USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 39 TYR OH : rot 81:sc= 0.929 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 SER OG : rot 120:sc= -3.8! USER MOD Set 2.2: A 23 CYS SG : rot 60:sc= -1.99 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= -1.83 F(o=-5.8!,f=-2.4) USER MOD Set 3.2: A 10 ASN : amide:sc= -0.535 K(o=-2.4,f=-4!) USER MOD Set 4.1: A 5 HIS : no HE2:sc= -3.41! X(o=-8.7!,f=-8.9) USER MOD Set 4.2: A 92 ASN : amide:sc= -4.48 K(o=-8.7,f=-21!) USER MOD Set 4.3: A 94 SER OG : rot 77:sc= -0.807 USER MOD Single : A 3 ASN : amide:sc= -0.237 K(o=-0.24,f=-2.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -6.9! C(o=-6.9!,f=-9!) USER MOD Single : A 25 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.5) USER MOD Single : A 33 SER OG : rot 139:sc= 0.522 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.19! C(o=-6.2!,f=-16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.27! C(o=-2.3!,f=-2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc=-0.00432 F(o=-0.6,f=-0.0043) USER MOD Single : A 80 ASN : amide:sc= 0.793 K(o=0.79,f=-0.17) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.41) USER MOD Single : A 99 ASN : amide:sc= -1.74 K(o=-1.7,f=-4.1!) USER MOD Single : A 101 CYS SG : rot -48:sc= -0.336 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.686 -8.671 -4.067 1.00 0.13 N ATOM 21 CA GLY A 2 -5.249 -7.349 -3.862 1.00 0.10 C ATOM 22 C GLY A 2 -5.805 -6.752 -5.132 1.00 0.10 C ATOM 23 O GLY A 2 -5.350 -5.707 -5.598 1.00 0.11 O ATOM 0 HA2 GLY A 2 -6.041 -7.407 -3.115 1.00 0.10 H new ATOM 0 HA3 GLY A 2 -4.480 -6.689 -3.461 1.00 0.10 H new ATOM 27 N ASN A 3 -6.812 -7.416 -5.673 1.00 0.10 N ATOM 28 CA ASN A 3 -7.482 -6.969 -6.882 1.00 0.11 C ATOM 29 C ASN A 3 -8.123 -5.602 -6.673 1.00 0.11 C ATOM 30 O ASN A 3 -8.519 -4.943 -7.633 1.00 0.12 O ATOM 31 CB ASN A 3 -8.540 -7.984 -7.309 1.00 0.13 C ATOM 32 CG ASN A 3 -7.988 -9.035 -8.252 1.00 1.32 C ATOM 33 OD1 ASN A 3 -6.886 -8.892 -8.782 1.00 2.23 O ATOM 34 ND2 ASN A 3 -8.754 -10.098 -8.468 1.00 2.01 N ATOM 0 H ASN A 3 -7.189 -8.281 -5.286 1.00 0.10 H new ATOM 0 HA ASN A 3 -6.735 -6.883 -7.672 1.00 0.11 H new ATOM 0 HB2 ASN A 3 -8.948 -8.473 -6.424 1.00 0.13 H new ATOM 0 HB3 ASN A 3 -9.365 -7.462 -7.794 1.00 0.13 H new ATOM 0 HD21 ASN A 3 -8.436 -10.837 -9.095 1.00 2.01 H new ATOM 0 HD22 ASN A 3 -9.661 -10.175 -8.007 1.00 2.01 H new ATOM 41 N PHE A 4 -8.256 -5.191 -5.410 1.00 0.10 N ATOM 42 CA PHE A 4 -8.887 -3.917 -5.084 1.00 0.10 C ATOM 43 C PHE A 4 -8.370 -2.795 -5.983 1.00 0.10 C ATOM 44 O PHE A 4 -9.108 -1.870 -6.318 1.00 0.12 O ATOM 45 CB PHE A 4 -8.639 -3.565 -3.610 1.00 0.10 C ATOM 46 CG PHE A 4 -7.421 -2.710 -3.379 1.00 0.09 C ATOM 47 CD1 PHE A 4 -6.153 -3.195 -3.659 1.00 1.16 C ATOM 48 CD2 PHE A 4 -7.548 -1.419 -2.889 1.00 1.19 C ATOM 49 CE1 PHE A 4 -5.034 -2.409 -3.453 1.00 1.16 C ATOM 50 CE2 PHE A 4 -6.433 -0.630 -2.680 1.00 1.19 C ATOM 51 CZ PHE A 4 -5.175 -1.125 -2.963 1.00 0.11 C ATOM 0 H PHE A 4 -7.935 -5.722 -4.601 1.00 0.10 H new ATOM 0 HA PHE A 4 -9.959 -4.021 -5.254 1.00 0.10 H new ATOM 0 HB2 PHE A 4 -9.514 -3.045 -3.219 1.00 0.10 H new ATOM 0 HB3 PHE A 4 -8.535 -4.488 -3.040 1.00 0.10 H new ATOM 0 HD1 PHE A 4 -6.038 -4.198 -4.042 1.00 1.16 H new ATOM 0 HD2 PHE A 4 -8.529 -1.026 -2.668 1.00 1.19 H new ATOM 0 HE1 PHE A 4 -4.051 -2.798 -3.675 1.00 1.16 H new ATOM 0 HE2 PHE A 4 -6.545 0.373 -2.296 1.00 1.19 H new ATOM 0 HZ PHE A 4 -4.303 -0.509 -2.801 1.00 0.11 H new ATOM 61 N HIS A 5 -7.107 -2.886 -6.377 1.00 0.10 N ATOM 62 CA HIS A 5 -6.511 -1.878 -7.242 1.00 0.11 C ATOM 63 C HIS A 5 -7.232 -1.829 -8.586 1.00 0.11 C ATOM 64 O HIS A 5 -7.390 -0.762 -9.179 1.00 0.13 O ATOM 65 CB HIS A 5 -5.020 -2.168 -7.445 1.00 0.13 C ATOM 66 CG HIS A 5 -4.719 -3.039 -8.629 1.00 0.13 C ATOM 67 ND1 HIS A 5 -4.279 -2.538 -9.836 1.00 0.15 N ATOM 68 CD2 HIS A 5 -4.803 -4.381 -8.789 1.00 0.17 C ATOM 69 CE1 HIS A 5 -4.106 -3.533 -10.688 1.00 0.16 C ATOM 70 NE2 HIS A 5 -4.416 -4.662 -10.077 1.00 0.17 N ATOM 0 H HIS A 5 -6.478 -3.644 -6.113 1.00 0.10 H new ATOM 0 HA HIS A 5 -6.615 -0.905 -6.762 1.00 0.11 H new ATOM 0 HB2 HIS A 5 -4.490 -1.223 -7.559 1.00 0.13 H new ATOM 0 HB3 HIS A 5 -4.629 -2.646 -6.547 1.00 0.13 H new ATOM 0 HD1 HIS A 5 -4.113 -1.552 -10.039 1.00 0.15 H new ATOM 0 HD2 HIS A 5 -5.116 -5.097 -8.043 1.00 0.17 H new ATOM 0 HE1 HIS A 5 -3.769 -3.439 -11.710 1.00 0.16 H new ATOM 79 N GLU A 6 -7.661 -2.994 -9.060 1.00 0.11 N ATOM 80 CA GLU A 6 -8.359 -3.086 -10.335 1.00 0.12 C ATOM 81 C GLU A 6 -9.831 -2.705 -10.189 1.00 0.12 C ATOM 82 O GLU A 6 -10.482 -2.323 -11.161 1.00 0.13 O ATOM 83 CB GLU A 6 -8.225 -4.501 -10.907 1.00 0.13 C ATOM 84 CG GLU A 6 -9.109 -5.537 -10.225 1.00 0.16 C ATOM 85 CD GLU A 6 -10.008 -6.271 -11.201 1.00 0.26 C ATOM 86 OE1 GLU A 6 -10.704 -5.597 -11.989 1.00 1.14 O ATOM 87 OE2 GLU A 6 -10.016 -7.520 -11.178 1.00 1.13 O ATOM 0 H GLU A 6 -7.537 -3.886 -8.580 1.00 0.11 H new ATOM 0 HA GLU A 6 -7.900 -2.379 -11.026 1.00 0.12 H new ATOM 0 HB2 GLU A 6 -8.468 -4.476 -11.969 1.00 0.13 H new ATOM 0 HB3 GLU A 6 -7.185 -4.817 -10.825 1.00 0.13 H new ATOM 0 HG2 GLU A 6 -8.480 -6.258 -9.703 1.00 0.16 H new ATOM 0 HG3 GLU A 6 -9.723 -5.045 -9.471 1.00 0.16 H new ATOM 94 N SER A 7 -10.350 -2.811 -8.969 1.00 0.11 N ATOM 95 CA SER A 7 -11.745 -2.477 -8.702 1.00 0.12 C ATOM 96 C SER A 7 -11.862 -1.204 -7.864 1.00 0.11 C ATOM 97 O SER A 7 -12.924 -0.913 -7.314 1.00 0.12 O ATOM 98 CB SER A 7 -12.438 -3.637 -7.984 1.00 0.13 C ATOM 99 OG SER A 7 -12.236 -4.858 -8.673 1.00 1.28 O ATOM 0 H SER A 7 -9.827 -3.125 -8.152 1.00 0.11 H new ATOM 0 HA SER A 7 -12.235 -2.300 -9.660 1.00 0.12 H new ATOM 0 HB2 SER A 7 -12.053 -3.722 -6.968 1.00 0.13 H new ATOM 0 HB3 SER A 7 -13.506 -3.433 -7.904 1.00 0.13 H new ATOM 0 HG SER A 7 -12.687 -5.583 -8.193 1.00 1.28 H new ATOM 105 N SER A 8 -10.771 -0.447 -7.770 1.00 0.12 N ATOM 106 CA SER A 8 -10.771 0.792 -6.999 1.00 0.15 C ATOM 107 C SER A 8 -10.254 1.956 -7.837 1.00 0.16 C ATOM 108 O SER A 8 -9.493 1.763 -8.785 1.00 0.17 O ATOM 109 CB SER A 8 -9.916 0.639 -5.740 1.00 0.15 C ATOM 110 OG SER A 8 -9.961 1.812 -4.947 1.00 0.21 O ATOM 0 H SER A 8 -9.881 -0.669 -8.216 1.00 0.12 H new ATOM 0 HA SER A 8 -11.799 1.005 -6.707 1.00 0.15 H new ATOM 0 HB2 SER A 8 -10.270 -0.211 -5.157 1.00 0.15 H new ATOM 0 HB3 SER A 8 -8.885 0.426 -6.021 1.00 0.15 H new ATOM 0 HG SER A 8 -10.318 1.594 -4.061 1.00 0.21 H new ATOM 116 N ASN A 9 -10.673 3.164 -7.477 1.00 0.19 N ATOM 117 CA ASN A 9 -10.254 4.363 -8.189 1.00 0.23 C ATOM 118 C ASN A 9 -9.516 5.314 -7.253 1.00 0.23 C ATOM 119 O ASN A 9 -9.650 5.230 -6.032 1.00 0.23 O ATOM 120 CB ASN A 9 -11.466 5.064 -8.809 1.00 0.29 C ATOM 121 CG ASN A 9 -11.123 6.423 -9.389 1.00 0.75 C ATOM 122 OD1 ASN A 9 -11.044 7.428 -8.525 1.00 1.59 O flip ATOM 123 ND2 ASN A 9 -10.933 6.567 -10.596 1.00 0.56 N flip ATOM 0 H ASN A 9 -11.304 3.338 -6.695 1.00 0.19 H new ATOM 0 HA ASN A 9 -9.573 4.068 -8.987 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -11.883 4.433 -9.594 1.00 0.29 H new ATOM 0 HB3 ASN A 9 -12.240 5.182 -8.050 1.00 0.29 H new ATOM 0 HD21 ASN A 9 -11.004 5.765 -11.223 1.00 0.56 H new ATOM 0 HD22 ASN A 9 -10.704 7.488 -10.970 1.00 0.56 H new ATOM 130 N ASN A 10 -8.738 6.216 -7.836 1.00 0.25 N ATOM 131 CA ASN A 10 -7.974 7.185 -7.059 1.00 0.26 C ATOM 132 C ASN A 10 -7.036 6.481 -6.082 1.00 0.22 C ATOM 133 O ASN A 10 -7.115 6.687 -4.871 1.00 0.23 O ATOM 134 CB ASN A 10 -8.920 8.118 -6.299 1.00 0.28 C ATOM 135 CG ASN A 10 -9.340 9.316 -7.127 1.00 1.40 C ATOM 136 OD1 ASN A 10 -8.977 9.434 -8.297 1.00 2.24 O ATOM 137 ND2 ASN A 10 -10.109 10.213 -6.522 1.00 1.82 N ATOM 0 H ASN A 10 -8.619 6.298 -8.846 1.00 0.25 H new ATOM 0 HA ASN A 10 -7.371 7.775 -7.749 1.00 0.26 H new ATOM 0 HB2 ASN A 10 -9.807 7.562 -5.994 1.00 0.28 H new ATOM 0 HB3 ASN A 10 -8.431 8.463 -5.388 1.00 0.28 H new ATOM 0 HD21 ASN A 10 -10.423 11.041 -7.029 1.00 1.82 H new ATOM 0 HD22 ASN A 10 -10.386 10.075 -5.550 1.00 1.82 H new ATOM 144 N ILE A 11 -6.147 5.651 -6.618 1.00 0.20 N ATOM 145 CA ILE A 11 -5.192 4.918 -5.794 1.00 0.17 C ATOM 146 C ILE A 11 -3.879 5.685 -5.678 1.00 0.18 C ATOM 147 O ILE A 11 -3.192 5.912 -6.675 1.00 0.19 O ATOM 148 CB ILE A 11 -4.902 3.509 -6.360 1.00 0.17 C ATOM 149 CG1 ILE A 11 -6.078 3.003 -7.203 1.00 0.18 C ATOM 150 CG2 ILE A 11 -4.604 2.535 -5.230 1.00 0.16 C ATOM 151 CD1 ILE A 11 -7.402 3.015 -6.468 1.00 0.21 C ATOM 0 H ILE A 11 -6.068 5.469 -7.619 1.00 0.20 H new ATOM 0 HA ILE A 11 -5.646 4.810 -4.809 1.00 0.17 H new ATOM 0 HB ILE A 11 -4.026 3.577 -7.005 1.00 0.17 H new ATOM 0 HG12 ILE A 11 -6.164 3.619 -8.098 1.00 0.18 H new ATOM 0 HG13 ILE A 11 -5.865 1.987 -7.534 1.00 0.18 H new ATOM 0 HG21 ILE A 11 -4.402 1.547 -5.645 1.00 0.16 H new ATOM 0 HG22 ILE A 11 -3.733 2.880 -4.673 1.00 0.16 H new ATOM 0 HG23 ILE A 11 -5.463 2.479 -4.562 1.00 0.16 H new ATOM 0 HD11 ILE A 11 -8.187 2.644 -7.127 1.00 0.21 H new ATOM 0 HD12 ILE A 11 -7.335 2.376 -5.587 1.00 0.21 H new ATOM 0 HD13 ILE A 11 -7.638 4.034 -6.160 1.00 0.21 H new ATOM 163 N TRP A 12 -3.536 6.084 -4.458 1.00 0.17 N ATOM 164 CA TRP A 12 -2.306 6.830 -4.217 1.00 0.17 C ATOM 165 C TRP A 12 -1.920 6.783 -2.741 1.00 0.17 C ATOM 166 O TRP A 12 -2.539 6.071 -1.950 1.00 0.20 O ATOM 167 CB TRP A 12 -2.470 8.283 -4.668 1.00 0.18 C ATOM 168 CG TRP A 12 -3.531 9.024 -3.912 1.00 0.18 C ATOM 169 CD1 TRP A 12 -4.873 8.777 -3.929 1.00 0.19 C ATOM 170 CD2 TRP A 12 -3.338 10.133 -3.027 1.00 0.18 C ATOM 171 NE1 TRP A 12 -5.527 9.664 -3.109 1.00 0.20 N ATOM 172 CE2 TRP A 12 -4.606 10.507 -2.544 1.00 0.19 C ATOM 173 CE3 TRP A 12 -2.216 10.847 -2.595 1.00 0.19 C ATOM 174 CZ2 TRP A 12 -4.782 11.562 -1.652 1.00 0.21 C ATOM 175 CZ3 TRP A 12 -2.392 11.893 -1.710 1.00 0.21 C ATOM 176 CH2 TRP A 12 -3.667 12.242 -1.246 1.00 0.21 C ATOM 0 H TRP A 12 -4.091 5.904 -3.622 1.00 0.17 H new ATOM 0 HA TRP A 12 -1.509 6.364 -4.796 1.00 0.17 H new ATOM 0 HB2 TRP A 12 -1.519 8.802 -4.549 1.00 0.18 H new ATOM 0 HB3 TRP A 12 -2.712 8.301 -5.731 1.00 0.18 H new ATOM 0 HD1 TRP A 12 -5.351 7.998 -4.504 1.00 0.19 H new ATOM 0 HE1 TRP A 12 -6.534 9.691 -2.947 1.00 0.20 H new ATOM 0 HE3 TRP A 12 -1.229 10.585 -2.947 1.00 0.19 H new ATOM 0 HZ2 TRP A 12 -5.764 11.833 -1.294 1.00 