806 -1.055 1.00 12.20 O ATOM 397 CB ASN A 25 -6.390 9.333 -2.342 1.00 14.23 C ATOM 398 CG ASN A 25 -5.994 10.769 -2.004 1.00 51.10 C ATOM 399 OD1 ASN A 25 -4.975 11.269 -2.453 1.00 51.03 O ATOM 400 ND2 ASN A 25 -6.792 11.433 -1.200 1.00 21.24 N ATOM 0 H ASN A 25 -6.621 7.002 -3.086 1.00 51.45 H new ATOM 0 HA ASN A 25 -4.519 8.870 -3.305 1.00 20.13 H new ATOM 0 HB2 ASN A 25 -7.008 9.332 -3.240 1.00 14.23 H new ATOM 0 HB3 ASN A 25 -7.000 8.928 -1.535 1.00 14.23 H new ATOM 0 HD21 ASN A 25 -6.567 12.392 -0.936 1.00 21.24 H new ATOM 0 HD22 ASN A 25 -7.637 10.990 -0.840 1.00 21.24 H new ATOM 407 N ALA A 26 -5.066 7.512 -0.354 1.00 13.11 N ATOM 408 CA ALA A 26 -4.564 7.320 1.005 1.00 25.51 C ATOM 409 C ALA A 26 -3.165 6.722 1.012 1.00 3.24 C ATOM 410 O ALA A 26 -2.297 7.201 1.732 1.00 73.44 O ATOM 411 CB ALA A 26 -5.521 6.455 1.812 1.00 13.11 C ATOM 0 H ALA A 26 -5.925 6.999 -0.552 1.00 13.11 H new ATOM 0 HA ALA A 26 -4.501 8.303 1.473 1.00 25.51 H new ATOM 0 HB1 ALA A 26 -5.130 6.323 2.821 1.00 13.11 H new ATOM 0 HB2 ALA A 26 -6.496 6.940 1.861 1.00 13.11 H new ATOM 0 HB3 ALA A 26 -5.624 5.481 1.333 1.00 13.11 H new ATOM 417 N THR A 27 -2.942 5.712 0.190 1.00 34.33 N ATOM 418 CA THR A 27 -1.637 5.084 0.079 1.00 61.10 C ATOM 419 C THR A 27 -0.584 6.101 -0.412 1.00 61.03 C ATOM 420 O THR A 27 0.518 6.199 0.150 1.00 53.31 O ATOM 421 CB THR A 27 -1.707 3.895 -0.902 1.00 53.51 C ATOM 422 OG1 THR A 27 -2.756 3.015 -0.494 1.00 60.52 O ATOM 423 CG2 THR A 27 -0.391 3.128 -0.936 1.00 21.13 C ATOM 0 H THR A 27 -3.655 5.306 -0.416 1.00 34.33 H new ATOM 0 HA THR A 27 -1.343 4.724 1.065 1.00 61.10 H new ATOM 0 HB THR A 27 -1.902 4.283 -1.902 1.00 53.51 H new ATOM 0 HG1 THR A 27 -3.013 2.442 -1.246 1.00 60.52 H new ATOM 0 HG21 THR A 27 -0.472 2.297 -1.636 1.00 21.13 H new ATOM 0 HG22 THR A 27 0.410 3.794 -1.255 1.00 21.13 H new ATOM 0 HG23 THR A 27 -0.168 2.744 0.059 1.00 21.13 H new ATOM 431 N LEU A 28 -0.954 6.878 -1.424 1.00 43.21 N ATOM 432 CA LEU A 28 -0.075 7.882 -2.007 1.00 52.34 C ATOM 433 C LEU A 28 0.293 8.954 -0.969 1.00 61.00 C ATOM 434 O LEU A 28 1.460 9.299 -0.796 1.00 4.45 O ATOM 435 CB LEU A 28 -0.762 8.528 -3.218 1.00 41.11 C ATOM 436 CG LEU A 28 0.035 9.599 -3.965 1.00 73.11 C ATOM 437 CD1 LEU A 28 1.277 9.004 -4.628 1.00 74.41 C ATOM 438 CD2 LEU A 28 -0.843 10.301 -4.989 1.00 11.42 C ATOM 0 H LEU A 28 -1.873 6.828 -1.863 1.00 43.21 H new ATOM 0 HA LEU A 28 0.845 7.396 -2.332 1.00 52.34 H new ATOM 0 HB2 LEU A 28 -1.019 7.739 -3.925 1.00 41.11 H new ATOM 0 HB3 LEU A 28 -1.699 8.973 -2.882 1.00 41.11 H new ATOM 0 HG LEU A 28 0.371 10.337 -3.237 1.00 73.11 H new ATOM 0 HD11 LEU A 28 1.822 9.790 -5.151 1.00 74.41 H new ATOM 0 HD12 LEU A 28 1.919 8.562 -3.867 1.00 74.41 H new ATOM 0 HD13 LEU A 28 0.976 8.236 -5.340 1.00 74.41 H new ATOM 0 HD21 LEU A 28 -0.259 11.059 -5.510 1.00 11.42 H new ATOM 0 HD22 LEU A 28 -1.216 9.572 -5.709 1.00 11.42 H new ATOM 0 HD23 LEU A 28 -1.684 10.775 -4.483 1.00 11.42 H new ATOM 450 N GLN A 29 -0.705 9.469 -0.296 1.00 63.00 N ATOM 451 CA GLN A 29 -0.515 10.471 0.742 1.00 64.23 C ATOM 452 C GLN A 29 0.305 9.929 1.905 1.00 15.50 C ATOM 453 O GLN A 29 1.194 10.604 2.398 1.00 60.22 O ATOM 454 CB GLN A 29 -1.853 10.980 1.245 1.00 34.43 C ATOM 455 CG GLN A 29 -2.698 11.645 0.179 1.00 32.24 C ATOM 456 CD GLN A 29 -2.053 12.883 -0.412 1.00 61.34 C ATOM 457 OE1 GLN A 29 -2.222 13.984 0.085 1.00 63.54 O ATOM 458 NE2 GLN A 29 -1.328 12.714 -1.492 1.00 1.50 N ATOM 0 H GLN A 29 -1.680 9.209 -0.448 1.00 63.00 H new ATOM 0 HA GLN A 29 0.038 11.298 0.296 1.00 64.23 H new ATOM 0 HB2 GLN A 29 -2.412 10.146 1.669 1.00 34.43 H new ATOM 0 HB3 GLN A 29 -1.680 11.691 2.053 1.00 34.43 H new ATOM 0 HG2 GLN A 29 -2.893 10.929 -0.619 1.00 32.24 H new ATOM 0 HG3 GLN A 29 -3.663 11.916 0.607 1.00 32.24 H new ATOM 0 HE21 GLN A 29 -1.206 11.780 -1.883 1.00 1.50 H new ATOM 0 HE22 GLN A 29 -0.886 13.517 -1.941 1.00 1.50 H new ATOM 467 N ALA A 30 0.025 8.695 2.302 1.00 41.33 N ATOM 468 CA ALA A 30 0.708 8.052 3.419 1.00 10.11 C ATOM 469 C ALA A 30 2.210 8.004 3.209 1.00 3.43 C ATOM 470 O ALA A 30 2.983 8.224 4.139 1.00 45.44 O ATOM 471 CB ALA A 30 0.184 6.646 3.615 1.00 51.22 C ATOM 0 H ALA A 30 -0.683 8.110 1.859 1.00 41.33 H new ATOM 0 HA ALA A 30 0.507 8.649 4.308 1.00 10.11 H new ATOM 0 HB1 ALA A 30 0.702 6.178 4.452 1.00 51.22 H new ATOM 0 HB2 ALA A 30 -0.885 6.682 3.825 1.00 51.22 H new ATOM 0 HB3 ALA A 30 0.357 6.064 2.710 1.00 51.22 H new ATOM 477 N ILE A 31 2.631 7.731 2.006 1.00 70.12 N ATOM 478 CA ILE A 31 4.043 7.691 1.744 1.00 63.54 C ATOM 479 C ILE A 31 4.612 9.087 1.520 1.00 24.12 C ATOM 480 O ILE A 31 5.585 9.450 2.156 1.00 71.23 O ATOM 481 CB ILE A 31 4.412 6.697 0.600 1.00 31.34 C ATOM 482 CG1 ILE A 31 5.920 6.700 0.272 1.00 13.35 C ATOM 483 CG2 ILE A 31 3.580 6.936 -0.652 1.00 1.32 C ATOM 484 CD1 ILE A 31 6.288 5.579 -0.634 1.00 41.34 C ATOM 0 H ILE A 31 2.031 7.536 1.205 1.00 70.12 H new ATOM 0 HA ILE A 31 4.522 7.297 2.640 1.00 63.54 H new ATOM 0 HB ILE A 31 4.170 5.703 0.977 1.00 31.34 H new ATOM 0 HG12 ILE A 31 6.189 7.648 -0.194 1.00 13.35 H new ATOM 0 HG13 ILE A 31 6.494 6.625 1.196 1.00 13.35 H new ATOM 0 HG21 ILE A 31 3.870 6.222 -1.423 1.00 1.32 H new ATOM 0 HG22 ILE A 31 2.523 6.807 -0.417 1.00 1.32 H new ATOM 0 HG23 ILE A 31 3.750 7.950 -1.014 1.00 1.32 H new ATOM 0 HD11 ILE A 31 7.357 5.615 -0.842 1.00 41.34 H new ATOM 0 HD12 ILE A 31 6.043 4.630 -0.157 1.00 41.34 H new ATOM 0 HD13 ILE A 31 5.734 5.669 -1.568 1.00 41.34 H new ATOM 496 N GLN A 32 3.923 9.909 0.735 1.00 14.44 N ATOM 497 CA GLN A 32 4.424 11.244 0.403 1.00 51.12 C ATOM 498 C GLN A 32 4.443 12.208 1.580 1.00 35.03 C ATOM 499 O GLN A 32 5.238 13.144 1.610 1.00 41.30 O ATOM 500 CB GLN A 32 3.704 11.852 -0.798 1.00 10.23 C ATOM 501 CG GLN A 32 3.984 11.119 -2.096 1.00 2.44 C ATOM 502 CD GLN A 32 5.475 10.987 -2.357 1.00 1.05 C ATOM 503 OE1 GLN A 32 6.095 10.023 -1.959 1.00 71.22 O ATOM 504 NE2 GLN A 32 6.057 11.962 -3.002 1.00 73.35 N ATOM 0 H GLN A 32 3.021 9.679 0.318 1.00 14.44 H new ATOM 0 HA GLN A 32 5.466 11.088 0.125 1.00 51.12 H new ATOM 0 HB2 GLN A 32 2.630 11.848 -0.610 1.00 10.23 H new ATOM 0 HB3 GLN A 32 4.005 12.894 -0.905 1.00 10.23 H new ATOM 0 HG2 GLN A 32 3.532 10.128 -2.059 1.00 2.44 H new ATOM 0 HG3 GLN A 32 3.516 11.652 -2.923 1.00 2.44 H new ATOM 0 HE21 GLN A 32 5.509 12.759 -3.324 1.00 73.35 H new ATOM 0 HE22 GLN A 32 7.060 11.926 -3.184 1.00 73.35 H new ATOM 513 N ASN A 33 3.577 11.988 2.540 1.00 52.22 N ATOM 514 CA ASN A 33 3.515 12.853 3.711 1.00 62.33 C ATOM 515 C ASN A 33 4.365 12.255 4.853 1.00 23.42 C ATOM 516 O ASN A 33 4.437 12.792 5.945 1.00 14.44 O ATOM 517 CB ASN A 33 2.034 13.073 4.127 1.00 42.31 C ATOM 518 CG ASN A 33 1.828 14.181 5.159 1.00 23.42 C ATOM 519 OD1 ASN A 33 1.811 13.946 6.348 1.00 10.03 O ATOM 520 ND2 ASN A 33 1.654 15.398 4.696 1.00 55.14 N ATOM 0 H ASN A 33 2.904 11.222 2.541 1.00 52.22 H new ATOM 0 HA ASN A 33 3.934 13.831 3.474 1.00 62.33 H new ATOM 0 HB2 ASN A 33 1.450 13.308 3.237 1.00 42.31 H new ATOM 0 HB3 ASN A 33 1.640 12.140 4.529 1.00 42.31 H new ATOM 0 HD21 ASN A 33 1.500 16.172 5.342 1.00 55.14 H new ATOM 0 HD22 ASN A 33 1.673 15.569 3.691 1.00 55.14 H new ATOM 527 N GLY A 34 5.034 11.134 4.559 1.00 1.11 N ATOM 528 CA GLY A 34 5.916 10.487 5.529 1.00 12.45 C ATOM 529 C GLY A 34 5.175 9.912 6.719 1.00 41.50 C ATOM 530 O GLY A 34 5.594 10.072 7.857 1.00 13.41 O ATOM 0 H GLY A 34 4.980 10.659 3.658 1.00 1.11 H new ATOM 0 HA2 GLY A 34 6.468 9.689 5.033 1.00 12.45 H new ATOM 0 HA3 GLY A 34 6.651 11.211 5.882 1.00 12.45 H new ATOM 534 N GLN A 35 4.081 9.244 6.453 1.00 11.52 N ATOM 535 CA GLN A 35 3.264 8.670 7.507 1.00 44.13 C ATOM 536 C GLN A 35 3.690 7.232 7.798 1.00 75.32 C ATOM 537 O GLN A 35 3.482 6.719 8.892 1.00 71.51 O ATOM 538 CB GLN A 35 1.787 8.707 7.105 1.00 42.00 C ATOM 539 CG GLN A 35 1.229 10.102 6.861 1.00 40.13 C ATOM 540 CD GLN A 35 1.215 10.957 8.118 1.00 34.01 C ATOM 541 OE1 GLN A 35 0.251 10.949 8.873 1.00 60.41 O ATOM 542 NE2 GLN A 35 2.262 11.712 8.340 1.00 74.34 N ATOM 0 H GLN A 35 3.729 9.080 5.510 1.00 11.52 H new ATOM 0 HA GLN A 35 3.404 9.262 8.412 1.00 44.13 H new ATOM 0 HB2 GLN A 35 1.656 8.115 6.199 1.00 42.00 H new ATOM 0 HB3 GLN A 35 1.199 8.227 7.888 1.00 42.00 H new ATOM 0 HG2 GLN A 35 1.825 10.599 6.096 1.00 40.13 H new ATOM 0 HG3 GLN A 35 0.214 10.020 6.471 1.00 40.13 H new ATOM 0 HE21 GLN A 35 3.049 11.696 7.692 1.00 74.34 H new ATOM 0 HE22 GLN A 35 2.290 12.316 9.161 1.00 74.34 H new ATOM 551 N THR A 36 4.299 6.593 6.826 1.00 74.20 N ATOM 552 CA THR A 36 4.700 5.219 6.980 1.00 42.42 C ATOM 553 C THR A 36 6.192 5.147 7.290 1.00 73.53 C ATOM 554 O THR A 36 7.018 5.784 6.622 1.00 21.11 O ATOM 555 CB THR A 36 4.328 4.349 5.724 1.00 13.32 C ATOM 556 OG1 THR A 36 4.768 2.991 5.888 1.00 52.14 O ATOM 557 CG2 THR A 36 4.912 4.926 4.433 1.00 53.53 C ATOM 0 H THR A 36 4.526 7.005 5.921 1.00 74.20 H new ATOM 0 HA THR A 36 4.147 4.796 7.819 1.00 42.42 H new ATOM 0 HB THR A 36 3.241 4.366 5.643 1.00 13.32 H new ATOM 0 HG1 THR A 36 4.006 2.429 6.141 1.00 52.14 H new ATOM 0 HG21 THR A 36 4.630 4.293 3.591 1.00 53.53 H new ATOM 0 HG22 THR A 36 4.524 5.932 4.276 1.00 53.53 H new ATOM 0 HG23 THR A 36 5.999 4.964 4.510 1.00 53.53 H new ATOM 565 N PHE A 37 6.522 4.413 8.324 1.00 72.14 N ATOM 566 CA PHE A 37 7.878 4.294 8.751 1.00 14.43 C ATOM 567 C PHE A 37 8.414 2.911 8.477 1.00 31.35 C ATOM 568 O PHE A 37 7.835 1.900 8.882 1.00 21.12 O ATOM 569 CB PHE A 37 8.029 4.674 10.228 1.00 71.14 C ATOM 570 CG PHE A 37 7.652 6.106 10.510 1.00 1.02 C ATOM 571 CD1 PHE A 37 8.543 7.133 10.241 1.00 45.41 C ATOM 572 CD2 PHE A 37 6.409 6.426 11.037 1.00 60.31 C ATOM 573 CE1 PHE A 37 8.203 8.449 10.487 1.00 32.53 C ATOM 574 CE2 PHE A 37 6.064 7.739 11.286 1.00 23.22 C ATOM 575 CZ PHE A 37 6.962 8.752 11.011 1.00 2.24 C ATOM 0 H PHE A 37 5.854 3.886 8.886 1.00 72.14 H new ATOM 0 HA PHE A 37 8.475 4.998 8.171 1.00 14.43 H new ATOM 0 HB2 PHE A 37 7.406 4.015 10.832 1.00 71.14 H new ATOM 0 HB3 PHE A 37 9.061 4.509 10.536 1.00 71.14 H new ATOM 0 HD1 PHE A 37 9.516 6.901 9.834 1.00 45.41 H new ATOM 0 HD2 PHE A 37 5.703 5.638 11.255 1.00 60.31 H new ATOM 0 HE1 PHE A 37 8.906 9.239 10.270 1.00 32.53 H new ATOM 0 HE2 PHE A 37 5.093 7.974 11.696 1.00 23.22 H new ATOM 0 HZ PHE A 37 6.694 9.780 11.206 1.00 2.24 H new ATOM 585 N ASP A 38 9.483 2.890 7.743 1.00 51.30 N ATOM 586 CA ASP A 38 10.195 1.675 7.377 1.00 11.13 C ATOM 587 C ASP A 38 11.239 1.346 8.465 1.00 63.11 C ATOM 588 O ASP A 38 11.424 2.125 9.393 1.00 60.31 O ATOM 589 CB ASP A 38 10.858 1.895 5.993 1.00 32.24 C ATOM 590 CG ASP A 38 11.680 0.736 5.518 1.00 21.30 C ATOM 591 OD1 ASP A 38 11.125 -0.185 4.963 1.00 50.44 O ATOM 592 OD2 ASP A 38 12.901 0.726 5.759 1.00 63.03 O ATOM 0 H ASP A 38 9.908 3.736 7.364 1.00 51.30 H new ATOM 0 HA ASP A 38 9.513 0.828 7.306 1.00 11.13 H new ATOM 0 HB2 ASP A 38 10.080 2.100 5.258 1.00 32.24 H new ATOM 0 HB3 ASP A 38 11.492 2.780 6.042 1.00 32.24 H new ATOM 597 N TYR A 39 11.929 0.230 8.330 1.00 21.13 N ATOM 598 CA TYR A 39 12.951 -0.188 9.276 1.00 43.55 C ATOM 599 C TYR A 39 14.190 0.728 9.252 1.00 51.24 C ATOM 600 O TYR A 39 14.889 0.831 10.240 1.00 32.40 O ATOM 601 CB TYR A 39 13.297 -1.682 9.118 1.00 73.43 C ATOM 602 CG TYR A 39 13.567 -2.123 7.689 1.00 2.44 C ATOM 603 CD1 TYR A 39 12.523 -2.529 6.864 1.00 23.30 C ATOM 604 CD2 TYR A 39 14.851 -2.132 7.166 1.00 11.11 C ATOM 605 CE1 TYR A 39 12.750 -2.926 5.566 1.00 75.34 C ATOM 606 CE2 TYR A 39 15.082 -2.531 5.864 1.00 42.02 C ATOM 607 CZ TYR A 39 14.022 -2.925 5.069 1.00 63.32 C ATOM 608 OH TYR A 39 14.254 -3.330 3.773 1.00 74.23 O ATOM 0 H TYR A 39 11.796 -0.419 7.555 1.00 21.13 H new ATOM 0 HA TYR A 39 12.528 -0.075 10.274 1.00 43.55 H new ATOM 0 HB2 TYR A 39 14.175 -1.904 9.724 1.00 73.43 H new ATOM 0 HB3 TYR A 39 12.475 -2.276 9.518 1.00 73.43 H new ATOM 0 HD1 TYR A 39 11.514 -2.533 7.250 1.00 23.30 H new ATOM 0 HD2 TYR A 39 15.681 -1.823 7.784 1.00 11.11 H new ATOM 0 HE1 TYR A 39 11.925 -3.237 4.942 1.00 75.34 H new ATOM 0 HE2 TYR A 39 16.087 -2.535 5.469 1.00 42.02 H new ATOM 0 HH TYR A 39 13.872 -2.675 3.152 1.00 74.23 H new ATOM 618 N LYS A 40 14.475 1.376 8.120 1.00 31.41 N ATOM 619 CA LYS A 40 15.497 2.445 8.154 1.00 11.11 C ATOM 620 C LYS A 40 14.756 3.760 7.916 1.00 14.43 C ATOM 621 O LYS A 40 15.313 4.832 7.801 1.00 71.13 O ATOM 622 CB LYS A 40 16.673 2.231 7.140 1.00 51.41 C ATOM 623 CG LYS A 40 16.492 2.766 5.703 1.00 30.34 C ATOM 624 CD LYS A 40 15.454 2.040 4.869 1.00 30.20 C ATOM 625 CE LYS A 40 15.794 0.580 4.652 1.00 12.32 C ATOM 626 NZ LYS A 40 14.872 -0.046 3.678 1.00 34.12 N ATOM 0 H LYS A 40 14.045 1.200 7.212 1.00 31.41 H new ATOM 0 HA LYS A 40 15.996 2.443 9.123 1.00 11.11 H new ATOM 0 HB2 LYS A 40 17.566 2.695 7.560 1.00 51.41 H new ATOM 0 HB3 LYS A 40 16.870 1.161 7.076 1.00 51.41 H new ATOM 0 HG2 LYS A 40 16.219 3.820 5.757 1.00 30.34 H new ATOM 0 HG3 LYS A 40 17.451 2.711 5.188 1.00 30.34 H new ATOM 0 HD2 LYS A 40 14.484 2.114 5.360 1.00 30.20 H new ATOM 0 HD3 LYS A 40 15.360 2.534 3.902 1.00 30.20 H new ATOM 0 HE2 LYS A 40 16.820 0.492 4.294 1.00 12.32 H new ATOM 0 HE3 LYS A 40 15.741 0.047 5.601 1.00 12.32 H new ATOM 0 HZ1 LYS A 40 14.790 -1.063 3.881 1.00 34.12 H new ATOM 0 HZ2 LYS A 40 13.935 0.398 3.752 1.00 34.12 H new ATOM 0 HZ3 LYS A 40 15.242 0.086 2.715 1.00 34.12 H new ATOM 640 N SER A 41 13.462 3.575 7.887 1.00 55.42 N ATOM 641 CA SER A 41 12.415 4.539 7.660 1.00 23.30 C ATOM 642 C SER A 41 12.496 5.281 6.321 1.00 74.50 C ATOM 643 O SER A 41 11.817 6.284 6.132 1.00 34.54 O ATOM 644 CB SER A 41 12.330 5.492 8.850 1.00 12.12 C ATOM 645 OG SER A 41 11.918 4.792 10.025 1.00 41.51 O ATOM 0 H SER A 41 13.074 2.644 8.038 1.00 55.42 H new ATOM 0 HA SER A 41 11.486 3.975 7.579 1.00 23.30 H new ATOM 0 HB2 SER A 41 13.300 5.959 9.019 1.00 12.12 H new ATOM 0 HB3 SER A 41 11.625 6.294 8.631 1.00 12.12 H new ATOM 0 HG SER A 41 11.743 3.854 9.802 1.00 41.51 H new ATOM 651 N ASN A 42 13.232 4.744 5.356 1.00 52.22 N ATOM 652 CA ASN A 42 13.109 5.246 4.005 1.00 53.24 C ATOM 653 C ASN A 42 12.505 4.199 3.082 1.00 52.32 C ATOM 654 O ASN A 42 13.104 3.145 2.884 1.00 4.44 O ATOM 655 CB ASN A 42 14.456 5.711 3.456 1.00 3.22 C ATOM 656 CG ASN A 42 14.926 7.014 4.065 1.00 33.11 C ATOM 657 OD1 ASN A 42 14.552 8.114 3.456 1.00 53.44 O flip ATOM 658 ND2 ASN A 42 15.624 7.030 5.062 1.00 5.45 N flip ATOM 0 H ASN A 42 13.900 3.984 5.482 1.00 52.22 H new ATOM 0 HA ASN A 42 12.439 6.105 4.043 1.00 53.24 H new ATOM 0 HB2 ASN A 42 15.203 4.939 3.641 1.00 3.22 H new ATOM 0 HB3 ASN A 42 14.380 5.828 2.375 1.00 3.22 H new ATOM 0 HD21 ASN A 42 15.895 6.154 5.509 1.00 5.45 H new ATOM 0 HD22 ASN A 42 15.938 7.919 5.451 1.00 5.45 H new ATOM 665 N PRO A 43 11.310 4.441 2.557 1.00 62.30 N ATOM 666 CA PRO A 43 10.736 3.684 1.430 1.00 64.43 C ATOM 667 C PRO A 43 10.022 4.642 0.426 1.00 43.02 C ATOM 668 O PRO A 43 9.061 4.253 -0.222 1.00 12.02 O ATOM 669 CB PRO A 43 9.634 2.991 2.237 1.00 51.41 C ATOM 670 CG PRO A 43 9.156 4.082 3.217 1.00 55.22 C ATOM 671 CD PRO A 43 10.242 5.168 3.219 1.00 31.30 C ATOM 0 HA PRO A 43 11.438 3.082 0.852 1.00 64.43 H new ATOM 0 HB2 PRO A 43 8.823 2.647 1.594 1.00 51.41 H new ATOM 0 HB3 PRO A 43 10.014 2.117 2.766 1.00 51.41 H new ATOM 0 HG2 PRO A 43 8.196 4.493 2.903 1.00 55.22 H new ATOM 0 HG3 PRO A 43 9.015 3.671 4.217 1.00 55.22 H new ATOM 0 HD2 PRO A 43 9.942 6.062 2.672 1.00 31.30 H new ATOM 0 HD3 PRO A 43 10.514 5.487 4.225 1.00 31.30 H new ATOM 679 N TYR A 44 10.549 5.832 0.263 1.00 64.45 N ATOM 680 CA TYR A 44 9.724 6.956 -0.152 1.00 15.11 C ATOM 681 C TYR A 44 9.642 7.379 -1.611 1.00 42.42 C ATOM 682 O TYR A 44 8.573 7.839 -2.028 1.00 62.02 O ATOM 683 CB TYR A 44 10.078 8.111 0.752 1.00 12.01 C ATOM 684 CG TYR A 44 9.515 9.495 0.426 1.00 71.11 C ATOM 685 CD1 TYR A 44 10.158 10.350 -0.478 1.00 21.43 C ATOM 686 CD2 TYR A 44 8.369 9.948 1.035 1.00 43.32 C ATOM 687 CE1 TYR A 44 9.650 11.605 -0.757 1.00 74.04 C ATOM 688 CE2 TYR A 44 7.861 11.199 0.761 1.00 32.22 C ATOM 689 CZ TYR A 44 8.497 12.022 -0.134 1.00 35.52 C ATOM 690 OH TYR A 44 7.975 13.273 -0.401 1.00 32.14 O ATOM 0 H TYR A 44 11.534 6.052 0.408 1.00 64.45 H new ATOM 0 HA TYR A 44 8.704 6.586 -0.050 1.00 15.11 H new ATOM 0 HB2 TYR A 44 9.757 7.852 1.761 1.00 12.01 H new ATOM 0 HB3 TYR A 44 11.165 8.193 0.775 1.00 12.01 H new ATOM 0 HD1 TYR A 44 11.065 10.024 -0.965 1.00 21.43 H new ATOM 0 HD2 TYR A 44 7.857 9.311 1.742 1.00 43.32 H new ATOM 0 HE1 TYR A 44 10.154 12.253 -1.459 1.00 74.04 H new ATOM 0 HE2 TYR A 44 6.959 11.533 1.252 1.00 32.22 H new ATOM 0 HH TYR A 44 7.158 13.405 0.124 1.00 32.14 H new ATOM 700 N ASP A 45 10.644 7.203 -2.393 1.00 65.05 N ATOM 701 CA ASP A 45 10.620 7.893 -3.705 1.00 25.32 C ATOM 702 C ASP A 45 9.759 7.178 -4.691 1.00 70.42 C ATOM 703 O ASP A 45 10.092 6.088 -5.115 1.00 72.14 O ATOM 704 CB ASP A 45 12.030 8.055 -4.293 1.00 42.13 C ATOM 705 CG ASP A 45 12.008 8.565 -5.742 1.00 43.32 C ATOM 706 OD1 ASP A 45 11.900 9.790 -5.940 1.00 51.32 O ATOM 707 OD2 ASP A 45 12.102 7.721 -6.688 1.00 11.43 O ATOM 0 H ASP A 45 11.464 6.629 -2.198 1.00 65.05 H new ATOM 0 HA ASP A 45 10.200 8.881 -3.518 1.00 25.32 H new ATOM 0 HB2 ASP A 45 12.600 8.749 -3.676 1.00 42.13 H new ATOM 0 HB3 ASP A 45 12.548 7.097 -4.256 1.00 42.13 H new ATOM 712 N ILE A 46 8.620 7.804 -5.036 1.00 54.20 N ATOM 713 CA ILE A 46 7.689 7.240 -5.999 1.00 4.02 C ATOM 714 C ILE A 46 8.392 7.270 -7.341 1.00 25.31 C ATOM 715 O ILE A 46 8.487 8.325 -7.967 1.00 1.11 O ATOM 716 CB ILE A 46 6.388 8.121 -6.158 1.00 14.22 C ATOM 717 CG1 ILE A 46 5.689 8.466 -4.806 1.00 3.23 C ATOM 718 CG2 ILE A 46 5.390 7.450 -7.116 1.00 2.34 C ATOM 719 CD1 ILE A 46 4.884 7.353 -4.145 1.00 31.11 C ATOM 0 H ILE A 46 8.331 8.705 -4.654 1.00 54.20 H new ATOM 0 HA ILE A 46 7.399 6.244 -5.665 1.00 4.02 H new ATOM 0 HB ILE A 46 6.723 9.069 -6.580 1.00 14.22 H new ATOM 0 HG12 ILE A 46 6.454 8.796 -4.103 1.00 3.23 H new ATOM 0 HG13 ILE A 46 5.024 9.313 -4.974 1.00 3.23 H new ATOM 0 HG21 ILE A 46 4.501 8.074 -7.211 1.00 2.34 H new ATOM 0 HG22 ILE A 46 5.853 7.326 -8.095 1.00 2.34 H new ATOM 0 HG23 ILE A 46 5.108 6.474 -6.722 1.00 2.34 H new ATOM 0 HD11 ILE A 46 4.450 7.721 -3.215 1.00 31.11 H new ATOM 0 HD12 ILE A 46 4.087 7.033 -4.816 1.00 31.11 H new ATOM 0 HD13 