0.21 H new ATOM 0 HZ3 TRP A 12 -1.532 12.451 -1.370 1.00 0.21 H new ATOM 0 HH2 TRP A 12 -3.771 13.064 -0.554 1.00 0.21 H new ATOM 187 N LEU A 13 -0.893 7.545 -2.378 1.00 0.17 N ATOM 188 CA LEU A 13 -0.425 7.588 -0.998 1.00 0.17 C ATOM 189 C LEU A 13 -0.239 9.027 -0.526 1.00 0.15 C ATOM 190 O LEU A 13 0.138 9.903 -1.304 1.00 0.16 O ATOM 191 CB LEU A 13 0.892 6.821 -0.862 1.00 0.21 C ATOM 192 CG LEU A 13 1.068 6.069 0.458 1.00 0.22 C ATOM 193 CD1 LEU A 13 -0.100 5.123 0.696 1.00 0.23 C ATOM 194 CD2 LEU A 13 2.386 5.308 0.464 1.00 0.28 C ATOM 0 H LEU A 13 -0.370 8.140 -3.020 1.00 0.17 H new ATOM 0 HA LEU A 13 -1.182 7.116 -0.371 1.00 0.17 H new ATOM 0 HB2 LEU A 13 0.966 6.107 -1.682 1.00 0.21 H new ATOM 0 HB3 LEU A 13 1.718 7.523 -0.976 1.00 0.21 H new ATOM 0 HG LEU A 13 1.087 6.796 1.270 1.00 0.22 H new ATOM 0 HD11 LEU A 13 0.044 4.597 1.640 1.00 0.23 H new ATOM 0 HD12 LEU A 13 -1.028 5.693 0.736 1.00 0.23 H new ATOM 0 HD13 LEU A 13 -0.154 4.400 -0.117 1.00 0.23 H new ATOM 0 HD21 LEU A 13 2.496 4.778 1.410 1.00 0.28 H new ATOM 0 HD22 LEU A 13 2.396 4.591 -0.357 1.00 0.28 H new ATOM 0 HD23 LEU A 13 3.212 6.009 0.343 1.00 0.28 H new ATOM 206 N GLU A 14 -0.505 9.262 0.755 1.00 0.14 N ATOM 207 CA GLU A 14 -0.367 10.593 1.335 1.00 0.14 C ATOM 208 C GLU A 14 0.661 10.586 2.463 1.00 0.15 C ATOM 209 O GLU A 14 0.496 9.889 3.464 1.00 0.15 O ATOM 210 CB GLU A 14 -1.719 11.089 1.855 1.00 0.14 C ATOM 211 CG GLU A 14 -1.633 12.377 2.659 1.00 0.16 C ATOM 212 CD GLU A 14 -2.983 12.833 3.177 1.00 0.19 C ATOM 213 OE1 GLU A 14 -3.633 12.054 3.907 1.00 1.14 O ATOM 214 OE2 GLU A 14 -3.391 13.968 2.853 1.00 1.09 O ATOM 0 H GLU A 14 -0.818 8.547 1.412 1.00 0.14 H new ATOM 0 HA GLU A 14 -0.019 11.272 0.556 1.00 0.14 H new ATOM 0 HB2 GLU A 14 -2.388 11.244 1.009 1.00 0.14 H new ATOM 0 HB3 GLU A 14 -2.165 10.313 2.477 1.00 0.14 H new ATOM 0 HG2 GLU A 14 -0.956 12.231 3.500 1.00 0.16 H new ATOM 0 HG3 GLU A 14 -1.203 13.162 2.036 1.00 0.16 H new ATOM 221 N ASP A 15 1.722 11.367 2.290 1.00 0.16 N ATOM 222 CA ASP A 15 2.782 11.456 3.288 1.00 0.18 C ATOM 223 C ASP A 15 3.455 10.101 3.505 1.00 0.19 C ATOM 224 O ASP A 15 4.136 9.891 4.509 1.00 0.20 O ATOM 225 CB ASP A 15 2.222 11.983 4.612 1.00 0.19 C ATOM 226 CG ASP A 15 2.835 13.311 5.012 1.00 0.29 C ATOM 227 OD1 ASP A 15 4.018 13.322 5.410 1.00 0.93 O ATOM 228 OD2 ASP A 15 2.131 14.339 4.927 1.00 0.85 O ATOM 0 H ASP A 15 1.871 11.949 1.466 1.00 0.16 H new ATOM 0 HA ASP A 15 3.534 12.152 2.916 1.00 0.18 H new ATOM 0 HB2 ASP A 15 1.141 12.096 4.527 1.00 0.19 H new ATOM 0 HB3 ASP A 15 2.405 11.250 5.398 1.00 0.19 H new ATOM 233 N GLY A 16 3.267 9.187 2.557 1.00 0.18 N ATOM 234 CA GLY A 16 3.869 7.871 2.664 1.00 0.20 C ATOM 235 C GLY A 16 3.427 7.117 3.904 1.00 0.19 C ATOM 236 O GLY A 16 4.259 6.688 4.704 1.00 0.20 O ATOM 0 H GLY A 16 2.708 9.335 1.717 1.00 0.18 H new ATOM 0 HA2 GLY A 16 3.613 7.287 1.780 1.00 0.20 H new ATOM 0 HA3 GLY A 16 4.954 7.974 2.675 1.00 0.20 H new ATOM 240 N HIS A 17 2.118 6.945 4.060 1.00 0.16 N ATOM 241 CA HIS A 17 1.577 6.225 5.209 1.00 0.16 C ATOM 242 C HIS A 17 0.057 6.078 5.112 1.00 0.14 C ATOM 243 O HIS A 17 -0.508 5.091 5.583 1.00 0.16 O ATOM 244 CB HIS A 17 1.968 6.922 6.517 1.00 0.16 C ATOM 245 CG HIS A 17 1.222 8.193 6.789 1.00 0.15 C ATOM 246 ND1 HIS A 17 1.128 9.224 5.879 1.00 0.18 N ATOM 247 CD2 HIS A 17 0.541 8.599 7.887 1.00 0.17 C ATOM 248 CE1 HIS A 17 0.422 10.210 6.406 1.00 0.19 C ATOM 249 NE2 HIS A 17 0.055 9.855 7.622 1.00 0.18 N ATOM 0 H HIS A 17 1.414 7.293 3.408 1.00 0.16 H new ATOM 0 HA HIS A 17 2.009 5.224 5.206 1.00 0.16 H new ATOM 0 HB2 HIS A 17 1.802 6.233 7.345 1.00 0.16 H new ATOM 0 HB3 HIS A 17 3.036 7.140 6.493 1.00 0.16 H new ATOM 0 HD1 HIS A 17 1.539 9.226 4.945 1.00 0.18 H new ATOM 0 HD2 HIS A 17 0.406 8.039 8.801 1.00 0.17 H new ATOM 0 HE1 HIS A 17 0.186 11.147 5.923 1.00 0.19 H new ATOM 258 N ILE A 18 -0.600 7.058 4.497 1.00 0.14 N ATOM 259 CA ILE A 18 -2.050 7.021 4.340 1.00 0.14 C ATOM 260 C ILE A 18 -2.435 6.617 2.920 1.00 0.15 C ATOM 261 O ILE A 18 -1.920 7.165 1.945 1.00 0.23 O ATOM 262 CB ILE A 18 -2.688 8.386 4.678 1.00 0.14 C ATOM 263 CG1 ILE A 18 -2.454 8.726 6.151 1.00 0.15 C ATOM 264 CG2 ILE A 18 -4.179 8.381 4.359 1.00 0.16 C ATOM 265 CD1 ILE A 18 -3.276 7.890 7.109 1.00 0.17 C ATOM 0 H ILE A 18 -0.153 7.885 4.101 1.00 0.14 H new ATOM 0 HA ILE A 18 -2.430 6.276 5.039 1.00 0.14 H new ATOM 0 HB ILE A 18 -2.214 9.151 4.063 1.00 0.14 H new ATOM 0 HG12 ILE A 18 -1.397 8.592 6.382 1.00 0.15 H new ATOM 0 HG13 ILE A 18 -2.685 9.779 6.312 1.00 0.15 H new ATOM 0 HG21 ILE A 18 -4.607 9.353 4.605 1.00 0.16 H new ATOM 0 HG22 ILE A 18 -4.323 8.179 3.298 1.00 0.16 H new ATOM 0 HG23 ILE A 18 -4.674 7.607 4.946 1.00 0.16 H new ATOM 0 HD11 ILE A 18 -3.056 8.189 8.134 1.00 0.17 H new ATOM 0 HD12 ILE A 18 -4.336 8.042 6.907 1.00 0.17 H new ATOM 0 HD13 ILE A 18 -3.029 6.837 6.977 1.00 0.17 H new ATOM 277 N LEU A 19 -3.344 5.653 2.813 1.00 0.13 N ATOM 278 CA LEU A 19 -3.801 5.170 1.515 1.00 0.15 C ATOM 279 C LEU A 19 -5.253 5.562 1.265 1.00 0.15 C ATOM 280 O LEU A 19 -6.084 5.515 2.171 1.00 0.15 O ATOM 281 CB LEU A 19 -3.654 3.650 1.437 1.00 0.17 C ATOM 282 CG LEU A 19 -3.895 3.047 0.053 1.00 0.24 C ATOM 283 CD1 LEU A 19 -3.177 1.714 -0.079 1.00 1.19 C ATOM 284 CD2 LEU A 19 -5.386 2.880 -0.202 1.00 1.39 C ATOM 0 H LEU A 19 -3.779 5.190 3.611 1.00 0.13 H new ATOM 0 HA LEU A 19 -3.182 5.632 0.746 1.00 0.15 H new ATOM 0 HB2 LEU A 19 -2.650 3.380 1.764 1.00 0.17 H new ATOM 0 HB3 LEU A 19 -4.352 3.196 2.141 1.00 0.17 H new ATOM 0 HG LEU A 19 -3.493 3.729 -0.696 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -3.359 1.299 -1.070 1.00 1.19 H new ATOM 0 HD12 LEU A 19 -2.106 1.862 0.061 1.00 1.19 H new ATOM 0 HD13 LEU A 19 -3.550 1.024 0.678 1.00 1.19 H new ATOM 0 HD21 LEU A 19 -5.540 2.450 -1.192 1.00 1.39 H new ATOM 0 HD22 LEU A 19 -5.812 2.218 0.552 1.00 1.39 H new ATOM 0 HD23 LEU A 19 -5.875 3.853 -0.149 1.00 1.39 H new ATOM 296 N HIS A 20 -5.550 5.945 0.028 1.00 0.16 N ATOM 297 CA HIS A 20 -6.904 6.341 -0.346 1.00 0.17 C ATOM 298 C HIS A 20 -7.314 5.666 -1.650 1.00 0.19 C ATOM 299 O HIS A 20 -6.533 5.604 -2.599 1.00 0.21 O ATOM 300 CB HIS A 20 -7.011 7.865 -0.492 1.00 0.20 C ATOM 301 CG HIS A 20 -5.867 8.618 0.115 1.00 0.19 C ATOM 302 ND1 HIS A 20 -4.589 8.586 -0.401 1.00 0.19 N ATOM 303 CD2 HIS A 20 -5.813 9.427 1.200 1.00 0.20 C ATOM 304 CE1 HIS A 20 -3.798 9.341 0.340 1.00 0.19 C ATOM 305 NE2 HIS A 20 -4.516 9.862 1.317 1.00 0.19 N ATOM 0 H HIS A 20 -4.872 5.990 -0.733 1.00 0.16 H new ATOM 0 HA HIS A 20 -7.578 6.022 0.449 1.00 0.17 H new ATOM 0 HB2 HIS A 20 -7.075 8.114 -1.551 1.00 0.20 H new ATOM 0 HB3 HIS A 20 -7.939 8.200 -0.029 1.00 0.20 H new ATOM 0 HD1 HIS A 20 -4.299 8.061 -1.226 1.00 0.19 H new ATOM 0 HD2 HIS A 20 -6.636 9.682 1.851 1.00 0.20 H new ATOM 0 HE1 HIS A 20 -2.743 9.504 0.174 1.00 0.19 H new ATOM 314 N ALA A 21 -8.541 5.158 -1.690 1.00 0.19 N ATOM 315 CA ALA A 21 -9.045 4.486 -2.879 1.00 0.21 C ATOM 316 C ALA A 21 -10.556 4.297 -2.808 1.00 0.20 C ATOM 317 O ALA A 21 -11.114 4.070 -1.734 1.00 0.23 O ATOM 318 CB ALA A 21 -8.350 3.145 -3.056 1.00 0.23 C ATOM 0 H ALA A 21 -9.202 5.199 -0.914 1.00 0.19 H new ATOM 0 HA ALA A 21 -8.828 5.115 -3.742 1.00 0.21 H new ATOM 0 HB1 ALA A 21 -8.735 2.651 -3.948 1.00 0.23 H new ATOM 0 HB2 ALA A 21 -7.277 3.303 -3.163 1.00 0.23 H new ATOM 0 HB3 ALA A 21 -8.540 2.519 -2.184 1.00 0.23 H new ATOM 324 N GLU A 22 -11.213 4.392 -3.959 1.00 0.22 N ATOM 325 CA GLU A 22 -12.661 4.231 -4.031 1.00 0.23 C ATOM 326 C GLU A 22 -13.025 2.830 -4.507 1.00 0.18 C ATOM 327 O GLU A 22 -13.023 2.551 -5.706 1.00 0.23 O ATOM 328 CB GLU A 22 -13.269 5.274 -4.973 1.00 0.38 C ATOM 329 CG GLU A 22 -12.543 6.610 -4.962 1.00 0.65 C ATOM 330 CD GLU A 22 -13.435 7.761 -5.382 1.00 1.36 C ATOM 331 OE1 GLU A 22 -14.269 8.197 -4.561 1.00 1.92 O ATOM 332 OE2 GLU A 22 -13.299 8.228 -6.533 1.00 2.13 O ATOM 0 H GLU A 22 -10.765 4.580 -4.856 1.00 0.22 H new ATOM 0 HA GLU A 22 -13.068 4.377 -3.030 1.00 0.23 H new ATOM 0 HB2 GLU A 22 -13.266 4.878 -5.989 1.00 0.38 H new ATOM 0 HB3 GLU A 22 -14.311 5.435 -4.697 1.00 0.38 H new ATOM 0 HG2 GLU A 22 -12.157 6.801 -3.961 1.00 0.65 H new ATOM 0 HG3 GLU A 22 -11.684 6.558 -5.631 1.00 0.65 H new ATOM 339 N CYS A 23 -13.337 1.950 -3.561 1.00 0.15 N ATOM 340 CA CYS A 23 -13.701 0.577 -3.887 1.00 0.17 C ATOM 341 C CYS A 23 -15.212 0.384 -3.829 1.00 0.19 C ATOM 342 O CYS A 23 -15.866 0.803 -2.875 1.00 0.24 O ATOM 343 CB CYS A 23 -13.014 -0.396 -2.926 1.00 0.20 C ATOM 344 SG CYS A 23 -11.258 -0.054 -2.660 1.00 0.17 S ATOM 0 H CYS A 23 -13.345 2.164 -2.564 1.00 0.15 H new ATOM 0 HA CYS A 23 -13.367 0.372 -4.904 1.00 0.17 H new ATOM 0 HB2 CYS A 23 -13.529 -0.366 -1.966 1.00 0.20 H new ATOM 0 HB3 CYS A 23 -13.121 -1.409 -3.313 1.00 0.20 H new ATOM 0 HG CYS A 23 -11.119 1.139 -2.163 1.00 0.17 H new ATOM 350 N GLY A 24 -15.760 -0.255 -4.858 1.00 0.18 N ATOM 351 CA GLY A 24 -17.190 -0.495 -4.905 1.00 0.21 C ATOM 352 C GLY A 24 -17.616 -1.635 -4.001 1.00 0.23 C ATOM 353 O GLY A 24 -16.789 -2.227 -3.308 1.00 0.29 O ATOM 0 H GLY A 24 -15.239 -0.611 -5.660 1.00 0.18 H new ATOM 0 HA2 GLY A 24 -17.718 0.413 -4.613 1.00 0.21 H new ATOM 0 HA3 GLY A 24 -17.484 -0.719 -5.930 1.00 0.21 H new ATOM 357 N ASN A 25 -18.909 -1.943 -4.007 1.00 0.23 N ATOM 358 CA ASN A 25 -19.441 -3.022 -3.179 1.00 0.27 C ATOM 359 C ASN A 25 -20.016 -4.140 -4.044 1.00 0.32 C ATOM 360 O ASN A 25 -19.951 -5.314 -3.681 1.00 0.38 O ATOM 361 CB ASN A 25 -20.518 -2.497 -2.216 1.00 0.28 C ATOM 362 CG ASN A 25 -20.953 -1.076 -2.526 1.00 0.27 C ATOM 363 OD1 ASN A 25 -20.720 -0.158 -1.740 1.00 0.30 O ATOM 364 ND2 ASN A 25 -21.588 -0.890 -3.676 1.00 0.29 N ATOM 0 H ASN A 25 -19.607 -1.462 -4.574 1.00 0.23 H new ATOM 0 HA ASN A 25 -18.616 -3.424 -2.592 1.00 0.27 H new ATOM 0 HB2 ASN A 25 -21.387 -3.154 -2.259 1.00 0.28 H new ATOM 0 HB3 ASN A 25 -20.136 -2.539 -1.196 1.00 0.28 H new ATOM 0 HD21 ASN A 25 -21.904 0.043 -3.939 1.00 0.29 H new ATOM 0 HD22 ASN A 25 -21.760 -1.680 -4.297 1.00 0.29 H new ATOM 433 N VAL A 31 -17.207 3.373 -3.132 1.00 0.23 N ATOM 434 CA VAL A 31 -17.123 3.755 -1.727 1.00 0.22 C ATOM 435 C VAL A 31 -15.710 4.196 -1.357 1.00 0.21 C ATOM 436 O VAL A 31 -14.774 3.398 -1.383 1.00 0.28 O ATOM 437 CB VAL A 31 -17.541 2.596 -0.803 1.00 0.21 C ATOM 438 CG1 VAL A 31 -17.687 3.081 0.631 1.00 0.26 C ATOM 439 CG2 VAL A 31 -18.833 1.960 -1.293 1.00 0.22 C ATOM 0 HA VAL A 31 -17.810 4.590 -1.588 1.00 0.22 H new ATOM 0 HB VAL A 31 -16.759 1.837 -0.827 1.00 0.21 H new ATOM 0 HG11 VAL A 31 -17.983 2.248 1.269 1.00 0.26 H new ATOM 0 HG12 VAL A 31 -16.735 3.483 0.978 1.00 0.26 H new ATOM 0 HG13 VAL A 31 -18.448 3.860 0.676 1.00 0.26 H new ATOM 0 HG21 VAL A 31 -19.112 1.143 -0.627 1.00 0.22 H new ATOM 0 HG22 VAL A 31 -19.626 2.708 -1.302 1.00 0.22 H new ATOM 0 HG23 VAL A 31 -18.688 1.573 -2.301 1.00 0.22 H new ATOM 449 N GLU A 32 -15.565 5.472 -1.013 1.00 0.24 N ATOM 450 CA GLU A 32 -14.273 6.021 -0.636 1.00 0.25 C ATOM 451 C GLU A 32 -13.770 5.396 0.661 1.00 0.23 C ATOM 452 O GLU A 32 -14.426 5.483 1.699 1.00 0.32 O ATOM 453 CB GLU A 32 -14.375 7.537 -0.479 1.00 0.32 C ATOM 454 CG GLU A 32 -13.071 8.258 -0.751 1.00 0.50 C ATOM 455 CD GLU A 32 -13.195 9.763 -0.616 1.00 0.88 C ATOM 456 OE1 GLU A 32 -13.576 10.232 0.477 1.00 1.55 O ATOM 457 OE2 GLU A 32 -12.911 10.474 -1.603 1.00 1.58 O ATOM 0 H GLU A 32 -16.331 6.145 -0.989 1.00 0.24 H new ATOM 0 HA GLU A 32 -13.560 5.787 -1.427 1.00 0.25 H new ATOM 0 HB2 GLU A 32 -15.139 7.915 -1.158 1.00 0.32 H new ATOM 0 HB3 GLU A 32 -14.706 7.769 0.533 1.00 0.32 H new ATOM 0 HG2 GLU A 32 -12.310 7.897 -0.059 1.00 0.50 H new ATOM 0 HG3 GLU A 32 -12.729 8.015 -1.757 1.00 0.50 H new ATOM 464 N SER A 33 -12.600 4.770 0.594 1.00 0.18 N ATOM 465 CA SER A 33 -12.006 4.134 1.763 1.00 0.19 C ATOM 466 C SER A 33 -10.514 4.436 1.843 1.00 0.14 C ATOM 467 O SER A 33 -9.892 4.808 0.847 1.00 0.17 O ATOM 468 CB SER A 33 -12.232 2.623 1.720 1.00 0.25 C ATOM 469 OG SER A 33 -13.571 2.317 1.371 1.00 0.70 O ATOM 0 H SER A 33 -12.045 4.690 -0.258 1.00 0.18 H new ATOM 0 HA SER A 33 -12.490 4.539 2.652 1.00 0.19 H new ATOM 0 HB2 SER A 33 -11.552 2.171 0.998 1.00 0.25 H new ATOM 0 HB3 SER A 33 -11.998 2.189 2.692 1.00 0.25 H new ATOM 0 HG SER A 33 -13.582 1.560 0.748 1.00 0.70 H new ATOM 475 N THR A 34 -9.944 4.278 3.032 1.00 0.15 N ATOM 476 CA THR A 34 -8.525 4.537 3.238 1.00 0.13 C ATOM 477 C THR A 34 -7.919 3.526 4.207 1.00 0.16 C ATOM 478 O THR A 34 -8.622 2.947 5.035 1.00 0.23 O ATOM 479 CB THR A 34 -8.319 5.958 3.767 1.00 0.16 C ATOM 480 OG1 THR A 34 -9.040 6.153 4.971 1.00 0.19 O ATOM 481 CG2 THR A 34 -8.756 7.029 2.791 1.00 0.24 C ATOM 0 H THR A 34 -10.443 3.972 3.867 1.00 0.15 H new ATOM 0 HA THR A 34 -8.019 4.436 2.278 1.00 0.13 H new ATOM 0 HB THR A 34 -7.245 6.054 3.929 1.00 0.16 H new ATOM 0 HG1 THR A 34 -8.895 7.066 5.295 1.00 0.19 H new ATOM 0 HG21 THR A 34 -8.583 8.012 3.228 1.00 0.24 H new ATOM 0 HG22 THR A 34 -8.183 6.936 1.868 1.00 0.24 H new ATOM 0 HG23 THR A 34 -9.817 6.911 2.572 1.00 0.24 H new ATOM 489 N LEU A 35 -6.611 3.319 4.095 1.00 0.15 N ATOM 490 CA LEU A 35 -5.910 2.376 4.959 1.00 0.18 C ATOM 491 C LEU A 35 -4.577 2.951 5.427 1.00 0.16 C ATOM 492 O LEU A 35 -3.871 3.611 4.664 1.00 0.17 O ATOM 493 CB LEU A 35 -5.675 1.056 4.223 1.00 0.22 C ATOM 494 CG LEU A 35 -5.301 -0.128 5.120 1.00 0.31 C ATOM 495 CD1 LEU A 35 -6.492 -1.057 5.302 1.00 0.51 C ATOM 496 CD2 LEU A 35 -4.116 -0.886 4.539 1.00 0.41 C ATOM 0 H LEU A 35 -6.015 3.791 3.415 1.00 0.15 H new ATOM 0 HA LEU A 35 -6.534 2.193 5.834 1.00 0.18 H new ATOM 0 HB2 LEU A 35 -6.578 0.801 3.668 1.00 0.22 H new ATOM 0 HB3 LEU A 35 -4.881 1.202 3.490 1.00 0.22 H new ATOM 0 HG LEU A 35 -5.014 0.259 6.098 1.00 0.31 H new ATOM 0 HD11 LEU A 35 -6.208 -1.892 5.942 1.00 0.51 H new ATOM 0 HD12 LEU A 35 -7.313 -0.509 5.764 1.00 0.51 H new ATOM 0 HD13 LEU A 35 -6.810 -1.436 4.331 1.00 0.51 H new ATOM 0 HD21 LEU A 35 -3.865 -1.723 5.190 1.00 0.41 H new ATOM 0 HD22 LEU A 35 -4.374 -1.261 3.549 1.00 0.41 H new ATOM 0 HD23 LEU A 35 -3.259 -0.217 4.462 1.00 0.41 H new ATOM 508 N ASP A 36 -4.238 2.691 6.685 1.00 0.16 N ATOM 509 CA ASP A 36 -2.989 3.175 7.257 1.00 0.14 C ATOM 510 C ASP A 36 -1.916 2.096 7.194 1.00 0.13 C ATOM 511 O ASP A 36 -2.100 0.991 7.694 1.00 0.13 O ATOM 512 CB ASP A 36 -3.205 3.616 8.706 1.00 0.16 C ATOM 513 CG ASP A 36 -1.968 4.253 9.310 1.00 0.42 C ATOM 514 OD1 ASP A 36 -0.878 4.116 8.716 1.00 1.23 O ATOM 515 OD2 ASP A 36 -2.089 4.890 10.378 1.00 1.23 O ATOM 0 H ASP A 36 -4.813 2.147 7.328 1.00 0.16 H new ATOM 0 HA ASP A 36 -2.654 4.032 6.673 1.00 0.14 H new ATOM 0 HB2 ASP A 36 -4.032 4.325 8.747 1.00 0.16 H new ATOM 0 HB3 ASP A 36 -3.495 2.753 9.306 1.00 0.16 H new ATOM 520 N LEU A 37 -0.800 2.423 6.565 1.00 0.12 N ATOM 521 CA LEU A 37 0.309 1.485 6.437 1.00 0.11 C ATOM 522 C LEU A 37 1.244 1.593 7.627 1.00 0.11 C ATOM 523 O LEU A 37 1.905 0.625 8.003 1.00 0.10 O ATOM 524 CB LEU A 37 1.075 1.743 5.155 1.00 0.12 C ATOM 525 CG LEU A 37 0.211 2.205 3.992 1.00 0.14 C ATOM 526 CD1 LEU A 37 0.916 3.308 3.238 1.00 0.16 C ATOM 527 CD2 LEU A 37 -0.124 1.031 3.092 1.00 0.15 C ATOM 0 H LEU A 37 -0.635 3.332 6.133 1.00 0.12 H new ATOM 0 HA LEU A 37 -0.103 0.476 6.407 1.00 0.11 H new ATOM 0 HB2 LEU A 37 1.838 2.497 5.347 1.00 0.12 H new ATOM 0 HB3 LEU A 37 1.595 0.830 4.866 1.00 0.12 H new ATOM 0 HG LEU A 37 -0.729 2.607 4.370 1.00 0.14 H new ATOM 0 HD11 LEU A 37 0.293 3.636 2.406 1.00 0.16 H new ATOM 0 HD12 LEU A 37 1.098 4.148 3.908 1.00 0.16 H new ATOM 0 HD13 LEU A 37 1.867 2.937 2.855 1.00 0.16 H new ATOM 0 HD21 LEU A 37 -0.743 1.373 2.263 1.00 0.15 H new ATOM 0 HD22 LEU A 37 0.797 0.597 2.702 1.00 0.15 H new ATOM 0 HD23 LEU A 37 -0.667 0.278 3.663 1.00 0.15 H new ATOM 539 N ASP A 38 1.290 2.782 8.222 1.00 0.11 N ATOM 540 CA ASP A 38 2.140 3.023 9.378 1.00 0.11 C ATOM 541 C ASP A 38 1.806 2.049 10.502 1.00 0.12 C ATOM 542 O ASP A 38 2.556 1.922 11.470 1.00 0.13 O ATOM 543 CB ASP A 38 1.980 4.463 9.868 1.00 0.13 C ATOM 544 CG ASP A 38 2.989 4.825 10.939 1.00 0.24 C ATOM 545 OD1 ASP A 38 4.168 4.436 10.801 1.00 1.16 O ATOM 546 OD2 ASP A 38 2.601 5.499 11.917 1.00 1.11 O ATOM 0 H ASP A 38 0.748 3.592 7.921 1.00 0.11 H new ATOM 0 HA ASP A 38 3.176 2.867 9.078 1.00 0.11 H new ATOM 0 HB2 ASP A 38 2.089 5.145 9.025 1.00 0.13 H new ATOM 0 HB3 ASP A 38 0.973 4.600 10.261 1.00 0.13 H new ATOM 551 N TYR A 39 0.677 1.357 10.366 1.00 0.12 N ATOM 552 CA TYR A 39 0.256 0.392 11.375 1.00 0.13 C ATOM 553 C TYR A 39 -0.076 -0.967 10.749 1.00 0.13 C ATOM 554 O TYR A 39 -0.505 -1.889 11.443 1.00 0.15 O ATOM 555 CB TYR A 39 -0.940 0.941 12.165 1.00 0.15 C ATOM 556 CG TYR A 39 -2.293 0.543 11.615 1.00 0.15 C ATOM 557 CD1 TYR A 39 -2.569 0.654 10.261 1.00 1.17 C ATOM 558 CD2 TYR A 39 -3.291 0.061 12.452 1.00 1.13 C ATOM 559 CE1 TYR A 39 -3.804 0.295 9.753 1.00 1.18 C ATOM 560 CE2 TYR A 39 -4.527 -0.301 11.953 1.00 1.13 C ATOM 561 CZ TYR A 39 -4.779 -0.181 10.603 1.00 0.17 C ATOM 562 OH TYR A 39 -6.009 -0.540 10.101 1.00 0.19 O ATOM 0 H TYR A 39 0.042 1.446 9.573 1.00 0.12 H new ATOM 0 HA TYR A 39 1.087 0.236 12.063 1.00 0.13 H new ATOM 0 HB2 TYR A 39 -0.866 0.597 13.197 1.00 0.15 H new ATOM 0 HB3 TYR A 39 -0.876 2.029 12.186 1.00 0.15 H new ATOM 0 HD1 TYR A 39 -1.807 1.027 9.592 1.00 1.17 H new ATOM 0 HD2 TYR A 39 -3.097 -0.032 13.510 1.00 1.13 H new ATOM 0 HE1 TYR A 39 -4.004 0.387 8.696 1.00 1.18 H new ATOM 0 HE2 TYR A 39 -5.292 -0.676 12.617 1.00 1.13 H new ATOM 0 HH TYR A 39 -5.956 -1.441 9.719 1.00 0.19 H new ATOM 572 N TYR A 40 0.131 -1.086 9.438 1.00 0.12 N ATOM 573 CA TYR A 40 -0.143 -2.333 8.731 1.00 0.14 C ATOM 574 C TYR A 40 1.129 -2.897 8.098 1.00 0.11 C ATOM 575 O TYR A 40 1.251 -4.106 7.905 1.00 0.14 O ATOM 576 CB TYR A 40 -1.209 -2.111 7.654 1.00 0.18 C ATOM 577 CG TYR A 40 -2.588 -2.593 8.050 1.00 0.23 C ATOM 578 CD1 TYR A 40 -3.004 -2.566 9.376 1.00 1.25 C ATOM 579 CD2 TYR A 40 -3.475 -3.076 7.095 1.00 1.18 C ATOM 580 CE1 TYR A 40 -4.263 -3.005 9.739 1.00 1.28 C ATOM 581 CE2 TYR A 40 -4.736 -3.517 7.450 1.00 1.19 C ATOM 582 CZ TYR A 40 -5.125 -3.479 8.772 1.00 0.36 C ATOM 583 OH TYR A 40 -6.379 -3.918 9.129 1.00 0.43 O ATOM 0 H TYR A 40 0.487 -0.335 8.847 1.00 0.12 H new ATOM 0 HA TYR A 40 -0.514 -3.056 9.457 1.00 0.14 H new ATOM 0 HB2 TYR A 40 -1.259 -1.048 7.420 1.00 0.18 H new ATOM 0 HB3 TYR A 40 -0.903 -2.624 6.742 1.00 0.18 H new ATOM 0 HD1 TYR A 40 -2.332 -2.196 10.136 1.00 1.25 H new ATOM 0 HD2 TYR A 40 -3.174 -3.107 6.058 1.00 1.18 H new ATOM 0 HE1 TYR A 40 -4.570 -2.977 10.774 1.00 1.28 H new ATOM 0 HE2 TYR A 40 -5.413 -3.889 6.696 1.00 1.19 H new ATOM 0 HH TYR A 40 -6.860 -4.218 8.330 1.00 0.43 H new ATOM 593 N ILE A 41 2.072 -2.015 7.774 1.00 0.14 N ATOM 594 CA ILE A 41 3.329 -2.430 7.162 1.00 0.12 C ATOM 595 C ILE A 41 4.523 -2.001 8.012 1.00 0.10 C ATOM 596 O ILE A 41 4.518 -0.926 8.612 1.00 0.09 O ATOM 597 CB ILE A 41 3.479 -1.848 5.740 1.00 0.13 C ATOM 598 CG1 ILE A 41 2.401 -2.422 4.820 1.00 0.16 C ATOM 599 CG2 ILE A 41 4.866 -2.139 5.179 1.00 0.13 C ATOM 600 CD1 ILE A 41 1.903 -1.436 3.788 1.00 0.14 C ATOM 0 H ILE A 41 1.988 -1.010 7.925 1.00 0.14 H new ATOM 0 HA ILE A 41 3.309 -3.518 7.098 1.00 0.12 H new ATOM 0 HB ILE A 41 3.355 -0.766 5.796 1.00 0.13 H new ATOM 0 HG12 ILE A 41 2.799 -3.300 4.310 1.00 0.16 H new ATOM 0 HG13 ILE A 41 1.559 -2.759 5.425 1.00 0.16 H new ATOM 0 HG21 ILE A 41 4.948 -1.719 4.176 1.00 0.13 H new ATOM 0 HG22 ILE A 41 5.621 -1.689 5.824 1.00 0.13 H new ATOM 0 HG23 ILE A 41 5.022 -3.217 5.135 1.00 0.13 H new ATOM 0 HD11 ILE A 41 1.140 -1.910 3.170 1.00 0.14 H new ATOM 0 HD12 ILE A 41 1.475 -0.568 4.290 1.00 0.14 H new ATOM 0 HD13 ILE A 41 2.734 -1.118 3.158 1.00 0.14 H new ATOM 612 N GLY A 42 5.546 -2.849 8.054 1.00 0.11 N ATOM 613 CA GLY A 42 6.735 -2.543 8.828 1.00 0.11 C ATOM 614 C GLY A 42 8.008 -2.720 8.026 1.00 0.12 C ATOM 615 O GLY A 42 7.968 -3.134 6.867 1.00 0.13 O ATOM 0 H GLY A 42 5.573 -3.744 7.565 1.00 0.11 H new ATOM 0 HA2 GLY A 42 6.676 -1.516 9.189 1.00 0.11 H new ATOM 0 HA3 GLY A 42 6.769 -3.188 9.706 1.00 0.11 H new ATOM 619 N ASN A 43 9.143 -2.405 8.642 1.00 0.14 N ATOM 620 CA ASN A 43 10.434 -2.533 7.977 1.00 0.16 C ATOM 621 C ASN A 43 11.168 -3.784 8.448 1.00 0.12 C ATOM 622 O ASN A 43 11.605 -3.864 9.597 1.00 0.13 O ATOM 623 CB ASN A 43 11.292 -1.294 8.240 1.00 0.23 C ATOM 624 CG ASN A 43 12.628 -1.350 7.523 1.00 0.31 C ATOM 625 OD1 ASN A 43 13.037 -2.401 