ILE A 46 5.539 6.508 -3.931 1.00 31.11 H new ATOM 731 N SER A 47 8.843 6.148 -7.789 1.00 71.54 N ATOM 732 CA SER A 47 9.552 6.112 -9.018 1.00 11.22 C ATOM 733 C SER A 47 8.587 5.769 -10.151 1.00 32.11 C ATOM 734 O SER A 47 8.768 6.203 -11.290 1.00 13.22 O ATOM 735 CB SER A 47 10.670 5.076 -8.920 1.00 2.55 C ATOM 736 OG SER A 47 11.448 5.253 -7.732 1.00 3.11 O ATOM 0 H SER A 47 8.733 5.247 -7.323 1.00 71.54 H new ATOM 0 HA SER A 47 9.995 7.086 -9.227 1.00 11.22 H new ATOM 0 HB2 SER A 47 10.241 4.074 -8.929 1.00 2.55 H new ATOM 0 HB3 SER A 47 11.316 5.153 -9.794 1.00 2.55 H new ATOM 0 HG SER A 47 11.556 6.210 -7.551 1.00 3.11 H new ATOM 742 N VAL A 48 7.531 5.000 -9.838 1.00 3.40 N ATOM 743 CA VAL A 48 6.517 4.695 -10.835 1.00 51.32 C ATOM 744 C VAL A 48 5.128 4.714 -10.187 1.00 11.04 C ATOM 745 O VAL A 48 4.917 4.121 -9.126 1.00 22.24 O ATOM 746 CB VAL A 48 6.725 3.273 -11.488 1.00 42.35 C ATOM 747 CG1 VAL A 48 5.719 3.030 -12.602 1.00 70.51 C ATOM 748 CG2 VAL A 48 8.144 3.068 -12.015 1.00 4.44 C ATOM 0 H VAL A 48 7.367 4.590 -8.919 1.00 3.40 H new ATOM 0 HA VAL A 48 6.603 5.454 -11.612 1.00 51.32 H new ATOM 0 HB VAL A 48 6.563 2.546 -10.692 1.00 42.35 H new ATOM 0 HG11 VAL A 48 5.886 2.043 -13.034 1.00 70.51 H new ATOM 0 HG12 VAL A 48 4.708 3.083 -12.197 1.00 70.51 H new ATOM 0 HG13 VAL A 48 5.841 3.789 -13.374 1.00 70.51 H new ATOM 0 HG21 VAL A 48 8.229 2.073 -12.453 1.00 4.44 H new ATOM 0 HG22 VAL A 48 8.362 3.819 -12.774 1.00 4.44 H new ATOM 0 HG23 VAL A 48 8.855 3.165 -11.194 1.00 4.44 H new ATOM 758 N ASN A 49 4.220 5.418 -10.803 1.00 21.02 N ATOM 759 CA ASN A 49 2.804 5.397 -10.451 1.00 43.52 C ATOM 760 C ASN A 49 2.020 4.894 -11.640 1.00 0.41 C ATOM 761 O ASN A 49 2.285 5.324 -12.763 1.00 14.44 O ATOM 762 CB ASN A 49 2.306 6.791 -9.997 1.00 64.35 C ATOM 763 CG ASN A 49 0.784 6.884 -9.856 1.00 55.24 C ATOM 764 OD1 ASN A 49 0.073 7.206 -10.802 1.00 62.25 O ATOM 765 ND2 ASN A 49 0.279 6.626 -8.684 1.00 11.31 N ATOM 0 H ASN A 49 4.435 6.040 -11.582 1.00 21.02 H new ATOM 0 HA ASN A 49 2.655 4.727 -9.604 1.00 43.52 H new ATOM 0 HB2 ASN A 49 2.767 7.038 -9.040 1.00 64.35 H new ATOM 0 HB3 ASN A 49 2.642 7.539 -10.715 1.00 64.35 H new ATOM 0 HD21 ASN A 49 -0.728 6.690 -8.537 1.00 11.31 H new ATOM 0 HD22 ASN A 49 0.891 6.360 -7.912 1.00 11.31 H new ATOM 772 N LYS A 50 1.115 3.973 -11.443 1.00 35.14 N ATOM 773 CA LYS A 50 0.280 3.549 -12.543 1.00 70.25 C ATOM 774 C LYS A 50 -1.159 3.550 -12.117 1.00 33.41 C ATOM 775 O LYS A 50 -1.477 3.197 -10.974 1.00 75.24 O ATOM 776 CB LYS A 50 0.614 2.116 -12.919 1.00 51.22 C ATOM 777 CG LYS A 50 2.044 1.850 -13.315 1.00 34.25 C ATOM 778 CD LYS A 50 2.275 0.368 -13.297 1.00 43.33 C ATOM 779 CE LYS A 50 3.689 -0.015 -13.642 1.00 71.31 C ATOM 780 NZ LYS A 50 3.902 -1.474 -13.468 1.00 22.32 N ATOM 0 H LYS A 50 0.936 3.508 -10.553 1.00 35.14 H new ATOM 0 HA LYS A 50 0.448 4.229 -13.378 1.00 70.25 H new ATOM 0 HB2 LYS A 50 0.367 1.473 -12.074 1.00 51.22 H new ATOM 0 HB3 LYS A 50 -0.032 1.819 -13.745 1.00 51.22 H new ATOM 0 HG2 LYS A 50 2.243 2.252 -14.308 1.00 34.25 H new ATOM 0 HG3 LYS A 50 2.727 2.348 -12.627 1.00 34.25 H new ATOM 0 HD2 LYS A 50 2.031 -0.019 -12.308 1.00 43.33 H new ATOM 0 HD3 LYS A 50 1.594 -0.108 -14.002 1.00 43.33 H new ATOM 0 HE2 LYS A 50 3.905 0.267 -14.672 1.00 71.31 H new ATOM 0 HE3 LYS A 50 4.384 0.536 -13.008 1.00 71.31 H new ATOM 0 HZ1 LYS A 50 4.393 -1.648 -12.568 1.00 22.32 H new ATOM 0 HZ2 LYS A 50 2.983 -1.961 -13.461 1.00 22.32 H new ATOM 0 HZ3 LYS A 50 4.480 -1.837 -14.253 1.00 22.32 H new ATOM 794 N ASN A 51 -2.015 3.947 -13.007 1.00 71.24 N ATOM 795 CA ASN A 51 -3.431 3.790 -12.847 1.00 3.45 C ATOM 796 C ASN A 51 -3.892 2.768 -13.863 1.00 61.14 C ATOM 797 O ASN A 51 -3.619 2.919 -15.043 1.00 53.41 O ATOM 798 CB ASN A 51 -4.198 5.139 -12.941 1.00 33.33 C ATOM 799 CG ASN A 51 -4.057 5.868 -14.270 1.00 1.30 C ATOM 800 OD1 ASN A 51 -4.856 5.696 -15.173 1.00 40.31 O ATOM 801 ND2 ASN A 51 -3.047 6.705 -14.385 1.00 30.34 N ATOM 0 H ASN A 51 -1.746 4.398 -13.882 1.00 71.24 H new ATOM 0 HA ASN A 51 -3.657 3.431 -11.843 1.00 3.45 H new ATOM 0 HB2 ASN A 51 -5.256 4.952 -12.757 1.00 33.33 H new ATOM 0 HB3 ASN A 51 -3.847 5.795 -12.145 1.00 33.33 H new ATOM 0 HD21 ASN A 51 -2.917 7.232 -15.249 1.00 30.34 H new ATOM 0 HD22 ASN A 51 -2.395 6.827 -13.610 1.00 30.34 H new ATOM 808 N ASN A 52 -4.529 1.726 -13.423 1.00 63.53 N ATOM 809 CA ASN A 52 -4.962 0.668 -14.338 1.00 15.34 C ATOM 810 C ASN A 52 -6.481 0.634 -14.401 1.00 60.44 C ATOM 811 O ASN A 52 -7.091 -0.312 -14.902 1.00 2.25 O ATOM 812 CB ASN A 52 -4.408 -0.703 -13.896 1.00 3.21 C ATOM 813 CG ASN A 52 -2.874 -0.770 -13.847 1.00 71.22 C ATOM 814 OD1 ASN A 52 -2.170 -0.095 -14.600 1.00 23.22 O ATOM 815 ND2 ASN A 52 -2.353 -1.578 -12.961 1.00 13.41 N ATOM 0 H ASN A 52 -4.768 1.569 -12.444 1.00 63.53 H new ATOM 0 HA ASN A 52 -4.569 0.883 -15.332 1.00 15.34 H new ATOM 0 HB2 ASN A 52 -4.804 -0.942 -12.909 1.00 3.21 H new ATOM 0 HB3 ASN A 52 -4.773 -1.469 -14.580 1.00 3.21 H new ATOM 0 HD21 ASN A 52 -1.340 -1.661 -12.880 1.00 13.41 H new ATOM 0 HD22 ASN A 52 -2.960 -2.125 -12.350 1.00 13.41 H new ATOM 822 N GLY A 53 -7.092 1.666 -13.859 1.00 33.24 N ATOM 823 CA GLY A 53 -8.529 1.813 -13.909 1.00 30.22 C ATOM 824 C GLY A 53 -9.225 1.129 -12.758 1.00 22.05 C ATOM 825 O GLY A 53 -9.876 1.772 -11.947 1.00 31.30 O ATOM 0 H GLY A 53 -6.609 2.422 -13.374 1.00 33.24 H new ATOM 0 HA2 GLY A 53 -8.782 2.873 -13.903 1.00 30.22 H new ATOM 0 HA3 GLY A 53 -8.900 1.402 -14.848 1.00 30.22 H new ATOM 829 N THR A 54 -9.072 -0.162 -12.680 1.00 3.11 N ATOM 830 CA THR A 54 -9.702 -0.937 -11.643 1.00 12.21 C ATOM 831 C THR A 54 -8.644 -1.387 -10.636 1.00 4.20 C ATOM 832 O THR A 54 -8.891 -2.246 -9.779 1.00 72.34 O ATOM 833 CB THR A 54 -10.486 -2.154 -12.246 1.00 13.43 C ATOM 834 OG1 THR A 54 -11.250 -2.831 -11.225 1.00 71.44 O ATOM 835 CG2 THR A 54 -9.542 -3.147 -12.926 1.00 75.53 C ATOM 0 H THR A 54 -8.508 -0.709 -13.331 1.00 3.11 H new ATOM 0 HA THR A 54 -10.434 -0.318 -11.125 1.00 12.21 H new ATOM 0 HB THR A 54 -11.169 -1.757 -12.997 1.00 13.43 H new ATOM 0 HG1 THR A 54 -11.732 -3.585 -11.623 1.00 71.44 H new ATOM 0 HG21 THR A 54 -10.119 -3.978 -13.333 1.00 75.53 H new ATOM 0 HG22 THR A 54 -9.008 -2.647 -13.734 1.00 75.53 H new ATOM 0 HG23 THR A 54 -8.825 -3.525 -12.197 1.00 75.53 H new ATOM 843 N ASP A 55 -7.475 -0.808 -10.760 1.00 55.34 N ATOM 844 CA ASP A 55 -6.371 -1.030 -9.866 1.00 33.20 C ATOM 845 C ASP A 55 -5.319 0.008 -10.092 1.00 32.44 C ATOM 846 O ASP A 55 -5.384 0.750 -11.072 1.00 64.30 O ATOM 847 CB ASP A 55 -5.800 -2.464 -9.902 1.00 14.14 C ATOM 848 CG ASP A 55 -5.272 -2.941 -11.209 1.00 24.34 C ATOM 849 OD1 ASP A 55 -6.061 -3.529 -11.974 1.00 42.21 O ATOM 850 OD2 ASP A 55 -4.073 -2.890 -11.421 1.00 71.03 O ATOM 0 H ASP A 55 -7.262 -0.150 -11.509 1.00 55.34 H new ATOM 0 HA ASP A 55 -6.760 -0.928 -8.853 1.00 33.20 H new ATOM 0 HB2 ASP A 55 -4.998 -2.529 -9.167 1.00 14.14 H new ATOM 0 HB3 ASP A 55 -6.584 -3.150 -9.581 1.00 14.14 H new ATOM 855 N ALA A 56 -4.414 0.129 -9.168 1.00 31.14 N ATOM 856 CA ALA A 56 -3.343 1.084 -9.257 1.00 31.54 C ATOM 857 C ALA A 56 -2.103 0.508 -8.607 1.00 54.34 C ATOM 858 O ALA A 56 -2.188 -0.188 -7.581 1.00 14.53 O ATOM 859 CB ALA A 56 -3.739 2.401 -8.598 1.00 63.44 C ATOM 0 H ALA A 56 -4.395 -0.438 -8.320 1.00 31.14 H new ATOM 0 HA ALA A 56 -3.132 1.290 -10.306 1.00 31.54 H new ATOM 0 HB1 ALA A 56 -2.914 3.110 -8.677 1.00 63.44 H new ATOM 0 HB2 ALA A 56 -4.617 2.809 -9.099 1.00 63.44 H new ATOM 0 HB3 ALA A 56 -3.969 2.227 -7.547 1.00 63.44 H new ATOM 865 N GLU A 57 -0.974 0.805 -9.176 1.00 61.10 N ATOM 866 CA GLU A 57 0.283 0.274 -8.711 1.00 10.54 C ATOM 867 C GLU A 57 1.165 1.440 -8.304 1.00 63.21 C ATOM 868 O GLU A 57 1.294 2.420 -9.064 1.00 63.35 O ATOM 869 CB GLU A 57 0.958 -0.481 -9.850 1.00 3.00 C ATOM 870 CG GLU A 57 2.128 -1.357 -9.444 1.00 71.52 C ATOM 871 CD GLU A 57 2.881 -1.841 -10.653 1.00 74.44 C ATOM 872 OE1 GLU A 57 2.318 -2.567 -11.491 1.00 0.10 O ATOM 873 OE2 GLU A 57 4.039 -1.436 -10.849 1.00 2.52 O ATOM 0 H GLU A 57 -0.893 1.426 -9.981 1.00 61.10 H new ATOM 0 HA GLU A 57 0.123 -0.400 -7.869 1.00 10.54 H new ATOM 0 HB2 GLU A 57 0.212 -1.105 -10.343 1.00 3.00 H new ATOM 0 HB3 GLU A 57 1.306 0.242 -10.587 1.00 3.00 H new ATOM 0 HG2 GLU A 57 2.799 -0.796 -8.793 1.00 71.52 H new ATOM 0 HG3 GLU A 57 1.767 -2.210 -8.870 1.00 71.52 H new ATOM 880 N ILE A 58 1.727 1.381 -7.124 1.00 52.41 N ATOM 881 CA ILE A 58 2.621 2.427 -6.677 1.00 64.13 C ATOM 882 C ILE A 58 3.964 1.788 -6.397 1.00 52.02 C ATOM 883 O ILE A 58 4.038 0.844 -5.605 1.00 2.33 O ATOM 884 CB ILE A 58 2.147 3.092 -5.350 1.00 1.44 C ATOM 885 CG1 ILE A 58 0.631 3.383 -5.339 1.00 61.23 C ATOM 886 CG2 ILE A 58 2.929 4.383 -5.119 1.00 23.31 C ATOM 887 CD1 ILE A 58 0.148 4.369 -6.379 1.00 42.52 C ATOM 0 H ILE A 58 1.585 0.624 -6.455 1.00 52.41 H new ATOM 0 HA ILE A 58 2.658 3.192 -7.452 1.00 64.13 H new ATOM 0 HB ILE A 58 2.340 2.385 -4.543 1.00 1.44 H new ATOM 0 HG12 ILE A 58 0.098 2.443 -5.480 1.00 61.23 H new ATOM 0 HG13 ILE A 58 0.358 3.759 -4.353 1.00 61.23 H new ATOM 0 HG21 ILE A 58 2.597 4.848 -4.191 1.00 23.31 H new ATOM 0 HG22 ILE A 58 3.993 4.157 -5.052 1.00 23.31 H new ATOM 0 HG23 ILE A 58 2.756 5.067 -5.950 1.00 23.31 H new ATOM 0 HD11 ILE A 58 -0.930 4.500 -6.283 1.00 42.52 H new ATOM 0 HD12 ILE A 58 0.645 5.328 -6.230 1.00 42.52 H new ATOM 0 HD13 ILE A 58 0.380 3.991 -7.375 1.00 42.52 H new ATOM 899 N VAL A 59 5.005 2.279 -7.023 1.00 3.01 N ATOM 900 CA VAL A 59 6.331 1.750 -6.802 1.00 1.21 C ATOM 901 C VAL A 59 7.252 2.870 -6.368 1.00 40.24 C ATOM 902 O VAL A 59 7.510 3.801 -7.141 1.00 53.14 O ATOM 903 CB VAL A 59 6.931 1.110 -8.092 1.00 51.11 C ATOM 904 CG1 VAL A 59 8.283 0.462 -7.807 1.00 64.55 C ATOM 905 CG2 VAL A 59 5.979 0.106 -8.717 1.00 65.53 C ATOM 0 H VAL A 59 4.961 3.047 -7.692 1.00 3.01 H new ATOM 0 HA VAL A 59 6.248 0.980 -6.035 1.00 1.21 H new ATOM 0 HB VAL A 59 7.081 1.916 -8.810 1.00 51.11 H new ATOM 0 HG11 VAL A 59 8.677 0.024 -8.724 1.00 64.55 H new ATOM 0 HG12 VAL A 59 8.977 1.217 -7.437 1.00 64.55 H new ATOM 0 HG13 VAL A 59 8.161 -0.318 -7.056 1.00 64.55 H new ATOM 0 HG21 VAL A 59 6.433 -0.317 -9.613 1.00 65.53 H new ATOM 0 HG22 VAL A 59 5.772 -0.692 -8.004 1.00 65.53 H new ATOM 0 HG23 VAL A 59 5.048 0.605 -8.984 1.00 65.53 H new ATOM 915 N SER A 60 7.718 2.796 -5.164 1.00 63.13 N ATOM 916 CA SER A 60 8.678 3.719 -4.663 1.00 11.51 C ATOM 917 C SER A 60 9.938 2.960 -4.339 1.00 4.42 C ATOM 918 O SER A 60 9.891 1.755 -4.156 1.00 74.13 O ATOM 919 CB SER A 60 8.157 4.452 -3.415 1.00 72.31 C ATOM 920 OG SER A 60 6.815 4.839 -3.602 1.00 31.21 O ATOM 0 H SER A 60 7.437 2.081 -4.493 1.00 63.13 H new ATOM 0 HA SER A 60 8.877 4.478 -5.420 1.00 11.51 H new ATOM 0 HB2 SER A 60 8.238 3.803 -2.543 1.00 72.31 H new ATOM 0 HB3 SER A 60 8.772 5.330 -3.217 1.00 72.31 H new ATOM 0 HG SER A 60 6.224 4.200 -3.151 1.00 31.21 H new ATOM 926 N ALA A 61 11.040 3.624 -4.300 1.00 23.12 N ATOM 927 CA ALA A 61 12.280 2.992 -3.957 1.00 71.24 C ATOM 928 C ALA A 61 12.679 3.402 -2.564 1.00 35.23 C ATOM 929 O ALA A 61 12.351 4.511 -2.121 1.00 13.11 O ATOM 930 CB ALA A 61 13.364 3.368 -4.956 1.00 54.54 C ATOM 0 H ALA A 61 11.115 4.621 -4.504 1.00 23.12 H new ATOM 0 HA ALA A 61 12.153 1.910 -3.990 1.00 71.24 H new ATOM 0 HB1 ALA A 61 14.298 2.879 -4.680 1.00 54.54 H new ATOM 0 HB2 ALA A 61 13.067 3.046 -5.954 1.00 54.54 H new ATOM 0 HB3 ALA A 61 13.505 4.449 -4.951 1.00 54.54 H new ATOM 936 N SER A 62 13.317 2.510 -1.848 1.00 12.14 N ATOM 937 CA SER A 62 13.824 2.837 -0.562 1.00 43.23 C ATOM 938 C SER A 62 15.091 3.652 -0.749 1.00 54.40 C ATOM 939 O SER A 62 16.072 3.189 -1.334 1.00 11.33 O ATOM 940 CB SER A 62 14.041 1.580 0.263 1.00 75.15 C ATOM 941 OG SER A 62 12.804 0.878 0.420 1.00 32.23 O ATOM 0 H SER A 62 13.492 1.550 -2.146 1.00 12.14 H new ATOM 0 HA SER A 62 13.108 3.438 -0.002 1.00 43.23 H new ATOM 0 HB2 SER A 62 14.774 0.937 -0.224 1.00 75.15 H new ATOM 0 HB3 SER A 62 14.447 1.842 1.240 1.00 75.15 H new ATOM 0 HG SER A 62 12.734 0.540 1.337 1.00 32.23 H new ATOM 947 N ASP A 63 15.020 4.871 -0.277 1.00 43.35 N ATOM 948 CA ASP A 63 16.020 5.930 -0.466 1.00 31.41 C ATOM 949 C ASP A 63 17.428 5.507 -0.040 1.00 50.23 C ATOM 950 O ASP A 63 18.415 5.984 -0.585 1.00 31.11 O ATOM 951 CB ASP A 63 15.607 7.154 0.364 1.00 14.53 C ATOM 952 CG ASP A 63 14.127 7.523 0.234 1.00 12.45 C ATOM 953 OD1 ASP A 63 13.252 6.707 0.690 1.00 3.32 O ATOM 954 OD2 ASP A 63 13.826 8.609 -0.225 1.00 24.41 O ATOM 0 H ASP A 63 14.226 5.184 0.282 1.00 43.35 H new ATOM 0 HA ASP A 63 16.054 6.155 -1.532 1.00 31.41 H new ATOM 0 HB2 ASP A 63 15.832 6.962 1.413 1.00 14.53 H new ATOM 0 HB3 ASP A 63 16.212 8.008 0.059 1.00 14.53 H new ATOM 959 N SER A 64 17.519 4.627 0.925 1.00 15.41 N ATOM 960 CA SER A 64 18.807 4.197 1.412 1.00 43.41 C ATOM 961 C SER A 64 19.295 2.943 0.673 1.00 23.24 C ATOM 962 O SER A 64 20.460 2.841 0.289 1.00 60.25 O ATOM 963 CB SER A 64 18.699 3.914 2.898 1.00 20.11 C ATOM 964 OG SER A 64 18.098 5.010 3.564 1.00 60.43 O ATOM 0 H SER A 64 16.720 4.195 1.388 1.00 15.41 H new ATOM 0 HA SER A 64 19.533 4.990 1.231 1.00 43.41 H new ATOM 0 HB2 SER A 64 18.109 3.012 3.062 1.00 20.11 H new ATOM 0 HB3 SER A 64 19.690 3.726 3.312 1.00 20.11 H new ATOM 0 HG SER A 64 18.032 4.815 4.522 1.00 60.43 H new ATOM 970 N ASP A 65 18.402 2.015 0.463 1.00 52.30 N ATOM 971 CA ASP A 65 18.725 0.753 -0.146 1.00 72.44 C ATOM 972 C ASP A 65 17.854 0.502 -1.363 1.00 63.35 C ATOM 973 O ASP A 65 16.737 0.040 -1.269 1.00 13.32 O ATOM 974 CB ASP A 65 18.648 -0.415 0.883 1.00 24.21 C ATOM 975 CG ASP A 65 17.295 -0.563 1.586 1.00 74.34 C ATOM 976 OD1 ASP A 65 16.563 0.454 1.740 1.00 70.04 O ATOM 977 OD2 ASP A 65 16.970 -1.681 2.052 1.00 3.24 O ATOM 0 H ASP A 65 17.418 2.115 0.713 1.00 52.30 H new ATOM 0 HA ASP A 65 19.759 0.798 -0.489 1.00 72.44 H new ATOM 0 HB2 ASP A 65 18.879 -1.349 0.370 1.00 24.21 H new ATOM 0 HB3 ASP A 65 19.420 -0.267 1.638 1.00 24.21 H new ATOM 982 N SER A 66 18.401 0.833 -2.515 1.00 5.32 N ATOM 983 CA SER A 66 17.733 0.707 -3.818 1.00 72.30 C ATOM 984 C SER A 66 17.213 -0.729 -4.121 1.00 15.42 C ATOM 985 O SER A 66 16.370 -0.913 -5.003 1.00 22.23 O ATOM 986 CB SER A 66 18.675 1.198 -4.931 1.00 60.25 C ATOM 987 OG SER A 66 18.060 1.157 -6.206 1.00 45.45 O ATOM 0 H SER A 66 19.347 1.208 -2.585 1.00 5.32 H new ATOM 0 HA SER A 66 16.843 1.335 -3.780 1.00 72.30 H new ATOM 0 HB2 SER A 66 18.991 2.218 -4.714 1.00 60.25 H new ATOM 0 HB3 SER A 66 19.574 0.582 -4.943 1.00 60.25 H new ATOM 0 HG SER A 66 18.691 1.478 -6.884 1.00 45.45 H new ATOM 993 N THR A 67 17.721 -1.727 -3.408 1.00 53.12 N ATOM 994 CA THR A 67 17.290 -3.101 -3.605 1.00 62.12 C ATOM 995 C THR A 67 15.921 -3.319 -2.926 1.00 71.34 C ATOM 996 O THR A 67 15.193 -4.306 -3.203 1.00 73.13 O ATOM 997 CB THR A 67 18.361 -4.111 -3.071 1.00 23.05 C ATOM 998 OG1 THR A 67 17.954 -5.463 -3.300 1.00 21.55 O ATOM 999 CG2 THR A 67 18.642 -3.905 -1.585 1.00 1.02 C ATOM 0 H THR A 67 18.433 -1.608 -2.687 1.00 53.12 H new ATOM 0 HA THR A 67 17.181 -3.287 -4.674 1.00 62.12 H new ATOM 0 HB THR A 67 19.280 -3.917 -3.625 1.00 23.05 H new ATOM 0 HG1 THR A 67 18.641 -6.074 -2.959 1.00 21.55 H new ATOM 0 HG21 THR A 67 19.390 -4.625 -1.253 1.00 1.02 H new ATOM 0 HG22 THR A 67 19.014 -2.894 -1.422 1.00 1.02 H new ATOM 0 HG23 THR A 67 17.723 -4.049 -1.017 1.00 1.02 H new ATOM 1007 N ASP A 68 15.561 -2.392 -2.081 1.00 2.24 N ATOM 1008 CA ASP A 68 14.307 -2.404 -1.413 1.00 34.11 C ATOM 1009 C ASP A 68 13.464 -1.314 -2.009 1.00 10.40 C ATOM 1010 O ASP A 68 13.966 -0.257 -2.400 1.00 2.52 O ATOM 1011 CB ASP A 68 14.485 -2.217 0.092 1.00 64.22 C ATOM 1012 CG ASP A 68 13.183 -2.193 0.864 1.00 23.14 C ATOM 1013 OD1 ASP A 68 12.164 -2.760 0.396 1.00 62.21 O ATOM 1014 OD2 ASP A 68 13.149 -1.607 1.968 1.00 52.32 O ATOM 0 H ASP A 68 16.150 -1.595 -1.839 1.00 2.24 H new ATOM 0 HA ASP A 68 13.815 -3.367 -1.546 1.00 34.11 H new ATOM 0 HB2 ASP A 68 15.110 -3.023 0.477 1.00 64.22 H new ATOM 0 HB3 ASP A 68 15.020 -1.285 0.272 1.00 64.22 H new ATOM 1019 N SER A 69 12.234 -1.596 -2.173 1.00 32.44 N ATOM 1020 CA SER A 69 11.325 -0.699 -2.770 1.00 3.25 C ATOM 1021 C SER A 69 9.949 -0.889 -2.173 1.00 22.24 C ATOM 1022 O SER A 69 9.535 -2.041 -1.898 1.00 44.03 O ATOM 1023 CB SER A 69 11.348 -0.891 -4.301 1.00 64.02 C ATOM 1024 OG SER A 69 11.886 -2.175 -4.655 1.00 10.45 O ATOM 0 H SER A 69 11.816 -2.482 -1.888 1.00 32.44 H new ATOM 0 HA SER A 69 11.616 0.332 -2.568 1.00 3.25 H new ATOM 0 HB2 SER A 69 10.337 -0.795 -4.697 1.00 64.02 H new ATOM 0 HB3 SER A 69 11.946 -0.104 -4.760 1.00 64.02 H new ATOM 0 HG SER A 69 11.888 -2.271 -5.630 1.00 10.45 H new ATOM 1030 N LEU A 70 9.237 0.189 -1.971 1.00 33.24 N ATOM 1031 CA LEU A 70 7.916 0.108 -1.463 1.00 72.30 C ATOM 1032 C LEU A 70 7.016 0.043 -2.666 1.00 70.44 C ATOM 1033 O LEU A 70 6.906 0.976 -3.419 1.00 12.34 O ATOM 1034 CB LEU A 70 7.644 1.364 -0.578 1.00 64.31 C ATOM 1035 CG LEU A 70 6.252 1.567 0.109 1.00 44.51 C ATOM 1036 CD1 LEU A 70 5.156 1.970 -0.877 1.00 34.12 C ATOM 1037 CD2 LEU A 70 5.836 0.330 0.887 1.00 12.34 C ATOM 0 H LEU A 70 9.565 1.137 -2.156 1.00 33.24 H new ATOM 0 HA LEU A 70 7.746 -0.765 -0.833 1.00 72.30 H new ATOM 0 HB2 LEU A 70 8.396 1.370 0.211 1.00 64.31 H new ATOM 0 HB3 LEU A 70 7.827 2.241 -1.199 1.00 64.31 H new ATOM 0 HG LEU A 70 6.376 2.396 0.806 1.00 44.51 H new ATOM 0 HD11 LEU A 70 4.214 2.096 -0.343 1.00 34.12 H new ATOM 0 HD12 LEU A 70 5.428 2.909 -1.360 1.00 34.12 H new ATOM 0 HD13 LEU A 70 5.043 1.193 -1.633 1.00 34.12 H new ATOM 0 HD21 LEU A 70 4.866 0.502 1.352 1.00 12.34 H new ATOM 0 HD22 LEU A 70 5.767 -0.520 0.209 1.00 12.34 H new ATOM 0 HD23 LEU A 70 6.576 0.120 1.659 1.00 12.34 H new ATOM 1049 N GLN A 71 6.426 -1.077 -2.855 1.00 24.54 N ATOM 1050 CA GLN A 71 5.545 -1.283 -3.949 1.00 53.51 C ATOM 1051 C GLN A 71 4.275 -1.828 -3.427 1.00 20.22 C ATOM 1052 O GLN A 71 4.263 -2.887 -2.785 1.00 21.04 O ATOM 1053 CB GLN A 71 6.159 -2.213 -5.000 1.00 34.54 C ATOM 1054 CG GLN A 71 5.186 -2.632 -6.103 1.00 72.31 C ATOM 1055 CD GLN A 71 5.827 -3.482 -7.187 1.00 23.31 C ATOM 1056 OE1 GLN A 71 7.075 -3.220 -7.503 1.00 31.11 O flip ATOM 1057 NE2 GLN A 71 5.192 -4.341 -7.761 1.00 33.23 N flip ATOM 0 H GLN A 71 6.540 -1.889 -2.249 1.00 24.54 H new ATOM 0 HA GLN A 71 5.360 -0.333 -4.450 1.00 53.51 H new ATOM 0 HB2 GLN A 71 7.016 -1.715 -5.455 1.00 34.54 H new ATOM 0 HB3 GLN A 71 6.536 -3.107 -4.503 1.00 34.54 H new ATOM 0 HG2 GLN A 71 4.361 -3.188 -5.657 1.00 72.31 H new ATOM 0 HG3 GLN A 71 4.759 -1.738 -6.558 1.00 72.31 H new ATOM 0 HE21 GLN A 71 4.224 -4.523 -7.495 1.00 33.23 H new ATOM 0 HE22 GLN A 71 5.626 -4.881 -8.510 1.00 33.23 H new ATOM 1066 N VAL A 72 3.233 -1.101 -3.646 1.00 10.34 N ATOM 1067 CA VAL A 72 1.943 -1.482 -3.203 1.00 12.11 C ATOM 1068 C VAL A 72 1.048 -1.556 -4.406 1.00 2.10 C ATOM 1069 O VAL A 72 0.914 -0.582 -5.158 1.00 11.23 O ATOM 1070 CB VAL A 72 1.357 -0.451 -2.191 1.00 62.12 C ATOM 1071 CG1 VAL A 72 -0.025 -0.871 -1.710 1.00 10.32 C ATOM 1072 CG2 VAL A 72 2.285 -0.269 -1.006 1.00 3.41 C ATOM 0 H VAL A 72 3.258 -0.212 -4.146 1.00 10.34 H new ATOM 0 HA VAL A 72 2.010 -2.444 -2.695 1.00 12.11 H new ATOM 0 HB VAL A 72 1.264 0.501 -2.713 1.00 62.12 H new ATOM 0 HG11 VAL A 72 -0.406 -0.131 -1.006 1.00 10.32 H new ATOM 0 HG12 VAL A 72 -0.701 -0.942 -2.562 1.00 10.32 H new ATOM 0 HG13 VAL A 72 0.041 -1.841 -1.217 1.00 10.32 H new ATOM 0 HG21 VAL A 72 1.854 0.455 -0.314 1.00 3.41 H new ATOM 0 HG22 VAL A 72 2.416 -1.224 -0.497 1.00 3.41 H new ATOM 0 HG23 VAL A 72 3.253 0.093 -1.354 1.00 3.41 H new ATOM 1082 N ALA A 73 0.471 -2.685 -4.600 1.00 11.24 N ATOM 1083 CA ALA A 73 -0.462 -2.878 -5.648 1.00 12.04 C ATOM 1084 C ALA A 73 -1.822 -2.927 -5.035 1.00 25.43 C ATOM 1085 O ALA A 73 -2.087 -3.751 -4.140 1.00 70.45 O ATOM 1086 CB ALA A 73 -0.158 -4.146 -6.428 1.00 40.54 C ATOM 0 H ALA A 73 0.636 -3.513 -4.027 1.00 11.24 H new ATOM 0 HA ALA A 73 -0.403 -2.058 -6.363 1.00 12.04 H new ATOM 0 HB1 ALA A 73 -0.891 -4.267 -7.226 1.00 40.54 H new ATOM 0 HB2 ALA A 73 0.840 -4.077 -6.860 1.00 40.54 H new ATOM 0 HB3 ALA A 73 -0.205 -5.005 -5.759 1.00 40.54 H new ATOM 1092 N MET A 74 -2.661 -2.054 -5.468 1.00 52.13 N ATOM 1093 CA MET A 74 -3.983 -1.949 -4.935 1.00 62.32 C ATOM 1094 C MET A 74 -4.914 -2.294 -6.043 1.00 34.05 C ATOM 1095 O MET A 74 -4.912 -1.633 -7.064 1.00 64.33 O ATOM 1096 CB MET A 74 -4.235 -0.495 -4.519 1.00 32.50 C ATOM 1097 CG MET A 74 -3.237 0.057 -3.516 1.00 64.42 C ATOM 1098 SD MET A 74 -3.397 1.831 -3.259 1.00 2.03 S ATOM 1099 CE MET A 74 -2.825 2.437 -4.838 1.00 63.33 C ATOM 0 H MET A 74 -2.452 -1.384 -6.209 1.00 52.13 H new ATOM 0 HA MET A 74 -4.120 -2.603 -4.074 1.00 62.32 H new ATOM 0 HB2 MET A 74 -4.219 0.132 -5.410 1.00 32.50 H new ATOM 0 HB3 MET A 74 -5.236 -0.421 -4.094 1.00 32.50 H new ATOM 0 HG2 MET A 74 -3.369 -0.455 -2.563 1.00 64.42 H new ATOM 0 HG3 MET A 74 -2.226 -0.164 -3.859 1.00 64.42 H new ATOM 0 HE1 MET A 74 -2.009 3.143 -4.683 1.00 63.33 H new ATOM 0 HE2 MET A 74 -2.472 1.601 -5.442 1.00 63.33 H new ATOM 0 HE3 MET A 74 -3.644 2.938 -5.354 1.00 63.33 H new ATOM 1109 N LYS A 75 -5.703 -3.306 -5.861 1.00 41.10 N ATOM 1110 CA LYS A 75 -6.600 -3.725 -6.883 1.00 4.34 C ATOM 1111 C LYS A 75 -8.004 -3.718 -6.364 1.00 52.42 C ATOM 1112 O LYS A 75 -8.253 -4.153 -5.234 1.00 1.00 O ATOM 1113 CB LYS A 75 -6.179 -5.099 -7.424 1.00 32.13 C ATOM 1114 CG LYS A 75 -7.118 -5.697 -8.466 1.00 5.41 C ATOM 1115 CD LYS A 75 -6.546 -6.965 -9.071 1.00 14.31 C ATOM 1116 CE LYS A 75 -5.361 -6.699 -10.017 1.00 20.13 C ATOM 1117 NZ LYS A 75 -5.759 -5.991 -11.273 1.00 11.23 N ATOM 0 H LYS A 75 -5.741 -3.859 -5.005 1.00 41.10 H new ATOM 0 HA LYS A 75 -6.561 -3.026 -7.719 1.00 4.34 H new ATOM 0 HB2 LYS A 75 -5.184 -5.011 -7.861 1.00 32.13 H new ATOM 0 HB3 LYS A 75 -6.100 -5.793 -6.587 1.00 32.13 H new ATOM 0 HG2 LYS A 75 -8.082 -5.915 -8.006 1.00 5.41 H new ATOM 0 HG3 LYS A 75 -7.300 -4.967 -9.255 1.00 5.41 H new ATOM 0 HD2 LYS A 75 -6.222 -7.629 -8.270 1.00 14.31 H new ATOM 0 HD3 LYS A 75 -7.331 -7.486 -9.619 1.00 14.31 H new ATOM 0 HE2 LYS A 75 -4.613 -6.104 -9.493 1.00 20.13 H new ATOM 0 HE3 LYS A 75 -4.890 -7.648 -10.275 1.00 20.13 H new ATOM 0 HZ1 LYS A 75 -4.919 -5.841 -11.868 1.00 11.23 H new ATOM 0 HZ2 LYS A 75 -6.452 -6.567 -11.792 1.00 11.23 H new ATOM 0 HZ3 LYS A 75 -6.183 -5.072 -11.034 1.00 11.23 H new ATOM 1131 N LYS A 76 -8.913 -3.235 -7.173 1.00 53.31 N ATOM 1132 CA LYS A 76 -10.278 -3.136 -6.781 1.00 54.21 C ATOM 1133 C LYS A 76 -10.939 -4.475 -6.945 1.00 23.24 C ATOM 1134 O LYS A 76 -10.903 -5.083 -8.020 1.00 53.15 O ATOM 1135 CB LYS A 76 -11.047 -2.147 -7.648 1.00 23.30 C ATOM 1136 CG LYS A 76 -12.447 -1.855 -7.129 1.00 0.15 C ATOM 1137 CD LYS A 76 -13.402 -1.487 -8.239 1.00 2.11 C ATOM 1138 CE LYS A 76 -13.797 -2.722 -9.010 1.00 11.42 C ATOM 1139 NZ LYS A 76 -14.795 -2.431 -10.057 1.00 74.23 N ATOM 0 H LYS A 76 -8.719 -2.903 -8.118 1.00 53.31 H new ATOM 0 HA LYS A 76 -10.293 -2.797 -5.745 1.00 54.21 H new ATOM 0 HB2 LYS A 76 -10.487 -1.214 -7.707 1.00 23.30 H new ATOM 0 HB3 LYS A 76 -11.118 -2.541 -8.662 1.00 23.30 H new ATOM 0 HG2 LYS A 76 -12.826 -2.730 -6.601 1.00 0.15 H new ATOM 0 HG3 LYS A 76 -12.402 -1.041 -6.406 1.00 0.15 H new ATOM 0 HD2 LYS A 76 -14.289 -1.009 -7.823 1.00 2.11 H new ATOM 0 HD3 LYS A 76 -12.934 -0.765 -8.908 1.00 2.11 H new ATOM 0 HE2 LYS A 76 -12.911 -3.161 -9.468 1.00 11.42 H new ATOM 0 HE3 LYS A 76 -14.201 -3.464 -8.322 1.00 11.42 H new ATOM 0 HZ1 LYS A 76 -15.036 -3.309 -10.560 1.00 74.23 H new ATOM 0 HZ2 LYS A 76 -15.652 -2.036 -9.620 1.00 74.23 H new ATOM 0 HZ3 LYS A 76 -14.401 -1.743 -10.730 1.00 74.23 H new ATOM 1153 N LEU A 77 -11.529 -4.899 -5.907 1.00 44.12 N ATOM 1154 CA LEU A 77 -12.294 -6.092 -5.879 1.00 24.22 C ATOM 1155 C LEU A 77 -13.703 -5.724 -6.327 1.00 23.40 C ATOM 1156 O LEU A 77 -14.139 -4.600 -6.050 1.00 60.23 O ATOM 1157 CB LEU A 77 -12.290 -6.682 -4.463 1.00 42.33 C ATOM 1158 CG LEU A 77 -10.931 -7.138 -3.925 1.00 44.41 C ATOM 1159 CD1 LEU A 77 -11.077 -7.681 -2.521 1.00 21.35 C ATOM 1160 CD2 LEU A 77 -10.305 -8.188 -4.838 1.00 42.23 C ATOM 0 H LEU A 77 -11.498 -4.413 -5.011 1.00 44.12 H new ATOM 0 HA LEU A 77 -11.878 -6.851 -6.541 1.00 24.22 H new ATOM 0 HB2 LEU A 77 -12.696 -5.936 -3.780 1.00 42.33 H new ATOM 0 HB3 LEU A 77 -12.969 -7.534 -4.445 1.00 42.33 H new ATOM 0 HG LEU A 77 -10.268 -6.273 -3.900 1.00 44.41 H new ATOM 0 HD11 LEU A 77 -10.103 -8.001 -2.152 1.00 21.35 H new ATOM 0 HD12 LEU A 77 -11.474 -6.903 -1.869 1.00 21.35 H new ATOM 0 HD13 LEU A 77 -11.759 -8.531 -2.529 1.00 21.35 H new ATOM 0 HD21 LEU A 77 -9.341 -8.494 -4.433 1.00 42.23 H new ATOM 0 HD22 LEU A 77 -10.964 -9.054 -4.902 1.00 42.23 H new ATOM 0 HD23 LEU A 77 -10.163 -7.767 -5.833 1.00 42.23 H new ATOM 1172 N PRO A 78 -14.413 -6.660 -7.031 1.00 41.50 N ATOM 1173 CA PRO A 78 -15.722 -6.469 -7.668 1.00 64.05 C ATOM 1174 C PRO A 78 -16.528 -5.221 -7.270 1.00 34.41 C ATOM 1175 O PRO A 78 -16.603 -4.248 -8.050 1.00 61.42 O ATOM 1176 CB PRO A 78 -16.436 -7.766 -7.305 1.00 42.41 C ATOM 1177 CG PRO A 78 -15.333 -8.801 -7.243 1.00 44.43 C ATOM 1178 CD PRO A 78 -14.001 -8.051 -7.238 1.00 11.23 C ATOM 0 HA PRO A 78 -15.606 -6.275 -8.734 1.00 64.05 H new ATOM 0 HB2 PRO A 78 -16.954 -7.680 -6.350 1.00 42.41 H new ATOM 0 HB3 PRO A 78 -17.186 -8.029 -8.051 1.00 42.41 H new ATOM 0 HG2 PRO A 78 -15.432 -9.414 -6.347 1.00 44.43 H new ATOM 0 HG3 PRO A 78 -15.391 -9.475 -8.098 1.00 44.43 H new ATOM 0 HD2 PRO A 78 -13.343 -8.401 -6.443 1.00 11.23 H new ATOM 0 HD3 PRO A 78 -13.462 -8.178 -8.177 1.00 11.23 H new ATOM 1186 N ASN A 79 -17.065 -5.214 -6.071 1.00 22.34 N ATOM 1187 CA ASN A 79 -17.906 -4.109 -5.635 1.00 43.24 C ATOM 1188 C ASN A 79 -17.169 -3.170 -4.687 1.00 14.23 C ATOM 1189 O ASN A 79 -17.250 -3.312 -3.469 1.00 60.34 O ATOM 1190 CB ASN A 79 -19.223 -4.597 -5.003 1.00 4.14 C ATOM 1191 CG ASN A 79 -20.170 -3.448 -4.650 1.00 62.21 C ATOM 1192 OD1 ASN A 79 -20.192 -2.421 -5.310 1.00 44.23 O ATOM 1193 ND2 ASN A 79 -20.954 -3.621 -3.611 1.00 3.24 N ATOM 0 H ASN A 79 -16.939 -5.954 -5.380 1.00 22.34 H new ATOM 0 HA ASN A 79 -18.159 -3.545 -6.533 1.00 43.24 H new ATOM 0 HB2 ASN A 79 -19.723 -5.275 -5.694 1.00 4.14 H new ATOM 0 HB3 ASN A 79 -18.999 -5.168 -4.102 1.00 4.14 H new ATOM 0 HD21 ASN A 79 -21.605 -2.886 -3.335 1.00 3.24 H new ATOM 0 HD22 ASN A 79 -20.912 -4.491 -3.080 1.00 3.24 H new ATOM 1200 N ASN A 80 -16.345 -2.318 -5.281 1.00 24.45 N ATOM 1201 CA ASN A 80 -15.647 -1.192 -4.610 1.00 23.35 C ATOM 1202 C ASN A 80 -14.796 -1.545 -3.388 1.00 70.30 C ATOM 1203 O ASN A 80 -14.479 -0.672 -2.592 1.00 64.22 O ATOM 1204 CB ASN A 80 -16.614 -0.039 -4.298 1.00 20.24 C ATOM 1205 CG ASN A 80 -16.949 0.794 -5.526 1.00 51.52 C ATOM 1206 OD1 ASN A 80 -16.924 0.304 -6.664 1.00 54.12 O ATOM 1207 ND2 ASN A 80 -17.245 2.061 -5.319 1.00 35.24 N ATOM 0 H ASN A 80 -16.126 -2.380 -6.275 1.00 24.45 H new ATOM 0 HA ASN A 80 -14.915 -0.870 -5.351 1.00 23.35 H new ATOM 0 HB2 ASN A 80 -17.534 -0.445 -3.878 1.00 20.24 H new ATOM 0 HB3 ASN A 80 -16.173 0.604 -3.537 1.00 20.24 H new ATOM 0 HD21 ASN A 80 -17.462 2.669 -6.108 1.00 35.24 H new ATOM 0 HD22 ASN A 80 -17.257 2.433 -4.369 1.00 35.24 H new ATOM 1214 N ALA A 81 -14.380 -2.776 -3.277 1.00 72.34 N ATOM 1215 CA ALA A 81 -13.487 -3.188 -2.206 1.00 13.05 C ATOM 1216 C ALA A 81 -12.080 -3.203 -2.767 1.00 35.04 C ATOM 1217 O ALA A 81 -11.923 -3.170 -3.970 1.00 72.33 O ATOM 1218 CB ALA A 81 -13.884 -4.546 -1.643 1.00 35.24 C ATOM 0 H ALA A 81 -14.643 -3.525 -3.917 1.00 72.34 H new ATOM 0 HA ALA A 81 -13.548 -2.489 -1.372 1.00 13.05 H new ATOM 0 HB1 ALA A 81 -13.196 -4.824 -0.845 1.00 35.24 H new ATOM 0 HB2 ALA A 81 -14.898 -4.493 -1.246 1.00 35.24 H new ATOM 0 HB3 ALA A 81 -13.843 -5.294 -2.435 1.00 35.24 H new ATOM 1224 N THR A 82 -11.065 -3.206 -1.944 1.00 25.51 N ATOM 1225 CA THR A 82 -9.718 -3.134 -2.478 1.00 23.44 C ATOM 1226 C THR A 82 -8.794 -4.165 -1.800 1.00 3.50 C ATOM 1227 O THR A 82 -8.856 -4.354 -0.598 1.00 44.01 O ATOM 1228 CB THR A 82 -9.153 -1.723 -2.242 1.00 52.42 C ATOM 1229 OG1 THR A 82 -10.172 -0.755 -2.523 1.00 52.14 O ATOM 1230 CG2 THR A 82 -7.968 -1.450 -3.159 1.00 64.31 C ATOM 0 H THR A 82 -11.133 -3.256 -0.927 1.00 25.51 H new ATOM 0 HA THR A 82 -9.760 -3.355 -3.545 1.00 23.44 H new ATOM 0 HB THR A 82 -8.826 -1.655 -1.205 1.00 52.42 H new ATOM 0 HG1 THR A 82 -10.778 -0.686 -1.756 1.00 52.14 H new ATOM 0 HG21 THR A 82 -7.587 -0.446 -2.972 1.00 64.31 H new ATOM 0 HG22 THR A 82 -7.181 -2.179 -2.964 1.00 64.31 H new ATOM 0 HG23 THR A 82 -8.286 -1.530 -4.198 1.00 64.31 H new ATOM 1238 N ARG A 83 -7.981 -4.849 -2.568 1.00 12.15 N ATOM 1239 CA ARG A 83 -7.020 -5.757 -2.013 1.00 74.20 C ATOM 1240 C ARG A 83 -5.636 -5.191 -2.238 1.00 13.02 C ATOM 1241 O ARG A 83 -5.324 -4.732 -3.347 1.00 62.40 O ATOM 1242 CB ARG A 83 -7.078 -7.135 -2.628 1.00 34.20 C ATOM 1243 CG ARG A 83 -6.503 -8.175 -1.690 1.00 4.04 C ATOM 1244 CD ARG A 83 -6.119 -9.443 -2.388 1.00 72.33 C ATOM 1245 NE ARG A 83 -4.806 -9.319 -3.075 1.00 52.03 N ATOM 1246 CZ ARG A 83 -4.077 -10.344 -3.567 1.00 52.23 C ATOM 1247 NH1 ARG A 83 -4.575 -11.586 -3.566 1.00 40.21 N ATOM 1248 NH2 ARG A 83 -2.851 -10.118 -4.057 1.00 3.32 N ATOM 0 H ARG A 83 -7.970 -4.790 -3.586 1.00 12.15 H new ATOM 0 HA ARG A 83 -7.252 -5.864 -0.953 1.00 74.20 H new ATOM 0 HB2 ARG A 83 -8.111 -7.387 -2.866 1.00 34.20 H new ATOM 0 HB3 ARG A 83 -6.524 -7.141 -3.567 1.00 34.20 H new ATOM 0 HG2 ARG A 83 -5.627 -7.761 -1.191 1.00 4.04 H new ATOM 0 HG3 ARG A 83 -7.235 -8.401 -0.914 1.00 4.04 H new ATOM 0 HD2 ARG A 83 -6.075 -10.257 -1.665 1.00 72.33 H new ATOM 0 HD3 ARG A 83 -6.887 -9.704 -3.116 1.00 72.33 H new ATOM 0 HE ARG A 83 -4.423 -8.380 -3.184 1.00 52.03 H new ATOM 0 HH11 ARG A 83 -5.508 -11.761 -3.193 1.00 40.21 H new ATOM 0 HH12 ARG A 83 -4.022 -12.358 -3.938 1.00 40.21 H new ATOM 0 HH21 ARG A 83 -2.469 -9.172 -4.058 1.00 3.32 H new ATOM 0 HH22 ARG A 83 -2.300 -10.892 -4.429 1.00 3.32 H new ATOM 1262 N ILE A 84 -4.820 -5.221 -1.225 1.00 54.13 N ATOM 1263 CA ILE A 84 -3.499 -4.663 -1.288 1.00 71.33 C ATOM 1264 C ILE A 84 -2.457 -5.771 -1.225 1.00 50.12 C ATOM 1265 O ILE A 84 -2.573 -6.730 -0.448 1.00 41.00 O ATOM 1266 CB ILE A 84 -3.266 -3.590 -0.151 1.00 53.32 C ATOM 1267 CG1 ILE A 84 -3.677 -2.191 -0.605 1.00 74.11 C ATOM 1268 CG2 ILE A 84 -1.837 -3.566 0.361 1.00 73.01 C ATOM 1269 CD1 ILE A 84 -5.139 -2.018 -0.925 1.00 13.42 C ATOM 0 H ILE A 84 -5.054 -5.637 -0.324 1.00 54.13 H new ATOM 0 HA ILE A 84 -3.394 -4.145 -2.241 1.00 71.33 H new ATOM 0 HB ILE A 84 -3.905 -3.898 0.676 1.00 53.32 H new ATOM 0 HG12 ILE A 84 -3.407 -1.480 0.176 1.00 74.11 H new ATOM 0 HG13 ILE A 84 -3.096 -1.929 -1.489 1.00 74.11 H new ATOM 0 HG21 ILE A 84 -1.742 -2.809 1.139 1.00 73.01 H new ATOM 0 HG22 ILE A 84 -1.581 -4.543 0.772 1.00 73.01 H new ATOM 0 HG23 ILE A 84 -1.160 -3.329 -0.460 1.00 73.01 H new ATOM 0 HD11 ILE A 84 -5.324 -0.990 -1.237 1.00 13.42 H new ATOM 0 HD12 ILE A 84 -5.418 -2.697 -1.731 1.00 13.42 H new ATOM 0 HD13 ILE A 84 -5.734 -2.241 -0.040 1.00 13.42 H new ATOM 1281 N SER A 85 -1.503 -5.662 -2.119 1.00 22.22 N ATOM 1282 CA SER A 85 -0.405 -6.588 -2.235 1.00 13.21 C ATOM 1283 C SER A 85 0.882 -5.760 -2.178 1.00 51.14 C ATOM 1284 O SER A 85 1.020 -4.796 -2.931 1.00 41.41 O ATOM 1285 CB SER A 85 -0.532 -7.290 -3.585 1.00 1.34 C ATOM 1286 OG SER A 85 -1.910 -7.599 -3.834 1.00 54.43 O ATOM 0 H SER A 85 -1.470 -4.906 -2.803 1.00 22.22 H new ATOM 0 HA SER A 85 -0.400 -7.336 -1.442 1.00 13.21 H new ATOM 0 HB2 SER A 85 -0.142 -6.651 -4.377 1.00 1.34 H new ATOM 0 HB3 SER A 85 0.063 -8.203 -3.590 1.00 1.34 H new ATOM 0 HG SER A 85 -2.075 -7.604 -4.800 1.00 54.43 H new ATOM 1292 N ILE A 86 1.782 -6.085 -1.282 1.00 14.35 N ATOM 1293 CA ILE A 86 2.998 -5.292 -1.113 1.00 11.22 C ATOM 1294 C ILE A 86 4.242 -6.170 -1.333 1.00 32.15 C ATOM 1295 O ILE A 86 4.249 -7.346 -0.955 1.00 64.22 O ATOM 1296 CB ILE A 86 3.031 -4.603 0.301 1.00 43.21 C ATOM 1297 CG1 ILE A 86 1.716 -3.838 0.532 1.00 62.13 C ATOM 1298 CG2 ILE A 86 4.220 -3.640 0.422 1.00 41.32 C ATOM 1299 CD1 ILE A 86 1.599 -3.162 1.878 1.00 44.20 C ATOM 0 H ILE A 86 1.706 -6.887 -0.656 1.00 14.35 H new ATOM 0 HA ILE A 86 3.001 -4.501 -1.863 1.00 11.22 H new ATOM 0 HB ILE A 86 3.145 -5.379 1.058 1.00 43.21 H new ATOM 0 HG12 ILE A 86 1.611 -3.083 -0.247 1.00 62.13 H new ATOM 0 HG13 ILE A 86 0.884 -4.533 0.418 1.00 62.13 H new ATOM 0 HG21 ILE A 86 4.216 -3.179 1.410 1.00 41.32 H new ATOM 0 HG22 ILE A 86 5.150 -4.191 0.282 1.00 41.32 H new ATOM 0 HG23 ILE A 86 4.139 -2.865 -0.340 1.00 41.32 H new ATOM 0 HD11 ILE A 86 0.639 -2.650 1.946 1.00 44.20 H new ATOM 0 HD12 ILE A 86 1.668 -3.910 2.668 1.00 44.20 H new ATOM 0 HD13 ILE A 86 2.406 -2.438 1.993 1.00 44.20 H new ATOM 1311 N LYS A 87 5.305 -5.575 -1.863 1.00 62.12 N ATOM 1312 CA LYS A 87 6.518 -6.294 -2.234 1.00 3.13 C ATOM 1313 C LYS A 87 7.632 -5.896 -1.259 1.00 52.43 C ATOM 1314 O LYS A 87 7.728 -4.740 -0.834 1.00 44.41 O ATOM 1315 CB LYS A 87 6.892 -6.035 -3.749 1.00 21.13 C ATOM 1316 CG LYS A 87 8.083 -5.090 -4.051 1.00 14.34 C ATOM 1317 CD LYS A 87 9.439 -5.786 -3.871 1.00 10.22 C ATOM 1318 CE LYS A 87 10.598 -4.816 -4.035 1.00 45.31 C ATOM 1319 NZ LYS A 87 11.917 -5.444 -3.722 1.00 32.42 N ATOM 0 H LYS A 87 5.349 -4.573 -2.049 1.00 62.12 H new ATOM 0 HA LYS A 87 6.364 -7.370 -2.155 1.00 3.13 H new ATOM 0 HB2 LYS A 87 7.105 -6.999 -4.210 1.00 21.13 H new ATOM 0 HB3 LYS A 87 6.010 -5.631 -4.247 1.00 21.13 H new ATOM 0 HG2 LYS A 87 8.000 -4.720 -5.073 1.00 14.34 H new ATOM 0 HG3 LYS A 87 8.032 -4.223 -3.393 1.00 14.34 H new ATOM 0 HD2 LYS A 87 9.485 -6.243 -2.882 1.00 10.22 H new ATOM 0 HD3 LYS A 87 9.534 -6.592 -4.599 1.00 10.22 H new ATOM 0 HE2 LYS A 87 10.611 -4.440 -5.058 1.00 45.31 H new ATOM 0 HE3 LYS A 87 10.444 -3.957 -3.382 1.00 45.31 H new ATOM 0 HZ1 LYS A 87 12.654 -4.711 -3.699 1.00 32.42 H new ATOM 0 HZ2 LYS A 87 11.867 -5.913 -2.795 1.00 32.42 H new ATOM 0 HZ3 LYS A 87 12.149 -6.146 -4.453 1.00 32.42 H new ATOM 1333 N TYR A 88 8.382 -6.879 -0.835 1.00 54.23 N ATOM 1334 CA TYR A 88 9.355 -6.745 0.241 1.00 13.12 C ATOM 1335 C TYR A 88 10.764 -6.451 -0.251 1.00 55.15 C ATOM 1336 O TYR A 88 11.115 -6.719 -1.411 1.00 30.11 O ATOM 1337 CB TYR A 88 9.370 -8.032 1.075 1.00 64.33 C ATOM 1338 CG TYR A 88 9.704 -9.303 0.290 1.00 72.12 C ATOM 1339 CD1 TYR A 88 8.749 -9.926 -0.515 1.00 64.00 C ATOM 1340 CD2 TYR A 88 10.966 -9.880 0.364 1.00 24.33 C ATOM 1341 CE1 TYR A 88 9.044 -11.071 -1.219 1.00 45.20 C ATOM 1342 CE2 TYR A 88 11.268 -11.031 -0.340 1.00 53.14 C ATOM 1343 CZ TYR A 88 10.301 -11.619 -1.132 1.00 50.24 C ATOM 1344 OH TYR A 88 10.594 -12.761 -1.832 1.00 51.55 O ATOM 0 H TYR A 88 8.340 -7.819 -1.230 1.00 54.23 H new ATOM 0 HA TYR A 88 9.044 -5.890 0.841 1.00 13.12 H new ATOM 0 HB2 TYR A 88 10.096 -7.918 1.880 1.00 64.33 H new ATOM 0 HB3 TYR A 88 8.393 -8.157 1.542 1.00 64.33 H new ATOM 0 HD1 TYR A 88 7.759 -9.501 -0.587 1.00 64.00 H new ATOM 0 HD2 TYR A 88 11.724 -9.422 0.982 1.00 24.33 H new ATOM 0 HE1 TYR A 88 8.291 -11.537 -1.837 1.00 45.20 H new ATOM 0 HE2 TYR A 88 12.253 -11.467 -0.271 1.00 53.14 H new ATOM 0 HH TYR A 88 11.525 -13.018 -1.664 1.00 51.55 H new ATOM 1354 N GLY A 89 11.542 -5.866 0.619 1.00 63.00 N ATOM 1355 CA GLY A 89 12.903 -5.563 0.317 1.00 3.50 C ATOM 1356 C GLY A 89 13.851 -6.284 1.224 1.00 75.12 C ATOM 1357 O GLY A 89 13.567 -7.405 1.627 1.00 71.24 O ATOM 0 H GLY A 89 11.245 -5.589 1.555 1.00 63.00 H new ATOM 0 HA2 GLY A 89 13.114 -5.834 -0.718 1.00 3.50 H new ATOM 0 HA3 GLY A 89 13.064 -4.488 0.404 1.00 3.50 H new ATOM 1361 N SER A 90 14.910 -5.609 1.613 1.00 54.13 N ATOM 1362 CA SER A 90 16.023 -6.209 2.317 1.00 34.14 C ATOM 1363 C SER A 90 15.633 -6.856 3.674 1.00 0.45 C ATOM 1364 O SER A 90 16.101 -7.944 4.001 1.00 11.30 O ATOM 1365 CB SER A 90 17.031 -5.089 2.558 1.00 42.30 C ATOM 1366 OG SER A 90 17.135 -4.270 1.395 1.00 42.23 O ATOM 0 H SER A 90 15.024 -4.609 1.446 1.00 54.13 H new ATOM 0 HA SER A 90 16.423 -7.022 1.711 1.00 34.14 H new ATOM 0 HB2 SER A 90 16.720 -4.486 3.411 1.00 42.30 H new ATOM 0 HB3 SER A 90 18.005 -5.512 2.804 1.00 42.30 H new ATOM 0 HG SER A 90 16.929 -3.341 1.629 1.00 42.23 H new ATOM 1372 N GLN A 91 14.830 -6.175 4.474 1.00 31.13 N ATOM 1373 CA GLN A 91 14.371 -6.751 5.752 1.00 63.41 C ATOM 1374 C GLN A 91 12.908 -7.156 5.746 1.00 65.43 C ATOM 1375 O GLN A 91 12.356 -7.529 6.775 1.00 64.22 O ATOM 1376 CB GLN A 91 14.723 -5.857 6.937 1.00 12.44 C ATOM 1377 CG GLN A 91 16.224 -5.743 7.173 1.00 41.11 C ATOM 1378 CD GLN A 91 16.856 -7.056 7.622 1.00 1.21 C ATOM 1379 OE1 GLN A 91 16.970 -7.321 8.805 1.00 32.12 O ATOM 1380 NE2 GLN A 91 17.230 -7.897 6.687 1.00 34.15 N ATOM 0 H GLN A 91 14.480 -5.237 4.277 1.00 31.13 H new ATOM 0 HA GLN A 91 14.924 -7.682 5.875 1.00 63.41 H new ATOM 0 HB2 GLN A 91 14.311 -4.862 6.769 1.00 12.44 H new ATOM 0 HB3 GLN A 91 14.249 -6.251 7.836 1.00 12.44 H new ATOM 0 HG2 GLN A 91 16.707 -5.409 6.255 1.00 41.11 H new ATOM 0 HG3 GLN A 91 16.411 -4.979 7.928 1.00 41.11 H new ATOM 0 HE21 GLN A 91 17.122 -7.647 5.704 1.00 34.15 H new ATOM 0 HE22 GLN A 91 17.628 -8.800 6.943 1.00 34.15 H new ATOM 1389 N GLY A 92 12.285 -7.103 4.601 1.00 2.32 N ATOM 1390 CA GLY A 92 10.868 -7.357 4.561 1.00 21.33 C ATOM 1391 C GLY A 92 10.094 -6.055 4.659 1.00 21.42 C ATOM 1392 O GLY A 92 10.604 -5.066 5.160 1.00 54.42 O ATOM 0 H GLY A 92 12.721 -6.892 3.703 1.00 2.32 H new ATOM 0 HA2 GLY A 92 10.610 -7.872 3.635 1.00 21.33 H new ATOM 0 HA3 GLY A 92 10.587 -8.017 5.382 1.00 21.33 H new ATOM 1396 N ASN A 93 8.877 -6.039 4.187 1.00 22.44 N ATOM 1397 CA ASN A 93 8.093 -4.808 4.195 1.00 63.13 C ATOM 1398 C ASN A 93 7.153 -4.754 5.382 1.00 54.12 C ATOM 1399 O ASN A 93 6.574 -3.720 5.664 1.00 35.32 O ATOM 1400 CB ASN A 93 7.299 -4.654 2.874 1.00 24.25 C ATOM 1401 CG ASN A 93 6.239 -5.741 2.632 1.00 71.12 C ATOM 1402 OD1 ASN A 93 5.593 -6.242 3.541 1.00 61.53 O ATOM 1403 ND2 ASN A 93 6.068 -6.106 1.412 1.00 41.42 N ATOM 0 H ASN A 93 8.400 -6.850 3.793 1.00 22.44 H new ATOM 0 HA ASN A 93 8.792 -3.977 4.283 1.00 63.13 H new ATOM 0 HB2 ASN A 93 6.809 -3.680 2.872 1.00 24.25 H new ATOM 0 HB3 ASN A 93 8.002 -4.659 2.041 1.00 24.25 H new ATOM 0 HD21 ASN A 93 5.383 -6.827 1.187 1.00 41.42 H new ATOM 0 HD22 ASN A 93 6.618 -5.675 0.669 1.00 41.42 H new ATOM 1410 N SER A 94 7.046 -5.869 6.081 1.00 12.20 N ATOM 1411 CA SER A 94 6.048 -6.101 7.117 1.00 64.14 C ATOM 1412 C SER A 94 5.860 -4.938 8.122 1.00 53.10 C ATOM 1413 O SER A 94 4.734 -4.614 8.468 1.00 12.33 O ATOM 1414 CB SER A 94 6.384 -7.407 7.811 1.00 2.45 C ATOM 1415 OG SER A 94 6.570 -8.424 6.828 1.00 65.25 O ATOM 0 H SER A 94 7.669 -6.665 5.941 1.00 12.20 H new ATOM 0 HA SER A 94 5.076 -6.162 6.627 1.00 64.14 H new ATOM 0 HB2 SER A 94 7.288 -7.293 8.410 1.00 2.45 H new ATOM 0 HB3 SER A 94 5.582 -7.687 8.494 1.00 2.45 H new ATOM 0 HG SER A 94 6.789 -9.270 7.270 1.00 65.25 H new ATOM 1421 N ILE A 95 6.932 -4.292 8.537 1.00 51.31 N ATOM 1422 CA ILE A 95 6.829 -3.178 9.488 1.00 51.35 C ATOM 1423 C ILE A 95 6.151 -1.952 8.850 1.00 13.12 C ATOM 1424 O ILE A 95 5.147 -1.447 9.374 1.00 12.22 O ATOM 1425 CB ILE A 95 8.220 -2.812 10.149 1.00 30.14 C ATOM 1426 CG1 ILE A 95 8.588 -3.806 11.284 1.00 73.44 C ATOM 1427 CG2 ILE A 95 8.244 -1.379 10.691 1.00 2.21 C ATOM 1428 CD1 ILE A 95 8.659 -5.267 10.884 1.00 12.41 C ATOM 0 H ILE A 95 7.883 -4.510 8.239 1.00 51.31 H new ATOM 0 HA ILE A 95 6.187 -3.517 10.301 1.00 51.35 H new ATOM 0 HB ILE A 95 8.964 -2.888 9.356 1.00 30.14 H new ATOM 0 HG12 ILE A 95 9.553 -3.515 11.698 1.00 73.44 H new ATOM 0 HG13 ILE A 95 7.854 -3.703 12.084 1.00 73.44 H new ATOM 0 HG21 ILE A 95 9.218 -1.174 11.135 1.00 2.21 H new ATOM 0 HG22 ILE A 95 8.062 -0.679 9.876 1.00 2.21 H new ATOM 0 HG23 ILE A 95 7.469 -1.263 11.448 1.00 2.21 H new ATOM 0 HD11 ILE A 95 8.923 -5.870 11.753 1.00 12.41 H new ATOM 0 HD12 ILE A 95 7.690 -5.587 10.502 1.00 12.41 H new ATOM 0 HD13 ILE A 95 9.415 -5.396 10.110 1.00 12.41 H new ATOM 1440 N ARG A 96 6.640 -1.539 7.688 1.00 31.05 N ATOM 1441 CA ARG A 96 6.098 -0.360 7.020 1.00 72.44 C ATOM 1442 C ARG A 96 4.688 -0.630 6.518 1.00 23.51 C ATOM 1443 O ARG A 96 3.831 0.243 6.575 1.00 32.14 O ATOM 1444 CB ARG A 96 7.011 0.121 5.871 1.00 61.03 C ATOM 1445 CG ARG A 96 7.185 -0.858 4.726 1.00 2.04 C ATOM 1446 CD ARG A 96 8.198 -0.361 3.727 1.00 74.13 C ATOM 1447 NE ARG A 96 8.357 -1.286 2.593 1.00 70.23 N ATOM 1448 CZ ARG A 96 9.544 -1.645 2.081 1.00 72.04 C ATOM 1449 NH1 ARG A 96 10.647 -1.339 2.707 1.00 42.13 N ATOM 1450 NH2 ARG A 96 9.616 -2.358 0.969 1.00 11.32 N ATOM 0 H ARG A 96 7.404 -1.997 7.191 1.00 31.05 H new ATOM 0 HA ARG A 96 6.056 0.444 7.755 1.00 72.44 H new ATOM 0 HB2 ARG A 96 6.606 1.051 5.473 1.00 61.03 H new ATOM 0 HB3 ARG A 96 7.994 0.351 6.282 1.00 61.03 H new ATOM 0 HG2 ARG A 96 7.501 -1.825 5.117 1.00 2.04 H new ATOM 0 HG3 ARG A 96 6.227 -1.013 4.229 1.00 2.04 H new ATOM 0 HD2 ARG A 96 7.891 0.617 3.356 1.00 74.13 H new ATOM 0 HD3 ARG A 96 9.160 -0.227 4.222 1.00 74.13 H new ATOM 0 HE ARG A 96 7.515 -1.677 2.171 1.00 70.23 H new ATOM 0 HH11 ARG A 96 10.608 -0.826 3.588 1.00 42.13 H new ATOM 0 HH12 ARG A 96 11.548 -1.613 2.316 1.00 42.13 H new ATOM 0 HH21 ARG A 96 8.762 -2.642 0.489 1.00 11.32 H new ATOM 0 HH22 ARG A 96 10.526 -2.624 0.591 1.00 11.32 H new ATOM 1464 N SER A 97 4.452 -1.855 6.072 1.00 11.20 N ATOM 1465 CA SER A 97 3.165 -2.265 5.565 1.00 44.20 C ATOM 1466 C SER A 97 2.098 -2.228 6.647 1.00 14.43 C ATOM 1467 O SER A 97 1.013 -1.712 6.424 1.00 43.54 O ATOM 1468 CB SER A 97 3.275 -3.662 4.993 1.00 70.33 C ATOM 1469 OG SER A 97 4.259 -3.714 3.978 1.00 45.03 O ATOM 0 H SER A 97 5.157 -2.592 6.055 1.00 11.20 H new ATOM 0 HA SER A 97 2.866 -1.565 4.785 1.00 44.20 H new ATOM 0 HB2 SER A 97 3.527 -4.366 5.786 1.00 70.33 H new ATOM 0 HB3 SER A 97 2.311 -3.971 4.588 1.00 70.33 H new ATOM 0 HG SER A 97 5.145 -3.577 4.374 1.00 45.03 H new ATOM 1475 N SER A 98 2.430 -2.728 7.828 1.00 71.45 N ATOM 1476 CA SER A 98 1.485 -2.773 8.930 1.00 51.51 C ATOM 1477 C SER A 98 1.056 -1.361 9.337 1.00 53.32 C ATOM 1478 O SER A 98 -0.129 -1.101 9.576 1.00 1.32 O ATOM 1479 CB SER A 98 2.100 -3.544 10.099 1.00 70.32 C ATOM 1480 OG SER A 98 2.420 -4.870 9.686 1.00 31.21 O ATOM 0 H SER A 98 3.351 -3.109 8.047 1.00 71.45 H new ATOM 0 HA SER A 98 0.583 -3.297 8.613 1.00 51.51 H new ATOM 0 HB2 SER A 98 2.998 -3.036 10.450 1.00 70.32 H new ATOM 0 HB3 SER A 98 1.402 -3.572 10.936 1.00 70.32 H new ATOM 0 HG SER A 98 3.238 -4.856 9.147 1.00 31.21 H new ATOM 1486 N ALA A 99 2.010 -0.444 9.362 1.00 70.21 N ATOM 1487 CA ALA A 99 1.712 0.933 9.680 1.00 71.12 C ATOM 1488 C ALA A 99 0.918 1.575 8.550 1.00 63.23 C ATOM 1489 O ALA A 99 -0.071 2.251 8.792 1.00 54.33 O ATOM 1490 CB ALA A 99 2.988 1.711 9.967 1.00 12.35 C ATOM 0 H ALA A 99 2.993 -0.633 9.166 1.00 70.21 H new ATOM 0 HA ALA A 99 1.101 0.957 10.583 1.00 71.12 H new ATOM 0 HB1 ALA A 99 2.738 2.745 10.204 1.00 12.35 H new ATOM 0 HB2 ALA A 99 3.507 1.260 10.813 1.00 12.35 H new ATOM 0 HB3 ALA A 99 3.635 1.686 9.090 1.00 12.35 H new ATOM 1496 N LEU A 100 1.338 1.296 7.317 1.00 32.42 N ATOM 1497 CA LEU A 100 0.728 1.835 6.113 1.00 11.51 C ATOM 1498 C LEU A 100 -0.744 1.493 6.067 1.00 3.20 C ATOM 1499 O LEU A 100 -1.579 2.362 5.864 1.00 62.41 O ATOM 1500 CB LEU A 100 1.413 1.227 4.901 1.00 30.53 C ATOM 1501 CG LEU A 100 1.037 1.786 3.539 1.00 25.44 C ATOM 1502 CD1 LEU A 100 1.425 3.246 3.437 1.00 13.20 C ATOM 1503 CD2 LEU A 100 1.704 0.980 2.449 1.00 11.11 C ATOM 0 H LEU A 100 2.127 0.677 7.129 1.00 32.42 H new ATOM 0 HA LEU A 100 0.840 2.919 6.113 1.00 11.51 H new ATOM 0 HB2 LEU A 100 2.489 1.342 5.028 1.00 30.53 H new ATOM 0 HB3 LEU A 100 1.205 0.157 4.896 1.00 30.53 H new ATOM 0 HG LEU A 100 -0.044 1.714 3.416 1.00 25.44 H new ATOM 0 HD11 LEU A 100 1.148 3.628 2.455 1.00 13.20 H new ATOM 0 HD12 LEU A 100 0.906 3.815 4.208 1.00 13.20 H new ATOM 0 HD13 LEU A 100 2.502 3.347 3.575 1.00 13.20 H new ATOM 0 HD21 LEU A 100 1.429 1.387 1.476 1.00 11.11 H new ATOM 0 HD22 LEU A 100 2.786 1.029 2.571 1.00 11.11 H new ATOM 0 HD23 LEU A 100 1.378 -0.058 2.513 1.00 11.11 H new ATOM 1515 N ILE A 101 -1.042 0.236 6.307 1.00 62.43 N ATOM 1516 CA ILE A 101 -2.409 -0.262 6.289 1.00 22.31 C ATOM 1517 C ILE A 101 -3.279 0.460 7.318 1.00 3.24 C ATOM 1518 O ILE A 101 -4.388 0.891 6.990 1.00 31.01 O ATOM 1519 CB ILE A 101 -2.455 -1.807 6.505 1.00 33.11 C ATOM 1520 CG1 ILE A 101 -1.784 -2.543 5.330 1.00 3.51 C ATOM 1521 CG2 ILE A 101 -3.874 -2.319 6.729 1.00 62.23 C ATOM 1522 CD1 ILE A 101 -2.397 -2.250 3.970 1.00 52.21 C ATOM 0 H ILE A 101 -0.344 -0.476 6.521 1.00 62.43 H new ATOM 0 HA ILE A 101 -2.818 -0.052 5.301 1.00 22.31 H new ATOM 0 HB ILE A 101 -1.894 -2.020 7.415 1.00 33.11 H new ATOM 0 HG12 ILE A 101 -0.728 -2.273 5.304 1.00 3.51 H new ATOM 0 HG13 ILE A 101 -1.834 -3.616 5.514 1.00 3.51 H new ATOM 0 HG21 ILE A 101 -3.852 -3.399 6.874 1.00 62.23 H new ATOM 0 HG22 ILE A 101 -4.297 -1.842 7.613 1.00 62.23 H new ATOM 0 HG23 ILE A 101 -4.488 -2.082 5.860 1.00 62.23 H new ATOM 0 HD11 ILE A 101 -1.863 -2.810 3.202 1.00 52.21 H new ATOM 0 HD12 ILE A 101 -3.446 -2.547 3.972 1.00 52.21 H new ATOM 0 HD13 ILE A 101 -2.322 -1.183 3.759 1.00 52.21 H new ATOM 1534 N GLY A 102 -2.738 0.654 8.528 1.00 43.22 N ATOM 1535 CA GLY A 102 -3.466 1.350 9.582 1.00 14.03 C ATOM 1536 C GLY A 102 -3.830 2.764 9.181 1.00 11.32 C ATOM 1537 O GLY A 102 -4.928 3.262 9.489 1.00 43.40 O ATOM 0 H GLY A 102 -1.805 0.339 8.794 1.00 43.22 H new ATOM 0 HA2 GLY A 102 -4.374 0.796 9.822 1.00 14.03 H new ATOM 0 HA3 GLY A 102 -2.859 1.375 10.487 1.00 14.03 H new ATOM 1541 N ILE A 103 -2.924 3.390 8.473 1.00 73.31 N ATOM 1542 CA ILE A 103 -3.099 4.731 