7.028 1.00 0.62 O ATOM 626 ND2 ASN A 43 13.316 -0.216 7.463 1.00 0.17 N ATOM 0 H ASN A 43 9.194 -2.059 9.600 1.00 0.14 H new ATOM 0 HA ASN A 43 10.255 -2.621 6.905 1.00 0.16 H new ATOM 0 HB2 ASN A 43 10.749 -0.405 7.920 1.00 0.23 H new ATOM 0 HB3 ASN A 43 11.462 -1.195 9.312 1.00 0.23 H new ATOM 0 HD21 ASN A 43 14.221 -0.193 6.993 1.00 0.17 H new ATOM 0 HD22 ASN A 43 12.940 0.632 7.887 1.00 0.17 H new ATOM 633 N ASP A 44 11.302 -4.757 7.553 1.00 0.12 N ATOM 634 CA ASP A 44 11.986 -6.003 7.876 1.00 0.13 C ATOM 635 C ASP A 44 13.298 -6.117 7.106 1.00 0.14 C ATOM 636 O ASP A 44 13.312 -6.510 5.939 1.00 0.17 O ATOM 637 CB ASP A 44 11.089 -7.199 7.554 1.00 0.18 C ATOM 638 CG ASP A 44 11.622 -8.495 8.134 1.00 0.29 C ATOM 639 OD1 ASP A 44 12.173 -8.462 9.254 1.00 1.19 O ATOM 640 OD2 ASP A 44 11.488 -9.543 7.467 1.00 1.09 O ATOM 0 H ASP A 44 10.946 -4.706 6.599 1.00 0.12 H new ATOM 0 HA ASP A 44 12.209 -6.001 8.943 1.00 0.13 H new ATOM 0 HB2 ASP A 44 10.088 -7.014 7.944 1.00 0.18 H new ATOM 0 HB3 ASP A 44 10.996 -7.299 6.473 1.00 0.18 H new ATOM 645 N ASP A 45 14.399 -5.771 7.766 1.00 0.13 N ATOM 646 CA ASP A 45 15.714 -5.836 7.140 1.00 0.14 C ATOM 647 C ASP A 45 15.779 -4.921 5.921 1.00 0.13 C ATOM 648 O ASP A 45 16.257 -5.317 4.858 1.00 0.16 O ATOM 649 CB ASP A 45 16.037 -7.274 6.733 1.00 0.16 C ATOM 650 CG ASP A 45 17.445 -7.420 6.191 1.00 0.17 C ATOM 651 OD1 ASP A 45 18.398 -7.042 6.905 1.00 0.98 O ATOM 652 OD2 ASP A 45 17.596 -7.911 5.053 1.00 1.00 O ATOM 0 H ASP A 45 14.406 -5.444 8.732 1.00 0.13 H new ATOM 0 HA ASP A 45 16.454 -5.498 7.866 1.00 0.14 H new ATOM 0 HB2 ASP A 45 15.913 -7.929 7.595 1.00 0.16 H new ATOM 0 HB3 ASP A 45 15.324 -7.603 5.977 1.00 0.16 H new ATOM 657 N GLY A 46 15.293 -3.695 6.083 1.00 0.12 N ATOM 658 CA GLY A 46 15.303 -2.744 4.988 1.00 0.12 C ATOM 659 C GLY A 46 14.329 -3.113 3.885 1.00 0.11 C ATOM 660 O GLY A 46 14.438 -2.619 2.763 1.00 0.13 O ATOM 0 H GLY A 46 14.893 -3.343 6.953 1.00 0.12 H new ATOM 0 HA2 GLY A 46 15.055 -1.754 5.370 1.00 0.12 H new ATOM 0 HA3 GLY A 46 16.309 -2.683 4.574 1.00 0.12 H new ATOM 664 N SER A 47 13.374 -3.984 4.201 1.00 0.10 N ATOM 665 CA SER A 47 12.381 -4.416 3.224 1.00 0.11 C ATOM 666 C SER A 47 10.967 -4.235 3.770 1.00 0.10 C ATOM 667 O SER A 47 10.771 -4.079 4.975 1.00 0.17 O ATOM 668 CB SER A 47 12.612 -5.880 2.844 1.00 0.12 C ATOM 669 OG SER A 47 13.279 -5.985 1.599 1.00 0.87 O ATOM 0 H SER A 47 13.268 -4.403 5.125 1.00 0.10 H new ATOM 0 HA SER A 47 12.489 -3.797 2.334 1.00 0.11 H new ATOM 0 HB2 SER A 47 13.201 -6.371 3.618 1.00 0.12 H new ATOM 0 HB3 SER A 47 11.656 -6.401 2.793 1.00 0.12 H new ATOM 0 HG SER A 47 13.416 -6.930 1.380 1.00 0.87 H new ATOM 675 N PHE A 48 9.986 -4.257 2.873 1.00 0.09 N ATOM 676 CA PHE A 48 8.590 -4.096 3.263 1.00 0.08 C ATOM 677 C PHE A 48 8.019 -5.407 3.794 1.00 0.08 C ATOM 678 O PHE A 48 8.312 -6.481 3.269 1.00 0.09 O ATOM 679 CB PHE A 48 7.761 -3.611 2.072 1.00 0.09 C ATOM 680 CG PHE A 48 7.978 -2.162 1.737 1.00 0.10 C ATOM 681 CD1 PHE A 48 7.894 -1.190 2.721 1.00 1.17 C ATOM 682 CD2 PHE A 48 8.263 -1.773 0.438 1.00 1.12 C ATOM 683 CE1 PHE A 48 8.091 0.143 2.415 1.00 1.18 C ATOM 684 CE2 PHE A 48 8.462 -0.441 0.127 1.00 1.11 C ATOM 685 CZ PHE A 48 8.375 0.518 1.117 1.00 0.16 C ATOM 0 H PHE A 48 10.132 -4.385 1.872 1.00 0.09 H new ATOM 0 HA PHE A 48 8.543 -3.352 4.058 1.00 0.08 H new ATOM 0 HB2 PHE A 48 8.005 -4.217 1.200 1.00 0.09 H new ATOM 0 HB3 PHE A 48 6.704 -3.771 2.286 1.00 0.09 H new ATOM 0 HD1 PHE A 48 7.672 -1.477 3.738 1.00 1.17 H new ATOM 0 HD2 PHE A 48 8.330 -2.519 -0.340 1.00 1.12 H new ATOM 0 HE1 PHE A 48 8.023 0.891 3.191 1.00 1.18 H new ATOM 0 HE2 PHE A 48 8.685 -0.151 -0.889 1.00 1.11 H new ATOM 0 HZ PHE A 48 8.529 1.560 0.876 1.00 0.16 H new ATOM 695 N SER A 49 7.203 -5.312 4.840 1.00 0.08 N ATOM 696 CA SER A 49 6.592 -6.492 5.442 1.00 0.08 C ATOM 697 C SER A 49 5.091 -6.296 5.628 1.00 0.07 C ATOM 698 O SER A 49 4.653 -5.323 6.241 1.00 0.08 O ATOM 699 CB SER A 49 7.248 -6.800 6.789 1.00 0.10 C ATOM 700 OG SER A 49 7.227 -8.190 7.061 1.00 1.28 O ATOM 0 H SER A 49 6.950 -4.431 5.288 1.00 0.08 H new ATOM 0 HA SER A 49 6.748 -7.334 4.767 1.00 0.08 H new ATOM 0 HB2 SER A 49 8.278 -6.443 6.786 1.00 0.10 H new ATOM 0 HB3 SER A 49 6.727 -6.263 7.582 1.00 0.10 H new ATOM 0 HG SER A 49 7.654 -8.360 7.927 1.00 1.28 H new ATOM 706 N TRP A 50 4.307 -7.229 5.095 1.00 0.07 N ATOM 707 CA TRP A 50 2.855 -7.161 5.204 1.00 0.08 C ATOM 708 C TRP A 50 2.398 -7.537 6.610 1.00 0.08 C ATOM 709 O TRP A 50 2.642 -8.651 7.075 1.00 0.08 O ATOM 710 CB TRP A 50 2.204 -8.089 4.178 1.00 0.08 C ATOM 711 CG TRP A 50 2.040 -7.460 2.828 1.00 0.08 C ATOM 712 CD1 TRP A 50 2.583 -7.892 1.653 1.00 0.09 C ATOM 713 CD2 TRP A 50 1.285 -6.284 2.515 1.00 0.08 C ATOM 714 NE1 TRP A 50 2.211 -7.057 0.627 1.00 0.09 N ATOM 715 CE2 TRP A 50 1.414 -6.063 1.131 1.00 0.08 C ATOM 716 CE3 TRP A 50 0.511 -5.398 3.270 1.00 0.08 C ATOM 717 CZ2 TRP A 50 0.799 -4.992 0.487 1.00 0.08 C ATOM 718 CZ3 TRP A 50 -0.100 -4.336 2.629 1.00 0.09 C ATOM 719 CH2 TRP A 50 0.047 -4.141 1.250 1.00 0.09 C ATOM 0 H TRP A 50 4.654 -8.041 4.584 1.00 0.07 H new ATOM 0 HA TRP A 50 2.546 -6.135 5.004 1.00 0.08 H new ATOM 0 HB2 TRP A 50 2.808 -8.991 4.080 1.00 0.08 H new ATOM 0 HB3 TRP A 50 1.227 -8.399 4.548 1.00 0.08 H new ATOM 0 HD1 TRP A 50 3.213 -8.763 1.545 1.00 0.09 H new ATOM 0 HE1 TRP A 50 2.484 -7.160 -0.350 1.00 0.09 H new ATOM 0 HE3 TRP A 50 0.392 -5.540 4.334 1.00 0.08 H new ATOM 0 HZ2 TRP A 50 0.912 -4.839 -0.576 1.00 0.08 H new ATOM 0 HZ3 TRP A 50 -0.701 -3.645 3.202 1.00 0.09 H new ATOM 0 HH2 TRP A 50 -0.443 -3.302 0.779 1.00 0.09 H new ATOM 730 N GLY A 51 1.736 -6.602 7.282 1.00 0.10 N ATOM 731 CA GLY A 51 1.258 -6.856 8.629 1.00 0.11 C ATOM 732 C GLY A 51 2.134 -6.218 9.692 1.00 0.11 C ATOM 733 O GLY A 51 1.979 -6.500 10.880 1.00 0.12 O ATOM 0 H GLY A 51 1.522 -5.673 6.919 1.00 0.10 H new ATOM 0 HA2 GLY A 51 0.241 -6.477 8.727 1.00 0.11 H new ATOM 0 HA3 GLY A 51 1.214 -7.932 8.798 1.00 0.11 H new ATOM 737 N GLY A 52 3.054 -5.355 9.268 1.00 0.10 N ATOM 738 CA GLY A 52 3.935 -4.692 10.209 1.00 0.10 C ATOM 739 C GLY A 52 3.422 -3.324 10.610 1.00 0.10 C ATOM 740 O GLY A 52 2.213 -3.095 10.649 1.00 0.10 O ATOM 0 H GLY A 52 3.203 -5.105 8.291 1.00 0.10 H new ATOM 0 HA2 GLY A 52 4.045 -5.312 11.099 1.00 0.10 H new ATOM 0 HA3 GLY A 52 4.926 -4.591 9.766 1.00 0.10 H new ATOM 744 N GLU A 53 4.340 -2.411 10.910 1.00 0.10 N ATOM 745 CA GLU A 53 3.967 -1.059 11.309 1.00 0.10 C ATOM 746 C GLU A 53 5.203 -0.204 11.566 1.00 0.11 C ATOM 747 O GLU A 53 6.282 -0.722 11.851 1.00 0.12 O ATOM 748 CB GLU A 53 3.091 -1.101 12.561 1.00 0.12 C ATOM 749 CG GLU A 53 3.653 -1.977 13.669 1.00 0.15 C ATOM 750 CD GLU A 53 3.101 -1.616 15.034 1.00 0.64 C ATOM 751 OE1 GLU A 53 1.908 -1.258 15.117 1.00 1.26 O ATOM 752 OE2 GLU A 53 3.863 -1.691 16.021 1.00 1.49 O ATOM 0 H GLU A 53 5.345 -2.582 10.884 1.00 0.10 H new ATOM 0 HA GLU A 53 3.403 -0.608 10.492 1.00 0.10 H new ATOM 0 HB2 GLU A 53 2.965 -0.087 12.940 1.00 0.12 H new ATOM 0 HB3 GLU A 53 2.100 -1.465 12.289 1.00 0.12 H new ATOM 0 HG2 GLU A 53 3.425 -3.021 13.453 1.00 0.15 H new ATOM 0 HG3 GLU A 53 4.739 -1.885 13.684 1.00 0.15 H new ATOM 759 N ASN A 54 5.035 1.111 11.462 1.00 0.11 N ATOM 760 CA ASN A 54 6.133 2.045 11.682 1.00 0.12 C ATOM 761 C ASN A 54 7.221 1.869 10.627 1.00 0.11 C ATOM 762 O ASN A 54 8.394 2.144 10.881 1.00 0.12 O ATOM 763 CB ASN A 54 6.726 1.852 13.078 1.00 0.15 C ATOM 764 CG ASN A 54 5.676 1.939 14.169 1.00 0.30 C ATOM 765 OD1 ASN A 54 5.108 0.796 14.536 1.00 1.05 O flip ATOM 766 ND2 ASN A 54 5.379 3.021 14.676 1.00 0.64 N flip ATOM 0 H ASN A 54 4.147 1.554 11.226 1.00 0.11 H new ATOM 0 HA ASN A 54 5.734 3.056 11.601 1.00 0.12 H new ATOM 0 HB2 ASN A 54 7.220 0.882 13.129 1.00 0.15 H new ATOM 0 HB3 ASN A 54 7.491 2.608 13.253 1.00 0.15 H new ATOM 0 HD21 ASN A 54 5.841 3.875 14.363 1.00 0.64 H new ATOM 0 HD22 ASN A 54 4.671 3.064 15.409 1.00 0.64 H new ATOM 773 N PHE A 55 6.826 1.411 9.443 1.00 0.10 N ATOM 774 CA PHE A 55 7.772 1.202 8.352 1.00 0.09 C ATOM 775 C PHE A 55 8.475 2.507 7.987 1.00 0.09 C ATOM 776 O PHE A 55 9.676 2.525 7.721 1.00 0.12 O ATOM 777 CB PHE A 55 7.052 0.627 7.128 1.00 0.09 C ATOM 778 CG PHE A 55 6.227 1.635 6.377 1.00 0.09 C ATOM 779 CD1 PHE A 55 4.976 2.009 6.838 1.00 1.17 C ATOM 780 CD2 PHE A 55 6.707 2.208 5.210 1.00 1.20 C ATOM 781 CE1 PHE A 55 4.217 2.937 6.148 1.00 1.17 C ATOM 782 CE2 PHE A 55 5.953 3.136 4.516 1.00 1.21 C ATOM 783 CZ PHE A 55 4.707 3.500 4.986 1.00 0.10 C ATOM 0 H PHE A 55 5.860 1.178 9.215 1.00 0.10 H new ATOM 0 HA PHE A 55 8.526 0.488 8.685 1.00 0.09 H new ATOM 0 HB2 PHE A 55 7.792 0.201 6.451 1.00 0.09 H new ATOM 0 HB3 PHE A 55 6.406 -0.190 7.449 1.00 0.09 H new ATOM 0 HD1 PHE A 55 4.589 1.571 7.746 1.00 1.17 H new ATOM 0 HD2 PHE A 55 7.681 1.926 4.838 1.00 1.20 H new ATOM 0 HE1 PHE A 55 3.243 3.221 6.517 1.00 1.17 H new ATOM 0 HE2 PHE A 55 6.338 3.575 3.608 1.00 1.21 H new ATOM 0 HZ PHE A 55 4.116 4.224 4.445 1.00 0.10 H new ATOM 793 N SER A 56 7.714 3.598 7.977 1.00 0.09 N ATOM 794 CA SER A 56 8.259 4.909 7.645 1.00 0.11 C ATOM 795 C SER A 56 9.210 5.400 8.734 1.00 0.12 C ATOM 796 O SER A 56 10.087 6.225 8.478 1.00 0.14 O ATOM 797 CB SER A 56 7.127 5.919 7.450 1.00 0.14 C ATOM 798 OG SER A 56 7.625 7.246 7.428 1.00 0.21 O ATOM 0 H SER A 56 6.718 3.599 8.195 1.00 0.09 H new ATOM 0 HA SER A 56 8.820 4.814 6.715 1.00 0.11 H new ATOM 0 HB2 SER A 56 6.604 5.708 6.517 1.00 0.14 H new ATOM 0 HB3 SER A 56 6.399 5.814 8.254 1.00 0.14 H new ATOM 0 HG SER A 56 6.882 7.872 7.301 1.00 0.21 H new ATOM 804 N GLY A 57 9.031 4.888 9.949 1.00 0.15 N ATOM 805 CA GLY A 57 9.882 5.288 11.057 1.00 0.19 C ATOM 806 C GLY A 57 11.359 5.178 10.729 1.00 0.17 C ATOM 807 O GLY A 57 12.185 5.883 11.311 1.00 0.23 O ATOM 0 H GLY A 57 8.313 4.204 10.186 1.00 0.15 H new ATOM 0 HA2 GLY A 57 9.651 6.316 11.334 1.00 0.19 H new ATOM 0 HA3 GLY A 57 9.659 4.666 11.924 1.00 0.19 H new ATOM 811 N SER A 58 11.692 4.293 9.795 1.00 0.18 N ATOM 812 CA SER A 58 13.079 4.095 9.390 1.00 0.23 C ATOM 813 C SER A 58 13.216 4.154 7.872 1.00 0.20 C ATOM 814 O SER A 58 14.105 3.527 7.295 1.00 0.26 O ATOM 815 CB SER A 58 13.597 2.753 9.910 1.00 0.33 C ATOM 816 OG SER A 58 12.827 2.299 11.009 1.00 1.23 O ATOM 0 H SER A 58 11.021 3.702 9.305 1.00 0.18 H new ATOM 0 HA SER A 58 13.676 4.898 9.821 1.00 0.23 H new ATOM 0 HB2 SER A 58 13.566 2.013 9.110 1.00 0.33 H new ATOM 0 HB3 SER A 58 14.640 2.854 10.210 1.00 0.33 H new ATOM 0 HG SER A 58 13.178 1.439 11.321 1.00 1.23 H new ATOM 822 N ALA A 59 12.331 4.911 7.230 1.00 0.14 N ATOM 823 CA ALA A 59 12.355 5.052 5.779 1.00 0.15 C ATOM 824 C ALA A 59 12.434 6.519 5.372 1.00 0.17 C ATOM 825 O ALA A 59 12.275 7.413 6.203 1.00 0.22 O ATOM 826 CB ALA A 59 11.126 4.397 5.166 1.00 0.14 C ATOM 0 H ALA A 59 11.589 5.436 7.692 1.00 0.14 H new ATOM 0 HA ALA A 59 13.247 4.550 5.403 1.00 0.15 H new ATOM 0 HB1 ALA A 59 11.156 4.509 4.082 1.00 0.14 H new ATOM 0 HB2 ALA A 59 11.113 3.337 5.421 1.00 0.14 H new ATOM 0 HB3 ALA A 59 10.227 4.875 5.555 1.00 0.14 H new ATOM 832 N SER A 60 12.681 6.760 4.089 1.00 0.17 N ATOM 833 CA SER A 60 12.781 8.120 3.573 1.00 0.21 C ATOM 834 C SER A 60 12.096 8.240 2.216 1.00 0.21 C ATOM 835 O SER A 60 12.038 7.276 1.453 1.00 0.20 O ATOM 836 CB SER A 60 14.248 8.537 3.456 1.00 0.27 C ATOM 837 OG SER A 60 14.840 8.686 4.735 1.00 1.08 O ATOM 0 H SER A 60 12.816 6.032 3.388 1.00 0.17 H new ATOM 0 HA SER A 60 12.276 8.785 4.274 1.00 0.21 H new ATOM 0 HB2 SER A 60 14.797 7.790 2.883 1.00 0.27 H new ATOM 0 HB3 SER A 60 14.320 9.476 2.907 1.00 0.27 H new ATOM 0 HG SER A 60 15.778 8.951 4.632 1.00 1.08 H new ATOM 843 N ASN A 61 11.582 9.435 1.923 1.00 0.23 N ATOM 844 CA ASN A 61 10.896 9.705 0.657 1.00 0.24 C ATOM 845 C ASN A 61 10.021 8.529 0.227 1.00 0.20 C ATOM 846 O ASN A 61 10.259 7.909 -0.810 1.00 0.22 O ATOM 847 CB ASN A 61 11.910 10.035 -0.444 1.00 0.29 C ATOM 848 CG ASN A 61 13.133 9.139 -0.403 1.00 0.32 C ATOM 849 OD1 ASN A 61 14.207 9.555 0.032 1.00 0.38 O ATOM 850 ND2 ASN A 61 12.975 7.902 -0.858 1.00 0.33 N ATOM 0 H ASN A 61 11.628 10.238 2.550 1.00 0.23 H new ATOM 0 HA ASN A 61 10.247 10.566 0.815 1.00 0.24 H new ATOM 0 HB2 ASN A 61 11.427 9.940 -1.417 1.00 0.29 H new ATOM 0 HB3 ASN A 61 12.223 11.074 -0.344 1.00 0.29 H new ATOM 0 HD21 ASN A 61 13.762 7.253 -0.856 1.00 0.33 H new ATOM 0 HD22 ASN A 61 12.066 7.600 -1.209 1.00 0.33 H new ATOM 857 N ILE A 62 9.006 8.229 1.031 1.00 0.15 N ATOM 858 CA ILE A 62 8.094 7.130 0.734 1.00 0.12 C ATOM 859 C ILE A 62 6.952 7.597 -0.162 1.00 0.14 C ATOM 860 O ILE A 62 6.153 8.449 0.228 1.00 0.18 O ATOM 861 CB ILE A 62 7.505 6.518 2.021 1.00 0.12 C ATOM 862 CG1 ILE A 62 8.586 6.383 3.096 1.00 0.14 C ATOM 863 CG2 ILE A 62 6.875 5.166 1.724 1.00 0.14 C ATOM 864 CD1 ILE A 62 8.061 5.874 4.420 1.00 0.15 C ATOM 0 H ILE A 62 8.794 8.731 1.893 1.00 0.15 H new ATOM 0 HA ILE A 62 8.676 6.368 0.216 1.00 0.12 H new ATOM 0 HB ILE A 62 6.730 7.185 2.398 1.00 0.12 H new ATOM 0 HG12 ILE A 62 9.361 5.706 2.737 1.00 0.14 H new ATOM 0 HG13 ILE A 62 9.057 7.354 3.250 1.00 0.14 H new ATOM 0 HG21 ILE A 62 6.464 4.747 2.642 1.00 0.14 H new ATOM 0 HG22 ILE A 62 6.077 5.289 0.992 1.00 0.14 H new ATOM 0 HG23 ILE A 62 7.632 4.492 1.325 1.00 0.14 H new ATOM 0 HD11 ILE A 62 8.882 5.803 5.134 1.00 0.15 H new ATOM 0 HD12 ILE A 62 7.307 6.562 4.801 1.00 0.15 H new ATOM 0 HD13 ILE A 62 7.616 4.889 4.280 1.00 0.15 H new ATOM 876 N THR A 63 6.880 7.037 -1.366 1.00 0.13 N ATOM 877 CA THR A 63 5.835 7.402 -2.316 1.00 0.15 C ATOM 878 C THR A 63 5.336 6.179 -3.079 1.00 0.14 C ATOM 879 O THR A 63 6.019 5.158 -3.150 1.00 0.13 O ATOM 880 CB THR A 63 6.355 8.453 -3.298 1.00 0.17 C ATOM 881 OG1 THR A 63 7.751 8.308 -3.494 1.00 0.17 O ATOM 882 CG2 THR A 63 6.100 9.874 -2.845 1.00 0.21 C ATOM 0 H THR A 63 7.532 6.330 -1.706 1.00 0.13 H new ATOM 0 HA THR A 63 5.000 7.820 -1.754 1.00 0.15 H new ATOM 0 HB THR A 63 5.806 8.281 -4.224 1.00 0.17 H new ATOM 0 HG1 THR A 63 8.065 8.988 -4.126 1.00 0.17 H new ATOM 0 HG21 THR A 63 6.494 10.569 -3.587 1.00 0.21 H new ATOM 0 HG22 THR A 63 5.028 10.033 -2.732 1.00 0.21 H new ATOM 0 HG23 THR A 63 6.595 10.045 -1.889 1.00 0.21 H new ATOM 890 N LEU A 64 4.140 6.291 -3.648 1.00 0.16 N ATOM 891 CA LEU A 64 3.546 5.196 -4.406 1.00 0.17 C ATOM 892 C LEU A 64 3.545 5.505 -5.900 1.00 0.19 C ATOM 893 O LEU A 64 3.106 6.575 -6.323 1.00 0.23 O ATOM 894 CB LEU A 64 2.117 4.933 -3.928 1.00 0.20 C ATOM 895 CG LEU A 64 1.446 3.703 -4.540 1.00 0.23 C ATOM 896 CD1 LEU A 64 1.803 2.454 -3.751 1.00 0.33 C ATOM 897 CD2 LEU A 64 -0.063 3.891 -4.592 1.00 0.31 C ATOM 0 H LEU A 64 3.563 7.130 -3.598 1.00 0.16 H new ATOM 0 HA LEU A 64 4.149 4.303 -4.238 1.00 0.17 H new ATOM 0 HB2 LEU A 64 2.128 4.821 -2.844 1.00 0.20 H new ATOM 0 HB3 LEU A 64 1.508 5.809 -4.152 1.00 0.20 H new ATOM 0 HG LEU A 64 1.812 3.581 -5.559 1.00 0.23 H new ATOM 0 HD11 LEU A 64 1.317 1.588 -4.201 1.00 0.33 H new ATOM 0 HD12 LEU A 64 2.884 2.311 -3.765 1.00 0.33 H new ATOM 0 HD13 LEU A 64 1.465 2.565 -2.721 1.00 0.33 H new ATOM 0 HD21 LEU A 64 -0.525 3.006 -5.030 1.00 0.31 H new ATOM 0 HD22 LEU A 64 -0.446 4.038 -3.582 1.00 0.31 H new ATOM 0 HD23 LEU A 64 -0.300 4.764 -5.201 1.00 0.31 H new ATOM 909 N ASP A 65 4.041 4.562 -6.695 1.00 0.17 N ATOM 910 CA ASP A 65 4.098 4.733 -8.143 1.00 0.20 C ATOM 911 C ASP A 65 3.472 3.540 -8.858 1.00 0.19 C ATOM 912 O ASP A 65 3.441 2.431 -8.325 1.00 0.17 O ATOM 913 CB ASP A 65 5.547 4.913 -8.599 1.00 0.24 C ATOM 914 CG ASP A 65 5.962 6.371 -8.643 1.00 0.58 C ATOM 915 OD1 ASP A 65 5.305 7.196 -7.976 1.00 1.27 O ATOM 916 OD2 ASP A 65 6.945 6.687 -9.347 1.00 1.38 O ATOM 0 H ASP A 65 4.409 3.671 -6.361 1.00 0.17 H new ATOM 0 HA ASP A 65 3.529 5.626 -8.401 1.00 0.20 H new ATOM 0 HB2 ASP A 65 6.208 4.370 -7.923 1.00 0.24 H new ATOM 0 HB3 ASP A 65 5.671 4.473 -9.588 1.00 0.24 H new ATOM 921 N ILE A 66 2.978 3.775 -10.070 1.00 0.22 N ATOM 922 CA ILE A 66 2.356 2.723 -10.860 1.00 0.22 C ATOM 923 C ILE A 66 3.411 1.936 -11.636 1.00 0.23 C ATOM 924 O ILE A 66 4.355 2.511 -12.178 1.00 0.27 O ATOM 925 CB ILE A 66 1.311 3.310 -11.839 1.00 0.26 C ATOM 926 CG1 ILE A 66 -0.008 3.571 -11.108 1.00 0.27 C ATOM 927 CG2 ILE A 66 1.089 2.386 -13.030 1.00 0.27 C ATOM 928 CD1 ILE A 66 -0.777 2.310 -10.769 1.00 0.26 C ATOM 0 H ILE A 66 2.998 4.688 -10.525 1.00 0.22 H new ATOM 0 HA ILE A 66 1.847 2.048 -10.173 1.00 0.22 H new ATOM 0 HB ILE A 66 1.696 4.256 -12.220 1.00 0.26 H new ATOM 0 HG12 ILE A 66 0.199 4.118 -10.188 1.00 0.27 H new ATOM 0 HG13 ILE A 66 -0.635 4.213 -11.727 1.00 0.27 H new ATOM 0 HG21 ILE A 66 0.350 2.826 -13.699 1.00 0.27 H new ATOM 0 HG22 ILE A 66 2.029 2.251 -13.566 1.00 0.27 H new ATOM 0 HG23 ILE A 66 0.730 1.419 -12.678 1.00 0.27 H new ATOM 0 HD11 ILE A 66 -1.700 2.574 -10.253 1.00 0.26 H new ATOM 0 HD12 ILE A 66 -1.016 1.772 -11.686 1.00 0.26 H new ATOM 0 HD13 ILE A 66 -0.169 1.675 -10.124 1.00 0.26 H new ATOM 940 N GLU A 67 3.241 0.619 -11.683 1.00 0.22 N ATOM 941 CA GLU A 67 4.176 -0.247 -12.391 1.00 0.25 C ATOM 942 C GLU A 67 3.442 -1.396 -13.074 1.00 0.24 C ATOM 943 O GLU A 67 2.640 -2.091 -12.451 1.00 0.26 O ATOM 944 CB GLU A 67 5.226 -0.799 -11.424 1.00 0.29 C ATOM 945 CG GLU A 67 6.619 -0.889 -12.026 1.00 0.64 C ATOM 946 CD GLU A 67 6.990 -2.304 -12.424 1.00 1.16 C ATOM 947 OE1 GLU A 67 6.527 -2.763 -13.489 1.00 1.83 O ATOM 948 OE2 GLU A 67 7.745 -2.954 -11.670 1.00 1.93 O ATOM 0 H GLU A 67 2.465 0.128 -11.239 1.00 0.22 H new ATOM 0 HA GLU A 67 4.675 0.347 -13.156 1.00 0.25 H new ATOM 0 HB2 GLU A 67 5.262 -0.164 -10.539 1.00 0.29 H new ATOM 0 HB3 GLU A 67 4.917 -1.791 -11.093 1.00 0.29 H new ATOM 0 HG2 GLU A 67 6.675 -0.242 -12.902 1.00 0.64 H new ATOM 0 HG3 GLU A 67 7.347 -0.515 -11.306 1.00 0.64 H new ATOM 955 N GLY A 68 3.722 -1.589 -14.359 1.00 0.33 N ATOM 956 CA GLY A 68 3.080 -2.655 -15.105 1.00 0.33 C ATOM 957 C GLY A 68 1.995 -2.142 -16.031 1.00 0.35 C ATOM 958 O GLY A 68 1.535 -1.009 -15.893 1.00 0.40 O ATOM 0 H GLY A 68 4.382 -1.026 -14.896 1.00 0.33 H new ATOM 0 HA2 GLY A 68 3.830 -3.188 -15.689 1.00 0.33 H new ATOM 0 HA3 GLY A 68 2.649 -3.374 -14.408 1.00 0.33 H new ATOM 962 N ASP A 69 1.585 -2.980 -16.978 1.00 0.35 N ATOM 963 CA ASP A 69 0.547 -2.607 -17.933 1.00 0.38 C ATOM 964 C ASP A 69 -0.841 -2.679 -17.298 1.00 0.36 C ATOM 965 O ASP A 69 -1.808 -2.144 -17.842 1.00 0.39 O ATOM 966 CB ASP A 69 0.605 -3.519 -19.160 1.00 0.45 C ATOM 967 CG ASP A 69 0.288 -2.780 -20.445 1.00 0.97 C ATOM 968 OD1 ASP A 69 0.957 -1.763 -20.725 1.00 1.67 O ATOM 969 OD2 ASP A 69 -0.630 -3.217 -21.170 1.00 1.65 O ATOM 0 H ASP A 69 1.956 -3.922 -17.105 1.00 0.35 H new ATOM 0 HA ASP A 69 0.729 -1.577 -18.240 1.00 0.38 H new ATOM 0 HB2 ASP A 69 1.599 -3.961 -19.234 1.00 0.45 H new ATOM 0 HB3 ASP A 69 -0.101 -4.340 -19.033 1.00 0.45 H new ATOM 974 N ASP A 70 -0.937 -3.342 -16.149 1.00 0.33 N ATOM 975 CA ASP A 70 -2.211 -3.479 -15.451 1.00 0.32 C ATOM 976 C ASP A 70 -2.419 -2.348 -14.443 1.00 0.28 C ATOM 977 O ASP A 70 -3.475 -2.253 -13.818 1.00 0.29 O ATOM 978 CB ASP A 70 -2.279 -4.832 -14.738 1.00 0.33 C ATOM 979 CG ASP A 70 -3.212 -5.805 -15.431 1.00 0.46 C ATOM 980 OD1 ASP A 70 -3.234 -5.819 -16.680 1.00 1.21 O ATOM 981 OD2 ASP A 70 -3.922 -6.552 -14.725 1.00 1.17 O ATOM 0 H ASP A 70 -0.149 -3.792 -15.683 1.00 0.33 H new ATOM 0 HA ASP A 70 -3.007 -3.421 -16.194 1.00 0.32 H new ATOM 0 HB2 ASP A 70 -1.280 -5.264 -14.689 1.00 0.33 H new ATOM 0 HB3 ASP A 70 -2.613 -4.682 -13.711 1.00 0.33 H new ATOM 986 N ASN A 71 -1.409 -1.494 -14.284 1.00 0.26 N ATOM 987 CA ASN A 71 -1.493 -0.379 -13.348 1.00 0.24 C ATOM 988 C ASN A 71 -1.579 -0.886 -11.917 1.00 0.21 C ATOM 989 O ASN A 71 -2.652 -0.904 -11.315 1.00 0.22 O ATOM 990 CB ASN A 71 -2.703 0.501 -13.665 1.00 0.26 C ATOM 991 CG ASN A 71 -2.743 0.928 -15.119 1.00 0.29 C ATOM 992 OD1 ASN A 71 -3.426 0.146 -15.947 1.00 0.29 O flip ATOM 993 ND2 ASN A 71 -2.168 1.949 -15.494 1.00 0.35 N flip ATOM 0 H ASN A 71 -0.526 -1.554 -14.791 1.00 0.26 H new ATOM 0 HA ASN A 71 -0.588 0.220 -13.453 1.00 0.24 H new ATOM 0 HB2 ASN A 71 -3.617 -0.042 -13.424 1.00 0.26 H new ATOM 0 HB3 ASN A 71 -2.681 1.386 -13.030 1.00 0.26 H new ATOM 0 HD21 ASN A 71 -1.654 2.521 -14.823 1.00 0.35 H new ATOM 0 HD22 ASN A 71 -2.205 2.224 -16.476 1.00 0.35 H new ATOM 1000 N ILE A 72 -0.440 -1.301 -11.380 1.00 0.18 N ATOM 1001 CA ILE A 72 -0.381 -1.815 -10.020 1.00 0.15 C ATOM 1002 C ILE A 72 0.313 -0.824 -9.085 