7.973 1.00 4.42 C ATOM 1543 C ILE A 103 -4.145 4.745 6.872 1.00 32.03 C ATOM 1544 O ILE A 103 -5.070 5.540 6.917 1.00 53.21 O ATOM 1545 CB ILE A 103 -1.762 5.267 7.427 1.00 51.22 C ATOM 1546 CG1 ILE A 103 -0.735 5.284 8.547 1.00 62.44 C ATOM 1547 CG2 ILE A 103 -1.931 6.670 6.827 1.00 64.52 C ATOM 1548 CD1 ILE A 103 0.673 5.397 8.059 1.00 32.53 C ATOM 0 H ILE A 103 -2.027 2.974 8.223 1.00 73.31 H new ATOM 0 HA ILE A 103 -3.434 5.370 8.790 1.00 4.42 H new ATOM 0 HB ILE A 103 -1.418 4.609 6.629 1.00 51.22 H new ATOM 0 HG12 ILE A 103 -0.949 6.120 9.214 1.00 62.44 H new ATOM 0 HG13 ILE A 103 -0.836 4.372 9.136 1.00 62.44 H new ATOM 0 HG21 ILE A 103 -0.971 7.022 6.450 1.00 64.52 H new ATOM 0 HG22 ILE A 103 -2.650 6.632 6.009 1.00 64.52 H new ATOM 0 HG23 ILE A 103 -2.292 7.353 7.596 1.00 64.52 H new ATOM 0 HD11 ILE A 103 1.354 5.403 8.910 1.00 32.53 H new ATOM 0 HD12 ILE A 103 0.904 4.548 7.416 1.00 32.53 H new ATOM 0 HD13 ILE A 103 0.789 6.322 7.494 1.00 32.53 H new ATOM 1560 N ILE A 104 -4.025 3.818 5.931 1.00 73.35 N ATOM 1561 CA ILE A 104 -4.926 3.761 4.783 1.00 63.01 C ATOM 1562 C ILE A 104 -6.365 3.543 5.238 1.00 42.31 C ATOM 1563 O ILE A 104 -7.256 4.314 4.873 1.00 54.14 O ATOM 1564 CB ILE A 104 -4.521 2.613 3.806 1.00 41.24 C ATOM 1565 CG1 ILE A 104 -3.119 2.856 3.235 1.00 62.00 C ATOM 1566 CG2 ILE A 104 -5.539 2.470 2.669 1.00 33.42 C ATOM 1567 CD1 ILE A 104 -2.586 1.698 2.411 1.00 14.51 C ATOM 0 H ILE A 104 -3.310 3.091 5.939 1.00 73.35 H new ATOM 0 HA ILE A 104 -4.850 4.715 4.262 1.00 63.01 H new ATOM 0 HB ILE A 104 -4.510 1.682 4.373 1.00 41.24 H new ATOM 0 HG12 ILE A 104 -3.139 3.752 2.615 1.00 62.00 H new ATOM 0 HG13 ILE A 104 -2.431 3.052 4.057 1.00 62.00 H new ATOM 0 HG21 ILE A 104 -5.231 1.663 2.004 1.00 33.42 H new ATOM 0 HG22 ILE A 104 -6.520 2.242 3.086 1.00 33.42 H new ATOM 0 HG23 ILE A 104 -5.591 3.403 2.107 1.00 33.42 H new ATOM 0 HD11 ILE A 104 -1.591 1.943 2.041 1.00 14.51 H new ATOM 0 HD12 ILE A 104 -2.532 0.804 3.032 1.00 14.51 H new ATOM 0 HD13 ILE A 104 -3.252 1.515 1.568 1.00 14.51 H new ATOM 1579 N GLU A 105 -6.581 2.551 6.088 1.00 4.55 N ATOM 1580 CA GLU A 105 -7.917 2.267 6.557 1.00 71.24 C ATOM 1581 C GLU A 105 -8.460 3.403 7.428 1.00 52.22 C ATOM 1582 O GLU A 105 -9.615 3.811 7.287 1.00 25.51 O ATOM 1583 CB GLU A 105 -8.013 0.891 7.252 1.00 62.15 C ATOM 1584 CG GLU A 105 -7.115 0.702 8.461 1.00 13.01 C ATOM 1585 CD GLU A 105 -7.281 -0.660 9.097 1.00 61.21 C ATOM 1586 OE1 GLU A 105 -8.159 -0.799 9.973 1.00 22.41 O ATOM 1587 OE2 GLU A 105 -6.558 -1.605 8.725 1.00 60.22 O ATOM 0 H GLU A 105 -5.855 1.939 6.460 1.00 4.55 H new ATOM 0 HA GLU A 105 -8.560 2.207 5.679 1.00 71.24 H new ATOM 0 HB2 GLU A 105 -9.046 0.731 7.561 1.00 62.15 H new ATOM 0 HB3 GLU A 105 -7.776 0.118 6.521 1.00 62.15 H new ATOM 0 HG2 GLU A 105 -6.075 0.836 8.162 1.00 13.01 H new ATOM 0 HG3 GLU A 105 -7.336 1.473 9.198 1.00 13.01 H new ATOM 1594 N GLY A 106 -7.606 3.954 8.273 1.00 42.51 N ATOM 1595 CA GLY A 106 -8.013 5.014 9.161 1.00 31.13 C ATOM 1596 C GLY A 106 -8.289 6.326 8.452 1.00 64.42 C ATOM 1597 O GLY A 106 -9.196 7.052 8.839 1.00 71.13 O ATOM 0 H GLY A 106 -6.627 3.680 8.358 1.00 42.51 H new ATOM 0 HA2 GLY A 106 -8.910 4.704 9.696 1.00 31.13 H new ATOM 0 HA3 GLY A 106 -7.234 5.171 9.908 1.00 31.13 H new ATOM 1601 N ASN A 107 -7.523 6.613 7.408 1.00 23.41 N ATOM 1602 CA ASN A 107 -7.674 7.856 6.628 1.00 24.23 C ATOM 1603 C ASN A 107 -9.035 7.849 5.962 1.00 12.03 C ATOM 1604 O ASN A 107 -9.714 8.878 5.897 1.00 1.22 O ATOM 1605 CB ASN A 107 -6.566 7.943 5.543 1.00 70.31 C ATOM 1606 CG ASN A 107 -6.433 9.302 4.802 1.00 2.43 C ATOM 1607 OD1 ASN A 107 -5.348 9.655 4.368 1.00 12.33 O ATOM 1608 ND2 ASN A 107 -7.502 10.058 4.643 1.00 31.32 N ATOM 0 H ASN A 107 -6.780 6.001 7.071 1.00 23.41 H new ATOM 0 HA ASN A 107 -7.584 8.717 7.291 1.00 24.23 H new ATOM 0 HB2 ASN A 107 -5.609 7.714 6.012 1.00 70.31 H new ATOM 0 HB3 ASN A 107 -6.751 7.166 4.802 1.00 70.31 H new ATOM 0 HD21 ASN A 107 -7.428 10.949 4.153 1.00 31.32 H new ATOM 0 HD22 ASN A 107 -8.403 9.751 5.010 1.00 31.32 H new ATOM 1615 N ILE A 108 -9.426 6.693 5.482 1.00 63.22 N ATOM 1616 CA ILE A 108 -10.718 6.522 4.857 1.00 61.24 C ATOM 1617 C ILE A 108 -11.822 6.685 5.895 1.00 50.01 C ATOM 1618 O ILE A 108 -12.797 7.380 5.661 1.00 62.25 O ATOM 1619 CB ILE A 108 -10.815 5.150 4.162 1.00 71.25 C ATOM 1620 CG1 ILE A 108 -9.702 5.042 3.113 1.00 32.41 C ATOM 1621 CG2 ILE A 108 -12.191 4.973 3.515 1.00 3.14 C ATOM 1622 CD1 ILE A 108 -9.584 3.690 2.468 1.00 71.41 C ATOM 0 H ILE A 108 -8.860 5.845 5.513 1.00 63.22 H new ATOM 0 HA ILE A 108 -10.841 7.289 4.093 1.00 61.24 H new ATOM 0 HB ILE A 108 -10.691 4.357 4.900 1.00 71.25 H new ATOM 0 HG12 ILE A 108 -9.878 5.787 2.337 1.00 32.41 H new ATOM 0 HG13 ILE A 108 -8.751 5.290 3.584 1.00 32.41 H new ATOM 0 HG21 ILE A 108 -12.242 3.999 3.029 1.00 3.14 H new ATOM 0 HG22 ILE A 108 -12.964 5.037 4.281 1.00 3.14 H new ATOM 0 HG23 ILE A 108 -12.348 5.757 2.774 1.00 3.14 H new ATOM 0 HD11 ILE A 108 -8.773 3.704 1.740 1.00 71.41 H new ATOM 0 HD12 ILE A 108 -9.375 2.940 3.231 1.00 71.41 H new ATOM 0 HD13 ILE A 108 -10.519 3.444 1.965 1.00 71.41 H new ATOM 1634 N ARG A 109 -11.631 6.076 7.064 1.00 4.23 N ATOM 1635 CA ARG A 109 -12.587 6.207 8.154 1.00 30.51 C ATOM 1636 C ARG A 109 -12.761 7.656 8.565 1.00 12.34 C ATOM 1637 O ARG A 109 -13.854 8.084 8.825 1.00 43.31 O ATOM 1638 CB ARG A 109 -12.190 5.348 9.355 1.00 65.22 C ATOM 1639 CG ARG A 109 -12.113 3.887 9.008 1.00 3.14 C ATOM 1640 CD ARG A 109 -11.986 2.991 10.223 1.00 23.53 C ATOM 1641 NE ARG A 109 -10.656 3.065 10.845 1.00 42.32 N ATOM 1642 CZ ARG A 109 -9.792 2.029 10.878 1.00 51.33 C ATOM 1643 NH1 ARG A 109 -10.118 0.879 10.313 1.00 64.44 N ATOM 1644 NH2 ARG A 109 -8.603 2.148 11.463 1.00 44.54 N ATOM 0 H ARG A 109 -10.824 5.489 7.277 1.00 4.23 H new ATOM 0 HA ARG A 109 -13.546 5.843 7.786 1.00 30.51 H new ATOM 0 HB2 ARG A 109 -11.224 5.681 9.734 1.00 65.22 H new ATOM 0 HB3 ARG A 109 -12.914 5.491 10.157 1.00 65.22 H new ATOM 0 HG2 ARG A 109 -13.005 3.606 8.449 1.00 3.14 H new ATOM 0 HG3 ARG A 109 -11.259 3.721 8.351 1.00 3.14 H new ATOM 0 HD2 ARG A 109 -12.742 3.271 10.957 1.00 23.53 H new ATOM 0 HD3 ARG A 109 -12.190 1.960 9.932 1.00 23.53 H new ATOM 0 HE ARG A 109 -10.371 3.946 11.274 1.00 42.32 H new ATOM 0 HH11 ARG A 109 -11.022 0.775 9.852 1.00 64.44 H new ATOM 0 HH12 ARG A 109 -9.465 0.096 10.338 1.00 64.44 H new ATOM 0 HH21 ARG A 109 -8.333 3.032 11.895 1.00 44.54 H new ATOM 0 HH22 ARG A 109 -7.961 1.355 11.480 1.00 44.54 H new ATOM 1658 N TYR A 110 -11.679 8.403 8.573 1.00 62.52 N ATOM 1659 CA TYR A 110 -11.705 9.824 8.906 1.00 13.24 C ATOM 1660 C TYR A 110 -12.542 10.602 7.876 1.00 60.41 C ATOM 1661 O TYR A 110 -13.208 11.562 8.202 1.00 32.10 O ATOM 1662 CB TYR A 110 -10.276 10.386 8.995 1.00 24.41 C ATOM 1663 CG TYR A 110 -10.188 11.823 9.471 1.00 22.12 C ATOM 1664 CD1 TYR A 110 -10.204 12.121 10.827 1.00 24.13 C ATOM 1665 CD2 TYR A 110 -10.084 12.880 8.570 1.00 24.42 C ATOM 1666 CE1 TYR A 110 -10.119 13.424 11.274 1.00 55.24 C ATOM 1667 CE2 TYR A 110 -9.997 14.185 9.012 1.00 74.25 C ATOM 1668 CZ TYR A 110 -10.016 14.451 10.364 1.00 32.34 C ATOM 1669 OH TYR A 110 -9.938 15.751 10.808 1.00 61.24 O ATOM 0 H TYR A 110 -10.749 8.048 8.349 1.00 62.52 H new ATOM 0 HA TYR A 110 -12.174 9.943 9.883 1.00 13.24 H new ATOM 0 HB2 TYR A 110 -9.695 9.758 9.670 1.00 24.41 H new ATOM 0 HB3 TYR A 110 -9.810 10.314 8.012 1.00 24.41 H new ATOM 0 HD1 TYR A 110 -10.284 11.318 11.545 1.00 24.13 H new ATOM 0 HD2 TYR A 110 -10.071 12.676 7.510 1.00 24.42 H new ATOM 0 HE1 TYR A 110 -10.133 13.637 12.333 1.00 55.24 H new ATOM 0 HE2 TYR A 110 -9.914 14.994 8.301 1.00 74.25 H new ATOM 0 HH TYR A 110 -9.869 16.355 10.040 1.00 61.24 H new ATOM 1679 N ALA A 111 -12.445 10.194 6.626 1.00 42.44 N ATOM 1680 CA ALA A 111 -13.208 10.823 5.559 1.00 65.34 C ATOM 1681 C ALA A 111 -14.705 10.561 5.737 1.00 23.41 C ATOM 1682 O ALA A 111 -15.534 11.424 5.464 1.00 0.41 O ATOM 1683 CB ALA A 111 -12.729 10.333 4.197 1.00 71.33 C ATOM 0 H ALA A 111 -11.845 9.428 6.321 1.00 42.44 H new ATOM 0 HA ALA A 111 -13.045 11.900 5.610 1.00 65.34 H new ATOM 0 HB1 ALA A 111 -13.312 10.815 3.412 1.00 71.33 H new ATOM 0 HB2 ALA A 111 -11.675 10.581 4.071 1.00 71.33 H new ATOM 0 HB3 ALA A 111 -12.857 9.252 4.133 1.00 71.33 H new ATOM 1689 N ASN A 112 -15.035 9.354 6.170 1.00 62.01 N ATOM 1690 CA ASN A 112 -16.424 8.974 6.412 1.00 53.21 C ATOM 1691 C ASN A 112 -16.959 9.530 7.723 1.00 72.52 C ATOM 1692 O ASN A 112 -18.120 9.926 7.806 1.00 3.34 O ATOM 1693 CB ASN A 112 -16.629 7.450 6.374 1.00 34.23 C ATOM 1694 CG ASN A 112 -16.479 6.842 4.989 1.00 15.41 C ATOM 1695 OD1 ASN A 112 -15.409 6.414 4.591 1.00 44.31 O ATOM 1696 ND2 ASN A 112 -17.561 6.799 4.245 1.00 51.01 N ATOM 0 H ASN A 112 -14.358 8.615 6.363 1.00 62.01 H new ATOM 0 HA ASN A 112 -16.992 9.418 5.595 1.00 53.21 H new ATOM 0 HB2 ASN A 112 -15.911 6.980 7.046 1.00 34.23 H new ATOM 0 HB3 ASN A 112 -17.623 7.217 6.756 1.00 34.23 H new ATOM 0 HD21 ASN A 112 -17.520 6.400 3.307 1.00 51.01 H new ATOM 0 HD22 ASN A 112 -18.442 7.165 4.605 1.00 51.01 H new