1.00 0.14 C ATOM 1003 O ILE A 72 1.491 -0.514 -9.265 1.00 0.18 O ATOM 1004 CB ILE A 72 0.358 -3.166 -9.959 1.00 0.14 C ATOM 1005 CG1 ILE A 72 0.131 -3.969 -11.243 1.00 0.16 C ATOM 1006 CG2 ILE A 72 -0.103 -3.957 -8.749 1.00 0.14 C ATOM 1007 CD1 ILE A 72 -1.313 -4.365 -11.461 1.00 0.17 C ATOM 0 H ILE A 72 0.456 -1.291 -11.867 1.00 0.18 H new ATOM 0 HA ILE A 72 -1.411 -1.959 -9.693 1.00 0.15 H new ATOM 0 HB ILE A 72 1.427 -2.972 -9.867 1.00 0.14 H new ATOM 0 HG12 ILE A 72 0.470 -3.380 -12.095 1.00 0.16 H new ATOM 0 HG13 ILE A 72 0.745 -4.869 -11.213 1.00 0.16 H new ATOM 0 HG21 ILE A 72 0.425 -4.910 -8.715 1.00 0.14 H new ATOM 0 HG22 ILE A 72 0.110 -3.391 -7.842 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -1.175 -4.139 -8.820 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -1.399 -4.931 -12.389 1.00 0.17 H new ATOM 0 HD12 ILE A 72 -1.651 -4.981 -10.628 1.00 0.17 H new ATOM 0 HD13 ILE A 72 -1.930 -3.469 -11.524 1.00 0.17 H new ATOM 1019 N PRO A 73 -0.407 -0.311 -8.069 1.00 0.14 N ATOM 1020 CA PRO A 73 0.154 0.647 -7.109 1.00 0.15 C ATOM 1021 C PRO A 73 1.307 0.054 -6.306 1.00 0.16 C ATOM 1022 O PRO A 73 1.093 -0.718 -5.371 1.00 0.21 O ATOM 1023 CB PRO A 73 -1.026 0.976 -6.187 1.00 0.20 C ATOM 1024 CG PRO A 73 -1.978 -0.157 -6.356 1.00 0.23 C ATOM 1025 CD PRO A 73 -1.817 -0.621 -7.774 1.00 0.21 C ATOM 0 HA PRO A 73 0.572 1.520 -7.609 1.00 0.15 H new ATOM 0 HB2 PRO A 73 -0.703 1.068 -5.150 1.00 0.20 H new ATOM 0 HB3 PRO A 73 -1.489 1.924 -6.462 1.00 0.20 H new ATOM 0 HG2 PRO A 73 -1.757 -0.961 -5.654 1.00 0.23 H new ATOM 0 HG3 PRO A 73 -3.002 0.161 -6.163 1.00 0.23 H new ATOM 0 HD2 PRO A 73 -2.025 -1.686 -7.876 1.00 0.21 H new ATOM 0 HD3 PRO A 73 -2.494 -0.098 -8.449 1.00 0.21 H new ATOM 1033 N VAL A 74 2.529 0.419 -6.678 1.00 0.15 N ATOM 1034 CA VAL A 74 3.717 -0.077 -5.994 1.00 0.20 C ATOM 1035 C VAL A 74 4.344 1.005 -5.121 1.00 0.17 C ATOM 1036 O VAL A 74 4.648 2.100 -5.595 1.00 0.21 O ATOM 1037 CB VAL A 74 4.771 -0.587 -6.994 1.00 0.24 C ATOM 1038 CG1 VAL A 74 5.910 -1.281 -6.264 1.00 0.84 C ATOM 1039 CG2 VAL A 74 4.133 -1.521 -8.012 1.00 0.99 C ATOM 0 H VAL A 74 2.723 1.057 -7.450 1.00 0.15 H new ATOM 0 HA VAL A 74 3.393 -0.906 -5.364 1.00 0.20 H new ATOM 0 HB VAL A 74 5.182 0.270 -7.528 1.00 0.24 H new ATOM 0 HG11 VAL A 74 6.644 -1.634 -6.988 1.00 0.84 H new ATOM 0 HG12 VAL A 74 6.385 -0.579 -5.579 1.00 0.84 H new ATOM 0 HG13 VAL A 74 5.519 -2.128 -5.701 1.00 0.84 H new ATOM 0 HG21 VAL A 74 4.893 -1.871 -8.711 1.00 0.99 H new ATOM 0 HG22 VAL A 74 3.692 -2.375 -7.497 1.00 0.99 H new ATOM 0 HG23 VAL A 74 3.356 -0.987 -8.559 1.00 0.99 H new ATOM 1049 N LEU A 75 4.535 0.691 -3.843 1.00 0.16 N ATOM 1050 CA LEU A 75 5.127 1.635 -2.902 1.00 0.14 C ATOM 1051 C LEU A 75 6.636 1.438 -2.814 1.00 0.12 C ATOM 1052 O LEU A 75 7.111 0.378 -2.406 1.00 0.13 O ATOM 1053 CB LEU A 75 4.495 1.471 -1.518 1.00 0.16 C ATOM 1054 CG LEU A 75 5.071 2.376 -0.427 1.00 0.15 C ATOM 1055 CD1 LEU A 75 5.072 3.829 -0.880 1.00 0.19 C ATOM 1056 CD2 LEU A 75 4.281 2.218 0.864 1.00 0.23 C ATOM 0 H LEU A 75 4.288 -0.211 -3.435 1.00 0.16 H new ATOM 0 HA LEU A 75 4.932 2.644 -3.264 1.00 0.14 H new ATOM 0 HB2 LEU A 75 3.425 1.663 -1.600 1.00 0.16 H new ATOM 0 HB3 LEU A 75 4.609 0.433 -1.205 1.00 0.16 H new ATOM 0 HG LEU A 75 6.102 2.077 -0.240 1.00 0.15 H new ATOM 0 HD11 LEU A 75 5.485 4.456 -0.090 1.00 0.19 H new ATOM 0 HD12 LEU A 75 5.680 3.929 -1.779 1.00 0.19 H new ATOM 0 HD13 LEU A 75 4.051 4.143 -1.096 1.00 0.19 H new ATOM 0 HD21 LEU A 75 4.703 2.868 1.631 1.00 0.23 H new ATOM 0 HD22 LEU A 75 3.240 2.491 0.689 1.00 0.23 H new ATOM 0 HD23 LEU A 75 4.333 1.182 1.198 1.00 0.23 H new ATOM 1068 N ARG A 76 7.385 2.464 -3.202 1.00 0.17 N ATOM 1069 CA ARG A 76 8.843 2.404 -3.171 1.00 0.17 C ATOM 1070 C ARG A 76 9.413 3.448 -2.216 1.00 0.17 C ATOM 1071 O ARG A 76 9.013 4.612 -2.242 1.00 0.21 O ATOM 1072 CB ARG A 76 9.412 2.617 -4.575 1.00 0.19 C ATOM 1073 CG ARG A 76 9.626 1.326 -5.348 1.00 0.20 C ATOM 1074 CD ARG A 76 9.724 1.581 -6.843 1.00 0.30 C ATOM 1075 NE ARG A 76 8.415 1.552 -7.491 1.00 0.65 N ATOM 1076 CZ ARG A 76 8.241 1.458 -8.807 1.00 1.17 C ATOM 1077 NH1 ARG A 76 9.289 1.385 -9.618 1.00 1.37 N ATOM 1078 NH2 ARG A 76 7.016 1.438 -9.314 1.00 1.65 N ATOM 0 H ARG A 76 7.007 3.348 -3.542 1.00 0.17 H new ATOM 0 HA ARG A 76 9.132 1.416 -2.813 1.00 0.17 H new ATOM 0 HB2 ARG A 76 8.736 3.260 -5.138 1.00 0.19 H new ATOM 0 HB3 ARG A 76 10.362 3.145 -4.496 1.00 0.19 H new ATOM 0 HG2 ARG A 76 10.537 0.840 -5.000 1.00 0.20 H new ATOM 0 HG3 ARG A 76 8.803 0.640 -5.148 1.00 0.20 H new ATOM 0 HD2 ARG A 76 10.192 2.550 -7.015 1.00 0.30 H new ATOM 0 HD3 ARG A 76 10.370 0.830 -7.297 1.00 0.30 H new ATOM 0 HE ARG A 76 7.586 1.607 -6.900 1.00 0.65 H new ATOM 0 HH11 ARG A 76 10.234 1.401 -9.233 1.00 1.37 H new ATOM 0 HH12 ARG A 76 9.150 1.313 -10.626 1.00 1.37 H new ATOM 0 HH21 ARG A 76 6.207 1.495 -8.695 1.00 1.65 H new ATOM 0 HH22 ARG A 76 6.883 1.366 -10.323 1.00 1.65 H new ATOM 1092 N ALA A 77 10.352 3.024 -1.376 1.00 0.15 N ATOM 1093 CA ALA A 77 10.979 3.923 -0.415 1.00 0.17 C ATOM 1094 C ALA A 77 12.237 3.300 0.181 1.00 0.15 C ATOM 1095 O ALA A 77 12.309 2.086 0.373 1.00 0.18 O ATOM 1096 CB ALA A 77 9.996 4.287 0.686 1.00 0.19 C ATOM 0 H ALA A 77 10.695 2.064 -1.342 1.00 0.15 H new ATOM 0 HA ALA A 77 11.270 4.832 -0.942 1.00 0.17 H new ATOM 0 HB1 ALA A 77 10.478 4.959 1.396 1.00 0.19 H new ATOM 0 HB2 ALA A 77 9.128 4.782 0.250 1.00 0.19 H new ATOM 0 HB3 ALA A 77 9.676 3.382 1.202 1.00 0.19 H new ATOM 1102 N GLU A 78 13.226 4.138 0.474 1.00 0.16 N ATOM 1103 CA GLU A 78 14.480 3.669 1.052 1.00 0.15 C ATOM 1104 C GLU A 78 14.292 3.286 2.516 1.00 0.14 C ATOM 1105 O GLU A 78 14.045 4.142 3.365 1.00 0.20 O ATOM 1106 CB GLU A 78 15.559 4.746 0.928 1.00 0.16 C ATOM 1107 CG GLU A 78 15.848 5.154 -0.507 1.00 0.77 C ATOM 1108 CD GLU A 78 17.145 5.929 -0.643 1.00 1.30 C ATOM 1109 OE1 GLU A 78 18.211 5.287 -0.748 1.00 1.66 O ATOM 1110 OE2 GLU A 78 17.094 7.177 -0.643 1.00 2.12 O ATOM 0 H GLU A 78 13.183 5.145 0.321 1.00 0.16 H new ATOM 0 HA GLU A 78 14.797 2.784 0.501 1.00 0.15 H new ATOM 0 HB2 GLU A 78 15.249 5.626 1.492 1.00 0.16 H new ATOM 0 HB3 GLU A 78 16.479 4.382 1.386 1.00 0.16 H new ATOM 0 HG2 GLU A 78 15.895 4.262 -1.132 1.00 0.77 H new ATOM 0 HG3 GLU A 78 15.025 5.762 -0.881 1.00 0.77 H new ATOM 1117 N LEU A 79 14.408 1.994 2.805 1.00 0.13 N ATOM 1118 CA LEU A 79 14.248 1.498 4.167 1.00 0.13 C ATOM 1119 C LEU A 79 15.602 1.303 4.842 1.00 0.14 C ATOM 1120 O LEU A 79 16.606 1.042 4.179 1.00 0.16 O ATOM 1121 CB LEU A 79 13.475 0.178 4.163 1.00 0.15 C ATOM 1122 CG LEU A 79 11.958 0.315 4.033 1.00 0.14 C ATOM 1123 CD1 LEU A 79 11.331 -1.021 3.666 1.00 0.14 C ATOM 1124 CD2 LEU A 79 11.360 0.850 5.326 1.00 0.16 C ATOM 0 H LEU A 79 14.612 1.272 2.114 1.00 0.13 H new ATOM 0 HA LEU A 79 13.686 2.242 4.732 1.00 0.13 H new ATOM 0 HB2 LEU A 79 13.840 -0.437 3.340 1.00 0.15 H new ATOM 0 HB3 LEU A 79 13.698 -0.358 5.085 1.00 0.15 H new ATOM 0 HG LEU A 79 11.743 1.025 3.235 1.00 0.14 H new ATOM 0 HD11 LEU A 79 10.251 -0.904 3.578 1.00 0.14 H new ATOM 0 HD12 LEU A 79 11.738 -1.365 2.715 1.00 0.14 H new ATOM 0 HD13 LEU A 79 11.554 -1.753 4.442 1.00 0.14 H new ATOM 0 HD21 LEU A 79 10.279 0.942 5.217 1.00 0.16 H new ATOM 0 HD22 LEU A 79 11.585 0.164 6.142 1.00 0.16 H new ATOM 0 HD23 LEU A 79 11.787 1.829 5.547 1.00 0.16 H new ATOM 1136 N ASN A 80 15.620 1.430 6.165 1.00 0.15 N ATOM 1137 CA ASN A 80 16.847 1.265 6.934 1.00 0.16 C ATOM 1138 C ASN A 80 16.886 -0.110 7.601 1.00 0.15 C ATOM 1139 O ASN A 80 16.143 -0.368 8.548 1.00 0.17 O ATOM 1140 CB ASN A 80 16.956 2.361 7.996 1.00 0.19 C ATOM 1141 CG ASN A 80 17.580 3.632 7.453 1.00 0.26 C ATOM 1142 OD1 ASN A 80 18.802 3.776 7.429 1.00 0.44 O ATOM 1143 ND2 ASN A 80 16.741 4.562 7.013 1.00 0.52 N ATOM 0 H ASN A 80 14.797 1.647 6.727 1.00 0.15 H new ATOM 0 HA ASN A 80 17.692 1.344 6.250 1.00 0.16 H new ATOM 0 HB2 ASN A 80 15.963 2.585 8.386 1.00 0.19 H new ATOM 0 HB3 ASN A 80 17.552 1.995 8.832 1.00 0.19 H new ATOM 0 HD21 ASN A 80 17.103 5.438 6.636 1.00 0.52 H new ATOM 0 HD22 ASN A 80 15.735 4.400 7.052 1.00 0.52 H new ATOM 1150 N PRO A 81 17.755 -1.015 7.116 1.00 0.16 N ATOM 1151 CA PRO A 81 17.880 -2.364 7.674 1.00 0.18 C ATOM 1152 C PRO A 81 18.614 -2.374 9.009 1.00 0.23 C ATOM 1153 O PRO A 81 19.228 -1.382 9.400 1.00 0.26 O ATOM 1154 CB PRO A 81 18.691 -3.107 6.613 1.00 0.21 C ATOM 1155 CG PRO A 81 19.520 -2.049 5.972 1.00 0.21 C ATOM 1156 CD PRO A 81 18.683 -0.799 5.988 1.00 0.17 C ATOM 0 HA PRO A 81 16.909 -2.812 7.882 1.00 0.18 H new ATOM 0 HB2 PRO A 81 19.313 -3.883 7.059 1.00 0.21 H new ATOM 0 HB3 PRO A 81 18.042 -3.597 5.887 1.00 0.21 H new ATOM 0 HG2 PRO A 81 20.453 -1.901 6.516 1.00 0.21 H new ATOM 0 HG3 PRO A 81 19.787 -2.327 4.952 1.00 0.21 H new ATOM 0 HD2 PRO A 81 19.295 0.091 6.137 1.00 0.17 H new ATOM 0 HD3 PRO A 81 18.147 -0.664 5.049 1.00 0.17 H new ATOM 1164 N MET A 82 18.547 -3.504 9.703 1.00 0.26 N ATOM 1165 CA MET A 82 19.207 -3.649 10.995 1.00 0.33 C ATOM 1166 C MET A 82 20.706 -3.879 10.822 1.00 0.37 C ATOM 1167 O MET A 82 21.491 -3.625 11.735 1.00 0.44 O ATOM 1168 CB MET A 82 18.589 -4.808 11.779 1.00 0.37 C ATOM 1169 CG MET A 82 18.512 -6.104 10.989 1.00 0.39 C ATOM 1170 SD MET A 82 18.416 -7.560 12.049 1.00 0.59 S ATOM 1171 CE MET A 82 18.790 -8.859 10.875 1.00 1.63 C ATOM 0 H MET A 82 18.042 -4.334 9.392 1.00 0.26 H new ATOM 0 HA MET A 82 19.064 -2.723 11.552 1.00 0.33 H new ATOM 0 HB2 MET A 82 19.174 -4.977 12.683 1.00 0.37 H new ATOM 0 HB3 MET A 82 17.585 -4.526 12.097 1.00 0.37 H new ATOM 0 HG2 MET A 82 17.639 -6.076 10.337 1.00 0.39 H new ATOM 0 HG3 MET A 82 19.388 -6.185 10.345 1.00 0.39 H new ATOM 0 HE1 MET A 82 18.769 -9.824 11.381 1.00 1.63 H new ATOM 0 HE2 MET A 82 18.048 -8.852 10.076 1.00 1.63 H new ATOM 0 HE3 MET A 82 19.781 -8.693 10.452 1.00 1.63 H new ATOM 1181 N ASP A 83 21.097 -4.361 9.645 1.00 0.36 N ATOM 1182 CA ASP A 83 22.503 -4.624 9.358 1.00 0.44 C ATOM 1183 C ASP A 83 23.260 -3.323 9.111 1.00 0.46 C ATOM 1184 O ASP A 83 24.387 -3.151 9.575 1.00 0.53 O ATOM 1185 CB ASP A 83 22.633 -5.542 8.140 1.00 0.48 C ATOM 1186 CG ASP A 83 22.616 -7.010 8.519 1.00 1.15 C ATOM 1187 OD1 ASP A 83 22.114 -7.334 9.615 1.00 1.84 O ATOM 1188 OD2 ASP A 83 23.105 -7.835 7.719 1.00 1.92 O ATOM 0 H ASP A 83 20.461 -4.577 8.877 1.00 0.36 H new ATOM 0 HA ASP A 83 22.939 -5.118 10.226 1.00 0.44 H new ATOM 0 HB2 ASP A 83 21.817 -5.339 7.447 1.00 0.48 H new ATOM 0 HB3 ASP A 83 23.561 -5.316 7.615 1.00 0.48 H new ATOM 1193 N GLY A 84 22.632 -2.410 8.377 1.00 0.47 N ATOM 1194 CA GLY A 84 23.262 -1.136 8.082 1.00 0.54 C ATOM 1195 C GLY A 84 23.061 -0.709 6.642 1.00 0.35 C ATOM 1196 O GLY A 84 22.810 -1.541 5.770 1.00 0.64 O ATOM 0 H GLY A 84 21.699 -2.529 7.982 1.00 0.47 H new ATOM 0 HA2 GLY A 84 22.856 -0.371 8.744 1.00 0.54 H new ATOM 0 HA3 GLY A 84 24.329 -1.205 8.292 1.00 0.54 H new ATOM 1200 N ASP A 85 23.172 0.591 6.391 1.00 0.41 N ATOM 1201 CA ASP A 85 23.001 1.130 5.047 1.00 0.34 C ATOM 1202 C ASP A 85 21.583 0.875 4.535 1.00 0.31 C ATOM 1203 O ASP A 85 21.189 -0.273 4.330 1.00 0.37 O ATOM 1204 CB ASP A 85 24.021 0.505 4.091 1.00 0.49 C ATOM 1205 CG ASP A 85 25.181 1.436 3.796 1.00 1.01 C ATOM 1206 OD1 ASP A 85 26.043 1.610 4.682 1.00 1.52 O ATOM 1207 OD2 ASP A 85 25.227 1.991 2.678 1.00 1.83 O ATOM 0 H ASP A 85 23.380 1.292 7.102 1.00 0.41 H new ATOM 0 HA ASP A 85 23.165 2.207 5.090 1.00 0.34 H new ATOM 0 HB2 ASP A 85 24.402 -0.420 4.524 1.00 0.49 H new ATOM 0 HB3 ASP A 85 23.525 0.239 3.157 1.00 0.49 H new ATOM 1212 N PRO A 86 20.793 1.944 4.320 1.00 0.27 N ATOM 1213 CA PRO A 86 19.416 1.818 3.829 1.00 0.25 C ATOM 1214 C PRO A 86 19.359 1.292 2.399 1.00 0.22 C ATOM 1215 O PRO A 86 20.202 1.632 1.569 1.00 0.32 O ATOM 1216 CB PRO A 86 18.876 3.249 3.895 1.00 0.31 C ATOM 1217 CG PRO A 86 20.085 4.116 3.835 1.00 0.54 C ATOM 1218 CD PRO A 86 21.174 3.352 4.534 1.00 0.34 C ATOM 0 HA PRO A 86 18.838 1.106 4.419 1.00 0.25 H new ATOM 0 HB2 PRO A 86 18.200 3.455 3.065 1.00 0.31 H new ATOM 0 HB3 PRO A 86 18.314 3.417 4.813 1.00 0.31 H new ATOM 0 HG2 PRO A 86 20.360 4.332 2.803 1.00 0.54 H new ATOM 0 HG3 PRO A 86 19.904 5.073 4.324 1.00 0.54 H new ATOM 0 HD2 PRO A 86 22.154 3.572 4.111 1.00 0.34 H new ATOM 0 HD3 PRO A 86 21.221 3.599 5.595 1.00 0.34 H new ATOM 1226 N VAL A 87 18.360 0.463 2.118 1.00 0.20 N ATOM 1227 CA VAL A 87 18.193 -0.109 0.787 1.00 0.21 C ATOM 1228 C VAL A 87 16.826 0.238 0.207 1.00 0.18 C ATOM 1229 O VAL A 87 15.836 0.323 0.933 1.00 0.20 O ATOM 1230 CB VAL A 87 18.357 -1.641 0.808 1.00 0.30 C ATOM 1231 CG1 VAL A 87 19.765 -2.021 1.240 1.00 1.29 C ATOM 1232 CG2 VAL A 87 17.320 -2.281 1.720 1.00 1.28 C ATOM 0 H VAL A 87 17.654 0.172 2.794 1.00 0.20 H new ATOM 0 HA VAL A 87 18.971 0.323 0.158 1.00 0.21 H new ATOM 0 HB VAL A 87 18.197 -2.017 -0.202 1.00 0.30 H new ATOM 0 HG11 VAL A 87 19.862 -3.107 1.249 1.00 1.29 H new ATOM 0 HG12 VAL A 87 20.487 -1.598 0.541 1.00 1.29 H new ATOM 0 HG13 VAL A 87 19.956 -1.631 2.240 1.00 1.29 H new ATOM 0 HG21 VAL A 87 17.454 -3.363 1.720 1.00 1.28 H new ATOM 0 HG22 VAL A 87 17.443 -1.900 2.734 1.00 1.28 H new ATOM 0 HG23 VAL A 87 16.320 -2.039 1.360 1.00 1.28 H new ATOM 1242 N GLU A 88 16.781 0.438 -1.106 1.00 0.19 N ATOM 1243 CA GLU A 88 15.535 0.777 -1.784 1.00 0.18 C ATOM 1244 C GLU A 88 14.542 -0.378 -1.706 1.00 0.16 C ATOM 1245 O GLU A 88 14.772 -1.447 -2.271 1.00 0.18 O ATOM 1246 CB GLU A 88 15.809 1.137 -3.247 1.00 0.25 C ATOM 1247 CG GLU A 88 15.440 2.569 -3.599 1.00 0.33 C ATOM 1248 CD GLU A 88 16.038 3.017 -4.918 1.00 0.86 C ATOM 1249 OE1 GLU A 88 17.048 2.419 -5.346 1.00 1.48 O ATOM 1250 OE2 GLU A 88 15.496 3.966 -5.524 1.00 1.57 O ATOM 0 H GLU A 88 17.592 0.371 -1.721 1.00 0.19 H new ATOM 0 HA GLU A 88 15.098 1.640 -1.282 1.00 0.18 H new ATOM 0 HB2 GLU A 88 16.867 0.980 -3.459 1.00 0.25 H new ATOM 0 HB3 GLU A 88 15.250 0.458 -3.891 1.00 0.25 H new ATOM 0 HG2 GLU A 88 14.355 2.660 -3.647 1.00 0.33 H new ATOM 0 HG3 GLU A 88 15.781 3.234 -2.805 1.00 0.33 H new ATOM 1257 N ALA A 89 13.436 -0.153 -1.005 1.00 0.13 N ATOM 1258 CA ALA A 89 12.407 -1.173 -0.856 1.00 0.11 C ATOM 1259 C ALA A 89 11.193 -0.852 -1.720 1.00 0.11 C ATOM 1260 O ALA A 89 10.829 0.312 -1.887 1.00 0.13 O ATOM 1261 CB ALA A 89 11.999 -1.302 0.604 1.00 0.11 C ATOM 0 H ALA A 89 13.230 0.727 -0.532 1.00 0.13 H new ATOM 0 HA ALA A 89 12.820 -2.125 -1.191 1.00 0.11 H new ATOM 0 HB1 ALA A 89 11.229 -2.068 0.700 1.00 0.11 H new ATOM 0 HB2 ALA A 89 12.867 -1.583 1.201 1.00 0.11 H new ATOM 0 HB3 ALA A 89 11.608 -0.348 0.958 1.00 0.11 H new ATOM 1267 N ASN A 90 10.571 -1.890 -2.269 1.00 0.10 N ATOM 1268 CA ASN A 90 9.398 -1.714 -3.117 1.00 0.11 C ATOM 1269 C ASN A 90 8.362 -2.801 -2.846 1.00 0.10 C ATOM 1270 O ASN A 90 8.650 -3.991 -2.967 1.00 0.12 O ATOM 1271 CB ASN A 90 9.803 -1.724 -4.596 1.00 0.14 C ATOM 1272 CG ASN A 90 10.128 -3.115 -5.111 1.00 0.15 C ATOM 1273 OD1 ASN A 90 9.458 -3.629 -6.007 1.00 0.16 O ATOM 1274 ND2 ASN A 90 11.159 -3.730 -4.546 1.00 0.15 N ATOM 0 H ASN A 90 10.859 -2.860 -2.142 1.00 0.10 H new ATOM 0 HA ASN A 90 8.950 -0.749 -2.881 1.00 0.11 H new ATOM 0 HB2 ASN A 90 8.994 -1.302 -5.192 1.00 0.14 H new ATOM 0 HB3 ASN A 90 10.671 -1.079 -4.734 1.00 0.14 H new ATOM 0 HD21 ASN A 90 11.424 -4.666 -4.851 1.00 0.15 H new ATOM 0 HD22 ASN A 90 11.687 -3.266 -3.806 1.00 0.15 H new ATOM 1281 N VAL A 91 7.154 -2.383 -2.481 1.00 0.10 N ATOM 1282 CA VAL A 91 6.079 -3.324 -2.196 1.00 0.10 C ATOM 1283 C VAL A 91 4.799 -2.936 -2.929 1.00 0.10 C ATOM 1284 O VAL A 91 4.398 -1.772 -2.926 1.00 0.13 O ATOM 1285 CB VAL A 91 5.788 -3.412 -0.685 1.00 0.10 C ATOM 1286 CG1 VAL A 91 5.284 -2.078 -0.153 1.00 0.11 C ATOM 1287 CG2 VAL A 91 4.787 -4.521 -0.398 1.00 0.12 C ATOM 0 H VAL A 91 6.896 -1.402 -2.376 1.00 0.10 H new ATOM 0 HA VAL A 91 6.415 -4.300 -2.548 1.00 0.10 H new ATOM 0 HB VAL A 91 6.719 -3.650 -0.171 1.00 0.10 H new ATOM 0 HG11 VAL A 91 5.085 -2.164 0.915 1.00 0.11 H new ATOM 0 HG12 VAL A 91 6.040 -1.310 -0.321 1.00 0.11 H new ATOM 0 HG13 VAL A 91 4.366 -1.803 -0.672 1.00 0.11 H new ATOM 0 HG21 VAL A 91 4.594 -4.568 0.674 1.00 0.12 H new ATOM 0 HG22 VAL A 91 3.856 -4.316 -0.926 1.00 0.12 H new ATOM 0 HG23 VAL A 91 5.193 -5.474 -0.736 1.00 0.12 H new ATOM 1297 N ASN A 92 4.162 -3.920 -3.551 1.00 0.10 N ATOM 1298 CA ASN A 92 2.927 -3.689 -4.284 1.00 0.11 C ATOM 1299 C ASN A 92 1.722 -3.847 -3.358 1.00 0.11 C ATOM 1300 O ASN A 92 1.393 -4.954 -2.938 1.00 0.12 O ATOM 1301 CB ASN A 92 2.839 -4.660 -5.470 1.00 0.12 C ATOM 1302 CG ASN A 92 1.414 -4.970 -5.892 1.00 0.15 C ATOM 1303 OD1 ASN A 92 0.521 -4.131 -5.776 1.00 0.23 O ATOM 1304 ND2 ASN A 92 1.198 -6.184 -6.385 1.00 0.16 N ATOM 0 H ASN A 92 4.483 -4.888 -3.561 1.00 0.10 H new ATOM 0 HA ASN A 92 2.924 -2.669 -4.669 1.00 0.11 H new ATOM 0 HB2 ASN A 92 3.377 -4.236 -6.318 1.00 0.12 H new ATOM 0 HB3 ASN A 92 3.342 -5.590 -5.206 1.00 0.12 H new ATOM 0 HD21 ASN A 92 0.261 -6.453 -6.686 1.00 0.16 H new ATOM 0 HD22 ASN A 92 1.969 -6.847 -6.463 1.00 0.16 H new ATOM 1311 N LEU A 93 1.068 -2.731 -3.043 1.00 0.10 N ATOM 1312 CA LEU A 93 -0.100 -2.750 -2.165 1.00 0.10 C ATOM 1313 C LEU A 93 -1.098 -3.814 -2.612 1.00 0.10 C ATOM 1314 O LEU A 93 -1.699 -4.504 -1.790 1.00 0.10 O ATOM 1315 CB LEU A 93 -0.776 -1.377 -2.149 1.00 0.11 C ATOM 1316 CG LEU A 93 0.134 -0.209 -1.766 1.00 0.24 C ATOM 1317 CD1 LEU A 93 -0.586 1.115 -1.971 1.00 1.14 C ATOM 1318 CD2 LEU A 93 0.599 -0.348 -0.325 1.00 0.72 C ATOM 0 H LEU A 93 1.326 -1.804 -3.382 1.00 0.10 H new ATOM 0 HA LEU A 93 0.238 -2.993 -1.158 1.00 0.10 H new ATOM 0 HB2 LEU A 93 -1.193 -1.183 -3.137 1.00 0.11 H new ATOM 0 HB3 LEU A 93 -1.612 -1.409 -1.451 1.00 0.11 H new ATOM 0 HG LEU A 93 1.011 -0.227 -2.413 1.00 0.24 H new ATOM 0 HD11 LEU A 93 0.076 1.936 -1.694 1.00 1.14 H new ATOM 0 HD12 LEU A 93 -0.870 1.216 -3.018 1.00 1.14 H new ATOM 0 HD13 LEU A 93 -1.480 1.143 -1.348 1.00 1.14 H new ATOM 0 HD21 LEU A 93 1.246 0.491 -0.069 1.00 0.72 H new ATOM 0 HD22 LEU A 93 -0.266 -0.355 0.338 1.00 0.72 H new ATOM 0 HD23 LEU A 93 1.152 -1.280 -0.209 1.00 0.72 H new ATOM 1330 N SER A 94 -1.259 -3.945 -3.924 1.00 0.11 N ATOM 1331 CA SER A 94 -2.174 -4.929 -4.494 1.00 0.11 C ATOM 1332 C SER A 94 -1.789 -6.351 -4.086 1.00 0.12 C ATOM 1333 O SER A 94 -2.565 -7.286 -4.264 1.00 0.12 O ATOM 1334 CB SER A 94 -2.191 -4.814 -6.019 1.00 0.13 C ATOM 1335 OG SER A 94 -2.112 -3.461 -6.429 1.00 1.08 O ATOM 0 H SER A 94 -0.766 -3.380 -4.616 1.00 0.11 H new ATOM 0 HA SER A 94 -3.170 -4.721 -4.104 1.00 0.11 H new ATOM 0 HB2 SER A 94 -1.355 -5.374 -6.438 1.00 0.13 H new ATOM 0 HB3 SER A 94 -3.104 -5.263 -6.411 1.00 0.13 H new ATOM 0 HG SER A 94 -1.189 -3.145 -6.337 1.00 1.08 H new ATOM 1341 N GLU A 95 -0.584 -6.514 -3.550 1.00 0.11 N ATOM 1342 CA GLU A 95 -0.109 -7.827 -3.133 1.00 0.12 C ATOM 1343 C GLU A 95 -1.018 -8.430 -2.067 1.00 0.11 C ATOM 1344 O GLU A 95 -1.395 -9.599 -2.151 1.00 0.12 O ATOM 1345 CB GLU A 95 1.317 -7.731 -2.594 1.00 0.12 C ATOM 1346 CG GLU A 95 2.371 -7.583 -3.679 1.00 0.14 C ATOM 1347 CD GLU A 95 3.428 -8.669 -3.621 1.00 0.19 C ATOM 1348 OE1 GLU A 95 4.208 -8.686 -2.646 1.00 1.11 O ATOM 1349 OE2 GLU A 95 3.475 -9.502 -4.550 1.00 1.10 O ATOM 0 H GLU A 95 0.079 -5.755 -3.395 1.00 0.11 H new ATOM 0 HA GLU A 95 -0.122 -8.477 -4.008 1.00 0.12 H new ATOM 0 HB2 GLU A 95 1.383 -6.880 -1.917 1.00 0.12 H new ATOM 0 HB3 GLU A 95 1.535 -8.623 -2.007 1.00 0.12 H new ATOM 0 HG2 GLU A 95 1.887 -7.605 -4.655 1.00 0.14 H new ATOM 0 HG3 GLU A 95 2.851 -6.609 -3.583 1.00 0.14 H new ATOM 1356 N ARG A 96 -1.355 -7.634 -1.056 1.00 0.09 N ATOM 1357 CA ARG A 96 -2.207 -8.106 0.030 1.00 0.09 C ATOM 1358 C ARG A 96 -3.199 -7.035 0.468 1.00 0.08 C ATOM 1359 O ARG A 96 -3.462 -6.872 1.660 1.00 0.08 O ATOM 1360 CB ARG A 96 -1.348 -8.531 1.222 1.00 0.08 C ATOM 1361 CG ARG A 96 -0.432 -9.706 0.924 1.00 0.10 C ATOM 1362 CD ARG A 96 -0.992 -11.002 1.485 1.00 0.11 C ATOM 1363 NE ARG A 96 -0.533 -11.250 2.849 1.00 0.14 N ATOM 1364 CZ ARG A 96 -0.866 -12.324 3.561 1.00 0.28 C ATOM 1365 NH1 ARG A 96 -1.659 -13.253 3.041 1.00 0.39 N ATOM 1366 NH2 ARG A 96 -0.404 -12.471 4.795 1.00 0.33 N ATOM 0 H ARG A 96 -1.053 -6.664 -0.967 1.00 0.09 H new ATOM 0 HA ARG A 96 -2.773 -8.962 -0.338 1.00 0.09 H new ATOM 0 HB2 ARG A 96 -0.744 -7.683 1.544 1.00 0.08 H new ATOM 0 HB3 ARG A 96 -2.001 -8.792 2.055 1.00 0.08 H new ATOM 0 HG2 ARG A 96 -0.299 -9.802 -0.154 1.00 0.10 H new ATOM 0 HG3 ARG A 96 0.553 -9.519 1.351 1.00 0.10 H new ATOM 0 HD2 ARG A 96 -2.081 -10.963 1.470 1.00 0.11 H new ATOM 0 HD3 ARG A 96 -0.694 -11.833 0.845 1.00 0.11 H new ATOM 0 HE ARG A 96 0.079 -10.559 3.282 1.00 0.14 H new ATOM 0 HH11 ARG A 96 -2.016 -13.146 2.092 1.00 0.39 H new ATOM 0 HH12 ARG A 96 -1.911 -14.074 3.591 1.00 0.39 H new ATOM 0 HH21 ARG A 96 0.207 -11.761 5.199 1.00 0.33 H new ATOM 0 HH22 ARG A 96 -0.659 -13.294 5.340 1.00 0.33 H new ATOM 1380 N ILE A 97 -3.758 -6.312 -0.496 1.00 0.08 N ATOM 1381 CA ILE A 97 -4.729 -5.270 -0.191 1.00 0.08 C ATOM 1382 C ILE A 97 -6.025 -5.508 -0.957 1.00 0.08 C ATOM 1383 O ILE A 97 -6.040 -5.497 -2.185 1.00 0.08 O ATOM 1384 CB ILE A 97 -4.169 -3.872 -0.535 1.00 0.08 C ATOM 1385 CG1 ILE A 97 -2.999 -3.532 0.391 1.00 0.08 C ATOM 1386 CG2 ILE A 97 -5.256 -2.809 -0.433 1.00 0.09 C ATOM 1387 CD1 ILE A 97 -3.406 -3.341 1.837 1.00 0.10 C ATOM 0 H ILE A 97 -3.557 -6.428 -1.489 1.00 0.08 H new ATOM 0 HA ILE A 97 -4.934 -5.308 0.879 1.00 0.08 H new ATOM 0 HB ILE A 97 -3.811 -3.889 -1.564 1.00 0.08 H new ATOM 0 HG12 ILE A 97 -2.257 -4.329 0.333 1.00 0.08 H new ATOM 0 HG13 ILE A 97 -2.517 -2.622 0.035 1.00 0.08 H new ATOM 0 HG21 ILE A 97 -4.836 -1.834 -0.680 1.00 0.09 H new ATOM 0 HG22 ILE A 97 -6.061 -3.044 -1.129 1.00 0.09 H new ATOM 0 HG23 ILE A 97 -5.650 -2.787 0.583 1.00 0.09 H new ATOM 0 HD11 ILE A 97 -2.526 -3.103 2.434 1.00 0.10 H new ATOM 0 HD12 ILE A 97 -4.125 -2.525 1.908 1.00 0.10 H new ATOM 0 HD13 ILE A 97 -3.861 -4.258 2.211 1.00 0.10 H new ATOM 1399 N GLY A 98 -7.111 -5.718 -0.225 1.00 0.08 N ATOM 1400 CA GLY A 98 -8.392 -5.960 -0.860 1.00 0.08 C ATOM 1401 C GLY A 98 -9.431 -4.914 -0.509 1.00 0.08 C ATOM 1402 O GLY A 98 -9.140 -3.954 0.205 1.00 0.09 O ATOM 0 H GLY A 98 -7.128 -5.725 0.795 1.00 0.08 H new ATOM 0 HA2 GLY A 98 -8.257 -5.982 -1.941 1.00 0.08 H new ATOM 0 HA3 GLY A 98 -8.759 -6.943 -0.564 1.00 0.08 H new ATOM 1406 N ASN A 99 -10.648 -5.104 -1.009 1.00 0.09 N ATOM 1407 CA ASN A 99 -11.740 -4.176 -0.744 1.00 0.10 C ATOM 1408 C ASN A 99 -13.018 -4.931 -0.394 1.00 0.12 C ATOM 1409 O ASN A 99 -13.679 -5.492 -1.268 1.00 0.14 O ATOM 1410 CB ASN A 99 -11.981 -3.278 -1.959 1.00 0.10 C ATOM 1411 CG ASN A 99 -12.263 -4.072 -3.219 1.00 0.12 C ATOM 1412 OD1 ASN A 99 -11.449 -4.892 -3.645 1.00 0.13 O ATOM 1413 ND2 ASN A 99 -13.421 -3.833 -3.823 1.00 0.16 N ATOM 0 H ASN A 99 -10.902 -5.895 -1.601 1.00 0.09 H new ATOM 0 HA ASN A 99 -11.459 -3.555 0.107 1.00 0.10 H new ATOM 0 HB2 ASN A 99 -12.821 -2.614 -1.756 1.00 0.10 H new ATOM 0 HB3 ASN A 99 -11.107 -2.646 -2.119 1.00 0.10 H new ATOM 0 HD21 ASN A 99 -13.666 -4.338 -4.675 1.00 0.16 H new ATOM 0 HD22 ASN A 99 -14.066 -3.145 -3.435 1.00 0.16 H new ATOM 1420 N ASP A 100 -13.360 -4.944 0.891 1.00 0.13 N ATOM 1421 CA ASP A 100 -14.558 -5.634 1.356 1.00 0.16 C ATOM 1422 C ASP A 100 -15.744 -4.679 1.430 1.00 0.17 C ATOM 1423 O ASP A 100 -15.733 -3.716 2.197 1.00 0.17 O ATOM 1424 CB ASP A 100 -14.308 -6.262 2.729 1.00 0.19 C ATOM 1425 CG ASP A 100 -15.433 -7.185 3.155 1.00 0.25 C ATOM 1426 OD1 ASP A 100 -16.610 -6.820 2.952 1.00 1.07 O ATOM 1427 OD2 ASP A 100 -15.136 -8.273 3.692 1.00 1.17 O ATOM 0 H ASP A 100 -12.825 -4.485 1.628 1.00 0.13 H new ATOM 0 HA ASP A 100 -14.794 -6.421 0.640 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -13.372 -6.821 2.705 1.00 0.19 H new ATOM 0 HB3 ASP A 100 -14.189 -5.472 3.471 1.00 0.19 H new ATOM 1432 N CYS A 101 -16.768 -4.953 0.627 1.00 0.18 N ATOM 1433 CA CYS A 101 -17.966 -4.119 0.599 1.00 0.19 C ATOM 1434 C CYS A 101 -17.610 -2.660 0.328 1.00 0.17 C ATOM 1435 O CYS A 101 -18.296 -1.747 0.787 1.00 0.18 O ATOM 1436 CB CYS A 101 -18.722 -4.232 1.924 1.00 0.22 C ATOM 1437 SG CYS A 101 -20.374 -3.499 1.897 1.00 0.29 S ATOM 0 H CYS A 101 -16.792 -5.747 -0.013 1.00 0.18 H new ATOM 0 HA CYS A 101 -18.605 -4.474 -0.209 1.00 0.19 H new ATOM 0 HB2 CYS A 101 -18.808 -5.285 2.192 1.00 0.22 H new ATOM 0 HB3 CYS A 101 -18.136 -3.751 2.707 1.00 0.22 H new ATOM 0 HG CYS A 101 -20.312 -2.308 1.379 1.00 0.29 H new ATOM 1443 N GLY A 102 -16.532 -2.450 -0.420 1.00 0.15 N ATOM 1444 CA GLY A 102 -16.102 -1.101 -0.738 1.00 0.14 C ATOM 1445 C GLY A 102 -15.093 -0.559 0.257 1.00 0.13 C ATOM 1446 O GLY A 102 -14.423 0.437 -0.012 1.00 0.14 O ATOM 0 H GLY A 102 -15.949 -3.189 -0.812 1.00 0.15 H new ATOM 0 HA2 GLY A 102 -15.664 -1.089 -1.736 1.00 0.14 H new ATOM 0 HA3 GLY A 102 -16.971 -0.443 -0.763 1.00 0.14 H new ATOM 1450 N THR A 103 -14.984 -1.214 1.410 1.00 0.14 N ATOM 1451 CA THR A 103 -14.049 -0.788 2.445 1.00 0.14 C ATOM 1452 C THR A 103 -12.669 -1.394 2.214 1.00 0.13 C ATOM 1453 O THR A 103 -12.547 -2.524 1.742 1.00 0.13 O ATOM 1454 CB THR A 103 -14.569 -1.186 3.827 1.00 0.17 C ATOM 1455 OG1 THR A 103 -15.878 -0.685 4.034 1.00 0.22 O ATOM 1456 CG2 THR A 103 -13.701 -0.683 4.960 1.00 0.21 C ATOM 0 H THR A 103 -15.531 -2.041 1.650 1.00 0.14 H new ATOM 0 HA THR A 103 -13.962 0.297 2.396 1.00 0.14 H new ATOM 0 HB THR A 103 -14.557 -2.276 3.837 1.00 0.17 H new ATOM 0 HG1 THR A 103 -16.194 -0.952 4.923 1.00 0.22 H new ATOM 0 HG21 THR A 103 -14.126 -1.000 5.912 1.00 0.21 H new ATOM 0 HG22 THR A 103 -12.696 -1.092 4.857 1.00 0.21 H new ATOM 0 HG23 THR A 103 -13.655 0.406 4.928 1.00 0.21 H new ATOM 1464 N LEU A 104 -11.632 -0.634 2.551 1.00 0.12 N ATOM 1465 CA LEU A 104 -10.259 -1.094 2.381 1.00 0.12 C ATOM 1466 C LEU A 104 -9.908 -2.154 3.420 1.00 0.12 C ATOM 1467 O LEU A 104 -10.107 -1.954 4.618 1.00 0.15 O ATOM 1468 CB LEU A 104 -9.290 0.088 2.484 1.00 0.13 C ATOM 1469 CG LEU A 104 -8.629 0.502 1.168 1.00 0.14 C ATOM 1470 CD1 LEU A 104 -7.683 -0.586 0.681 1.00 0.23 C ATOM 1471 CD2 LEU A 104 -9.683 0.808 0.113 1.00 0.20 C ATOM 0 H LEU A 104 -11.717 0.304 2.944 1.00 0.12 H new ATOM 0 HA LEU A 104 -10.169 -1.542 1.392 1.00 0.12 H new ATOM 0 HB2 LEU A 104 -9.829 0.945 2.887 1.00 0.13 H new ATOM 0 HB3 LEU A 104 -8.509 -0.164 3.201 1.00 0.13 H new ATOM 0 HG LEU A 104 -8.049 1.408 1.344 1.00 0.14 H new ATOM 0 HD11 LEU A 104 -7.222 -0.274 -0.256 1.00 0.23 H new ATOM 0 HD12 LEU A 104 -6.908 -0.755 1.428 1.00 0.23 H new ATOM 0 HD13 LEU A 104 -8.241 -1.509 0.522 1.00 0.23 H new ATOM 0 HD21 LEU A 104 -9.194 1.101 -0.816 1.00 0.20 H new ATOM 0 HD22 LEU A 104 -10.292 -0.079 -0.061 1.00 0.20 H new ATOM 0 HD23 LEU A 104 -10.319 1.622 0.460 1.00 0.20 H new ATOM 1483 N ILE A 105 -9.383 -3.283 2.953 1.00 0.12 N ATOM 1484 CA ILE A 105 -9.003 -4.374 3.842 1.00 0.12 C ATOM 1485 C ILE A 105 -7.636 -4.936 3.469 1.00 0.12 C ATOM 1486 O ILE A 105 -7.101 -4.636 2.402 1.00 0.12 O ATOM 1487 CB ILE A 105 -10.041 -5.513 3.811 1.00 0.14 C ATOM 1488 CG1 ILE A 105 -10.182 -6.069 2.393 1.00 0.13 C ATOM 1489 CG2 ILE A 105 -11.384 -5.020 4.329 1.00 0.16 C ATOM 1490 CD1 ILE A 105 -10.325 -7.574 2.346 1.00 0.15 C ATOM 0 H ILE A 105 -9.211 -3.465 1.964 1.00 0.12 H new ATOM 0 HA ILE A 105 -8.960 -3.960 4.849 1.00 0.12 H new ATOM 0 HB ILE A 105 -9.695 -6.316 4.461 1.00 0.14 H new ATOM 0 HG12 ILE A 105 -11.051 -5.614 1.918 1.00 0.13 H new ATOM 0 HG13 ILE A 105 -9.310 -5.776 1.808 1.00 0.13 H new ATOM 0 HG21 ILE A 105 -12.106 -5.836 4.301 1.00 0.16 H new ATOM 0 HG22 ILE A 105 -11.272 -4.670 5.355 1.00 0.16 H new ATOM 0 HG23 ILE A 105 -11.737 -4.201 3.703 1.00 0.16 H new ATOM 0 HD11 ILE A 105 -10.420 -7.898 1.310 1.00 0.15 H new ATOM 0 HD12 ILE A 105 -9.445 -8.037 2.792 1.00 0.15 H new ATOM 0 HD13 ILE A 105 -11.213 -7.873 2.903 1.00 0.15 H new ATOM 1502 N PHE A 106 -7.075 -5.751 4.356 1.00 0.13 N ATOM 1503 CA PHE A 106 -5.770 -6.354 4.123 1.00 0.14 C ATOM 1504 C PHE A 106 -5.878 -7.878 4.096 1.00 0.16 C ATOM 1505 O PHE A 106 -6.588 -8.474 4.905 1.00 0.19 O ATOM 1506 CB PHE A 106 -4.783 -5.902 5.206 1.00 0.17 C ATOM 1507 CG PHE A 106 -3.633 -6.845 5.418 1.00 0.18 C ATOM 1508 CD1 PHE A 106 -3.741 -7.891 6.317 1.00 1.18 C ATOM 1509 CD2 PHE A 106 -2.448 -6.685 4.718 1.00 1.23 C ATOM 1510 CE1 PHE A 106 -2.689 -8.764 6.516 1.00 1.19 C ATOM 1511 CE2 PHE A 106 -1.392 -7.554 4.912 1.00 1.23 C ATOM 1512 CZ PHE A 106 -1.512 -8.595 5.813 1.00 0.22 C ATOM 0 H PHE A 106 -7.505 -6.009 5.244 1.00 0.13 H new ATOM 0 HA PHE A 106 -5.400 -6.024 3.152 1.00 0.14 H new ATOM 0 HB2 PHE A 106 -4.390 -4.921 4.938 1.00 0.17 H new ATOM 0 HB3 PHE A 106 -5.321 -5.784 6.147 1.00 0.17 H new ATOM 0 HD1 PHE A 106 -4.659 -8.027 6.870 1.00 1.18 H new ATOM 0 HD2 PHE A 106 -2.349 -5.872 4.013 1.00 1.23 H new ATOM 0 HE1 PHE A 106 -2.787 -9.577 7.220 1.00 1.19 H new ATOM 0 HE2 PHE A 106 -0.473 -7.420 4.360 1.00 1.23 H new ATOM 0 HZ PHE A 106 -0.687 -9.275 5.967 1.00 0.22 H new ATOM 1522 N LEU A 107 -5.169 -8.500 3.159 1.00 0.16 N ATOM 1523 CA LEU A 107 -5.186 -9.952 3.026 1.00 0.20 C ATOM 1524 C LEU A 107 -4.507 -10.615 4.220 1.00 0.23 C ATOM 1525 O LEU A 107 -3.283 -10.586 4.346 1.00 0.25 O ATOM 1526 CB LEU A 107 -4.490 -10.372 1.730 1.00 0.21 C ATOM 1527 CG LEU A 107 -5.407 -10.487 0.511 1.00 0.25 C ATOM 1528 CD1 LEU A 107 -6.179 -9.193 0.300 1.00 1.22 C ATOM 1529 CD2 LEU A 107 -4.600 -10.837 -0.731 1.00 1.29 C ATOM 0 H LEU A 107 -4.576 -8.021 2.481 1.00 0.16 H new ATOM 0 HA LEU A 107 -6.225 -10.279 2.995 1.00 0.20 H new ATOM 0 HB2 LEU A 107 -3.704 -9.651 1.507 1.00 0.21 H new ATOM 0 HB3 LEU A 107 -4.004 -11.334 1.892 1.00 0.21 H new ATOM 0 HG LEU A 107 -6.124 -11.288 0.693 1.00 0.25 H new ATOM 0 HD11 LEU A 107 -6.826 -9.293 -0.571 1.00 1.22 H new ATOM 0 HD12 LEU A 107 -6.786 -8.984 1.181 1.00 1.22 H new ATOM 0 HD13 LEU A 107 -5.479 -8.373 0.139 1.00 1.22 H new ATOM 0 HD21 LEU A 107 -5.268 -10.915 -1.589 1.00 1.29 H new ATOM 0 HD22 LEU A 107 -3.861 -10.058 -0.916 1.00 1.29 H new ATOM 0 HD23 LEU A 107 -4.092 -11.790 -0.579 1.00 1.29 H new ATOM 1541 N ALA A 108 -5.310 -11.212 5.094 1.00 0.25 N ATOM 1542 CA ALA A 108 -4.788 -11.883 6.279 1.00 0.29 C ATOM 1543 C ALA A 108 -5.246 -13.336 6.333 1.00 0.32 C ATOM 1544 O ALA A 108 -6.454 -13.567 6.552 1.00 1.05 O ATOM 1545 CB ALA A 108 -5.220 -11.145 7.537 1.00 0.31 C ATOM 1546 OXT ALA A 108 -4.394 -14.232 6.155 1.00 1.17 O ATOM 0 H ALA A 108 -6.325 -11.245 5.004 1.00 0.25 H new ATOM 0 HA ALA A 108 -3.700 -11.874 6.221 1.00 0.29 H new ATOM 0 HB1 ALA A 108 -4.823 -11.657 8.414 1.00 0.31 H new ATOM 0 HB2 ALA A 108 -4.838 -10.124 7.509 1.00 0.31 H new ATOM 0 HB3 ALA A 108 -6.308 -11.124 7.591 1.00 0.31 H new